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 2x3k_1_A DATA FIRST_RESID 7 DATA SEQUENCE DVLSRMISEK AALHGLLNCL IKEFAIPEGY LRYEWPDEMK GIPPGAYFDG DATA SEQUENCE ADWKGIPMMI GLPDQLQLFV MVDRRDTFGS QHYLSDVYLR QAXGDWQCPD DATA SEQUENCE FEPLVARLLA ACEHIAGRKN PELYEQILQS QRLVSAIVSH NGRQRADAPL DATA SEQUENCE QHYLQSEQGL WFGHPSHPAP KARLWPAHLG QEQWAPEFQA RAALHQFEVP DATA SEQUENCE VDGLHIGANG LTPQQVLDGF ADQQPASPGH AIICMHPVQA QLFMQDARVQ DATA SEQUENCE QLLRDNVIRD LGQSGRVASP TASIRTWFID DHDYFIKGSL NVRITNCVRK DATA SEQUENCE NAWYELESTV LIDRLFRQLL DQHADTLGGL VAAAEPGVVS WSPAAAGELD DATA SEQUENCE SHWFREQTGG ILRENFCRRT GAERSIMAGT LFARGVDLQP MIQTFLRTHY DATA SEQUENCE GEALDDNALL YWFDDYQTRL LRPVLSLFFN HGVVMEPHLQ NSVLVHQQGR DATA SEQUENCE PQQVLLRDFE GVKLTDDLGI RYIDDDIHPR VRQSLLYSRE QGWNRIMYCL DATA SEQUENCE FINHLSETIL ALSQGRPQLA PLMWRRVQQQ LRAIQGELKQ PSPELDALIA DATA SEQUENCE GHPVACKTNL KVRLAAXXXX XASYVRLPSP W 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.288 176.300 -0.021 0.000 2.045 7 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 7 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 8 V N 1.625 121.529 119.914 -0.016 0.000 2.358 8 V HA -0.090 4.032 4.120 0.004 0.000 0.246 8 V C 2.497 178.578 176.094 -0.021 0.000 1.047 8 V CA 1.439 63.729 62.300 -0.016 0.000 1.035 8 V CB -0.335 31.482 31.823 -0.009 0.000 0.658 8 V HN 0.148 nan 8.190 nan 0.000 0.452 9 L N 0.123 121.334 121.223 -0.019 0.000 2.046 9 L HA -0.129 4.214 4.340 0.004 0.000 0.208 9 L C 2.541 179.395 176.870 -0.027 0.000 1.077 9 L CA 2.036 56.864 54.840 -0.020 0.000 0.747 9 L CB -0.503 41.545 42.059 -0.017 0.000 0.896 9 L HN 0.258 nan 8.230 nan 0.000 0.432 10 S N -0.679 115.001 115.700 -0.034 0.000 2.382 10 S HA -0.216 4.257 4.470 0.004 0.000 0.228 10 S C 2.029 176.605 174.600 -0.041 0.000 1.027 10 S CA 1.456 59.631 58.200 -0.041 0.000 0.991 10 S CB -0.383 62.786 63.200 -0.052 0.000 0.823 10 S HN 0.477 nan 8.310 nan 0.000 0.469 11 R N 0.977 121.448 120.500 -0.048 0.000 2.073 11 R HA 0.006 4.349 4.340 0.004 0.000 0.234 11 R C 2.318 178.558 176.300 -0.100 0.000 1.134 11 R CA 1.524 57.580 56.100 -0.074 0.000 0.952 11 R CB -0.308 29.953 30.300 -0.064 0.000 0.850 11 R HN 0.338 nan 8.270 nan 0.000 0.433 12 M N 0.246 119.803 119.600 -0.071 0.000 2.117 12 M HA -0.147 4.335 4.480 0.004 0.000 0.262 12 M C 2.215 178.468 176.300 -0.078 0.000 1.065 12 M CA 1.625 56.882 55.300 -0.073 0.000 1.114 12 M CB -0.213 32.364 32.600 -0.039 0.000 1.361 12 M HN 0.200 nan 8.290 nan 0.000 0.408 13 I N -0.036 120.507 120.570 -0.045 0.000 2.194 13 I HA -0.334 3.838 4.170 0.004 0.000 0.246 13 I C 2.683 178.780 176.117 -0.033 0.000 1.093 13 I CA 1.787 63.074 61.300 -0.022 0.000 1.355 13 I CB -0.549 37.478 38.000 0.045 0.000 1.046 13 I HN 0.387 nan 8.210 nan 0.000 0.413 14 S N 0.194 115.878 115.700 -0.026 0.000 2.387 14 S HA -0.138 4.335 4.470 0.004 0.000 0.226 14 S C 1.784 176.250 174.600 -0.224 0.000 1.026 14 S CA 0.861 59.041 58.200 -0.032 0.000 0.972 14 S CB -0.441 62.734 63.200 -0.041 0.000 0.814 14 S HN 0.498 nan 8.310 nan 0.000 0.477 15 E N 1.493 121.486 120.200 -0.346 0.000 2.072 15 E HA -0.124 4.228 4.350 0.004 0.000 0.191 15 E C 2.135 178.606 176.600 -0.216 0.000 0.985 15 E CA 1.041 57.108 56.400 -0.555 0.000 0.801 15 E CB -0.185 29.236 29.700 -0.466 0.000 0.750 15 E HN 0.592 nan 8.360 nan 0.000 0.452 16 K N 0.854 121.128 120.400 -0.211 0.000 2.032 16 K HA -0.167 4.155 4.320 0.004 0.000 0.209 16 K C 2.187 178.472 176.600 -0.524 0.000 1.048 16 K CA 1.245 57.325 56.287 -0.345 0.000 0.927 16 K CB -0.123 32.188 32.500 -0.315 0.000 0.712 16 K HN 0.079 nan 8.250 nan 0.000 0.441 17 A N 0.841 123.437 122.820 -0.373 0.000 1.902 17 A HA -0.137 4.185 4.320 0.004 0.000 0.217 17 A C 2.288 179.810 177.584 -0.104 0.000 1.181 17 A CA 2.016 53.833 52.037 -0.366 0.000 0.623 17 A CB -0.800 17.841 19.000 -0.599 0.000 0.818 17 A HN 0.474 nan 8.150 nan 0.000 0.443 18 A N -0.727 122.097 122.820 0.007 0.000 1.897 18 A HA 0.058 4.380 4.320 0.004 0.000 0.215 18 A C 2.109 179.831 177.584 0.230 0.000 1.181 18 A CA 1.585 53.730 52.037 0.180 0.000 0.620 18 A CB -0.595 18.570 19.000 0.274 0.000 0.821 18 A HN 0.674 nan 8.150 nan 0.000 0.443 19 L N -0.570 120.800 121.223 0.245 0.000 2.042 19 L HA -0.188 4.154 4.340 0.004 0.000 0.210 19 L C 2.282 179.216 176.870 0.107 0.000 1.076 19 L CA 2.336 57.267 54.840 0.153 0.000 0.749 19 L CB -0.881 41.253 42.059 0.125 0.000 0.893 19 L HN 0.497 nan 8.230 nan 0.000 0.432 20 H N -0.411 118.647 119.070 -0.021 0.000 2.321 20 H HA -0.006 4.552 4.556 0.004 0.000 0.300 20 H C 2.168 177.544 175.328 0.081 0.000 1.087 20 H CA 1.101 57.135 56.048 -0.024 0.000 1.319 20 H CB -1.057 28.767 29.762 0.104 0.000 1.379 20 H HN 0.452 nan 8.280 nan 0.000 0.501 21 G N 0.548 109.484 108.800 0.226 0.000 2.442 21 G HA2 -0.221 3.741 3.960 0.004 0.000 0.219 21 G HA3 -0.221 3.741 3.960 0.004 0.000 0.219 21 G C 1.813 176.798 174.900 0.141 0.000 1.141 21 G CA 0.979 46.193 45.100 0.190 0.000 0.763 21 G HN 0.371 nan 8.290 nan 0.000 0.554 22 L N 0.040 121.328 121.223 0.110 0.000 2.131 22 L HA 0.289 4.631 4.340 0.004 0.000 0.206 22 L C 2.577 179.479 176.870 0.054 0.000 1.087 22 L CA 1.015 55.894 54.840 0.065 0.000 0.767 22 L CB -0.300 41.781 42.059 0.036 0.000 0.917 22 L HN 0.172 nan 8.230 nan 0.000 0.441 23 L N -0.313 120.926 121.223 0.026 0.000 2.046 23 L HA -0.236 4.107 4.340 0.004 0.000 0.208 23 L C 2.245 179.189 176.870 0.124 0.000 1.077 23 L CA 1.262 56.100 54.840 -0.004 0.000 0.747 23 L CB -0.597 41.299 42.059 -0.271 0.000 0.896 23 L HN 0.382 nan 8.230 nan 0.000 0.432 24 N N -0.534 118.277 118.700 0.185 0.000 2.104 24 N HA -0.198 4.544 4.740 0.004 0.000 0.190 24 N C 1.802 177.389 175.510 0.129 0.000 1.024 24 N CA 1.689 54.855 53.050 0.193 0.000 0.853 24 N CB -0.751 37.847 38.487 0.185 0.000 1.008 24 N HN 0.357 nan 8.380 nan 0.000 0.424 25 C N 0.272 119.632 119.300 0.100 0.000 2.425 25 C HA 0.020 4.482 4.460 0.004 0.000 0.277 25 C C 2.758 177.820 174.990 0.120 0.000 1.280 25 C CA 0.004 59.061 59.018 0.064 0.000 1.744 25 C CB -1.204 26.555 27.740 0.033 0.000 1.989 25 C HN 0.452 nan 8.230 nan 0.000 0.491 26 L N 0.211 121.534 121.223 0.167 0.000 2.027 26 L HA -0.087 4.255 4.340 0.004 0.000 0.206 26 L C 2.300 179.303 176.870 0.221 0.000 1.074 26 L CA 1.647 56.640 54.840 0.255 0.000 0.745 26 L CB -0.306 41.844 42.059 0.152 0.000 0.898 26 L HN 0.179 nan 8.230 nan 0.000 0.433 27 I N 0.231 120.893 120.570 0.153 0.000 2.142 27 I HA -0.328 3.844 4.170 0.004 0.000 0.240 27 I C 2.459 178.629 176.117 0.087 0.000 1.078 27 I CA 1.712 63.086 61.300 0.123 0.000 1.343 27 I CB -0.428 37.652 38.000 0.133 0.000 1.046 27 I HN 0.143 nan 8.210 nan 0.000 0.405 28 K N 0.049 120.490 120.400 0.069 0.000 2.097 28 K HA -0.118 4.204 4.320 0.004 0.000 0.205 28 K C 1.616 178.175 176.600 -0.068 0.000 1.050 28 K CA 1.413 57.710 56.287 0.017 0.000 0.938 28 K CB -0.117 32.394 32.500 0.018 0.000 0.718 28 K HN 0.438 nan 8.250 nan 0.000 0.442 29 E N -1.431 118.690 120.200 -0.132 0.000 2.489 29 E HA 0.101 4.454 4.350 0.004 0.000 0.204 29 E C 0.558 176.760 176.600 -0.664 0.000 1.006 29 E CA 0.142 56.294 56.400 -0.414 0.000 0.936 29 E CB 0.439 29.802 29.700 -0.561 0.000 1.002 29 E HN 0.165 nan 8.360 nan 0.000 0.488 30 F N -0.183 119.765 119.950 -0.003 0.000 1.965 30 F HA 0.305 4.834 4.527 0.004 0.000 0.237 30 F C 2.166 177.939 175.800 -0.046 0.000 1.132 30 F CA 0.117 58.125 58.000 0.013 0.000 1.272 30 F CB -0.546 38.518 39.000 0.106 0.000 1.657 30 F HN -0.051 nan 8.300 nan 0.000 0.525 31 A N 1.268 124.249 122.820 0.269 0.000 1.859 31 A HA -0.215 4.108 4.320 0.004 0.000 0.218 31 A C 2.081 179.651 177.584 -0.023 0.000 1.209 31 A CA 2.456 54.588 52.037 0.159 0.000 0.639 31 A CB -1.322 17.778 19.000 0.167 0.000 0.835 31 A HN 0.402 nan 8.150 nan 0.000 0.450 32 I N 0.372 120.938 120.570 -0.007 0.000 2.113 32 I HA -0.166 4.006 4.170 0.004 0.000 0.238 32 I C -0.314 175.754 176.117 -0.081 0.000 1.070 32 I CA 1.727 63.006 61.300 -0.034 0.000 1.332 32 I CB -1.147 36.856 38.000 0.006 0.000 1.044 32 I HN 0.299 nan 8.210 nan 0.000 0.402 33 P HA -0.163 nan 4.420 nan 0.000 0.218 33 P C 0.998 178.202 177.300 -0.159 0.000 1.149 33 P CA 1.585 64.622 63.100 -0.105 0.000 0.817 33 P CB -0.099 31.537 31.700 -0.105 0.000 0.785 34 E N -1.325 118.709 120.200 -0.276 0.000 2.474 34 E HA 0.234 4.587 4.350 0.004 0.000 0.195 34 E C 0.715 176.956 176.600 -0.597 0.000 1.039 34 E CA 0.220 56.348 56.400 -0.454 0.000 0.881 34 E CB -0.190 29.135 29.700 -0.625 0.000 0.970 34 E HN 0.184 nan 8.360 nan 0.000 0.486 35 G N 1.394 109.955 108.800 -0.398 0.000 2.212 35 G HA2 -0.262 3.700 3.960 0.004 0.000 0.255 35 G HA3 -0.262 3.700 3.960 0.004 0.000 0.255 35 G C 0.084 174.940 174.900 -0.074 0.000 1.062 35 G CA 0.017 44.997 45.100 -0.200 0.000 0.815 35 G HN 0.244 nan 8.290 nan 0.000 0.497 36 Y N -1.145 119.157 120.300 0.003 0.000 2.466 36 Y HA 0.482 5.034 4.550 0.004 0.000 0.272 36 Y C 1.573 177.450 175.900 -0.037 0.000 1.169 36 Y CA -0.744 57.351 58.100 -0.008 0.000 1.285 36 Y CB 0.200 38.664 38.460 0.007 0.000 1.078 36 Y HN 0.448 nan 8.280 nan 0.000 0.523 37 L N 1.376 122.629 121.223 0.051 0.000 2.309 37 L HA 0.572 4.914 4.340 0.004 0.000 0.282 37 L C -0.517 176.260 176.870 -0.156 0.000 1.036 37 L CA -0.411 54.382 54.840 -0.079 0.000 0.806 37 L CB 0.893 42.873 42.059 -0.132 0.000 1.220 37 L HN -0.048 nan 8.230 nan 0.000 0.429 38 R N 3.810 124.166 120.500 -0.240 0.000 2.698 38 R HA 0.310 4.652 4.340 0.004 0.000 0.275 38 R C -1.807 174.257 176.300 -0.394 0.000 1.001 38 R CA -0.771 55.190 56.100 -0.231 0.000 0.896 38 R CB 1.775 32.036 30.300 -0.065 0.000 1.218 38 R HN 0.480 nan 8.270 nan 0.000 0.462 39 Y N 1.299 121.566 120.300 -0.056 0.000 2.676 39 Y HA 0.286 4.838 4.550 0.004 0.000 0.338 39 Y C 0.250 176.066 175.900 -0.140 0.000 1.057 39 Y CA -0.081 57.951 58.100 -0.114 0.000 1.314 39 Y CB 0.807 39.203 38.460 -0.107 0.000 1.164 39 Y HN 0.509 nan 8.280 nan 0.000 0.509 40 E N 2.276 122.417 120.200 -0.097 0.000 2.478 40 E HA 0.132 4.484 4.350 0.004 0.000 0.293 40 E C -1.761 174.768 176.600 -0.118 0.000 1.011 40 E CA -0.775 55.571 56.400 -0.090 0.000 0.834 40 E CB 0.947 30.651 29.700 0.007 0.000 1.226 40 E HN 0.507 nan 8.360 nan 0.000 0.419 41 W N 3.647 124.930 121.300 -0.030 0.000 2.158 41 W HA 0.254 4.917 4.660 0.005 0.000 0.339 41 W C -1.784 174.679 176.519 -0.092 0.000 1.294 41 W CA -0.943 56.340 57.345 -0.103 0.000 1.231 41 W CB 0.037 29.366 29.460 -0.217 0.000 1.143 41 W HN 0.396 nan 8.180 nan 0.000 0.571 42 P HA -0.041 nan 4.420 nan 0.000 0.271 42 P C -0.287 177.053 177.300 0.066 0.000 1.233 42 P CA 0.226 63.379 63.100 0.088 0.000 0.789 42 P CB 0.692 32.390 31.700 -0.003 0.000 0.951 43 D N -1.000 119.448 120.400 0.080 0.000 2.340 43 D HA 0.043 4.686 4.640 0.004 0.000 0.220 43 D C 0.167 176.478 176.300 0.018 0.000 1.039 43 D CA 0.820 54.842 54.000 0.036 0.000 0.866 43 D CB 0.140 40.961 40.800 0.035 0.000 0.913 43 D HN 0.312 nan 8.370 nan 0.000 0.523 44 E N 0.101 120.337 120.200 0.059 0.000 2.287 44 E HA 0.203 4.555 4.350 0.004 0.000 0.274 44 E C -0.311 176.356 176.600 0.112 0.000 0.896 44 E CA -0.341 56.098 56.400 0.064 0.000 0.788 44 E CB 0.968 30.714 29.700 0.077 0.000 1.244 44 E HN -0.234 nan 8.360 nan 0.000 0.408 45 M N 2.213 121.783 119.600 -0.050 0.000 2.382 45 M HA 0.208 4.690 4.480 0.004 0.000 0.247 45 M C 0.444 176.710 176.300 -0.056 0.000 1.104 45 M CA -0.047 55.113 55.300 -0.232 0.000 1.030 45 M CB -0.540 31.821 32.600 -0.398 0.000 1.424 45 M HN 0.380 nan 8.290 nan 0.000 0.486 46 K N 1.247 121.696 120.400 0.082 0.000 2.491 46 K HA 0.154 4.476 4.320 0.004 0.000 0.279 46 K C 1.149 177.854 176.600 0.174 0.000 1.026 46 K CA 1.442 57.787 56.287 0.096 0.000 1.070 46 K CB 0.202 32.746 32.500 0.073 0.000 0.887 46 K HN 0.439 nan 8.250 nan 0.000 0.481 47 G N 3.873 112.747 108.800 0.123 0.000 2.349 47 G HA2 -0.241 3.721 3.960 0.004 0.000 0.213 47 G HA3 -0.241 3.721 3.960 0.004 0.000 0.213 47 G C 0.143 175.114 174.900 0.118 0.000 1.044 47 G CA -0.049 45.153 45.100 0.170 0.000 0.633 47 G HN 0.593 nan 8.290 nan 0.000 0.506 48 I N 4.775 125.296 120.570 -0.082 0.000 2.452 48 I HA 0.288 4.460 4.170 0.004 0.000 0.287 48 I C -1.360 174.736 176.117 -0.036 0.000 1.079 48 I CA -1.658 59.422 61.300 -0.366 0.000 1.387 48 I CB 0.835 38.379 38.000 -0.761 0.000 1.404 48 I HN 0.079 nan 8.210 nan 0.000 0.522 49 P HA 0.184 nan 4.420 nan 0.000 0.271 49 P C -2.326 175.039 177.300 0.109 0.000 1.218 49 P CA -1.450 61.718 63.100 0.114 0.000 0.780 49 P CB 0.472 32.255 31.700 0.138 0.000 0.901 50 P HA -0.147 nan 4.420 nan 0.000 0.216 50 P C 1.677 178.825 177.300 -0.253 0.000 1.150 50 P CA 1.903 64.852 63.100 -0.252 0.000 0.837 50 P CB -0.468 31.200 31.700 -0.053 0.000 0.786 51 G N -0.176 108.612 108.800 -0.020 0.000 2.498 51 G HA2 -0.188 3.774 3.960 0.004 0.000 0.219 51 G HA3 -0.188 3.774 3.960 0.004 0.000 0.219 51 G C 1.552 176.503 174.900 0.086 0.000 1.119 51 G CA 0.737 45.855 45.100 0.030 0.000 0.766 51 G HN 0.348 nan 8.290 nan 0.000 0.552 52 A N 0.147 123.059 122.820 0.154 0.000 2.066 52 A HA 0.187 4.510 4.320 0.004 0.000 0.218 52 A C 1.912 179.752 177.584 0.427 0.000 1.157 52 A CA 1.544 53.770 52.037 0.315 0.000 0.670 52 A CB -0.297 18.933 19.000 0.384 0.000 0.804 52 A HN 0.758 nan 8.150 nan 0.000 0.453 53 Y N -5.218 115.286 120.300 0.340 0.000 2.448 53 Y HA 0.595 5.147 4.550 0.004 0.000 0.257 53 Y C 0.055 176.331 175.900 0.626 0.000 1.089 53 Y CA -1.758 56.630 58.100 0.481 0.000 1.245 53 Y CB 0.000 38.822 38.460 0.603 0.000 1.282 53 Y HN 0.075 nan 8.280 nan 0.000 0.529 54 F N 3.617 123.567 119.950 0.001 0.000 2.518 54 F HA 0.458 4.986 4.527 0.002 0.000 0.323 54 F C 0.117 175.904 175.800 -0.023 0.000 1.129 54 F CA -1.650 56.366 58.000 0.025 0.000 0.920 54 F CB 1.530 40.453 39.000 -0.129 0.000 1.160 54 F HN 0.062 nan 8.300 nan 0.000 0.440 55 D N 2.382 122.445 120.400 -0.561 0.000 2.360 55 D HA 0.296 4.938 4.640 0.004 0.000 0.210 55 D C 1.431 177.303 176.300 -0.714 0.000 1.047 55 D CA 0.831 54.548 54.000 -0.473 0.000 0.854 55 D CB 0.654 41.326 40.800 -0.213 0.000 0.936 55 D HN 0.915 nan 8.370 nan 0.000 0.514 56 G N -0.307 107.606 108.800 -1.479 0.000 2.481 56 G HA2 -0.130 3.832 3.960 0.004 0.000 0.200 56 G HA3 -0.130 3.832 3.960 0.004 0.000 0.200 56 G C 1.106 175.671 174.900 -0.559 0.000 1.012 56 G CA 0.164 44.691 45.100 -0.954 0.000 0.676 56 G HN 0.763 nan 8.290 nan 0.000 0.488 57 A N -1.043 121.511 122.820 -0.443 0.000 2.138 57 A HA 0.601 4.923 4.320 0.004 0.000 0.203 57 A C 0.526 178.036 177.584 -0.123 0.000 1.286 57 A CA 1.720 53.657 52.037 -0.167 0.000 0.929 57 A CB 0.641 19.562 19.000 -0.131 0.000 0.975 57 A HN 0.439 nan 8.150 nan 0.000 0.480 58 D N -3.118 117.170 120.400 -0.186 0.000 2.692 58 D HA 0.305 4.948 4.640 0.004 0.000 0.290 58 D C -1.721 174.550 176.300 -0.049 0.000 1.281 58 D CA -0.540 53.345 54.000 -0.191 0.000 0.804 58 D CB 0.628 41.379 40.800 -0.081 0.000 1.331 58 D HN 0.217 nan 8.370 nan 0.000 0.432 59 W N 1.492 122.955 121.300 0.271 0.000 2.287 59 W HA 0.353 5.014 4.660 0.003 0.000 0.313 59 W C 0.842 177.503 176.519 0.238 0.000 1.267 59 W CA -0.701 56.859 57.345 0.359 0.000 1.201 59 W CB 0.520 30.285 29.460 0.508 0.000 1.196 59 W HN -0.033 nan 8.180 nan 0.000 0.536 60 K N 4.153 124.832 120.400 0.465 0.000 2.360 60 K HA 0.252 4.575 4.320 0.004 0.000 0.225 60 K C 0.833 177.577 176.600 0.241 0.000 1.246 60 K CA 0.495 56.944 56.287 0.269 0.000 1.198 60 K CB -0.730 31.905 32.500 0.225 0.000 1.348 60 K HN 0.806 nan 8.250 nan 0.000 0.232 61 G N 1.586 110.522 108.800 0.227 0.000 2.488 61 G HA2 -0.273 3.689 3.960 0.004 0.000 0.237 61 G HA3 -0.273 3.689 3.960 0.004 0.000 0.237 61 G C -0.561 174.409 174.900 0.117 0.000 1.209 61 G CA -0.785 44.400 45.100 0.140 0.000 0.929 61 G HN 0.359 nan 8.290 nan 0.000 0.578 62 I N 3.215 123.775 120.570 -0.017 0.000 2.509 62 I HA 0.436 4.608 4.170 0.004 0.000 0.293 62 I C -1.983 173.948 176.117 -0.309 0.000 1.020 62 I CA -2.240 58.974 61.300 -0.143 0.000 1.088 62 I CB 2.607 40.545 38.000 -0.103 0.000 1.267 62 I HN 0.330 nan 8.210 nan 0.000 0.430 63 P HA 0.051 nan 4.420 nan 0.000 0.267 63 P C -0.993 176.083 177.300 -0.373 0.000 1.209 63 P CA 0.003 62.670 63.100 -0.721 0.000 0.763 63 P CB 0.831 31.793 31.700 -1.229 0.000 0.816 64 M N 4.924 124.289 119.600 -0.391 0.000 2.383 64 M HA 0.540 5.023 4.480 0.004 0.000 0.325 64 M C -1.260 174.913 176.300 -0.211 0.000 1.092 64 M CA -0.999 54.147 55.300 -0.258 0.000 0.961 64 M CB 1.777 34.278 32.600 -0.164 0.000 1.672 64 M HN 0.328 nan 8.290 nan 0.000 0.438 65 M N 5.220 124.729 119.600 -0.152 0.000 2.378 65 M HA 0.580 5.062 4.480 0.004 0.000 0.289 65 M C -2.043 174.250 176.300 -0.011 0.000 1.136 65 M CA -0.425 54.872 55.300 -0.005 0.000 0.917 65 M CB 2.457 35.088 32.600 0.052 0.000 1.669 65 M HN 0.676 nan 8.290 nan 0.000 0.461 66 I N 2.929 123.535 120.570 0.061 0.000 2.478 66 I HA 0.454 4.626 4.170 0.004 0.000 0.287 66 I C 0.215 176.356 176.117 0.041 0.000 1.042 66 I CA -0.802 60.530 61.300 0.053 0.000 1.067 66 I CB 2.151 40.186 38.000 0.057 0.000 1.233 66 I HN 0.811 nan 8.210 nan 0.000 0.431 67 G N 7.351 116.162 108.800 0.018 0.000 2.356 67 G HA2 0.549 4.512 3.960 0.004 0.000 0.300 67 G HA3 0.549 4.512 3.960 0.004 0.000 0.300 67 G C -0.495 174.245 174.900 -0.266 0.000 1.107 67 G CA -0.331 44.722 45.100 -0.078 0.000 0.960 67 G HN 0.472 nan 8.290 nan 0.000 0.418 68 L N 4.989 126.051 121.223 -0.268 0.000 2.264 68 L HA 0.235 4.577 4.340 0.004 0.000 0.287 68 L C -1.261 175.358 176.870 -0.420 0.000 1.039 68 L CA -1.910 52.691 54.840 -0.398 0.000 0.829 68 L CB 2.412 44.310 42.059 -0.268 0.000 1.211 68 L HN 0.351 nan 8.230 nan 0.000 0.427 69 P HA -0.257 nan 4.420 nan 0.000 0.222 69 P C 0.565 177.611 177.300 -0.423 0.000 1.152 69 P CA 1.399 64.258 63.100 -0.402 0.000 0.838 69 P CB -0.090 31.413 31.700 -0.328 0.000 0.771 70 D N -1.610 118.474 120.400 -0.527 0.000 2.400 70 D HA -0.058 4.584 4.640 0.004 0.000 0.243 70 D C 0.602 176.726 176.300 -0.293 0.000 1.184 70 D CA -0.007 53.672 54.000 -0.535 0.000 0.853 70 D CB -0.208 40.224 40.800 -0.614 0.000 0.944 70 D HN 0.109 nan 8.370 nan 0.000 0.501 71 Q N -1.479 118.178 119.800 -0.238 0.000 2.311 71 Q HA -0.218 4.124 4.340 0.004 0.000 0.178 71 Q C 0.033 175.923 176.000 -0.183 0.000 0.596 71 Q CA 0.517 56.212 55.803 -0.180 0.000 1.377 71 Q CB -1.633 27.016 28.738 -0.148 0.000 1.372 71 Q HN 0.451 nan 8.270 nan 0.000 0.896 72 L N 2.037 123.143 121.223 -0.195 0.000 2.326 72 L HA 0.284 4.626 4.340 0.004 0.000 0.278 72 L C 0.131 176.913 176.870 -0.147 0.000 1.092 72 L CA 0.565 55.303 54.840 -0.168 0.000 0.810 72 L CB 0.916 42.881 42.059 -0.156 0.000 1.153 72 L HN 0.041 nan 8.230 nan 0.000 0.439 73 Q N 4.455 124.178 119.800 -0.128 0.000 2.413 73 Q HA 0.652 4.994 4.340 0.004 0.000 0.276 73 Q C -1.533 174.548 176.000 0.134 0.000 1.099 73 Q CA -0.688 55.096 55.803 -0.031 0.000 0.814 73 Q CB 2.943 31.642 28.738 -0.064 0.000 1.379 73 Q HN 0.667 nan 8.270 nan 0.000 0.436 74 L N 1.872 123.253 121.223 0.264 0.000 2.381 74 L HA 0.724 5.066 4.340 0.004 0.000 0.268 74 L C -1.852 175.274 176.870 0.426 0.000 0.997 74 L CA -0.862 54.197 54.840 0.365 0.000 0.818 74 L CB 1.408 43.565 42.059 0.162 0.000 1.310 74 L HN 0.729 nan 8.230 nan 0.000 0.416 75 F N 5.371 125.451 119.950 0.217 0.000 2.547 75 F HA 0.763 5.293 4.527 0.004 0.000 0.316 75 F C -1.676 174.141 175.800 0.029 0.000 1.121 75 F CA -0.556 57.416 58.000 -0.047 0.000 0.911 75 F CB 1.883 40.552 39.000 -0.550 0.000 1.179 75 F HN 0.257 nan 8.300 nan 0.000 0.443 76 V N 7.694 127.157 119.914 -0.752 0.000 2.852 76 V HA 0.405 4.527 4.120 0.004 0.000 0.300 76 V C -1.313 174.428 176.094 -0.587 0.000 1.205 76 V CA -0.801 61.202 62.300 -0.495 0.000 0.940 76 V CB 2.114 33.866 31.823 -0.118 0.000 1.047 76 V HN 0.772 nan 8.190 nan 0.000 0.429 77 M N 6.430 125.787 119.600 -0.406 0.000 2.185 77 M HA 0.496 4.979 4.480 0.004 0.000 0.357 77 M C -0.200 176.059 176.300 -0.067 0.000 1.260 77 M CA -0.023 55.132 55.300 -0.242 0.000 1.124 77 M CB 0.937 33.510 32.600 -0.044 0.000 1.600 77 M HN 0.725 nan 8.290 nan 0.000 0.467 78 V N 1.072 120.943 119.914 -0.071 0.000 3.074 78 V HA 0.564 4.686 4.120 0.004 0.000 0.314 78 V C 0.399 176.470 176.094 -0.039 0.000 1.117 78 V CA -0.770 61.499 62.300 -0.051 0.000 1.014 78 V CB 2.106 33.893 31.823 -0.061 0.000 1.057 78 V HN 0.866 nan 8.190 nan 0.000 0.438 79 D N 1.017 121.392 120.400 -0.042 0.000 2.349 79 D HA 0.088 4.730 4.640 0.004 0.000 0.215 79 D C 0.533 176.812 176.300 -0.036 0.000 1.016 79 D CA 0.383 54.377 54.000 -0.010 0.000 0.870 79 D CB 0.361 41.182 40.800 0.035 0.000 0.917 79 D HN 0.911 nan 8.370 nan 0.000 0.524 80 R N -1.556 118.898 120.500 -0.077 0.000 2.728 80 R HA 0.443 4.785 4.340 0.004 0.000 0.274 80 R C -1.379 174.801 176.300 -0.200 0.000 1.032 80 R CA -0.939 55.090 56.100 -0.118 0.000 0.866 80 R CB 0.944 31.195 30.300 -0.082 0.000 1.263 80 R HN -0.245 nan 8.270 nan 0.000 0.475 81 R N 0.762 121.071 120.500 -0.318 0.000 2.297 81 R HA 0.319 4.662 4.340 0.004 0.000 0.308 81 R C -1.255 174.912 176.300 -0.221 0.000 1.029 81 R CA -0.497 55.308 56.100 -0.492 0.000 0.929 81 R CB 1.226 31.103 30.300 -0.706 0.000 1.046 81 R HN 0.663 nan 8.270 nan 0.000 0.461 82 D N 0.222 120.558 120.400 -0.107 0.000 2.970 82 D HA 0.042 4.684 4.640 0.004 0.000 0.230 82 D C 0.800 177.060 176.300 -0.067 0.000 1.276 82 D CA -0.385 53.561 54.000 -0.091 0.000 0.910 82 D CB 1.539 42.314 40.800 -0.041 0.000 1.590 82 D HN 0.519 nan 8.370 nan 0.000 0.551 83 T N 0.780 115.203 114.554 -0.218 0.000 2.881 83 T HA -0.129 4.223 4.350 0.004 0.000 0.270 83 T C 1.293 176.014 174.700 0.035 0.000 1.068 83 T CA 0.879 62.855 62.100 -0.205 0.000 1.131 83 T CB -0.199 68.367 68.868 -0.504 0.000 0.871 83 T HN 0.314 nan 8.240 nan 0.000 0.479 84 F N 1.579 121.468 119.950 -0.101 0.000 2.727 84 F HA 0.506 5.036 4.527 0.004 0.000 0.302 84 F C 2.010 177.807 175.800 -0.005 0.000 1.097 84 F CA -1.118 56.848 58.000 -0.056 0.000 1.330 84 F CB -0.555 38.423 39.000 -0.036 0.000 1.084 84 F HN 0.412 nan 8.300 nan 0.000 0.578 85 G N 0.578 109.479 108.800 0.169 0.000 2.160 85 G HA2 -0.254 3.708 3.960 0.004 0.000 0.244 85 G HA3 -0.254 3.708 3.960 0.004 0.000 0.244 85 G C 0.159 175.096 174.900 0.060 0.000 1.022 85 G CA 0.305 45.470 45.100 0.109 0.000 0.741 85 G HN 0.232 nan 8.290 nan 0.000 0.508 86 S N 1.523 117.255 115.700 0.053 0.000 2.404 86 S HA 0.615 5.087 4.470 0.004 0.000 0.309 86 S C 0.123 174.632 174.600 -0.152 0.000 1.076 86 S CA -0.195 57.986 58.200 -0.031 0.000 1.095 86 S CB 1.155 64.397 63.200 0.069 0.000 0.972 86 S HN 0.810 nan 8.310 nan 0.000 0.484 87 Q N 2.494 122.091 119.800 -0.338 0.000 2.482 87 Q HA 0.335 4.677 4.340 0.004 0.000 0.286 87 Q C -1.589 173.998 176.000 -0.688 0.000 1.007 87 Q CA -0.900 54.653 55.803 -0.418 0.000 0.801 87 Q CB 0.805 29.338 28.738 -0.342 0.000 1.455 87 Q HN 0.538 nan 8.270 nan 0.000 0.398 88 H N 1.493 120.350 119.070 -0.355 0.000 2.620 88 H HA 0.285 4.844 4.556 0.004 0.000 0.313 88 H C -0.755 174.342 175.328 -0.386 0.000 1.075 88 H CA -0.037 55.811 56.048 -0.334 0.000 1.397 88 H CB 0.362 30.040 29.762 -0.140 0.000 1.446 88 H HN 0.445 nan 8.280 nan 0.000 0.493 89 Y N 2.711 122.931 120.300 -0.134 0.000 2.365 89 Y HA 0.078 4.630 4.550 0.004 0.000 0.340 89 Y C 1.177 177.067 175.900 -0.016 0.000 1.016 89 Y CA -0.484 57.531 58.100 -0.141 0.000 1.196 89 Y CB 0.613 38.881 38.460 -0.319 0.000 1.167 89 Y HN 0.461 nan 8.280 nan 0.000 0.509 90 L N 2.736 124.048 121.223 0.147 0.000 2.700 90 L HA 0.253 4.595 4.340 0.004 0.000 0.234 90 L C 0.316 177.281 176.870 0.158 0.000 1.156 90 L CA -0.122 54.798 54.840 0.135 0.000 0.946 90 L CB -0.281 41.838 42.059 0.100 0.000 1.216 90 L HN 0.622 nan 8.230 nan 0.000 0.493 91 S N -3.293 112.512 115.700 0.175 0.000 2.638 91 S HA 0.463 4.935 4.470 0.004 0.000 0.274 91 S C -0.897 173.825 174.600 0.204 0.000 1.157 91 S CA -1.065 57.260 58.200 0.209 0.000 0.826 91 S CB 1.954 65.304 63.200 0.249 0.000 1.139 91 S HN -0.077 nan 8.310 nan 0.000 0.474 92 D N 0.505 121.035 120.400 0.217 0.000 2.354 92 D HA 0.316 4.958 4.640 0.004 0.000 0.238 92 D C -0.092 176.249 176.300 0.068 0.000 1.250 92 D CA -0.004 54.057 54.000 0.101 0.000 0.911 92 D CB 0.462 41.264 40.800 0.002 0.000 1.163 92 D HN 0.385 nan 8.370 nan 0.000 0.456 93 V N 1.112 120.981 119.914 -0.076 0.000 2.481 93 V HA 0.218 4.340 4.120 0.004 0.000 0.286 93 V C -0.661 175.319 176.094 -0.189 0.000 1.042 93 V CA -0.382 61.899 62.300 -0.032 0.000 0.928 93 V CB 0.676 32.478 31.823 -0.034 0.000 0.986 93 V HN 0.340 nan 8.190 nan 0.000 0.462 94 Y N 4.605 125.037 120.300 0.219 0.000 2.429 94 Y HA 0.748 5.300 4.550 0.003 0.000 0.342 94 Y C -0.063 176.109 175.900 0.454 0.000 1.004 94 Y CA -0.666 57.632 58.100 0.331 0.000 1.075 94 Y CB 1.858 40.514 38.460 0.325 0.000 1.214 94 Y HN 0.374 nan 8.280 nan 0.000 0.455 95 L N 3.581 125.126 121.223 0.536 0.000 2.393 95 L HA 0.769 5.111 4.340 0.004 0.000 0.260 95 L C -1.003 175.931 176.870 0.106 0.000 1.002 95 L CA -1.119 53.912 54.840 0.319 0.000 0.818 95 L CB 2.927 45.057 42.059 0.119 0.000 1.369 95 L HN 0.687 nan 8.230 nan 0.000 0.412 96 R N 0.575 120.942 120.500 -0.222 0.000 2.643 96 R HA 0.501 4.843 4.340 0.004 0.000 0.269 96 R C -0.997 175.101 176.300 -0.337 0.000 1.037 96 R CA -0.782 55.060 56.100 -0.429 0.000 0.894 96 R CB 2.002 31.690 30.300 -1.019 0.000 1.238 96 R HN 0.424 nan 8.270 nan 0.000 0.459 97 Q N 1.099 120.745 119.800 -0.256 0.000 1.900 97 Q HA 0.446 4.789 4.340 0.004 0.000 0.322 97 Q C 0.251 176.131 176.000 -0.200 0.000 0.959 97 Q CA 0.805 56.490 55.803 -0.196 0.000 0.866 97 Q CB 0.158 28.812 28.738 -0.140 0.000 1.196 97 Q HN 0.742 nan 8.270 nan 0.000 0.458 101 D N 0.623 120.956 120.400 -0.112 0.000 2.368 101 D HA 0.269 4.911 4.640 0.004 0.000 0.240 101 D C 0.386 176.641 176.300 -0.075 0.000 1.169 101 D CA 0.423 54.385 54.000 -0.064 0.000 0.906 101 D CB 0.728 41.550 40.800 0.037 0.000 1.187 101 D HN 0.395 nan 8.370 nan 0.000 0.435 102 W N 0.566 121.877 121.300 0.018 0.000 2.126 102 W HA 0.263 4.925 4.660 0.003 0.000 0.346 102 W C 0.770 177.389 176.519 0.167 0.000 1.279 102 W CA -0.144 57.251 57.345 0.083 0.000 1.259 102 W CB 0.293 29.773 29.460 0.033 0.000 1.133 102 W HN 0.231 nan 8.180 nan 0.000 0.592 103 Q N 0.823 120.933 119.800 0.517 0.000 2.590 103 Q HA 0.583 4.926 4.340 0.004 0.000 0.295 103 Q C -1.767 174.384 176.000 0.252 0.000 0.973 103 Q CA -1.187 54.832 55.803 0.359 0.000 0.768 103 Q CB 1.875 30.718 28.738 0.175 0.000 1.479 103 Q HN 0.450 nan 8.270 nan 0.000 0.419 104 C N 2.075 121.407 119.300 0.054 0.000 2.534 104 C HA 0.614 5.076 4.460 0.004 0.000 0.309 104 C C -2.481 172.468 174.990 -0.069 0.000 1.072 104 C CA -1.268 57.629 59.018 -0.203 0.000 1.441 104 C CB -0.301 27.141 27.740 -0.497 0.000 1.906 104 C HN 0.660 nan 8.230 nan 0.000 0.429 105 P HA 0.319 nan 4.420 nan 0.000 0.274 105 P C -0.176 177.127 177.300 0.004 0.000 1.237 105 P CA 0.031 63.128 63.100 -0.005 0.000 0.793 105 P CB 0.673 32.369 31.700 -0.008 0.000 0.977 106 D N 0.005 120.426 120.400 0.034 0.000 2.335 106 D HA -0.077 4.566 4.640 0.004 0.000 0.236 106 D C 1.044 177.408 176.300 0.107 0.000 1.297 106 D CA -0.076 53.970 54.000 0.076 0.000 0.906 106 D CB 0.102 40.952 40.800 0.084 0.000 1.164 106 D HN 0.299 nan 8.370 nan 0.000 0.469 107 F N 0.813 120.762 119.950 -0.002 0.000 2.046 107 F HA -0.208 4.321 4.527 0.003 0.000 0.297 107 F C 2.122 177.938 175.800 0.027 0.000 1.123 107 F CA 1.747 59.746 58.000 -0.001 0.000 1.199 107 F CB -0.005 38.989 39.000 -0.010 0.000 0.972 107 F HN 0.355 nan 8.300 nan 0.000 0.474 108 E N 0.447 120.724 120.200 0.127 0.000 2.038 108 E HA -0.221 4.131 4.350 0.004 0.000 0.195 108 E C -0.264 176.356 176.600 0.033 0.000 1.000 108 E CA 1.655 58.093 56.400 0.064 0.000 0.803 108 E CB -1.907 27.897 29.700 0.174 0.000 0.750 108 E HN 0.381 nan 8.360 nan 0.000 0.448 109 P HA -0.145 nan 4.420 nan 0.000 0.217 109 P C 1.664 178.934 177.300 -0.050 0.000 1.150 109 P CA 0.788 63.886 63.100 -0.004 0.000 0.832 109 P CB -0.061 31.641 31.700 0.003 0.000 0.787 110 L N -0.303 120.872 121.223 -0.081 0.000 2.046 110 L HA -0.122 4.220 4.340 0.004 0.000 0.208 110 L C 2.252 179.022 176.870 -0.167 0.000 1.077 110 L CA 1.817 56.589 54.840 -0.114 0.000 0.747 110 L CB -1.302 40.688 42.059 -0.115 0.000 0.896 110 L HN -0.201 nan 8.230 nan 0.000 0.432 111 V N -0.013 119.732 119.914 -0.281 0.000 2.343 111 V HA -0.300 3.823 4.120 0.004 0.000 0.247 111 V C 2.797 178.866 176.094 -0.041 0.000 1.051 111 V CA 1.588 63.750 62.300 -0.231 0.000 1.036 111 V CB -1.310 30.279 31.823 -0.390 0.000 0.654 111 V HN 0.616 nan 8.190 nan 0.000 0.451 112 A N 0.104 122.928 122.820 0.008 0.000 1.865 112 A HA -0.275 4.047 4.320 0.004 0.000 0.217 112 A C 2.356 179.877 177.584 -0.103 0.000 1.191 112 A CA 2.226 54.216 52.037 -0.078 0.000 0.623 112 A CB -0.541 18.376 19.000 -0.138 0.000 0.826 112 A HN 0.516 nan 8.150 nan 0.000 0.444 113 R N -0.610 119.837 120.500 -0.088 0.000 2.092 113 R HA 0.035 4.378 4.340 0.004 0.000 0.231 113 R C 2.105 178.351 176.300 -0.091 0.000 1.119 113 R CA 1.228 57.275 56.100 -0.088 0.000 0.970 113 R CB -0.469 29.787 30.300 -0.074 0.000 0.864 113 R HN 0.530 nan 8.270 nan 0.000 0.440 114 L N 0.220 121.393 121.223 -0.084 0.000 2.017 114 L HA -0.218 4.125 4.340 0.004 0.000 0.208 114 L C 2.333 179.146 176.870 -0.095 0.000 1.073 114 L CA 0.900 55.689 54.840 -0.085 0.000 0.745 114 L CB -0.538 41.476 42.059 -0.074 0.000 0.894 114 L HN 0.183 nan 8.230 nan 0.000 0.432 115 L N 0.333 121.513 121.223 -0.070 0.000 1.990 115 L HA -0.225 4.117 4.340 0.004 0.000 0.213 115 L C 2.716 179.530 176.870 -0.092 0.000 1.072 115 L CA 2.150 56.955 54.840 -0.059 0.000 0.755 115 L CB -0.775 41.282 42.059 -0.004 0.000 0.889 115 L HN 0.193 nan 8.230 nan 0.000 0.432 116 A N -0.747 122.013 122.820 -0.099 0.000 1.917 116 A HA -0.225 4.097 4.320 0.004 0.000 0.219 116 A C 2.432 179.961 177.584 -0.092 0.000 1.182 116 A CA 2.247 54.229 52.037 -0.092 0.000 0.633 116 A CB -1.243 17.700 19.000 -0.095 0.000 0.819 116 A HN 0.611 nan 8.150 nan 0.000 0.448 117 A N -1.096 121.645 122.820 -0.131 0.000 1.898 117 A HA -0.158 4.164 4.320 0.004 0.000 0.216 117 A C 2.286 179.730 177.584 -0.234 0.000 1.181 117 A CA 1.667 53.599 52.037 -0.175 0.000 0.620 117 A CB -1.259 17.625 19.000 -0.193 0.000 0.819 117 A HN 0.640 nan 8.150 nan 0.000 0.442 118 C N -0.437 118.672 119.300 -0.317 0.000 2.432 118 C HA -0.044 4.418 4.460 0.004 0.000 0.280 118 C C 2.540 177.333 174.990 -0.327 0.000 1.353 118 C CA 0.977 59.639 59.018 -0.594 0.000 1.766 118 C CB -1.311 26.053 27.740 -0.626 0.000 1.924 118 C HN 0.659 nan 8.230 nan 0.000 0.509 119 E N -0.257 119.853 120.200 -0.149 0.000 2.107 119 E HA -0.209 4.143 4.350 0.004 0.000 0.191 119 E C 1.801 178.384 176.600 -0.030 0.000 0.982 119 E CA 1.061 57.423 56.400 -0.063 0.000 0.809 119 E CB -0.273 29.398 29.700 -0.048 0.000 0.756 119 E HN 0.791 nan 8.360 nan 0.000 0.459 120 H N 0.863 119.861 119.070 -0.121 0.000 2.319 120 H HA -0.103 4.455 4.556 0.004 0.000 0.299 120 H C 2.042 177.323 175.328 -0.077 0.000 1.092 120 H CA 1.765 57.755 56.048 -0.097 0.000 1.302 120 H CB 0.028 29.722 29.762 -0.114 0.000 1.373 120 H HN 0.052 nan 8.280 nan 0.000 0.497 121 I N 0.303 120.925 120.570 0.087 0.000 2.127 121 I HA -0.290 3.882 4.170 0.004 0.000 0.241 121 I C 2.701 178.868 176.117 0.084 0.000 1.075 121 I CA 1.229 62.584 61.300 0.091 0.000 1.334 121 I CB -0.495 37.525 38.000 0.034 0.000 1.040 121 I HN 0.426 nan 8.210 nan 0.000 0.405 122 A N 0.162 123.018 122.820 0.060 0.000 2.066 122 A HA 0.126 4.448 4.320 0.004 0.000 0.218 122 A C 2.061 179.658 177.584 0.022 0.000 1.157 122 A CA 1.162 53.249 52.037 0.084 0.000 0.670 122 A CB -0.797 18.268 19.000 0.108 0.000 0.804 122 A HN 0.639 nan 8.150 nan 0.000 0.453 123 G N -1.405 107.376 108.800 -0.031 0.000 2.162 123 G HA2 -0.276 3.686 3.960 0.004 0.000 0.260 123 G HA3 -0.276 3.686 3.960 0.004 0.000 0.260 123 G C 0.234 175.107 174.900 -0.046 0.000 0.976 123 G CA 0.579 45.638 45.100 -0.068 0.000 0.655 123 G HN 0.706 nan 8.290 nan 0.000 0.533 124 R N -0.404 120.081 120.500 -0.024 0.000 2.673 124 R HA 0.570 4.912 4.340 0.004 0.000 0.281 124 R C -0.416 175.876 176.300 -0.013 0.000 0.991 124 R CA -0.921 55.170 56.100 -0.014 0.000 0.896 124 R CB 1.701 32.002 30.300 0.003 0.000 1.201 124 R HN 0.166 nan 8.270 nan 0.000 0.457 125 K N 1.377 121.767 120.400 -0.016 0.000 2.123 125 K HA 0.310 4.632 4.320 0.004 0.000 0.259 125 K C -0.343 176.256 176.600 -0.001 0.000 0.960 125 K CA -0.858 55.419 56.287 -0.016 0.000 0.872 125 K CB 1.157 33.640 32.500 -0.029 0.000 1.079 125 K HN 0.309 nan 8.250 nan 0.000 0.440 126 N N 3.033 121.738 118.700 0.008 0.000 2.750 126 N HA 0.148 4.890 4.740 0.004 0.000 0.253 126 N C -2.153 173.387 175.510 0.051 0.000 1.408 126 N CA -1.846 51.220 53.050 0.027 0.000 0.780 126 N CB 1.080 39.585 38.487 0.031 0.000 1.191 126 N HN 0.318 nan 8.380 nan 0.000 0.511 127 P HA -0.079 nan 4.420 nan 0.000 0.222 127 P C 0.907 178.289 177.300 0.136 0.000 1.147 127 P CA 0.861 64.011 63.100 0.084 0.000 0.790 127 P CB 0.804 32.528 31.700 0.040 0.000 0.780 128 E N -0.464 119.787 120.200 0.084 0.000 2.106 128 E HA -0.134 4.218 4.350 0.004 0.000 0.192 128 E C 1.987 178.628 176.600 0.068 0.000 0.984 128 E CA 0.445 56.887 56.400 0.070 0.000 0.806 128 E CB -0.399 29.327 29.700 0.044 0.000 0.750 128 E HN 0.099 nan 8.360 nan 0.000 0.458 129 L N 0.104 121.371 121.223 0.072 0.000 2.093 129 L HA -0.167 4.175 4.340 0.004 0.000 0.208 129 L C 2.173 179.092 176.870 0.081 0.000 1.085 129 L CA 1.494 56.371 54.840 0.062 0.000 0.755 129 L CB -0.552 41.537 42.059 0.049 0.000 0.904 129 L HN 0.158 nan 8.230 nan 0.000 0.435 130 Y N 1.205 121.505 120.300 -0.000 0.000 2.014 130 Y HA -0.365 4.187 4.550 0.004 0.000 0.272 130 Y C 2.386 178.297 175.900 0.019 0.000 1.164 130 Y CA 2.497 60.596 58.100 -0.003 0.000 1.114 130 Y CB -0.510 37.943 38.460 -0.013 0.000 0.961 130 Y HN 0.393 nan 8.280 nan 0.000 0.489 131 E N -0.287 119.878 120.200 -0.057 0.000 2.118 131 E HA -0.306 4.047 4.350 0.004 0.000 0.195 131 E C 2.196 178.736 176.600 -0.099 0.000 0.992 131 E CA 1.620 57.951 56.400 -0.116 0.000 0.804 131 E CB -0.280 29.434 29.700 0.023 0.000 0.741 131 E HN 0.661 nan 8.360 nan 0.000 0.458 132 Q N 0.337 120.112 119.800 -0.041 0.000 2.084 132 Q HA -0.156 4.186 4.340 0.004 0.000 0.202 132 Q C 2.273 178.264 176.000 -0.015 0.000 0.978 132 Q CA 1.143 56.936 55.803 -0.017 0.000 0.844 132 Q CB -0.116 28.629 28.738 0.011 0.000 0.898 132 Q HN 0.367 nan 8.270 nan 0.000 0.426 133 I N 0.534 121.078 120.570 -0.043 0.000 2.163 133 I HA -0.317 3.855 4.170 0.004 0.000 0.243 133 I C 2.151 178.281 176.117 0.022 0.000 1.085 133 I CA 1.149 62.443 61.300 -0.011 0.000 1.347 133 I CB -0.391 37.582 38.000 -0.045 0.000 1.044 133 I HN 0.234 nan 8.210 nan 0.000 0.408 134 L N -0.019 121.139 121.223 -0.108 0.000 1.994 134 L HA -0.233 4.109 4.340 0.004 0.000 0.208 134 L C 2.730 179.609 176.870 0.016 0.000 1.071 134 L CA 1.432 56.266 54.840 -0.012 0.000 0.745 134 L CB -0.995 40.974 42.059 -0.150 0.000 0.892 134 L HN 0.402 nan 8.230 nan 0.000 0.431 135 Q N 0.199 119.990 119.800 -0.015 0.000 2.077 135 Q HA -0.271 4.072 4.340 0.004 0.000 0.206 135 Q C 2.362 178.379 176.000 0.029 0.000 0.989 135 Q CA 2.496 58.304 55.803 0.008 0.000 0.853 135 Q CB -0.198 28.540 28.738 -0.001 0.000 0.907 135 Q HN 0.383 nan 8.270 nan 0.000 0.418 136 S N -0.004 115.719 115.700 0.039 0.000 2.370 136 S HA -0.188 4.284 4.470 0.004 0.000 0.226 136 S C 1.851 176.493 174.600 0.070 0.000 1.033 136 S CA 1.640 59.875 58.200 0.059 0.000 1.011 136 S CB -0.231 63.014 63.200 0.075 0.000 0.852 136 S HN 0.475 nan 8.310 nan 0.000 0.457 137 Q N 0.930 120.770 119.800 0.067 0.000 2.084 137 Q HA -0.119 4.223 4.340 0.004 0.000 0.202 137 Q C 2.216 178.194 176.000 -0.035 0.000 0.978 137 Q CA 1.352 57.150 55.803 -0.008 0.000 0.844 137 Q CB -0.308 28.355 28.738 -0.126 0.000 0.898 137 Q HN 0.581 nan 8.270 nan 0.000 0.426 138 R N -0.007 120.486 120.500 -0.012 0.000 2.083 138 R HA -0.151 4.192 4.340 0.004 0.000 0.237 138 R C 2.489 178.812 176.300 0.037 0.000 1.137 138 R CA 1.278 57.379 56.100 0.000 0.000 0.951 138 R CB -0.456 29.850 30.300 0.011 0.000 0.851 138 R HN 0.197 nan 8.270 nan 0.000 0.434 139 L N 0.810 122.071 121.223 0.063 0.000 2.079 139 L HA -0.161 4.181 4.340 0.004 0.000 0.210 139 L C 2.124 179.056 176.870 0.103 0.000 1.081 139 L CA 1.515 56.422 54.840 0.111 0.000 0.752 139 L CB -0.278 41.855 42.059 0.124 0.000 0.896 139 L HN -0.056 nan 8.230 nan 0.000 0.433 140 V N -1.696 118.258 119.914 0.067 0.000 2.358 140 V HA -0.260 3.862 4.120 0.004 0.000 0.246 140 V C 2.681 178.776 176.094 0.002 0.000 1.047 140 V CA 1.628 63.955 62.300 0.045 0.000 1.035 140 V CB -0.660 31.242 31.823 0.132 0.000 0.658 140 V HN 0.587 nan 8.190 nan 0.000 0.452 141 S N 0.269 115.970 115.700 0.002 0.000 2.359 141 S HA -0.281 4.191 4.470 0.004 0.000 0.222 141 S C 2.216 176.811 174.600 -0.007 0.000 1.038 141 S CA 2.004 60.193 58.200 -0.019 0.000 1.051 141 S CB -0.511 62.670 63.200 -0.032 0.000 0.944 141 S HN 0.636 nan 8.310 nan 0.000 0.433 142 A N 0.935 123.788 122.820 0.054 0.000 1.958 142 A HA -0.112 4.210 4.320 0.004 0.000 0.221 142 A C 2.150 179.765 177.584 0.051 0.000 1.178 142 A CA 1.905 54.029 52.037 0.144 0.000 0.642 142 A CB -0.854 18.321 19.000 0.291 0.000 0.816 142 A HN 0.654 nan 8.150 nan 0.000 0.453 143 I N -0.949 119.565 120.570 -0.095 0.000 2.286 143 I HA -0.168 4.004 4.170 0.004 0.000 0.245 143 I C 2.323 178.129 176.117 -0.518 0.000 1.104 143 I CA 0.919 61.956 61.300 -0.438 0.000 1.397 143 I CB -0.213 37.589 38.000 -0.331 0.000 1.072 143 I HN 0.150 nan 8.210 nan 0.000 0.417 144 V N -0.048 119.639 119.914 -0.377 0.000 2.407 144 V HA -0.283 3.839 4.120 0.004 0.000 0.248 144 V C 2.604 178.515 176.094 -0.304 0.000 1.055 144 V CA 2.215 64.276 62.300 -0.398 0.000 1.049 144 V CB -0.551 31.160 31.823 -0.188 0.000 0.662 144 V HN 0.530 nan 8.190 nan 0.000 0.455 145 S N -0.520 115.071 115.700 -0.182 0.000 2.371 145 S HA -0.271 4.201 4.470 0.004 0.000 0.224 145 S C 2.088 176.613 174.600 -0.125 0.000 1.029 145 S CA 1.833 59.962 58.200 -0.118 0.000 0.978 145 S CB -0.470 62.704 63.200 -0.042 0.000 0.833 145 S HN 0.803 nan 8.310 nan 0.000 0.466 146 H N 0.950 119.879 119.070 -0.235 0.000 2.387 146 H HA 0.110 4.668 4.556 0.004 0.000 0.299 146 H C 1.523 176.657 175.328 -0.324 0.000 1.090 146 H CA 2.219 58.119 56.048 -0.247 0.000 1.332 146 H CB -0.333 29.219 29.762 -0.350 0.000 1.386 146 H HN 0.557 nan 8.280 nan 0.000 0.516 147 N N -1.139 117.256 118.700 -0.508 0.000 2.205 147 N HA 0.108 4.851 4.740 0.004 0.000 0.201 147 N C 1.536 176.778 175.510 -0.447 0.000 1.128 147 N CA 0.348 53.039 53.050 -0.599 0.000 0.867 147 N CB 0.726 38.558 38.487 -1.093 0.000 0.996 147 N HN 0.362 nan 8.380 nan 0.000 0.503 148 G N 0.290 108.876 108.800 -0.357 0.000 2.708 148 G HA2 -0.162 3.800 3.960 0.004 0.000 0.210 148 G HA3 -0.162 3.800 3.960 0.004 0.000 0.210 148 G C 1.486 176.294 174.900 -0.153 0.000 1.141 148 G CA 0.319 45.273 45.100 -0.242 0.000 0.788 148 G HN 0.242 nan 8.290 nan 0.000 0.531 149 R N -1.105 119.303 120.500 -0.154 0.000 2.307 149 R HA 0.200 4.543 4.340 0.004 0.000 0.200 149 R C 0.884 177.143 176.300 -0.068 0.000 0.893 149 R CA -0.271 55.770 56.100 -0.099 0.000 1.042 149 R CB 0.218 30.458 30.300 -0.099 0.000 1.059 149 R HN 0.243 nan 8.270 nan 0.000 0.530 150 Q N 1.350 121.108 119.800 -0.071 0.000 2.417 150 Q HA 0.082 4.425 4.340 0.004 0.000 0.241 150 Q C -0.219 175.793 176.000 0.021 0.000 1.008 150 Q CA 0.022 55.817 55.803 -0.013 0.000 0.901 150 Q CB 0.899 29.648 28.738 0.018 0.000 1.259 150 Q HN 0.060 nan 8.270 nan 0.000 0.489 151 R N 0.485 121.009 120.500 0.040 0.000 2.502 151 R HA -0.038 4.305 4.340 0.004 0.000 0.292 151 R C 1.068 177.420 176.300 0.087 0.000 0.998 151 R CA 0.488 56.620 56.100 0.052 0.000 1.056 151 R CB 0.306 30.636 30.300 0.050 0.000 0.939 151 R HN 0.773 nan 8.270 nan 0.000 0.411 152 A N 3.724 126.597 122.820 0.088 0.000 2.032 152 A HA -0.208 4.114 4.320 0.004 0.000 0.221 152 A C 1.256 178.926 177.584 0.143 0.000 1.165 152 A CA 1.997 54.114 52.037 0.132 0.000 0.645 152 A CB -0.277 18.790 19.000 0.111 0.000 0.807 152 A HN 0.916 nan 8.150 nan 0.000 0.453 153 D N -1.163 119.298 120.400 0.102 0.000 2.368 153 D HA 0.391 5.033 4.640 0.004 0.000 0.218 153 D C 1.347 177.693 176.300 0.076 0.000 1.112 153 D CA 0.638 54.687 54.000 0.082 0.000 0.834 153 D CB -0.322 40.535 40.800 0.094 0.000 0.953 153 D HN 0.270 nan 8.370 nan 0.000 0.505 154 A N 1.641 124.519 122.820 0.096 0.000 1.948 154 A HA -0.111 4.211 4.320 0.004 0.000 0.220 154 A C -0.216 177.401 177.584 0.055 0.000 1.177 154 A CA 1.103 53.199 52.037 0.098 0.000 0.636 154 A CB -1.473 17.601 19.000 0.124 0.000 0.815 154 A HN 0.271 nan 8.150 nan 0.000 0.449 155 P HA -0.026 nan 4.420 nan 0.000 0.236 155 P C 0.628 177.830 177.300 -0.163 0.000 1.172 155 P CA 0.667 63.668 63.100 -0.165 0.000 0.759 155 P CB 0.048 31.502 31.700 -0.410 0.000 0.843 156 L N -1.369 119.791 121.223 -0.106 0.000 2.693 156 L HA 0.126 4.469 4.340 0.004 0.000 0.235 156 L C 1.844 178.688 176.870 -0.044 0.000 1.127 156 L CA 0.938 55.679 54.840 -0.166 0.000 0.914 156 L CB -0.330 41.575 42.059 -0.257 0.000 1.193 156 L HN -0.152 nan 8.230 nan 0.000 0.502 157 Q N -0.798 118.992 119.800 -0.016 0.000 2.402 157 Q HA 0.241 4.583 4.340 0.004 0.000 0.206 157 Q C -0.062 175.639 176.000 -0.499 0.000 0.919 157 Q CA 0.647 56.359 55.803 -0.151 0.000 0.923 157 Q CB 0.433 29.074 28.738 -0.162 0.000 1.048 157 Q HN 0.446 nan 8.270 nan 0.000 0.515 158 H N -2.020 117.094 119.070 0.073 0.000 3.012 158 H HA 0.062 4.620 4.556 0.004 0.000 0.367 158 H C -0.277 175.065 175.328 0.023 0.000 1.211 158 H CA -0.631 55.464 56.048 0.077 0.000 1.139 158 H CB 0.822 30.618 29.762 0.057 0.000 1.838 158 H HN -0.073 nan 8.280 nan 0.000 0.550 159 Y N 1.435 121.784 120.300 0.081 0.000 2.181 159 Y HA -0.223 4.330 4.550 0.004 0.000 0.288 159 Y C 2.009 177.818 175.900 -0.151 0.000 1.146 159 Y CA 1.648 59.733 58.100 -0.026 0.000 1.164 159 Y CB 0.121 38.571 38.460 -0.016 0.000 0.982 159 Y HN 0.466 nan 8.280 nan 0.000 0.515 160 L N 0.799 121.735 121.223 -0.478 0.000 2.056 160 L HA -0.161 4.182 4.340 0.004 0.000 0.207 160 L C 2.120 178.766 176.870 -0.373 0.000 1.078 160 L CA 1.773 56.260 54.840 -0.588 0.000 0.749 160 L CB -0.972 40.887 42.059 -0.333 0.000 0.901 160 L HN 0.237 nan 8.230 nan 0.000 0.433 161 Q N -0.553 119.127 119.800 -0.200 0.000 2.135 161 Q HA -0.186 4.156 4.340 0.004 0.000 0.204 161 Q C 2.510 178.352 176.000 -0.264 0.000 0.981 161 Q CA 2.021 57.737 55.803 -0.145 0.000 0.856 161 Q CB -0.408 28.333 28.738 0.005 0.000 0.902 161 Q HN 0.756 nan 8.270 nan 0.000 0.425 162 S N -0.203 115.316 115.700 -0.301 0.000 2.406 162 S HA -0.105 4.368 4.470 0.004 0.000 0.228 162 S C 1.634 176.001 174.600 -0.389 0.000 1.020 162 S CA 0.747 58.745 58.200 -0.335 0.000 0.965 162 S CB -0.061 62.986 63.200 -0.254 0.000 0.798 162 S HN 0.225 nan 8.310 nan 0.000 0.488 163 E N 1.094 121.006 120.200 -0.479 0.000 2.208 163 E HA -0.002 4.350 4.350 0.004 0.000 0.193 163 E C 2.096 178.525 176.600 -0.286 0.000 0.988 163 E CA 0.761 56.927 56.400 -0.391 0.000 0.828 163 E CB -0.179 29.234 29.700 -0.478 0.000 0.763 163 E HN 0.732 nan 8.360 nan 0.000 0.478 164 Q N -0.833 118.790 119.800 -0.295 0.000 2.376 164 Q HA 0.067 4.409 4.340 0.004 0.000 0.206 164 Q C 1.408 177.198 176.000 -0.349 0.000 0.921 164 Q CA 0.659 56.339 55.803 -0.205 0.000 0.911 164 Q CB 0.633 29.302 28.738 -0.114 0.000 1.032 164 Q HN 0.104 nan 8.270 nan 0.000 0.510 165 G N 0.336 108.724 108.800 -0.687 0.000 3.609 165 G HA2 0.126 4.088 3.960 0.004 0.000 0.280 165 G HA3 0.126 4.088 3.960 0.004 0.000 0.280 165 G C -0.030 174.069 174.900 -1.335 0.000 1.155 165 G CA -0.256 43.852 45.100 -1.653 0.000 0.876 165 G HN 0.098 nan 8.290 nan 0.000 0.535 166 L N 1.062 121.906 121.223 -0.632 0.000 2.416 166 L HA 0.333 4.675 4.340 0.004 0.000 0.243 166 L C 1.234 177.979 176.870 -0.208 0.000 1.373 166 L CA -0.682 53.943 54.840 -0.360 0.000 1.227 166 L CB -0.927 41.020 42.059 -0.187 0.000 1.428 166 L HN 0.440 nan 8.230 nan 0.000 0.425 167 W N 0.874 121.969 121.300 -0.343 0.000 2.321 167 W HA -0.288 4.374 4.660 0.004 0.000 0.306 167 W C 1.334 177.450 176.519 -0.672 0.000 1.217 167 W CA 0.364 57.315 57.345 -0.656 0.000 1.257 167 W CB -0.344 28.453 29.460 -1.105 0.000 1.145 167 W HN 0.410 nan 8.180 nan 0.000 0.509 168 F N -0.468 119.609 119.950 0.213 0.000 2.746 168 F HA 0.380 4.910 4.527 0.004 0.000 0.297 168 F C 1.761 177.618 175.800 0.095 0.000 1.113 168 F CA 0.491 58.574 58.000 0.138 0.000 1.367 168 F CB -0.816 38.269 39.000 0.141 0.000 1.111 168 F HN -0.031 nan 8.300 nan 0.000 0.590 169 G N -0.032 108.876 108.800 0.181 0.000 2.553 169 G HA2 -0.305 3.657 3.960 0.004 0.000 0.242 169 G HA3 -0.305 3.657 3.960 0.004 0.000 0.242 169 G C -0.412 174.580 174.900 0.152 0.000 1.277 169 G CA -0.293 44.873 45.100 0.109 0.000 0.910 169 G HN 0.427 nan 8.290 nan 0.000 0.576 170 H N 3.627 122.699 119.070 0.004 0.000 3.184 170 H HA 0.206 4.764 4.556 0.004 0.000 0.274 170 H C -0.618 174.776 175.328 0.110 0.000 0.962 170 H CA -0.564 55.502 56.048 0.030 0.000 1.441 170 H CB 0.943 30.695 29.762 -0.018 0.000 1.518 170 H HN 0.289 nan 8.280 nan 0.000 0.539 171 P HA -0.011 nan 4.420 nan 0.000 0.242 171 P C -0.300 177.189 177.300 0.315 0.000 1.197 171 P CA 0.287 63.564 63.100 0.295 0.000 0.765 171 P CB 0.590 32.406 31.700 0.193 0.000 0.936 172 S N 0.036 116.009 115.700 0.455 0.000 2.204 172 S HA 0.255 4.728 4.470 0.004 0.000 0.178 172 S C -0.606 173.979 174.600 -0.025 0.000 1.493 172 S CA -0.382 57.956 58.200 0.229 0.000 1.266 172 S CB -0.093 63.273 63.200 0.278 0.000 1.232 172 S HN 0.233 nan 8.310 nan 0.000 0.406 173 H N 1.834 120.836 119.070 -0.115 0.000 3.038 173 H HA 0.294 4.852 4.556 0.004 0.000 0.362 173 H C -2.841 172.458 175.328 -0.047 0.000 1.167 173 H CA -1.281 54.643 56.048 -0.206 0.000 1.197 173 H CB 2.617 32.168 29.762 -0.351 0.000 1.840 173 H HN 0.023 nan 8.280 nan 0.000 0.540 174 P HA 0.165 nan 4.420 nan 0.000 0.240 174 P C -0.027 177.382 177.300 0.181 0.000 1.190 174 P CA 0.432 63.570 63.100 0.062 0.000 0.781 174 P CB 0.842 32.522 31.700 -0.033 0.000 0.931 175 A N 0.577 123.636 122.820 0.397 0.000 3.415 175 A HA 0.384 4.706 4.320 0.004 0.000 0.244 175 A C -1.818 175.824 177.584 0.097 0.000 0.988 175 A CA -0.731 51.450 52.037 0.240 0.000 0.991 175 A CB 0.137 19.235 19.000 0.164 0.000 1.240 175 A HN -0.059 nan 8.150 nan 0.000 0.541 176 P HA -0.134 nan 4.420 nan 0.000 0.219 176 P C 0.610 177.847 177.300 -0.105 0.000 1.146 176 P CA 1.360 64.360 63.100 -0.167 0.000 0.808 176 P CB 0.309 32.029 31.700 0.035 0.000 0.779 177 K N -0.970 119.421 120.400 -0.016 0.000 2.414 177 K HA 0.328 4.650 4.320 0.004 0.000 0.204 177 K C 0.517 177.105 176.600 -0.021 0.000 1.026 177 K CA -0.444 55.845 56.287 0.003 0.000 1.108 177 K CB 0.630 33.167 32.500 0.061 0.000 0.855 177 K HN 0.001 nan 8.250 nan 0.000 0.517 178 A N 1.831 124.621 122.820 -0.050 0.000 2.354 178 A HA 0.434 4.756 4.320 0.004 0.000 0.281 178 A C -0.342 177.143 177.584 -0.164 0.000 1.174 178 A CA -0.222 51.773 52.037 -0.071 0.000 0.828 178 A CB 0.096 19.078 19.000 -0.030 0.000 1.099 178 A HN 0.196 nan 8.150 nan 0.000 0.516 179 R N 2.740 123.083 120.500 -0.261 0.000 2.539 179 R HA 0.313 4.655 4.340 0.004 0.000 0.295 179 R C -1.606 174.266 176.300 -0.714 0.000 1.138 179 R CA -0.704 55.056 56.100 -0.566 0.000 0.936 179 R CB 1.211 31.041 30.300 -0.784 0.000 1.182 179 R HN 0.476 nan 8.270 nan 0.000 0.459 180 L N 3.492 124.407 121.223 -0.514 0.000 2.536 180 L HA 0.272 4.615 4.340 0.004 0.000 0.242 180 L C -0.453 176.275 176.870 -0.236 0.000 1.280 180 L CA -0.531 54.135 54.840 -0.291 0.000 1.221 180 L CB -1.182 40.787 42.059 -0.150 0.000 1.449 180 L HN 0.441 nan 8.230 nan 0.000 0.405 181 W N 0.965 122.244 121.300 -0.034 0.000 2.129 181 W HA 0.437 5.100 4.660 0.004 0.000 0.349 181 W C -1.552 174.937 176.519 -0.051 0.000 1.279 181 W CA -2.279 55.021 57.345 -0.075 0.000 1.306 181 W CB -0.752 28.651 29.460 -0.096 0.000 1.140 181 W HN 0.169 nan 8.180 nan 0.000 0.613 182 P HA 0.028 nan 4.420 nan 0.000 0.260 182 P C -0.243 177.113 177.300 0.094 0.000 1.172 182 P CA 0.345 63.513 63.100 0.114 0.000 0.760 182 P CB 0.150 31.886 31.700 0.060 0.000 0.773 183 A N 4.665 127.582 122.820 0.161 0.000 2.500 183 A HA 0.132 4.454 4.320 0.004 0.000 0.285 183 A C 1.016 178.750 177.584 0.250 0.000 1.183 183 A CA 0.802 52.941 52.037 0.170 0.000 0.851 183 A CB -1.176 17.911 19.000 0.145 0.000 1.091 183 A HN 0.980 nan 8.150 nan 0.000 0.521 184 H N 0.451 119.597 119.070 0.127 0.000 1.798 184 H HA -0.114 4.444 4.556 0.004 0.000 0.115 184 H C -0.052 175.342 175.328 0.110 0.000 0.767 184 H CA 0.463 56.570 56.048 0.098 0.000 0.412 184 H CB -1.280 28.530 29.762 0.081 0.000 0.314 184 H HN 0.485 nan 8.280 nan 0.000 0.208 185 L N 2.397 123.442 121.223 -0.297 0.000 2.554 185 L HA 0.350 4.693 4.340 0.004 0.000 0.226 185 L C 1.394 178.321 176.870 0.094 0.000 1.137 185 L CA 0.956 55.730 54.840 -0.109 0.000 0.863 185 L CB -0.051 41.882 42.059 -0.210 0.000 0.985 185 L HN 0.664 nan 8.230 nan 0.000 0.451 186 G N -0.124 108.711 108.800 0.059 0.000 2.828 186 G HA2 -0.222 3.740 3.960 0.004 0.000 0.463 186 G HA3 -0.222 3.740 3.960 0.004 0.000 0.463 186 G C 0.032 174.979 174.900 0.080 0.000 1.394 186 G CA -0.305 44.807 45.100 0.020 0.000 0.862 186 G HN 0.105 nan 8.290 nan 0.000 0.540 187 Q N -0.696 119.125 119.800 0.035 0.000 2.477 187 Q HA 0.110 4.453 4.340 0.004 0.000 0.252 187 Q C 2.442 178.395 176.000 -0.079 0.000 0.869 187 Q CA 1.089 57.004 55.803 0.186 0.000 0.969 187 Q CB 0.248 29.108 28.738 0.203 0.000 1.144 187 Q HN 0.673 nan 8.270 nan 0.000 0.577 188 E N 1.481 121.465 120.200 -0.360 0.000 2.110 188 E HA -0.189 4.163 4.350 0.004 0.000 0.193 188 E C 1.807 178.125 176.600 -0.471 0.000 0.988 188 E CA 1.205 57.239 56.400 -0.610 0.000 0.804 188 E CB 0.046 29.278 29.700 -0.780 0.000 0.745 188 E HN 0.218 nan 8.360 nan 0.000 0.458 189 Q N -1.334 118.058 119.800 -0.681 0.000 2.291 189 Q HA -0.104 4.239 4.340 0.004 0.000 0.205 189 Q C 0.822 176.305 176.000 -0.863 0.000 0.970 189 Q CA 1.207 56.441 55.803 -0.948 0.000 0.876 189 Q CB -0.146 27.694 28.738 -1.497 0.000 0.935 189 Q HN 0.500 nan 8.270 nan 0.000 0.455 190 W N -0.830 120.405 121.300 -0.108 0.000 2.870 190 W HA 0.574 5.237 4.660 0.004 0.000 0.358 190 W C -0.058 176.484 176.519 0.037 0.000 1.043 190 W CA -0.498 56.801 57.345 -0.078 0.000 1.692 190 W CB 0.548 29.834 29.460 -0.290 0.000 1.100 190 W HN -0.168 nan 8.180 nan 0.000 0.557 191 A N 2.793 125.737 122.820 0.206 0.000 2.276 191 A HA 0.375 4.698 4.320 0.004 0.000 0.300 191 A C -1.243 176.459 177.584 0.196 0.000 1.235 191 A CA -1.357 50.839 52.037 0.266 0.000 0.867 191 A CB 0.742 19.955 19.000 0.354 0.000 1.137 191 A HN -0.094 nan 8.150 nan 0.000 0.527 192 P HA -0.159 nan 4.420 nan 0.000 0.218 192 P C 0.584 177.946 177.300 0.103 0.000 1.149 192 P CA 1.261 64.404 63.100 0.072 0.000 0.817 192 P CB 0.264 31.970 31.700 0.010 0.000 0.785 193 E N -1.076 119.208 120.200 0.140 0.000 2.333 193 E HA -0.089 4.263 4.350 0.004 0.000 0.198 193 E C 0.841 177.387 176.600 -0.090 0.000 1.007 193 E CA 0.839 57.319 56.400 0.132 0.000 0.845 193 E CB -0.853 28.909 29.700 0.104 0.000 0.766 193 E HN 0.357 nan 8.360 nan 0.000 0.507 194 F N 0.328 120.274 119.950 -0.007 0.000 2.668 194 F HA 0.176 4.705 4.527 0.004 0.000 0.297 194 F C -0.094 175.679 175.800 -0.044 0.000 1.124 194 F CA -0.499 57.398 58.000 -0.172 0.000 1.353 194 F CB -0.037 38.766 39.000 -0.327 0.000 0.992 194 F HN -0.257 nan 8.300 nan 0.000 0.524 195 Q N -0.196 119.693 119.800 0.149 0.000 2.435 195 Q HA -0.215 4.127 4.340 0.004 0.000 0.312 195 Q C 0.335 176.393 176.000 0.096 0.000 1.333 195 Q CA 0.751 56.626 55.803 0.120 0.000 0.883 195 Q CB -1.945 26.872 28.738 0.131 0.000 1.170 195 Q HN 0.422 nan 8.270 nan 0.000 0.443 196 A N 0.855 123.727 122.820 0.087 0.000 2.498 196 A HA 0.472 4.794 4.320 0.004 0.000 0.239 196 A C 0.454 178.089 177.584 0.084 0.000 1.068 196 A CA 0.258 52.325 52.037 0.050 0.000 0.766 196 A CB 0.452 19.473 19.000 0.035 0.000 1.003 196 A HN 0.383 nan 8.150 nan 0.000 0.497 197 R N 0.516 121.066 120.500 0.083 0.000 2.867 197 R HA 0.829 5.172 4.340 0.004 0.000 0.268 197 R C -0.919 175.483 176.300 0.170 0.000 1.014 197 R CA -0.446 55.746 56.100 0.152 0.000 0.946 197 R CB 2.422 32.784 30.300 0.103 0.000 1.208 197 R HN 1.100 nan 8.270 nan 0.000 0.477 198 A N 0.533 123.499 122.820 0.243 0.000 2.594 198 A HA 0.654 4.976 4.320 0.004 0.000 0.296 198 A C -1.468 176.139 177.584 0.039 0.000 1.056 198 A CA -0.630 51.513 52.037 0.176 0.000 0.693 198 A CB 1.604 20.832 19.000 0.380 0.000 1.278 198 A HN 0.784 nan 8.150 nan 0.000 0.408 199 A N 1.751 124.555 122.820 -0.027 0.000 2.401 199 A HA 0.600 4.922 4.320 0.004 0.000 0.259 199 A C 0.245 177.719 177.584 -0.183 0.000 1.103 199 A CA -0.176 51.792 52.037 -0.114 0.000 0.789 199 A CB -0.255 18.683 19.000 -0.103 0.000 1.035 199 A HN 0.933 nan 8.150 nan 0.000 0.491 200 L N 1.410 122.452 121.223 -0.302 0.000 2.473 200 L HA 0.163 4.506 4.340 0.004 0.000 0.268 200 L C 0.623 177.379 176.870 -0.190 0.000 1.215 200 L CA -0.143 54.477 54.840 -0.366 0.000 0.823 200 L CB 0.314 42.102 42.059 -0.453 0.000 1.099 200 L HN 0.855 nan 8.230 nan 0.000 0.483 201 H N 1.170 120.122 119.070 -0.198 0.000 2.473 201 H HA 0.319 4.877 4.556 0.004 0.000 0.327 201 H C -0.900 174.313 175.328 -0.192 0.000 1.105 201 H CA -0.330 55.617 56.048 -0.168 0.000 1.280 201 H CB 0.916 30.623 29.762 -0.092 0.000 1.450 201 H HN 0.488 nan 8.280 nan 0.000 0.492 202 Q N 3.631 123.285 119.800 -0.243 0.000 2.394 202 Q HA 0.338 4.680 4.340 0.004 0.000 0.273 202 Q C -1.381 174.400 176.000 -0.364 0.000 1.089 202 Q CA -0.861 54.839 55.803 -0.172 0.000 0.812 202 Q CB 2.528 31.173 28.738 -0.155 0.000 1.353 202 Q HN 0.490 nan 8.270 nan 0.000 0.438 203 F N 0.332 120.290 119.950 0.014 0.000 2.546 203 F HA 0.317 4.847 4.527 0.004 0.000 0.320 203 F C 0.141 175.895 175.800 -0.076 0.000 1.076 203 F CA -0.871 57.124 58.000 -0.008 0.000 0.928 203 F CB 1.835 40.836 39.000 0.003 0.000 1.189 203 F HN 0.446 nan 8.300 nan 0.000 0.465 204 E N 2.387 122.640 120.200 0.088 0.000 2.197 204 E HA 0.612 4.964 4.350 0.004 0.000 0.281 204 E C -1.506 175.079 176.600 -0.023 0.000 0.995 204 E CA -0.668 55.742 56.400 0.017 0.000 0.808 204 E CB 1.330 31.018 29.700 -0.020 0.000 1.093 204 E HN 0.536 nan 8.360 nan 0.000 0.394 205 V N 1.786 121.651 119.914 -0.081 0.000 2.925 205 V HA 0.667 4.789 4.120 0.004 0.000 0.311 205 V C -2.748 173.266 176.094 -0.134 0.000 1.104 205 V CA -2.608 59.493 62.300 -0.333 0.000 0.954 205 V CB 1.600 32.839 31.823 -0.973 0.000 1.022 205 V HN 0.612 nan 8.190 nan 0.000 0.427 206 P HA 0.171 nan 4.420 nan 0.000 0.275 206 P C 1.187 178.479 177.300 -0.014 0.000 1.227 206 P CA 0.248 63.195 63.100 -0.256 0.000 0.781 206 P CB 1.612 33.240 31.700 -0.121 0.000 0.906 207 V N 0.619 120.476 119.914 -0.094 0.000 2.490 207 V HA -0.234 3.888 4.120 0.004 0.000 0.250 207 V C 1.628 177.735 176.094 0.021 0.000 1.061 207 V CA 2.269 64.570 62.300 0.001 0.000 1.064 207 V CB -1.734 30.078 31.823 -0.018 0.000 0.670 207 V HN 0.485 nan 8.190 nan 0.000 0.461 208 D N 1.657 122.053 120.400 -0.006 0.000 2.378 208 D HA 0.014 4.656 4.640 0.004 0.000 0.222 208 D C 1.739 177.975 176.300 -0.106 0.000 0.980 208 D CA 1.252 55.224 54.000 -0.046 0.000 0.907 208 D CB -0.488 40.282 40.800 -0.050 0.000 0.899 208 D HN 0.569 nan 8.370 nan 0.000 0.527 209 G N -0.220 108.549 108.800 -0.052 0.000 3.159 209 G HA2 0.262 4.224 3.960 0.004 0.000 0.232 209 G HA3 0.262 4.224 3.960 0.004 0.000 0.232 209 G C 0.439 175.116 174.900 -0.372 0.000 1.116 209 G CA -0.474 44.391 45.100 -0.393 0.000 0.767 209 G HN 0.208 nan 8.290 nan 0.000 0.547 210 L N 1.816 123.008 121.223 -0.052 0.000 2.416 210 L HA 0.290 4.633 4.340 0.004 0.000 0.272 210 L C -0.069 176.638 176.870 -0.271 0.000 1.161 210 L CA -0.189 54.646 54.840 -0.008 0.000 0.845 210 L CB 0.509 42.614 42.059 0.077 0.000 1.119 210 L HN 0.161 nan 8.230 nan 0.000 0.464 211 H N 5.143 124.232 119.070 0.032 0.000 2.708 211 H HA 0.488 5.046 4.556 0.004 0.000 0.320 211 H C -0.620 174.734 175.328 0.042 0.000 0.991 211 H CA -0.411 55.653 56.048 0.028 0.000 1.243 211 H CB 1.645 31.421 29.762 0.024 0.000 1.446 211 H HN 0.437 nan 8.280 nan 0.000 0.502 212 I N 2.112 122.757 120.570 0.126 0.000 2.436 212 I HA 0.322 4.494 4.170 0.004 0.000 0.289 212 I C 0.502 176.681 176.117 0.103 0.000 1.010 212 I CA -0.728 60.634 61.300 0.103 0.000 1.098 212 I CB 2.228 40.274 38.000 0.077 0.000 1.266 212 I HN 0.554 nan 8.210 nan 0.000 0.434 213 G N 4.624 113.488 108.800 0.106 0.000 2.417 213 G HA2 0.773 4.735 3.960 0.004 0.000 0.320 213 G HA3 0.773 4.735 3.960 0.004 0.000 0.320 213 G C -1.108 173.846 174.900 0.091 0.000 1.204 213 G CA -0.440 44.719 45.100 0.098 0.000 0.923 213 G HN 0.743 nan 8.290 nan 0.000 0.466 214 A N 2.926 125.793 122.820 0.078 0.000 2.427 214 A HA 0.727 5.049 4.320 0.004 0.000 0.298 214 A C -0.904 176.720 177.584 0.067 0.000 1.036 214 A CA -0.905 51.173 52.037 0.068 0.000 0.701 214 A CB 1.499 20.534 19.000 0.059 0.000 1.250 214 A HN 0.525 nan 8.150 nan 0.000 0.412 215 N N 1.130 119.872 118.700 0.071 0.000 2.479 215 N HA 0.518 5.261 4.740 0.004 0.000 0.261 215 N C 0.768 176.321 175.510 0.071 0.000 0.979 215 N CA 0.665 53.758 53.050 0.072 0.000 0.930 215 N CB 1.720 40.256 38.487 0.082 0.000 1.172 215 N HN 1.586 nan 8.380 nan 0.000 0.499 216 G N 1.129 109.967 108.800 0.063 0.000 2.176 216 G HA2 -0.237 3.725 3.960 0.004 0.000 0.253 216 G HA3 -0.237 3.725 3.960 0.004 0.000 0.253 216 G C -0.250 174.686 174.900 0.060 0.000 0.979 216 G CA 0.095 45.232 45.100 0.062 0.000 0.641 216 G HN 0.449 nan 8.290 nan 0.000 0.530 217 L N 0.779 122.036 121.223 0.057 0.000 2.354 217 L HA 0.710 5.052 4.340 0.004 0.000 0.264 217 L C 0.868 177.766 176.870 0.046 0.000 1.008 217 L CA -0.653 54.218 54.840 0.051 0.000 0.819 217 L CB 2.174 44.259 42.059 0.042 0.000 1.339 217 L HN 0.272 nan 8.230 nan 0.000 0.420 218 T N -2.652 111.928 114.554 0.044 0.000 2.904 218 T HA 0.279 4.632 4.350 0.004 0.000 0.290 218 T C -2.036 172.691 174.700 0.045 0.000 1.018 218 T CA -1.681 60.444 62.100 0.042 0.000 1.075 218 T CB 1.384 70.275 68.868 0.038 0.000 0.986 218 T HN 0.303 nan 8.240 nan 0.000 0.523 219 P HA -0.172 nan 4.420 nan 0.000 0.216 219 P C 1.919 179.253 177.300 0.058 0.000 1.154 219 P CA 1.102 64.233 63.100 0.053 0.000 0.865 219 P CB 0.049 31.776 31.700 0.045 0.000 0.789 220 Q N -0.689 119.141 119.800 0.050 0.000 2.170 220 Q HA -0.189 4.153 4.340 0.004 0.000 0.203 220 Q C 2.173 178.208 176.000 0.058 0.000 0.976 220 Q CA 1.546 57.380 55.803 0.053 0.000 0.858 220 Q CB -0.364 28.400 28.738 0.043 0.000 0.907 220 Q HN 0.482 nan 8.270 nan 0.000 0.433 221 Q N -0.642 119.189 119.800 0.051 0.000 2.172 221 Q HA -0.078 4.265 4.340 0.004 0.000 0.200 221 Q C 2.196 178.211 176.000 0.026 0.000 0.964 221 Q CA 1.012 56.843 55.803 0.048 0.000 0.855 221 Q CB 0.156 28.924 28.738 0.049 0.000 0.918 221 Q HN 0.142 nan 8.270 nan 0.000 0.444 222 V N 1.144 121.079 119.914 0.034 0.000 2.237 222 V HA -0.287 3.835 4.120 0.004 0.000 0.245 222 V C 2.213 178.419 176.094 0.186 0.000 1.046 222 V CA 1.641 63.972 62.300 0.052 0.000 1.007 222 V CB -0.687 31.195 31.823 0.098 0.000 0.638 222 V HN 0.364 nan 8.190 nan 0.000 0.445 223 L N -0.007 121.330 121.223 0.189 0.000 2.010 223 L HA -0.302 4.041 4.340 0.004 0.000 0.219 223 L C 2.347 179.347 176.870 0.216 0.000 1.077 223 L CA 2.129 57.100 54.840 0.218 0.000 0.773 223 L CB -0.870 41.260 42.059 0.119 0.000 0.892 223 L HN 0.424 nan 8.230 nan 0.000 0.436 224 D N -0.306 120.171 120.400 0.128 0.000 2.312 224 D HA -0.085 4.558 4.640 0.004 0.000 0.211 224 D C 2.038 178.408 176.300 0.116 0.000 0.964 224 D CA 1.155 55.221 54.000 0.109 0.000 0.877 224 D CB 0.032 40.883 40.800 0.084 0.000 0.924 224 D HN 0.444 nan 8.370 nan 0.000 0.515 225 G N 0.185 109.010 108.800 0.043 0.000 2.450 225 G HA2 -0.239 3.724 3.960 0.004 0.000 0.220 225 G HA3 -0.239 3.724 3.960 0.004 0.000 0.220 225 G C 1.252 176.048 174.900 -0.174 0.000 1.130 225 G CA 0.381 45.421 45.100 -0.101 0.000 0.760 225 G HN 0.232 nan 8.290 nan 0.000 0.557 226 F N 0.579 120.552 119.950 0.038 0.000 2.505 226 F HA 0.590 5.119 4.527 0.004 0.000 0.289 226 F C 1.240 177.014 175.800 -0.043 0.000 1.101 226 F CA 0.535 58.534 58.000 -0.001 0.000 1.446 226 F CB 0.417 39.410 39.000 -0.012 0.000 1.123 226 F HN 0.276 nan 8.300 nan 0.000 0.564 227 A N -0.886 122.025 122.820 0.152 0.000 2.612 227 A HA 0.338 4.660 4.320 0.004 0.000 0.293 227 A C -1.607 176.002 177.584 0.042 0.000 1.075 227 A CA -0.747 51.324 52.037 0.056 0.000 0.680 227 A CB 0.634 19.666 19.000 0.053 0.000 1.279 227 A HN -0.075 nan 8.150 nan 0.000 0.411 228 D N 1.072 121.475 120.400 0.005 0.000 2.346 228 D HA 0.103 4.745 4.640 0.004 0.000 0.260 228 D C 0.457 176.764 176.300 0.012 0.000 1.252 228 D CA 0.057 54.061 54.000 0.007 0.000 0.895 228 D CB 0.979 41.771 40.800 -0.013 0.000 1.097 228 D HN 0.382 nan 8.370 nan 0.000 0.489 229 Q N 2.761 122.578 119.800 0.027 0.000 2.488 229 Q HA -0.142 4.200 4.340 0.004 0.000 0.211 229 Q C 1.488 177.498 176.000 0.016 0.000 0.967 229 Q CA 0.376 56.196 55.803 0.028 0.000 0.926 229 Q CB 0.057 28.820 28.738 0.041 0.000 0.992 229 Q HN 0.617 nan 8.270 nan 0.000 0.506 230 Q N 1.715 121.520 119.800 0.008 0.000 2.077 230 Q HA -0.129 4.213 4.340 0.004 0.000 0.206 230 Q C -0.873 175.123 176.000 -0.007 0.000 0.989 230 Q CA 1.851 57.654 55.803 0.001 0.000 0.853 230 Q CB -0.930 27.805 28.738 -0.005 0.000 0.907 230 Q HN 0.236 nan 8.270 nan 0.000 0.418 231 P HA 0.080 nan 4.420 nan 0.000 0.234 231 P C -0.810 176.475 177.300 -0.025 0.000 1.167 231 P CA 0.919 64.003 63.100 -0.026 0.000 0.763 231 P CB -0.144 31.532 31.700 -0.039 0.000 0.835 232 A N 0.259 123.075 122.820 -0.007 0.000 2.351 232 A HA 0.457 4.779 4.320 0.004 0.000 0.257 232 A C 0.766 178.352 177.584 0.003 0.000 1.087 232 A CA -0.141 51.900 52.037 0.005 0.000 0.798 232 A CB 0.079 19.104 19.000 0.042 0.000 1.033 232 A HN 0.228 nan 8.150 nan 0.000 0.488 233 S N 1.410 117.101 115.700 -0.015 0.000 2.713 233 S HA 0.684 5.156 4.470 0.004 0.000 0.283 233 S C -2.863 171.796 174.600 0.099 0.000 1.161 233 S CA -1.552 56.644 58.200 -0.007 0.000 0.999 233 S CB 0.478 63.623 63.200 -0.093 0.000 1.039 233 S HN 0.471 nan 8.310 nan 0.000 0.548 234 P HA 0.229 nan 4.420 nan 0.000 0.265 234 P C 0.931 178.351 177.300 0.199 0.000 1.187 234 P CA 1.373 64.543 63.100 0.117 0.000 0.766 234 P CB -0.054 31.692 31.700 0.076 0.000 0.820 235 G N 0.813 109.671 108.800 0.095 0.000 2.203 235 G HA2 -0.240 3.723 3.960 0.004 0.000 0.263 235 G HA3 -0.240 3.723 3.960 0.004 0.000 0.263 235 G C -0.135 174.657 174.900 -0.179 0.000 1.012 235 G CA 0.222 45.313 45.100 -0.014 0.000 0.749 235 G HN 0.698 nan 8.290 nan 0.000 0.512 236 H N -0.687 118.388 119.070 0.009 0.000 2.865 236 H HA 0.817 5.376 4.556 0.004 0.000 0.372 236 H C 0.315 175.640 175.328 -0.006 0.000 1.173 236 H CA 0.237 56.283 56.048 -0.004 0.000 1.147 236 H CB 1.981 31.733 29.762 -0.017 0.000 1.805 236 H HN 0.638 nan 8.280 nan 0.000 0.553 237 A N 1.365 124.239 122.820 0.090 0.000 2.437 237 A HA 0.669 4.991 4.320 0.004 0.000 0.292 237 A C -1.350 176.248 177.584 0.024 0.000 1.173 237 A CA -0.649 51.417 52.037 0.050 0.000 0.785 237 A CB 1.193 20.215 19.000 0.036 0.000 1.351 237 A HN 0.498 nan 8.150 nan 0.000 0.431 238 I N 2.156 122.738 120.570 0.019 0.000 2.328 238 I HA 0.331 4.504 4.170 0.004 0.000 0.287 238 I C 0.113 176.234 176.117 0.006 0.000 1.012 238 I CA -0.176 61.129 61.300 0.009 0.000 1.195 238 I CB 0.220 38.223 38.000 0.006 0.000 1.350 238 I HN 0.655 nan 8.210 nan 0.000 0.464 239 I N 4.658 125.223 120.570 -0.008 0.000 2.793 239 I HA 0.838 5.011 4.170 0.004 0.000 0.313 239 I C 0.184 176.302 176.117 0.002 0.000 0.998 239 I CA -0.493 60.776 61.300 -0.051 0.000 1.140 239 I CB 2.027 39.972 38.000 -0.092 0.000 1.327 239 I HN 0.664 nan 8.210 nan 0.000 0.491 240 C N 3.933 123.212 119.300 -0.036 0.000 3.108 240 C HA 0.905 5.368 4.460 0.004 0.000 0.321 240 C C -0.593 174.389 174.990 -0.012 0.000 1.357 240 C CA -0.758 58.264 59.018 0.006 0.000 1.562 240 C CB 1.775 29.522 27.740 0.013 0.000 2.003 240 C HN 1.118 nan 8.230 nan 0.000 0.460 241 M N 1.618 121.208 119.600 -0.017 0.000 2.415 241 M HA 0.249 4.731 4.480 0.004 0.000 0.292 241 M C -1.171 175.133 176.300 0.006 0.000 1.107 241 M CA -0.163 55.145 55.300 0.014 0.000 0.927 241 M CB 1.277 33.919 32.600 0.070 0.000 1.808 241 M HN 1.159 nan 8.290 nan 0.000 0.509 242 H N 5.232 124.311 119.070 0.016 0.000 3.195 242 H HA 0.019 4.578 4.556 0.004 0.000 0.302 242 H C -2.001 173.320 175.328 -0.011 0.000 0.950 242 H CA 0.358 56.473 56.048 0.113 0.000 1.398 242 H CB 0.748 30.642 29.762 0.220 0.000 1.377 242 H HN 0.373 nan 8.280 nan 0.000 0.572 243 P HA -0.128 nan 4.420 nan 0.000 0.221 243 P C 1.703 178.975 177.300 -0.047 0.000 1.150 243 P CA 0.502 63.678 63.100 0.128 0.000 0.800 243 P CB 0.368 32.211 31.700 0.238 0.000 0.787 244 V N 0.007 119.785 119.914 -0.226 0.000 2.358 244 V HA -0.249 3.874 4.120 0.004 0.000 0.246 244 V C 2.766 178.749 176.094 -0.184 0.000 1.047 244 V CA 1.972 64.025 62.300 -0.412 0.000 1.035 244 V CB -1.221 30.085 31.823 -0.862 0.000 0.658 244 V HN 0.125 nan 8.190 nan 0.000 0.452 245 Q N 0.888 120.613 119.800 -0.126 0.000 2.084 245 Q HA -0.160 4.182 4.340 0.004 0.000 0.202 245 Q C 2.124 178.142 176.000 0.031 0.000 0.978 245 Q CA 2.310 58.090 55.803 -0.039 0.000 0.844 245 Q CB -0.597 28.134 28.738 -0.012 0.000 0.898 245 Q HN 0.563 nan 8.270 nan 0.000 0.426 246 A N 0.159 122.993 122.820 0.022 0.000 1.940 246 A HA -0.258 4.065 4.320 0.004 0.000 0.219 246 A C 2.046 179.678 177.584 0.081 0.000 1.176 246 A CA 1.676 53.757 52.037 0.074 0.000 0.631 246 A CB -0.643 18.156 19.000 -0.335 0.000 0.814 246 A HN 0.458 nan 8.150 nan 0.000 0.446 247 Q N -0.076 119.729 119.800 0.008 0.000 2.020 247 Q HA -0.139 4.203 4.340 0.004 0.000 0.202 247 Q C 2.256 178.315 176.000 0.099 0.000 0.982 247 Q CA 1.625 57.466 55.803 0.063 0.000 0.838 247 Q CB -0.638 28.133 28.738 0.055 0.000 0.899 247 Q HN 0.757 nan 8.270 nan 0.000 0.423 248 L N -0.616 120.659 121.223 0.087 0.000 1.994 248 L HA -0.154 4.188 4.340 0.004 0.000 0.208 248 L C 2.408 179.372 176.870 0.156 0.000 1.071 248 L CA 1.317 56.222 54.840 0.108 0.000 0.745 248 L CB -0.808 41.299 42.059 0.080 0.000 0.892 248 L HN 0.107 nan 8.230 nan 0.000 0.431 249 F N 0.802 120.744 119.950 -0.014 0.000 2.115 249 F HA -0.313 4.216 4.527 0.004 0.000 0.300 249 F C 2.448 178.277 175.800 0.049 0.000 1.092 249 F CA 1.706 59.683 58.000 -0.038 0.000 1.245 249 F CB -0.094 38.817 39.000 -0.149 0.000 0.995 249 F HN -0.027 nan 8.300 nan 0.000 0.481 250 M N -0.251 119.373 119.600 0.040 0.000 2.659 250 M HA -0.126 4.356 4.480 0.004 0.000 0.243 250 M C 1.838 178.133 176.300 -0.009 0.000 1.111 250 M CA 0.740 56.019 55.300 -0.035 0.000 1.070 250 M CB -0.257 32.413 32.600 0.118 0.000 1.525 250 M HN 0.313 nan 8.290 nan 0.000 0.517 251 Q N 0.262 120.079 119.800 0.027 0.000 2.170 251 Q HA -0.106 4.237 4.340 0.004 0.000 0.203 251 Q C 0.692 176.686 176.000 -0.010 0.000 0.976 251 Q CA 0.747 56.568 55.803 0.030 0.000 0.858 251 Q CB 0.091 28.867 28.738 0.064 0.000 0.907 251 Q HN 0.439 nan 8.270 nan 0.000 0.433 252 D N -1.306 119.073 120.400 -0.036 0.000 2.304 252 D HA 0.124 4.766 4.640 0.004 0.000 0.247 252 D C 0.349 176.568 176.300 -0.135 0.000 1.089 252 D CA 0.128 54.066 54.000 -0.104 0.000 0.910 252 D CB 1.468 42.193 40.800 -0.125 0.000 1.199 252 D HN 0.102 nan 8.370 nan 0.000 0.426 253 A N 4.629 127.360 122.820 -0.148 0.000 1.969 253 A HA -0.151 4.171 4.320 0.004 0.000 0.218 253 A C 2.088 179.624 177.584 -0.080 0.000 1.169 253 A CA 1.032 53.009 52.037 -0.100 0.000 0.635 253 A CB -0.086 18.856 19.000 -0.096 0.000 0.810 253 A HN 0.657 nan 8.150 nan 0.000 0.445 254 R N -0.667 119.753 120.500 -0.133 0.000 2.075 254 R HA -0.061 4.281 4.340 0.004 0.000 0.232 254 R C 1.996 178.385 176.300 0.148 0.000 1.126 254 R CA 1.458 57.560 56.100 0.004 0.000 0.963 254 R CB -0.471 29.787 30.300 -0.070 0.000 0.858 254 R HN 0.395 nan 8.270 nan 0.000 0.435 255 V N 1.044 120.951 119.914 -0.011 0.000 2.307 255 V HA -0.228 3.894 4.120 0.004 0.000 0.245 255 V C 2.361 178.453 176.094 -0.003 0.000 1.045 255 V CA 1.550 63.819 62.300 -0.051 0.000 1.024 255 V CB -0.544 30.979 31.823 -0.500 0.000 0.651 255 V HN 0.291 nan 8.190 nan 0.000 0.449 256 Q N -0.004 119.780 119.800 -0.027 0.000 2.112 256 Q HA -0.305 4.037 4.340 0.004 0.000 0.206 256 Q C 2.314 178.337 176.000 0.038 0.000 0.987 256 Q CA 2.192 58.000 55.803 0.009 0.000 0.858 256 Q CB -0.390 28.346 28.738 -0.002 0.000 0.905 256 Q HN 0.694 nan 8.270 nan 0.000 0.420 257 Q N 0.542 120.369 119.800 0.045 0.000 2.167 257 Q HA -0.067 4.275 4.340 0.004 0.000 0.202 257 Q C 1.955 178.003 176.000 0.081 0.000 0.970 257 Q CA 1.027 56.863 55.803 0.056 0.000 0.855 257 Q CB -0.131 28.639 28.738 0.053 0.000 0.911 257 Q HN 0.391 nan 8.270 nan 0.000 0.438 258 L N -0.781 120.513 121.223 0.117 0.000 2.179 258 L HA -0.066 4.276 4.340 0.004 0.000 0.208 258 L C 2.139 179.072 176.870 0.104 0.000 1.096 258 L CA 0.522 55.440 54.840 0.131 0.000 0.779 258 L CB -0.366 41.810 42.059 0.195 0.000 0.922 258 L HN 0.216 nan 8.230 nan 0.000 0.443 259 L N -0.495 120.786 121.223 0.098 0.000 2.017 259 L HA -0.190 4.153 4.340 0.004 0.000 0.208 259 L C 2.847 179.759 176.870 0.070 0.000 1.073 259 L CA 1.365 56.262 54.840 0.094 0.000 0.745 259 L CB -0.504 41.617 42.059 0.102 0.000 0.894 259 L HN 0.208 nan 8.230 nan 0.000 0.432 260 R N -0.132 120.403 120.500 0.058 0.000 2.115 260 R HA -0.125 4.218 4.340 0.004 0.000 0.230 260 R C 1.254 177.580 176.300 0.043 0.000 1.111 260 R CA 1.166 57.292 56.100 0.045 0.000 0.976 260 R CB -0.225 30.096 30.300 0.036 0.000 0.870 260 R HN 0.376 nan 8.270 nan 0.000 0.445 261 D N 0.168 120.599 120.400 0.052 0.000 2.340 261 D HA 0.004 4.646 4.640 0.004 0.000 0.220 261 D C -0.001 176.332 176.300 0.055 0.000 1.039 261 D CA 0.176 54.206 54.000 0.050 0.000 0.866 261 D CB -0.019 40.815 40.800 0.056 0.000 0.913 261 D HN 0.122 nan 8.370 nan 0.000 0.523 262 N N -0.059 118.675 118.700 0.056 0.000 2.693 262 N HA -0.165 4.578 4.740 0.004 0.000 0.249 262 N C 1.171 176.724 175.510 0.071 0.000 1.119 262 N CA 0.346 53.428 53.050 0.053 0.000 0.717 262 N CB -1.505 37.002 38.487 0.033 0.000 1.071 262 N HN 0.179 nan 8.380 nan 0.000 0.555 263 V N 0.165 120.133 119.914 0.089 0.000 2.379 263 V HA -0.039 4.083 4.120 0.004 0.000 0.245 263 V C 1.518 177.670 176.094 0.096 0.000 1.044 263 V CA 1.917 64.288 62.300 0.118 0.000 1.036 263 V CB -0.249 31.657 31.823 0.139 0.000 0.664 263 V HN 0.551 nan 8.190 nan 0.000 0.453 264 I N -2.056 118.546 120.570 0.052 0.000 2.797 264 I HA 0.654 4.827 4.170 0.004 0.000 0.307 264 I C -0.338 175.828 176.117 0.082 0.000 1.033 264 I CA -1.010 60.291 61.300 0.003 0.000 1.071 264 I CB 2.083 40.014 38.000 -0.116 0.000 1.255 264 I HN -0.133 nan 8.210 nan 0.000 0.445 265 R N 1.823 122.383 120.500 0.100 0.000 2.670 265 R HA 0.331 4.673 4.340 0.004 0.000 0.289 265 R C -1.428 174.974 176.300 0.170 0.000 0.965 265 R CA -0.800 55.362 56.100 0.103 0.000 0.899 265 R CB 1.782 32.090 30.300 0.013 0.000 1.173 265 R HN 0.693 nan 8.270 nan 0.000 0.456 266 D N 3.156 123.630 120.400 0.123 0.000 2.313 266 D HA 0.121 4.763 4.640 0.004 0.000 0.239 266 D C 0.258 176.455 176.300 -0.172 0.000 1.142 266 D CA -0.186 53.775 54.000 -0.065 0.000 0.847 266 D CB 0.977 41.823 40.800 0.077 0.000 1.082 266 D HN 0.431 nan 8.370 nan 0.000 0.480 267 L N 3.304 124.331 121.223 -0.325 0.000 2.700 267 L HA 0.383 4.725 4.340 0.004 0.000 0.234 267 L C 1.521 178.155 176.870 -0.393 0.000 1.156 267 L CA -0.142 54.533 54.840 -0.275 0.000 0.946 267 L CB -0.524 41.401 42.059 -0.223 0.000 1.216 267 L HN 0.679 nan 8.230 nan 0.000 0.493 268 G N 0.871 109.311 108.800 -0.600 0.000 2.601 268 G HA2 -0.321 3.642 3.960 0.004 0.000 0.252 268 G HA3 -0.321 3.642 3.960 0.004 0.000 0.252 268 G C -0.154 174.171 174.900 -0.959 0.000 1.294 268 G CA -0.361 44.263 45.100 -0.793 0.000 0.912 268 G HN 0.343 nan 8.290 nan 0.000 0.574 269 Q N 0.854 120.334 119.800 -0.533 0.000 2.566 269 Q HA 0.482 4.824 4.340 0.004 0.000 0.221 269 Q C 0.790 176.656 176.000 -0.222 0.000 1.195 269 Q CA 0.362 55.973 55.803 -0.320 0.000 0.967 269 Q CB 0.335 28.995 28.738 -0.130 0.000 1.337 269 Q HN 0.794 nan 8.270 nan 0.000 0.553 270 S N -0.902 114.659 115.700 -0.230 0.000 2.817 270 S HA 0.228 4.701 4.470 0.004 0.000 0.262 270 S C 0.718 175.232 174.600 -0.144 0.000 1.051 270 S CA -0.333 57.767 58.200 -0.167 0.000 1.185 270 S CB 0.799 63.899 63.200 -0.166 0.000 1.152 270 S HN 0.458 nan 8.310 nan 0.000 0.653 271 G N 1.663 110.367 108.800 -0.160 0.000 2.588 271 G HA2 0.485 4.448 3.960 0.004 0.000 0.281 271 G HA3 0.485 4.448 3.960 0.004 0.000 0.281 271 G C -0.290 174.520 174.900 -0.151 0.000 1.236 271 G CA -1.214 43.799 45.100 -0.146 0.000 0.969 271 G HN 0.402 nan 8.290 nan 0.000 0.504 272 R N -1.048 119.356 120.500 -0.160 0.000 2.500 272 R HA 0.005 4.348 4.340 0.004 0.000 0.281 272 R C -0.237 175.964 176.300 -0.165 0.000 0.953 272 R CA -0.139 55.857 56.100 -0.174 0.000 1.108 272 R CB 0.056 30.218 30.300 -0.230 0.000 0.901 272 R HN 0.140 nan 8.270 nan 0.000 0.410 273 V N 2.732 122.577 119.914 -0.114 0.000 2.521 273 V HA 0.355 4.477 4.120 0.004 0.000 0.286 273 V C 0.690 176.770 176.094 -0.023 0.000 1.034 273 V CA 0.199 62.464 62.300 -0.060 0.000 1.045 273 V CB 0.723 32.527 31.823 -0.031 0.000 0.974 273 V HN 0.942 nan 8.190 nan 0.000 0.480 274 A N 4.201 127.070 122.820 0.082 0.000 2.530 274 A HA 0.887 5.210 4.320 0.004 0.000 0.288 274 A C -0.486 177.373 177.584 0.459 0.000 1.172 274 A CA -0.648 51.527 52.037 0.229 0.000 0.733 274 A CB 1.968 21.118 19.000 0.250 0.000 1.320 274 A HN 0.626 nan 8.150 nan 0.000 0.419 275 S N 2.268 118.233 115.700 0.441 0.000 2.498 275 S HA 0.656 5.128 4.470 0.004 0.000 0.317 275 S C -2.764 171.937 174.600 0.169 0.000 1.090 275 S CA -1.051 57.332 58.200 0.304 0.000 1.089 275 S CB 1.460 64.811 63.200 0.251 0.000 0.997 275 S HN 0.569 nan 8.310 nan 0.000 0.470 276 P HA 0.166 nan 4.420 nan 0.000 0.270 276 P C 0.050 177.274 177.300 -0.126 0.000 1.223 276 P CA -0.176 62.636 63.100 -0.481 0.000 0.785 276 P CB 0.373 31.689 31.700 -0.641 0.000 0.923 277 T N -3.174 111.328 114.554 -0.087 0.000 2.919 277 T HA 0.562 4.914 4.350 0.004 0.000 0.282 277 T C 1.422 176.094 174.700 -0.047 0.000 1.020 277 T CA -0.151 61.932 62.100 -0.028 0.000 0.994 277 T CB 0.649 69.565 68.868 0.080 0.000 1.180 277 T HN 0.269 nan 8.240 nan 0.000 0.566 278 A N 0.885 123.673 122.820 -0.054 0.000 1.986 278 A HA -0.068 4.254 4.320 0.004 0.000 0.220 278 A C 2.401 179.975 177.584 -0.018 0.000 1.171 278 A CA 2.407 54.418 52.037 -0.044 0.000 0.640 278 A CB -1.552 17.409 19.000 -0.065 0.000 0.811 278 A HN 1.314 nan 8.150 nan 0.000 0.451 279 S N -1.283 114.412 115.700 -0.008 0.000 2.607 279 S HA 0.133 4.605 4.470 0.004 0.000 0.224 279 S C 1.186 175.796 174.600 0.016 0.000 0.969 279 S CA 0.501 58.705 58.200 0.006 0.000 0.927 279 S CB -0.462 62.748 63.200 0.017 0.000 0.772 279 S HN 0.680 nan 8.310 nan 0.000 0.533 280 I N 0.129 120.703 120.570 0.006 0.000 4.407 280 I HA -0.386 3.786 4.170 0.004 0.000 0.066 280 I C 1.483 177.621 176.117 0.035 0.000 0.591 280 I CA 2.358 63.687 61.300 0.047 0.000 1.050 280 I CB -2.171 35.916 38.000 0.146 0.000 0.939 280 I HN 0.633 nan 8.210 nan 0.000 0.169 281 R N 1.605 122.165 120.500 0.101 0.000 2.319 281 R HA 0.292 4.635 4.340 0.004 0.000 0.204 281 R C 0.210 176.627 176.300 0.195 0.000 0.954 281 R CA 0.670 56.904 56.100 0.223 0.000 1.066 281 R CB -0.514 29.911 30.300 0.208 0.000 0.991 281 R HN 0.393 nan 8.270 nan 0.000 0.486 282 T N 0.902 115.478 114.554 0.037 0.000 2.809 282 T HA 0.353 4.705 4.350 0.004 0.000 0.284 282 T C -1.363 173.420 174.700 0.137 0.000 0.992 282 T CA -0.524 61.682 62.100 0.176 0.000 0.957 282 T CB 0.583 69.531 68.868 0.133 0.000 0.942 282 T HN 0.206 nan 8.240 nan 0.000 0.439 283 W N 3.010 124.475 121.300 0.275 0.000 2.469 283 W HA 0.627 5.290 4.660 0.004 0.000 0.320 283 W C -0.302 176.445 176.519 0.381 0.000 1.086 283 W CA -1.248 56.259 57.345 0.270 0.000 1.211 283 W CB 0.546 30.090 29.460 0.141 0.000 1.298 283 W HN 0.571 nan 8.180 nan 0.000 0.525 284 F N 4.066 124.232 119.950 0.360 0.000 2.420 284 F HA 0.603 5.133 4.527 0.004 0.000 0.342 284 F C -0.619 175.219 175.800 0.062 0.000 1.113 284 F CA -0.856 57.213 58.000 0.115 0.000 1.059 284 F CB 0.515 39.596 39.000 0.134 0.000 1.128 284 F HN 0.079 nan 8.300 nan 0.000 0.475 285 I N 5.257 125.392 120.570 -0.725 0.000 2.389 285 I HA 0.174 4.347 4.170 0.004 0.000 0.288 285 I C -0.434 175.063 176.117 -1.033 0.000 0.999 285 I CA -0.499 60.429 61.300 -0.621 0.000 1.129 285 I CB 1.355 39.124 38.000 -0.386 0.000 1.288 285 I HN 0.533 nan 8.210 nan 0.000 0.444 286 D N 4.697 124.675 120.400 -0.705 0.000 2.506 286 D HA -0.002 4.641 4.640 0.004 0.000 0.234 286 D C -0.197 175.927 176.300 -0.293 0.000 1.143 286 D CA 0.964 54.716 54.000 -0.414 0.000 0.871 286 D CB 0.412 41.198 40.800 -0.023 0.000 1.190 286 D HN 0.501 nan 8.370 nan 0.000 0.459 287 D N 1.591 121.861 120.400 -0.217 0.000 2.697 287 D HA -0.256 4.387 4.640 0.004 0.000 0.235 287 D C -0.813 175.403 176.300 -0.141 0.000 1.167 287 D CA 0.912 54.821 54.000 -0.151 0.000 0.656 287 D CB -1.038 39.712 40.800 -0.083 0.000 1.025 287 D HN 0.472 nan 8.370 nan 0.000 0.419 288 H N -0.144 118.712 119.070 -0.357 0.000 2.690 288 H HA 0.146 4.704 4.556 0.004 0.000 0.368 288 H C 0.493 175.584 175.328 -0.395 0.000 1.150 288 H CA -0.804 55.050 56.048 -0.322 0.000 1.174 288 H CB 1.527 31.100 29.762 -0.314 0.000 1.684 288 H HN -0.242 nan 8.280 nan 0.000 0.538 289 D N 2.310 122.130 120.400 -0.965 0.000 2.265 289 D HA -0.098 4.545 4.640 0.004 0.000 0.208 289 D C -0.383 175.171 176.300 -1.243 0.000 0.977 289 D CA 1.528 54.862 54.000 -1.109 0.000 0.871 289 D CB 0.186 40.186 40.800 -1.334 0.000 0.925 289 D HN 0.342 nan 8.370 nan 0.000 0.485 290 Y N -1.825 118.198 120.300 -0.461 0.000 2.553 290 Y HA 0.362 4.914 4.550 0.004 0.000 0.347 290 Y C -0.242 175.598 175.900 -0.099 0.000 1.019 290 Y CA -1.291 56.697 58.100 -0.187 0.000 1.032 290 Y CB 1.112 39.467 38.460 -0.175 0.000 1.284 290 Y HN -0.350 nan 8.280 nan 0.000 0.466 291 F N 2.023 122.060 119.950 0.145 0.000 2.371 291 F HA 0.501 5.030 4.527 0.004 0.000 0.329 291 F C -0.002 175.883 175.800 0.141 0.000 1.107 291 F CA -0.396 57.701 58.000 0.161 0.000 1.137 291 F CB 0.670 39.773 39.000 0.171 0.000 1.214 291 F HN 0.143 nan 8.300 nan 0.000 0.536 292 I N 2.397 123.203 120.570 0.394 0.000 2.378 292 I HA 0.278 4.451 4.170 0.004 0.000 0.291 292 I C -0.520 175.854 176.117 0.429 0.000 0.992 292 I CA -0.685 60.801 61.300 0.310 0.000 1.154 292 I CB 1.652 39.790 38.000 0.229 0.000 1.315 292 I HN 0.471 nan 8.210 nan 0.000 0.448 293 K N 5.696 126.308 120.400 0.354 0.000 2.449 293 K HA 0.644 4.966 4.320 0.004 0.000 0.257 293 K C -0.335 176.436 176.600 0.284 0.000 0.989 293 K CA -0.392 56.074 56.287 0.299 0.000 0.916 293 K CB 1.274 33.881 32.500 0.179 0.000 1.136 293 K HN 0.769 nan 8.250 nan 0.000 0.439 294 G N 1.423 110.407 108.800 0.308 0.000 2.521 294 G HA2 0.281 4.244 3.960 0.004 0.000 0.323 294 G HA3 0.281 4.244 3.960 0.004 0.000 0.323 294 G C -0.823 174.164 174.900 0.145 0.000 1.211 294 G CA -0.744 44.485 45.100 0.216 0.000 0.979 294 G HN 0.562 nan 8.290 nan 0.000 0.490 295 S N -1.277 114.457 115.700 0.057 0.000 2.585 295 S HA 0.383 4.855 4.470 0.004 0.000 0.273 295 S C -0.558 174.064 174.600 0.037 0.000 1.339 295 S CA 0.006 58.213 58.200 0.011 0.000 1.028 295 S CB 0.967 64.123 63.200 -0.073 0.000 0.906 295 S HN 0.453 nan 8.310 nan 0.000 0.528 296 L N 3.846 125.075 121.223 0.010 0.000 2.573 296 L HA 0.391 4.733 4.340 0.004 0.000 0.260 296 L C -0.522 176.327 176.870 -0.035 0.000 0.997 296 L CA -0.197 54.632 54.840 -0.018 0.000 0.890 296 L CB 1.101 43.159 42.059 -0.002 0.000 1.179 296 L HN 0.500 nan 8.230 nan 0.000 0.439 297 N N 3.154 121.829 118.700 -0.041 0.000 3.210 297 N HA 0.228 4.970 4.740 0.004 0.000 0.314 297 N C -1.161 174.339 175.510 -0.015 0.000 1.291 297 N CA 0.322 53.356 53.050 -0.027 0.000 1.202 297 N CB -0.200 38.274 38.487 -0.023 0.000 1.475 297 N HN 0.329 nan 8.380 nan 0.000 0.554 298 V N 0.631 120.523 119.914 -0.037 0.000 2.925 298 V HA 0.387 4.510 4.120 0.004 0.000 0.311 298 V C 0.092 176.126 176.094 -0.099 0.000 1.104 298 V CA -1.078 61.183 62.300 -0.064 0.000 0.954 298 V CB 2.650 34.428 31.823 -0.076 0.000 1.022 298 V HN 0.168 nan 8.190 nan 0.000 0.427 299 R N 2.604 123.035 120.500 -0.115 0.000 2.210 299 R HA 0.527 4.869 4.340 0.004 0.000 0.338 299 R C -1.533 174.660 176.300 -0.177 0.000 1.062 299 R CA -0.401 55.634 56.100 -0.108 0.000 0.902 299 R CB 0.422 30.681 30.300 -0.067 0.000 1.050 299 R HN 0.510 nan 8.270 nan 0.000 0.461 300 I N 4.301 124.777 120.570 -0.157 0.000 2.389 300 I HA 0.209 4.381 4.170 0.004 0.000 0.288 300 I C 0.546 176.597 176.117 -0.110 0.000 0.999 300 I CA 0.469 61.659 61.300 -0.183 0.000 1.129 300 I CB 1.828 39.714 38.000 -0.190 0.000 1.288 300 I HN 0.863 nan 8.210 nan 0.000 0.444 301 T N 4.202 118.690 114.554 -0.110 0.000 14.167 301 T HA -0.284 4.068 4.350 0.004 0.000 0.419 301 T C 0.969 175.694 174.700 0.042 0.000 1.441 301 T CA 0.864 62.922 62.100 -0.071 0.000 2.332 301 T CB -0.680 68.103 68.868 -0.142 0.000 2.758 301 T HN 0.588 nan 8.240 nan 0.000 0.248 302 N N 1.564 120.321 118.700 0.095 0.000 2.336 302 N HA 0.305 5.047 4.740 0.004 0.000 0.189 302 N C -0.206 175.323 175.510 0.031 0.000 1.113 302 N CA 0.470 53.566 53.050 0.076 0.000 0.858 302 N CB -0.517 38.021 38.487 0.084 0.000 0.970 302 N HN 0.611 nan 8.380 nan 0.000 0.471 303 C N -1.330 117.979 119.300 0.015 0.000 3.291 303 C HA 0.501 4.963 4.460 0.004 0.000 0.316 303 C C 0.055 175.041 174.990 -0.006 0.000 1.391 303 C CA -1.156 57.869 59.018 0.012 0.000 1.394 303 C CB 1.472 29.227 27.740 0.025 0.000 1.744 303 C HN -0.134 nan 8.230 nan 0.000 0.461 304 V N 2.618 122.532 119.914 0.001 0.000 2.465 304 V HA 0.357 4.479 4.120 0.004 0.000 0.279 304 V C 0.343 176.431 176.094 -0.009 0.000 1.045 304 V CA -0.209 62.086 62.300 -0.009 0.000 0.938 304 V CB 0.846 32.672 31.823 0.004 0.000 0.986 304 V HN 0.765 nan 8.190 nan 0.000 0.467 305 R N 3.891 124.380 120.500 -0.018 0.000 4.231 305 R HA 0.304 4.646 4.340 0.004 0.000 0.250 305 R C -0.346 175.946 176.300 -0.012 0.000 1.600 305 R CA -0.239 55.856 56.100 -0.008 0.000 1.523 305 R CB -0.344 29.956 30.300 -0.001 0.000 1.422 305 R HN 0.620 nan 8.270 nan 0.000 0.759 306 K N 1.180 121.564 120.400 -0.028 0.000 2.156 306 K HA 0.257 4.579 4.320 0.004 0.000 0.271 306 K C -0.089 176.468 176.600 -0.070 0.000 0.995 306 K CA -0.831 55.423 56.287 -0.054 0.000 0.890 306 K CB 1.078 33.533 32.500 -0.074 0.000 1.073 306 K HN 0.015 nan 8.250 nan 0.000 0.454 307 N N 2.143 120.798 118.700 -0.075 0.000 2.406 307 N HA 0.047 4.790 4.740 0.004 0.000 0.265 307 N C -0.287 175.107 175.510 -0.193 0.000 1.203 307 N CA 0.055 53.040 53.050 -0.108 0.000 0.945 307 N CB 0.675 39.124 38.487 -0.063 0.000 1.165 307 N HN 0.651 nan 8.380 nan 0.000 0.485 308 A N 2.907 125.527 122.820 -0.334 0.000 2.386 308 A HA 0.065 4.388 4.320 0.004 0.000 0.246 308 A C 1.490 178.719 177.584 -0.592 0.000 1.089 308 A CA -0.634 51.053 52.037 -0.582 0.000 0.790 308 A CB 0.122 18.430 19.000 -1.154 0.000 1.042 308 A HN 0.873 nan 8.150 nan 0.000 0.497 309 W N 1.050 122.020 121.300 -0.550 0.000 2.388 309 W HA -0.257 4.405 4.660 0.004 0.000 0.294 309 W C 1.358 177.675 176.519 -0.337 0.000 1.212 309 W CA 1.822 58.940 57.345 -0.378 0.000 1.271 309 W CB -1.021 28.220 29.460 -0.366 0.000 1.126 309 W HN 0.901 nan 8.180 nan 0.000 0.535 310 Y N 0.620 120.154 120.300 -1.276 0.000 2.373 310 Y HA 0.149 4.701 4.550 0.004 0.000 0.293 310 Y C 2.133 177.750 175.900 -0.471 0.000 1.129 310 Y CA 1.395 58.798 58.100 -1.161 0.000 1.226 310 Y CB -1.287 36.332 38.460 -1.402 0.000 1.000 310 Y HN 0.002 nan 8.280 nan 0.000 0.549 311 E N 1.054 120.925 120.200 -0.547 0.000 2.150 311 E HA -0.090 4.262 4.350 0.004 0.000 0.193 311 E C 1.953 178.483 176.600 -0.116 0.000 0.985 311 E CA 1.092 57.364 56.400 -0.214 0.000 0.814 311 E CB -0.155 29.408 29.700 -0.229 0.000 0.752 311 E HN 0.531 nan 8.360 nan 0.000 0.466 312 L N 0.971 122.112 121.223 -0.137 0.000 2.141 312 L HA -0.152 4.190 4.340 0.004 0.000 0.209 312 L C 2.261 179.143 176.870 0.019 0.000 1.094 312 L CA 0.714 55.536 54.840 -0.030 0.000 0.763 312 L CB -0.203 41.847 42.059 -0.014 0.000 0.908 312 L HN 0.083 nan 8.230 nan 0.000 0.437 313 E N -0.007 120.198 120.200 0.007 0.000 2.072 313 E HA -0.146 4.207 4.350 0.004 0.000 0.190 313 E C 2.400 179.027 176.600 0.045 0.000 0.982 313 E CA 1.579 58.011 56.400 0.054 0.000 0.803 313 E CB -0.265 29.483 29.700 0.080 0.000 0.755 313 E HN 0.498 nan 8.360 nan 0.000 0.453 314 S N 0.457 116.168 115.700 0.018 0.000 2.402 314 S HA -0.094 4.378 4.470 0.004 0.000 0.229 314 S C 2.088 176.714 174.600 0.044 0.000 1.021 314 S CA 1.436 59.654 58.200 0.029 0.000 0.974 314 S CB -0.593 62.621 63.200 0.023 0.000 0.800 314 S HN 0.102 nan 8.310 nan 0.000 0.484 315 T N 3.008 117.602 114.554 0.067 0.000 2.635 315 T HA -0.117 4.235 4.350 0.004 0.000 0.267 315 T C 1.920 176.695 174.700 0.125 0.000 1.040 315 T CA 1.760 63.937 62.100 0.130 0.000 1.156 315 T CB -0.941 68.009 68.868 0.136 0.000 0.863 315 T HN 0.332 nan 8.240 nan 0.000 0.430 316 V N 1.945 121.920 119.914 0.101 0.000 2.250 316 V HA -0.226 3.896 4.120 0.004 0.000 0.250 316 V C 2.551 178.685 176.094 0.067 0.000 1.060 316 V CA 1.870 64.225 62.300 0.092 0.000 1.030 316 V CB -0.970 30.904 31.823 0.086 0.000 0.643 316 V HN 0.452 nan 8.190 nan 0.000 0.445 317 L N -1.007 120.245 121.223 0.048 0.000 2.093 317 L HA -0.129 4.214 4.340 0.004 0.000 0.208 317 L C 2.383 179.246 176.870 -0.012 0.000 1.085 317 L CA 1.503 56.360 54.840 0.027 0.000 0.755 317 L CB -0.497 41.582 42.059 0.033 0.000 0.904 317 L HN 0.278 nan 8.230 nan 0.000 0.435 318 I N 0.001 120.542 120.570 -0.049 0.000 2.439 318 I HA -0.255 3.917 4.170 0.004 0.000 0.251 318 I C 2.144 178.130 176.117 -0.218 0.000 1.139 318 I CA 1.313 62.521 61.300 -0.152 0.000 1.438 318 I CB -0.156 37.686 38.000 -0.264 0.000 1.085 318 I HN 0.255 nan 8.210 nan 0.000 0.427 319 D N 0.635 120.951 120.400 -0.139 0.000 2.149 319 D HA -0.187 4.455 4.640 0.004 0.000 0.201 319 D C 2.367 178.709 176.300 0.070 0.000 0.972 319 D CA 1.044 55.061 54.000 0.029 0.000 0.835 319 D CB 0.069 41.007 40.800 0.230 0.000 0.966 319 D HN 0.020 nan 8.370 nan 0.000 0.476 320 R N -0.384 120.142 120.500 0.044 0.000 2.070 320 R HA -0.136 4.206 4.340 0.004 0.000 0.233 320 R C 2.270 178.568 176.300 -0.004 0.000 1.137 320 R CA 1.195 57.316 56.100 0.035 0.000 0.945 320 R CB -0.517 29.803 30.300 0.033 0.000 0.845 320 R HN 0.273 nan 8.270 nan 0.000 0.430 321 L N 0.255 121.450 121.223 -0.047 0.000 2.042 321 L HA -0.151 4.191 4.340 0.004 0.000 0.210 321 L C 1.855 178.581 176.870 -0.241 0.000 1.076 321 L CA 1.791 56.532 54.840 -0.164 0.000 0.749 321 L CB -0.636 41.285 42.059 -0.231 0.000 0.893 321 L HN 0.123 nan 8.230 nan 0.000 0.432 322 F N -0.494 119.292 119.950 -0.272 0.000 2.234 322 F HA -0.105 4.424 4.527 0.004 0.000 0.299 322 F C 2.739 178.461 175.800 -0.130 0.000 1.087 322 F CA 1.381 59.239 58.000 -0.237 0.000 1.340 322 F CB -0.210 38.646 39.000 -0.240 0.000 1.031 322 F HN 0.047 nan 8.300 nan 0.000 0.500 323 R N 0.192 120.744 120.500 0.086 0.000 2.066 323 R HA -0.170 4.172 4.340 0.004 0.000 0.232 323 R C 2.157 178.458 176.300 0.002 0.000 1.131 323 R CA 1.591 57.730 56.100 0.064 0.000 0.955 323 R CB -0.199 30.146 30.300 0.074 0.000 0.851 323 R HN 0.313 nan 8.270 nan 0.000 0.432 324 Q N 0.268 120.040 119.800 -0.046 0.000 2.030 324 Q HA -0.192 4.150 4.340 0.004 0.000 0.204 324 Q C 2.271 178.201 176.000 -0.118 0.000 0.986 324 Q CA 1.905 57.669 55.803 -0.066 0.000 0.843 324 Q CB -0.200 28.483 28.738 -0.092 0.000 0.904 324 Q HN 0.335 nan 8.270 nan 0.000 0.420 325 L N 0.372 121.428 121.223 -0.278 0.000 1.956 325 L HA -0.271 4.071 4.340 0.004 0.000 0.216 325 L C 2.402 179.190 176.870 -0.136 0.000 1.073 325 L CA 1.280 55.906 54.840 -0.358 0.000 0.762 325 L CB -0.681 40.994 42.059 -0.639 0.000 0.889 325 L HN 0.297 nan 8.230 nan 0.000 0.433 326 L N -0.594 120.576 121.223 -0.089 0.000 2.263 326 L HA -0.270 4.072 4.340 0.004 0.000 0.216 326 L C 1.972 178.855 176.870 0.022 0.000 1.111 326 L CA 1.018 55.856 54.840 -0.003 0.000 0.773 326 L CB -0.403 41.685 42.059 0.048 0.000 0.906 326 L HN 0.386 nan 8.230 nan 0.000 0.439 327 D N -1.456 118.959 120.400 0.026 0.000 2.490 327 D HA -0.064 4.578 4.640 0.004 0.000 0.244 327 D C 2.169 178.510 176.300 0.068 0.000 0.979 327 D CA 0.790 54.816 54.000 0.044 0.000 0.924 327 D CB 0.331 41.156 40.800 0.041 0.000 1.075 327 D HN 0.175 nan 8.370 nan 0.000 0.488 328 Q N -0.879 118.994 119.800 0.123 0.000 2.226 328 Q HA 0.081 4.424 4.340 0.004 0.000 0.199 328 Q C 0.702 176.809 176.000 0.178 0.000 0.945 328 Q CA 0.807 56.717 55.803 0.179 0.000 0.861 328 Q CB 0.185 29.102 28.738 0.299 0.000 0.953 328 Q HN 0.245 nan 8.270 nan 0.000 0.490 329 H N -0.328 118.737 119.070 -0.008 0.000 2.524 329 H HA 0.430 4.988 4.556 0.004 0.000 0.299 329 H C 1.026 176.362 175.328 0.014 0.000 1.074 329 H CA 0.182 56.242 56.048 0.021 0.000 1.115 329 H CB -0.178 29.603 29.762 0.030 0.000 1.522 329 H HN 0.295 nan 8.280 nan 0.000 0.543 330 A N 0.766 123.642 122.820 0.093 0.000 1.894 330 A HA -0.299 4.024 4.320 0.004 0.000 0.220 330 A C 1.798 179.418 177.584 0.061 0.000 1.237 330 A CA 2.273 54.344 52.037 0.057 0.000 0.660 330 A CB -0.393 18.629 19.000 0.037 0.000 0.835 330 A HN 0.378 nan 8.150 nan 0.000 0.461 331 D N -0.619 119.812 120.400 0.051 0.000 2.311 331 D HA -0.096 4.547 4.640 0.004 0.000 0.212 331 D C 1.696 178.036 176.300 0.068 0.000 0.972 331 D CA 1.715 55.740 54.000 0.043 0.000 0.887 331 D CB -0.594 40.218 40.800 0.020 0.000 0.915 331 D HN 0.703 nan 8.370 nan 0.000 0.497 332 T N -2.627 112.001 114.554 0.124 0.000 3.105 332 T HA 0.234 4.586 4.350 0.004 0.000 0.253 332 T C 1.576 176.394 174.700 0.196 0.000 1.047 332 T CA -0.227 61.975 62.100 0.171 0.000 0.944 332 T CB -0.035 68.996 68.868 0.272 0.000 1.016 332 T HN 0.092 nan 8.240 nan 0.000 0.544 333 L N 0.653 121.953 121.223 0.128 0.000 2.640 333 L HA 0.395 4.737 4.340 0.004 0.000 0.230 333 L C 1.912 178.821 176.870 0.064 0.000 1.123 333 L CA 0.250 55.141 54.840 0.085 0.000 0.900 333 L CB -0.213 41.862 42.059 0.026 0.000 1.146 333 L HN 0.547 nan 8.230 nan 0.000 0.484 334 G N 0.574 109.410 108.800 0.059 0.000 2.187 334 G HA2 -0.280 3.682 3.960 0.004 0.000 0.261 334 G HA3 -0.280 3.682 3.960 0.004 0.000 0.261 334 G C 0.911 175.819 174.900 0.014 0.000 1.000 334 G CA 0.422 45.545 45.100 0.039 0.000 0.718 334 G HN 0.692 nan 8.290 nan 0.000 0.519 335 G N -1.978 106.830 108.800 0.014 0.000 2.164 335 G HA2 0.067 4.029 3.960 0.004 0.000 0.212 335 G HA3 0.067 4.029 3.960 0.004 0.000 0.212 335 G C 0.340 175.238 174.900 -0.003 0.000 1.031 335 G CA 0.361 45.461 45.100 -0.001 0.000 0.730 335 G HN 1.846 nan 8.290 nan 0.000 0.501 336 L N 0.748 121.980 121.223 0.016 0.000 2.490 336 L HA 0.583 4.925 4.340 0.004 0.000 0.274 336 L C 0.270 177.157 176.870 0.028 0.000 1.201 336 L CA 0.013 54.871 54.840 0.030 0.000 0.869 336 L CB 1.241 43.342 42.059 0.070 0.000 1.123 336 L HN 0.250 nan 8.230 nan 0.000 0.484 337 V N 4.931 124.850 119.914 0.008 0.000 2.531 337 V HA 0.892 5.014 4.120 0.004 0.000 0.301 337 V C -0.133 175.951 176.094 -0.016 0.000 1.034 337 V CA -0.177 62.120 62.300 -0.005 0.000 0.865 337 V CB 1.015 32.811 31.823 -0.045 0.000 0.995 337 V HN 1.049 nan 8.190 nan 0.000 0.424 338 A N 3.351 126.178 122.820 0.011 0.000 2.455 338 A HA 0.931 5.254 4.320 0.004 0.000 0.300 338 A C -0.194 177.370 177.584 -0.033 0.000 1.040 338 A CA -0.268 51.759 52.037 -0.017 0.000 0.697 338 A CB 1.652 20.692 19.000 0.068 0.000 1.265 338 A HN 1.516 nan 8.150 nan 0.000 0.407 339 A N 1.201 123.944 122.820 -0.128 0.000 2.440 339 A HA 0.638 4.961 4.320 0.004 0.000 0.251 339 A C 0.733 178.224 177.584 -0.155 0.000 1.089 339 A CA 0.427 52.424 52.037 -0.066 0.000 0.779 339 A CB -0.027 18.967 19.000 -0.011 0.000 1.022 339 A HN 2.253 nan 8.150 nan 0.000 0.492 340 A N 2.172 124.994 122.820 0.003 0.000 2.286 340 A HA 0.609 4.931 4.320 0.004 0.000 0.286 340 A C 0.109 177.692 177.584 -0.001 0.000 1.097 340 A CA -0.440 51.643 52.037 0.077 0.000 0.821 340 A CB 0.331 19.422 19.000 0.152 0.000 1.076 340 A HN 0.804 nan 8.150 nan 0.000 0.490 341 E N 1.244 121.506 120.200 0.102 0.000 3.374 341 E HA 0.187 4.539 4.350 0.004 0.000 0.223 341 E C -2.179 174.509 176.600 0.145 0.000 1.210 341 E CA -1.444 54.997 56.400 0.069 0.000 0.987 341 E CB 1.251 30.936 29.700 -0.024 0.000 1.322 341 E HN 0.478 nan 8.360 nan 0.000 0.404 342 P HA -0.008 nan 4.420 nan 0.000 0.227 342 P C 0.494 177.825 177.300 0.052 0.000 1.161 342 P CA 0.517 63.676 63.100 0.098 0.000 0.788 342 P CB 0.601 32.367 31.700 0.110 0.000 0.822 343 G N -1.071 107.732 108.800 0.006 0.000 2.612 343 G HA2 0.563 4.526 3.960 0.004 0.000 0.298 343 G HA3 0.563 4.526 3.960 0.004 0.000 0.298 343 G C -1.948 173.029 174.900 0.128 0.000 1.336 343 G CA -0.387 44.734 45.100 0.034 0.000 0.953 343 G HN -0.110 nan 8.290 nan 0.000 0.482 344 V N 0.727 120.746 119.914 0.176 0.000 2.697 344 V HA 0.539 4.662 4.120 0.004 0.000 0.300 344 V C -0.896 175.276 176.094 0.131 0.000 1.115 344 V CA -0.677 61.732 62.300 0.182 0.000 0.912 344 V CB 1.570 33.469 31.823 0.126 0.000 1.024 344 V HN 0.782 nan 8.190 nan 0.000 0.431 345 V N 5.346 125.277 119.914 0.029 0.000 2.680 345 V HA 1.007 5.129 4.120 0.004 0.000 0.309 345 V C -0.328 175.709 176.094 -0.095 0.000 1.052 345 V CA 0.311 62.557 62.300 -0.089 0.000 0.908 345 V CB 2.402 34.028 31.823 -0.329 0.000 1.001 345 V HN 1.182 nan 8.190 nan 0.000 0.431 346 S N 4.894 120.612 115.700 0.031 0.000 2.565 346 S HA 0.687 5.160 4.470 0.004 0.000 0.269 346 S C -1.719 173.048 174.600 0.279 0.000 1.153 346 S CA -0.739 57.517 58.200 0.092 0.000 0.835 346 S CB 1.572 64.805 63.200 0.054 0.000 1.122 346 S HN 1.199 nan 8.310 nan 0.000 0.462 347 W N 2.144 123.500 121.300 0.093 0.000 2.819 347 W HA 0.741 5.403 4.660 0.004 0.000 0.337 347 W C -0.817 175.808 176.519 0.177 0.000 1.077 347 W CA 0.079 57.502 57.345 0.131 0.000 1.226 347 W CB 2.095 31.571 29.460 0.026 0.000 1.419 347 W HN 1.227 nan 8.180 nan 0.000 0.502 348 S N 4.278 119.436 115.700 -0.904 0.000 2.570 348 S HA 0.662 5.135 4.470 0.004 0.000 0.270 348 S C -3.091 170.520 174.600 -1.649 0.000 1.149 348 S CA -1.680 55.763 58.200 -1.262 0.000 0.837 348 S CB 2.063 65.041 63.200 -0.370 0.000 1.124 348 S HN 0.224 nan 8.310 nan 0.000 0.465 349 P HA 0.246 nan 4.420 nan 0.000 0.264 349 P C 0.758 177.767 177.300 -0.485 0.000 1.193 349 P CA 0.022 62.622 63.100 -0.833 0.000 0.763 349 P CB 0.361 31.735 31.700 -0.543 0.000 0.810 350 A N 4.224 126.854 122.820 -0.317 0.000 2.024 350 A HA -0.120 4.202 4.320 0.004 0.000 0.220 350 A C 1.789 179.281 177.584 -0.153 0.000 1.164 350 A CA 2.010 53.922 52.037 -0.209 0.000 0.643 350 A CB -1.115 17.803 19.000 -0.137 0.000 0.806 350 A HN 0.547 nan 8.150 nan 0.000 0.451 351 A N -1.218 121.518 122.820 -0.140 0.000 2.460 351 A HA 0.673 4.995 4.320 0.004 0.000 0.258 351 A C 0.981 178.503 177.584 -0.104 0.000 1.300 351 A CA 0.500 52.477 52.037 -0.100 0.000 0.913 351 A CB -0.702 18.257 19.000 -0.068 0.000 1.031 351 A HN 0.848 nan 8.150 nan 0.000 0.512 352 A N -0.101 122.634 122.820 -0.142 0.000 2.351 352 A HA 0.583 4.906 4.320 0.004 0.000 0.257 352 A C 0.899 178.418 177.584 -0.108 0.000 1.087 352 A CA 0.258 52.225 52.037 -0.116 0.000 0.798 352 A CB -0.007 18.907 19.000 -0.143 0.000 1.033 352 A HN 0.754 nan 8.150 nan 0.000 0.488 353 G N -0.579 108.165 108.800 -0.092 0.000 2.580 353 G HA2 0.373 4.336 3.960 0.004 0.000 0.278 353 G HA3 0.373 4.336 3.960 0.004 0.000 0.278 353 G C 0.591 175.379 174.900 -0.186 0.000 1.212 353 G CA -0.022 45.008 45.100 -0.117 0.000 0.939 353 G HN 0.844 nan 8.290 nan 0.000 0.513 354 E N -0.700 119.348 120.200 -0.254 0.000 2.055 354 E HA -0.219 4.134 4.350 0.004 0.000 0.209 354 E C 2.596 178.882 176.600 -0.523 0.000 1.036 354 E CA 1.476 57.579 56.400 -0.495 0.000 0.849 354 E CB -0.183 29.264 29.700 -0.422 0.000 0.767 354 E HN 0.425 nan 8.360 nan 0.000 0.461 355 L N 0.966 122.044 121.223 -0.242 0.000 1.990 355 L HA -0.253 4.089 4.340 0.004 0.000 0.213 355 L C 2.240 179.107 176.870 -0.006 0.000 1.072 355 L CA 1.369 56.154 54.840 -0.093 0.000 0.755 355 L CB -0.342 41.701 42.059 -0.027 0.000 0.889 355 L HN 0.110 nan 8.230 nan 0.000 0.432 356 D N -1.275 119.125 120.400 -0.000 0.000 2.178 356 D HA -0.164 4.478 4.640 0.004 0.000 0.201 356 D C 2.344 178.822 176.300 0.296 0.000 0.980 356 D CA 1.442 55.530 54.000 0.148 0.000 0.842 356 D CB 0.049 40.927 40.800 0.130 0.000 0.948 356 D HN 0.205 nan 8.370 nan 0.000 0.472 357 S N -0.519 115.211 115.700 0.050 0.000 2.377 357 S HA -0.145 4.327 4.470 0.004 0.000 0.223 357 S C 1.822 176.462 174.600 0.067 0.000 1.030 357 S CA 0.731 58.931 58.200 0.001 0.000 0.970 357 S CB -0.120 62.959 63.200 -0.201 0.000 0.830 357 S HN 0.192 nan 8.310 nan 0.000 0.473 358 H N -0.593 118.416 119.070 -0.102 0.000 2.321 358 H HA -0.058 4.500 4.556 0.004 0.000 0.300 358 H C 1.635 177.025 175.328 0.104 0.000 1.087 358 H CA 1.453 57.403 56.048 -0.164 0.000 1.319 358 H CB -0.956 28.587 29.762 -0.364 0.000 1.379 358 H HN 0.697 nan 8.280 nan 0.000 0.501 359 W N 0.536 121.913 121.300 0.127 0.000 2.379 359 W HA -0.168 4.495 4.660 0.004 0.000 0.307 359 W C 1.941 178.501 176.519 0.068 0.000 1.200 359 W CA 1.109 58.498 57.345 0.073 0.000 1.297 359 W CB -0.770 28.691 29.460 0.001 0.000 1.140 359 W HN -0.021 nan 8.180 nan 0.000 0.507 360 F N 1.047 121.251 119.950 0.424 0.000 2.120 360 F HA -0.259 4.271 4.527 0.004 0.000 0.300 360 F C 2.569 178.355 175.800 -0.022 0.000 1.095 360 F CA 2.439 60.566 58.000 0.211 0.000 1.249 360 F CB -0.787 38.361 39.000 0.247 0.000 0.995 360 F HN -0.179 nan 8.300 nan 0.000 0.480 361 R N -0.133 120.455 120.500 0.147 0.000 2.115 361 R HA -0.130 4.213 4.340 0.004 0.000 0.230 361 R C 1.987 178.262 176.300 -0.042 0.000 1.111 361 R CA 1.418 57.538 56.100 0.034 0.000 0.976 361 R CB -0.369 29.917 30.300 -0.024 0.000 0.870 361 R HN 0.409 nan 8.270 nan 0.000 0.445 362 E N 0.142 120.289 120.200 -0.089 0.000 2.152 362 E HA -0.133 4.219 4.350 0.004 0.000 0.192 362 E C 2.003 178.442 176.600 -0.268 0.000 0.983 362 E CA 0.570 56.872 56.400 -0.163 0.000 0.818 362 E CB 0.172 29.781 29.700 -0.151 0.000 0.758 362 E HN 0.257 nan 8.360 nan 0.000 0.467 363 Q N -0.162 119.377 119.800 -0.435 0.000 2.167 363 Q HA -0.092 4.250 4.340 0.004 0.000 0.202 363 Q C 2.224 177.954 176.000 -0.451 0.000 0.970 363 Q CA 1.782 57.295 55.803 -0.484 0.000 0.855 363 Q CB -0.247 28.128 28.738 -0.606 0.000 0.911 363 Q HN 0.394 nan 8.270 nan 0.000 0.438 364 T N -3.148 111.201 114.554 -0.341 0.000 3.022 364 T HA 0.238 4.591 4.350 0.004 0.000 0.250 364 T C 1.049 175.645 174.700 -0.174 0.000 1.060 364 T CA 0.219 62.142 62.100 -0.294 0.000 1.013 364 T CB -0.099 68.692 68.868 -0.129 0.000 0.982 364 T HN 0.177 nan 8.240 nan 0.000 0.508 365 G N 0.708 109.431 108.800 -0.129 0.000 2.115 365 G HA2 0.405 4.367 3.960 0.004 0.000 0.244 365 G HA3 0.405 4.367 3.960 0.004 0.000 0.244 365 G C 0.213 175.066 174.900 -0.079 0.000 1.105 365 G CA -0.031 45.018 45.100 -0.084 0.000 0.893 365 G HN 0.722 nan 8.290 nan 0.000 0.443 366 G N 0.985 109.727 108.800 -0.096 0.000 2.617 366 G HA2 0.590 4.552 3.960 0.004 0.000 0.306 366 G HA3 0.590 4.552 3.960 0.004 0.000 0.306 366 G C -0.766 174.265 174.900 0.217 0.000 1.360 366 G CA -0.806 44.285 45.100 -0.015 0.000 0.983 366 G HN 0.678 nan 8.290 nan 0.000 0.496 367 I N 1.803 122.577 120.570 0.341 0.000 2.465 367 I HA 0.345 4.517 4.170 0.004 0.000 0.291 367 I C -0.248 176.024 176.117 0.259 0.000 1.014 367 I CA -0.687 60.785 61.300 0.286 0.000 1.093 367 I CB 2.208 40.298 38.000 0.149 0.000 1.267 367 I HN 0.108 nan 8.210 nan 0.000 0.431 368 L N 6.356 127.646 121.223 0.112 0.000 2.292 368 L HA 0.542 4.885 4.340 0.004 0.000 0.284 368 L C -0.001 176.887 176.870 0.030 0.000 1.065 368 L CA -0.381 54.386 54.840 -0.122 0.000 0.806 368 L CB 1.221 42.975 42.059 -0.507 0.000 1.175 368 L HN 0.585 nan 8.230 nan 0.000 0.431 369 R N 3.371 123.973 120.500 0.169 0.000 2.628 369 R HA 0.205 4.548 4.340 0.004 0.000 0.288 369 R C -0.509 176.036 176.300 0.408 0.000 0.980 369 R CA -0.693 55.530 56.100 0.205 0.000 0.891 369 R CB 1.796 32.145 30.300 0.080 0.000 1.188 369 R HN 0.664 nan 8.270 nan 0.000 0.450 370 E N 3.849 124.241 120.200 0.320 0.000 2.493 370 E HA -0.136 4.216 4.350 0.004 0.000 0.255 370 E C -0.702 176.021 176.600 0.206 0.000 0.999 370 E CA -0.035 56.494 56.400 0.215 0.000 0.934 370 E CB 0.538 30.325 29.700 0.143 0.000 0.940 370 E HN 0.444 nan 8.360 nan 0.000 0.473 371 N N 5.556 124.205 118.700 -0.085 0.000 2.454 371 N HA -0.106 4.637 4.740 0.004 0.000 0.285 371 N C 0.621 175.989 175.510 -0.236 0.000 1.233 371 N CA -0.124 52.732 53.050 -0.323 0.000 1.036 371 N CB -0.629 37.541 38.487 -0.529 0.000 1.423 371 N HN 0.542 nan 8.380 nan 0.000 0.495 372 F N 0.292 120.292 119.950 0.083 0.000 2.287 372 F HA -0.145 4.384 4.527 0.004 0.000 0.301 372 F C 2.029 177.798 175.800 -0.052 0.000 1.069 372 F CA 0.062 58.057 58.000 -0.007 0.000 1.372 372 F CB -1.083 37.905 39.000 -0.021 0.000 1.056 372 F HN 0.276 nan 8.300 nan 0.000 0.523 373 C N 1.491 120.665 119.300 -0.211 0.000 2.422 373 C HA -0.091 4.371 4.460 0.004 0.000 0.286 373 C C 2.794 177.767 174.990 -0.028 0.000 1.412 373 C CA 0.461 59.437 59.018 -0.069 0.000 1.786 373 C CB -1.219 26.452 27.740 -0.115 0.000 1.835 373 C HN 0.462 nan 8.230 nan 0.000 0.533 374 R N 0.869 121.325 120.500 -0.073 0.000 2.075 374 R HA -0.027 4.316 4.340 0.004 0.000 0.232 374 R C 2.192 178.477 176.300 -0.024 0.000 1.126 374 R CA 0.992 57.052 56.100 -0.067 0.000 0.963 374 R CB -0.475 29.749 30.300 -0.127 0.000 0.858 374 R HN 0.610 nan 8.270 nan 0.000 0.435 375 R N 0.307 120.812 120.500 0.007 0.000 2.055 375 R HA -0.043 4.299 4.340 0.004 0.000 0.226 375 R C 2.425 178.746 176.300 0.036 0.000 1.135 375 R CA 1.897 58.011 56.100 0.024 0.000 0.959 375 R CB -0.430 29.896 30.300 0.043 0.000 0.854 375 R HN 0.363 nan 8.270 nan 0.000 0.431 376 T N -2.115 112.483 114.554 0.073 0.000 3.023 376 T HA 0.137 4.489 4.350 0.004 0.000 0.266 376 T C 0.911 175.641 174.700 0.051 0.000 1.093 376 T CA 0.471 62.614 62.100 0.070 0.000 1.129 376 T CB 0.076 69.018 68.868 0.123 0.000 0.899 376 T HN 0.440 nan 8.240 nan 0.000 0.491 377 G N 0.489 109.321 108.800 0.054 0.000 3.137 377 G HA2 0.199 4.161 3.960 0.004 0.000 0.686 377 G HA3 0.199 4.161 3.960 0.004 0.000 0.686 377 G C 0.699 175.658 174.900 0.098 0.000 0.988 377 G CA -0.459 44.676 45.100 0.058 0.000 0.789 377 G HN 0.866 nan 8.290 nan 0.000 0.544 378 A N 1.439 124.336 122.820 0.127 0.000 1.908 378 A HA -0.013 4.309 4.320 0.004 0.000 0.218 378 A C 1.965 179.686 177.584 0.229 0.000 1.181 378 A CA 2.210 54.365 52.037 0.197 0.000 0.627 378 A CB -0.209 18.920 19.000 0.215 0.000 0.818 378 A HN 0.832 nan 8.150 nan 0.000 0.445 379 E N -0.887 119.425 120.200 0.188 0.000 2.502 379 E HA 0.000 4.352 4.350 0.004 0.000 0.194 379 E C 0.880 177.560 176.600 0.134 0.000 1.062 379 E CA 0.079 56.567 56.400 0.147 0.000 0.867 379 E CB 0.067 29.843 29.700 0.126 0.000 0.888 379 E HN 0.523 nan 8.360 nan 0.000 0.510 380 R N 0.127 120.671 120.500 0.074 0.000 2.546 380 R HA 0.237 4.580 4.340 0.004 0.000 0.320 380 R C -0.220 176.125 176.300 0.075 0.000 1.021 380 R CA 0.022 56.051 56.100 -0.118 0.000 1.088 380 R CB 1.016 31.197 30.300 -0.198 0.000 1.278 380 R HN -0.158 nan 8.270 nan 0.000 0.557 381 S N 1.031 116.872 115.700 0.235 0.000 2.571 381 S HA 0.560 5.032 4.470 0.004 0.000 0.284 381 S C -0.793 174.001 174.600 0.323 0.000 1.128 381 S CA -0.526 57.835 58.200 0.269 0.000 0.970 381 S CB 2.007 65.357 63.200 0.250 0.000 1.039 381 S HN 0.103 nan 8.310 nan 0.000 0.485 382 I N 2.909 123.621 120.570 0.236 0.000 2.548 382 I HA 0.304 4.476 4.170 0.004 0.000 0.287 382 I C -0.265 175.894 176.117 0.070 0.000 1.103 382 I CA -0.442 60.916 61.300 0.096 0.000 1.049 382 I CB 1.847 39.772 38.000 -0.126 0.000 1.232 382 I HN 0.482 nan 8.210 nan 0.000 0.429 383 M N 4.635 124.278 119.600 0.073 0.000 2.251 383 M HA 0.117 4.599 4.480 0.004 0.000 0.343 383 M C 1.104 177.357 176.300 -0.079 0.000 1.245 383 M CA 0.589 55.907 55.300 0.030 0.000 1.061 383 M CB 1.356 33.952 32.600 -0.006 0.000 1.723 383 M HN 0.916 nan 8.290 nan 0.000 0.449 384 A N 5.002 127.805 122.820 -0.028 0.000 1.898 384 A HA 0.009 4.331 4.320 0.004 0.000 0.216 384 A C 1.869 179.392 177.584 -0.101 0.000 1.181 384 A CA 1.733 53.741 52.037 -0.049 0.000 0.620 384 A CB -1.334 17.784 19.000 0.196 0.000 0.819 384 A HN 1.053 nan 8.150 nan 0.000 0.442 385 G N -0.361 108.401 108.800 -0.064 0.000 2.574 385 G HA2 -0.312 3.650 3.960 0.004 0.000 0.220 385 G HA3 -0.312 3.650 3.960 0.004 0.000 0.220 385 G C 1.607 176.450 174.900 -0.095 0.000 1.173 385 G CA 1.975 47.038 45.100 -0.062 0.000 0.772 385 G HN 0.467 nan 8.290 nan 0.000 0.585 386 T N 1.159 115.607 114.554 -0.176 0.000 2.737 386 T HA -0.090 4.262 4.350 0.004 0.000 0.265 386 T C 2.248 176.766 174.700 -0.304 0.000 1.038 386 T CA 1.058 63.012 62.100 -0.243 0.000 1.144 386 T CB -0.397 68.287 68.868 -0.307 0.000 0.866 386 T HN 0.120 nan 8.240 nan 0.000 0.434 387 L N 0.954 121.908 121.223 -0.448 0.000 2.064 387 L HA -0.131 4.212 4.340 0.004 0.000 0.216 387 L C 0.976 177.422 176.870 -0.706 0.000 1.077 387 L CA 1.851 56.253 54.840 -0.730 0.000 0.766 387 L CB -0.788 40.640 42.059 -1.051 0.000 0.890 387 L HN 0.274 nan 8.230 nan 0.000 0.435 388 F N -0.472 119.397 119.950 -0.135 0.000 2.750 388 F HA 0.556 5.085 4.527 0.004 0.000 0.297 388 F C 0.830 176.600 175.800 -0.051 0.000 1.138 388 F CA -0.135 57.805 58.000 -0.099 0.000 1.346 388 F CB -1.034 37.916 39.000 -0.084 0.000 0.965 388 F HN 0.065 nan 8.300 nan 0.000 0.514 389 A N 0.159 123.007 122.820 0.045 0.000 2.282 389 A HA 0.857 5.179 4.320 0.004 0.000 0.324 389 A C 0.114 177.777 177.584 0.133 0.000 1.119 389 A CA -0.815 51.279 52.037 0.094 0.000 0.880 389 A CB 0.953 19.988 19.000 0.058 0.000 1.294 389 A HN 0.035 nan 8.150 nan 0.000 0.493 390 R N 0.220 120.866 120.500 0.244 0.000 2.357 390 R HA 0.454 4.796 4.340 0.004 0.000 0.296 390 R C 0.735 177.300 176.300 0.441 0.000 1.052 390 R CA -0.116 56.154 56.100 0.283 0.000 0.988 390 R CB 0.118 30.526 30.300 0.181 0.000 1.025 390 R HN 0.866 nan 8.270 nan 0.000 0.469 391 G N -0.003 109.000 108.800 0.339 0.000 2.611 391 G HA2 0.194 4.156 3.960 0.004 0.000 0.273 391 G HA3 0.194 4.156 3.960 0.004 0.000 0.273 391 G C 0.961 176.177 174.900 0.526 0.000 1.305 391 G CA -0.102 45.244 45.100 0.410 0.000 1.010 391 G HN 0.406 nan 8.290 nan 0.000 0.509 392 V N -1.669 118.467 119.914 0.370 0.000 3.078 392 V HA -0.027 4.096 4.120 0.004 0.000 0.265 392 V C 1.654 177.841 176.094 0.156 0.000 1.122 392 V CA 2.068 64.452 62.300 0.140 0.000 1.141 392 V CB -0.565 31.166 31.823 -0.154 0.000 0.735 392 V HN 0.639 nan 8.190 nan 0.000 0.498 393 D N -0.033 120.462 120.400 0.158 0.000 2.328 393 D HA 0.020 4.662 4.640 0.004 0.000 0.221 393 D C 1.241 177.606 176.300 0.109 0.000 1.072 393 D CA -0.066 53.998 54.000 0.106 0.000 0.850 393 D CB -0.230 40.616 40.800 0.077 0.000 0.922 393 D HN 0.477 nan 8.370 nan 0.000 0.516 394 L N -1.560 119.760 121.223 0.161 0.000 4.625 394 L HA -0.238 4.104 4.340 0.004 0.000 0.428 394 L C -0.273 176.655 176.870 0.097 0.000 1.129 394 L CA 0.686 55.585 54.840 0.099 0.000 0.978 394 L CB -1.267 40.806 42.059 0.023 0.000 2.043 394 L HN 0.208 nan 8.230 nan 0.000 0.847 395 Q N 0.099 119.962 119.800 0.104 0.000 2.230 395 Q HA 0.400 4.743 4.340 0.004 0.000 0.253 395 Q C -2.082 173.971 176.000 0.088 0.000 0.919 395 Q CA -2.107 53.738 55.803 0.071 0.000 0.908 395 Q CB 0.910 29.674 28.738 0.044 0.000 1.245 395 Q HN -0.108 nan 8.270 nan 0.000 0.437 396 P HA 0.033 nan 4.420 nan 0.000 0.257 396 P C 0.519 177.843 177.300 0.041 0.000 1.189 396 P CA 0.574 63.718 63.100 0.072 0.000 0.780 396 P CB 0.271 32.008 31.700 0.063 0.000 0.772 397 M N 3.110 122.731 119.600 0.034 0.000 2.358 397 M HA -0.143 4.339 4.480 0.004 0.000 0.264 397 M C 1.852 178.144 176.300 -0.013 0.000 1.064 397 M CA 1.512 56.819 55.300 0.011 0.000 1.093 397 M CB -0.389 32.194 32.600 -0.029 0.000 1.401 397 M HN 0.398 nan 8.290 nan 0.000 0.440 398 I N 0.283 120.819 120.570 -0.057 0.000 2.394 398 I HA -0.306 3.866 4.170 0.004 0.000 0.251 398 I C 2.339 178.441 176.117 -0.026 0.000 1.136 398 I CA 1.083 62.331 61.300 -0.087 0.000 1.425 398 I CB -0.052 37.843 38.000 -0.175 0.000 1.079 398 I HN 0.354 nan 8.210 nan 0.000 0.425 399 Q N 0.396 120.177 119.800 -0.031 0.000 1.956 399 Q HA -0.249 4.093 4.340 0.004 0.000 0.208 399 Q C 2.222 178.218 176.000 -0.006 0.000 0.998 399 Q CA 2.799 58.578 55.803 -0.039 0.000 0.855 399 Q CB -1.387 27.331 28.738 -0.033 0.000 0.928 399 Q HN 0.586 nan 8.270 nan 0.000 0.418 400 T N -0.231 114.339 114.554 0.026 0.000 2.720 400 T HA -0.176 4.176 4.350 0.004 0.000 0.268 400 T C 1.740 176.487 174.700 0.080 0.000 1.037 400 T CA 1.344 63.468 62.100 0.040 0.000 1.144 400 T CB -0.801 68.093 68.868 0.044 0.000 0.864 400 T HN 0.253 nan 8.240 nan 0.000 0.444 401 F N 1.919 121.849 119.950 -0.035 0.000 2.091 401 F HA -0.053 4.476 4.527 0.004 0.000 0.299 401 F C 2.003 177.848 175.800 0.075 0.000 1.103 401 F CA 1.304 59.308 58.000 0.007 0.000 1.228 401 F CB -0.312 38.636 39.000 -0.086 0.000 0.984 401 F HN 0.062 nan 8.300 nan 0.000 0.477 402 L N 0.061 121.286 121.223 0.004 0.000 2.095 402 L HA -0.123 4.220 4.340 0.004 0.000 0.204 402 L C 2.738 179.620 176.870 0.020 0.000 1.080 402 L CA 1.218 56.013 54.840 -0.076 0.000 0.759 402 L CB -0.736 41.175 42.059 -0.248 0.000 0.914 402 L HN 0.114 nan 8.230 nan 0.000 0.439 403 R N 0.020 120.506 120.500 -0.023 0.000 2.127 403 R HA -0.166 4.176 4.340 0.004 0.000 0.238 403 R C 1.889 178.197 176.300 0.014 0.000 1.134 403 R CA 2.024 58.126 56.100 0.003 0.000 0.975 403 R CB -0.388 29.901 30.300 -0.018 0.000 0.865 403 R HN 0.277 nan 8.270 nan 0.000 0.447 404 T N 0.380 114.912 114.554 -0.037 0.000 2.698 404 T HA -0.074 4.278 4.350 0.004 0.000 0.260 404 T C 1.619 176.218 174.700 -0.168 0.000 1.044 404 T CA 1.134 63.162 62.100 -0.120 0.000 1.149 404 T CB -0.400 68.358 68.868 -0.183 0.000 0.864 404 T HN 0.440 nan 8.240 nan 0.000 0.419 405 H N -0.591 118.375 119.070 -0.174 0.000 2.521 405 H HA 0.009 4.568 4.556 0.004 0.000 0.286 405 H C 0.994 176.225 175.328 -0.162 0.000 1.034 405 H CA 0.972 56.903 56.048 -0.195 0.000 1.278 405 H CB -0.002 29.555 29.762 -0.342 0.000 1.386 405 H HN 0.471 nan 8.280 nan 0.000 0.567 406 Y N -0.434 119.852 120.300 -0.023 0.000 2.485 406 Y HA 0.159 4.712 4.550 0.004 0.000 0.260 406 Y C 1.977 177.861 175.900 -0.026 0.000 1.173 406 Y CA 0.153 58.247 58.100 -0.010 0.000 1.252 406 Y CB 0.846 39.304 38.460 -0.004 0.000 1.123 406 Y HN 0.277 nan 8.280 nan 0.000 0.524 407 G N 0.958 109.787 108.800 0.050 0.000 3.718 407 G HA2 -0.385 3.578 3.960 0.004 0.000 0.224 407 G HA3 -0.385 3.578 3.960 0.004 0.000 0.224 407 G C 0.569 175.485 174.900 0.027 0.000 1.328 407 G CA 0.919 46.028 45.100 0.014 0.000 0.974 407 G HN 0.473 nan 8.290 nan 0.000 0.579 408 E N 0.771 121.005 120.200 0.057 0.000 2.285 408 E HA 0.727 5.080 4.350 0.004 0.000 0.254 408 E C 0.283 176.900 176.600 0.028 0.000 1.011 408 E CA -0.474 55.947 56.400 0.035 0.000 0.873 408 E CB 1.377 31.098 29.700 0.035 0.000 1.229 408 E HN 1.187 nan 8.360 nan 0.000 0.422 409 A N 1.269 124.093 122.820 0.006 0.000 2.492 409 A HA 0.235 4.558 4.320 0.004 0.000 0.254 409 A C -0.256 177.313 177.584 -0.025 0.000 1.091 409 A CA -0.394 51.634 52.037 -0.015 0.000 0.768 409 A CB -0.356 18.634 19.000 -0.016 0.000 1.028 409 A HN 0.407 nan 8.150 nan 0.000 0.498 410 L N 4.244 125.426 121.223 -0.068 0.000 2.410 410 L HA 0.137 4.480 4.340 0.004 0.000 0.273 410 L C 1.025 177.863 176.870 -0.054 0.000 1.144 410 L CA 0.306 55.084 54.840 -0.102 0.000 0.863 410 L CB 0.338 42.267 42.059 -0.217 0.000 1.140 410 L HN 0.823 nan 8.230 nan 0.000 0.463 411 D N 1.270 121.657 120.400 -0.022 0.000 2.398 411 D HA 0.013 4.656 4.640 0.004 0.000 0.247 411 D C 0.189 176.499 176.300 0.017 0.000 1.227 411 D CA -0.537 53.465 54.000 0.003 0.000 0.980 411 D CB 0.905 41.718 40.800 0.021 0.000 1.106 411 D HN 0.413 nan 8.370 nan 0.000 0.493 412 D N 0.058 120.475 120.400 0.027 0.000 2.160 412 D HA -0.216 4.427 4.640 0.004 0.000 0.189 412 D C 1.662 178.016 176.300 0.091 0.000 1.003 412 D CA 1.443 55.467 54.000 0.040 0.000 0.846 412 D CB -0.291 40.529 40.800 0.033 0.000 0.949 412 D HN 0.402 nan 8.370 nan 0.000 0.446 413 N N 0.648 119.430 118.700 0.137 0.000 2.036 413 N HA -0.197 4.545 4.740 0.004 0.000 0.195 413 N C 1.816 177.577 175.510 0.418 0.000 1.037 413 N CA 1.551 54.774 53.050 0.287 0.000 0.855 413 N CB -0.708 37.980 38.487 0.336 0.000 1.033 413 N HN 0.210 nan 8.380 nan 0.000 0.423 414 A N 1.505 124.457 122.820 0.220 0.000 1.903 414 A HA -0.155 4.167 4.320 0.004 0.000 0.219 414 A C 2.482 180.165 177.584 0.166 0.000 1.191 414 A CA 1.401 53.519 52.037 0.135 0.000 0.638 414 A CB -0.919 18.057 19.000 -0.040 0.000 0.823 414 A HN 0.250 nan 8.150 nan 0.000 0.451 415 L N -0.992 120.296 121.223 0.108 0.000 2.044 415 L HA -0.135 4.208 4.340 0.004 0.000 0.205 415 L C 2.564 179.583 176.870 0.249 0.000 1.075 415 L CA 1.050 55.962 54.840 0.121 0.000 0.747 415 L CB -0.531 41.540 42.059 0.020 0.000 0.903 415 L HN 0.361 nan 8.230 nan 0.000 0.435 416 L N -1.669 119.672 121.223 0.195 0.000 2.079 416 L HA -0.271 4.071 4.340 0.004 0.000 0.210 416 L C 2.529 179.510 176.870 0.184 0.000 1.081 416 L CA 1.517 56.462 54.840 0.174 0.000 0.752 416 L CB -0.712 41.373 42.059 0.044 0.000 0.896 416 L HN 0.169 nan 8.230 nan 0.000 0.433 417 Y N -1.575 118.836 120.300 0.185 0.000 2.114 417 Y HA -0.301 4.251 4.550 0.004 0.000 0.284 417 Y C 2.441 178.466 175.900 0.208 0.000 1.143 417 Y CA 1.965 60.165 58.100 0.168 0.000 1.135 417 Y CB -0.625 37.928 38.460 0.155 0.000 0.980 417 Y HN 0.135 nan 8.280 nan 0.000 0.499 418 W N -0.132 121.334 121.300 0.277 0.000 2.338 418 W HA -0.324 4.339 4.660 0.004 0.000 0.304 418 W C 2.376 179.038 176.519 0.238 0.000 1.212 418 W CA 2.079 59.564 57.345 0.233 0.000 1.264 418 W CB -0.709 28.851 29.460 0.167 0.000 1.142 418 W HN 0.148 nan 8.180 nan 0.000 0.512 419 F N 1.213 121.437 119.950 0.456 0.000 2.095 419 F HA -0.283 4.247 4.527 0.004 0.000 0.298 419 F C 2.168 178.025 175.800 0.096 0.000 1.104 419 F CA 2.451 60.625 58.000 0.290 0.000 1.232 419 F CB -0.717 38.381 39.000 0.163 0.000 0.987 419 F HN -0.093 nan 8.300 nan 0.000 0.475 420 D N 0.062 120.392 120.400 -0.116 0.000 2.117 420 D HA -0.226 4.417 4.640 0.004 0.000 0.197 420 D C 1.682 177.823 176.300 -0.265 0.000 0.987 420 D CA 1.795 55.639 54.000 -0.260 0.000 0.829 420 D CB -0.256 40.475 40.800 -0.115 0.000 0.961 420 D HN 0.244 nan 8.370 nan 0.000 0.460 421 D N -1.303 118.982 120.400 -0.191 0.000 2.264 421 D HA -0.123 4.519 4.640 0.004 0.000 0.208 421 D C 1.306 177.418 176.300 -0.313 0.000 0.966 421 D CA 0.501 54.369 54.000 -0.220 0.000 0.864 421 D CB -0.154 40.538 40.800 -0.180 0.000 0.933 421 D HN 0.422 nan 8.370 nan 0.000 0.499 422 Y N 1.548 121.528 120.300 -0.533 0.000 2.177 422 Y HA -0.183 4.369 4.550 0.004 0.000 0.291 422 Y C 2.407 178.072 175.900 -0.392 0.000 1.117 422 Y CA 1.589 59.392 58.100 -0.494 0.000 1.114 422 Y CB -0.126 38.018 38.460 -0.527 0.000 1.017 422 Y HN -0.129 nan 8.280 nan 0.000 0.505 423 Q N -0.753 118.768 119.800 -0.465 0.000 2.135 423 Q HA -0.161 4.181 4.340 0.004 0.000 0.204 423 Q C 2.143 177.924 176.000 -0.365 0.000 0.981 423 Q CA 2.221 57.747 55.803 -0.462 0.000 0.856 423 Q CB -1.375 27.015 28.738 -0.580 0.000 0.902 423 Q HN 0.364 nan 8.270 nan 0.000 0.425 424 T N 0.275 114.632 114.554 -0.328 0.000 2.635 424 T HA -0.184 4.168 4.350 0.004 0.000 0.267 424 T C 1.760 176.334 174.700 -0.210 0.000 1.040 424 T CA 1.898 63.868 62.100 -0.217 0.000 1.156 424 T CB -0.138 68.627 68.868 -0.172 0.000 0.863 424 T HN 0.426 nan 8.240 nan 0.000 0.430 425 R N -0.061 120.278 120.500 -0.269 0.000 2.237 425 R HA 0.086 4.429 4.340 0.004 0.000 0.219 425 R C 2.266 178.388 176.300 -0.296 0.000 1.080 425 R CA 0.833 56.781 56.100 -0.254 0.000 0.995 425 R CB -0.260 29.883 30.300 -0.262 0.000 0.875 425 R HN 0.361 nan 8.270 nan 0.000 0.462 426 L N 0.164 121.141 121.223 -0.409 0.000 2.102 426 L HA 0.007 4.349 4.340 0.004 0.000 0.202 426 L C 1.772 178.494 176.870 -0.248 0.000 1.076 426 L CA 1.409 56.013 54.840 -0.392 0.000 0.761 426 L CB -0.115 41.588 42.059 -0.593 0.000 0.921 426 L HN 0.051 nan 8.230 nan 0.000 0.444 427 L N -0.585 120.517 121.223 -0.201 0.000 2.056 427 L HA -0.137 4.205 4.340 0.004 0.000 0.207 427 L C 2.827 179.693 176.870 -0.007 0.000 1.078 427 L CA 1.171 55.964 54.840 -0.080 0.000 0.749 427 L CB -0.560 41.496 42.059 -0.004 0.000 0.901 427 L HN 0.235 nan 8.230 nan 0.000 0.433 428 R N -0.056 120.428 120.500 -0.027 0.000 2.070 428 R HA -0.148 4.194 4.340 0.004 0.000 0.232 428 R C -0.081 176.244 176.300 0.042 0.000 1.138 428 R CA 1.585 57.696 56.100 0.018 0.000 0.936 428 R CB -1.820 28.477 30.300 -0.006 0.000 0.839 428 R HN 0.301 nan 8.270 nan 0.000 0.429 429 P HA -0.174 nan 4.420 nan 0.000 0.215 429 P C 1.612 178.950 177.300 0.064 0.000 1.163 429 P CA 1.307 64.425 63.100 0.031 0.000 0.894 429 P CB -0.089 31.610 31.700 -0.002 0.000 0.791 430 V N -0.774 119.164 119.914 0.039 0.000 2.261 430 V HA -0.227 3.895 4.120 0.004 0.000 0.246 430 V C 2.548 178.726 176.094 0.141 0.000 1.047 430 V CA 1.757 64.090 62.300 0.055 0.000 1.015 430 V CB -1.332 30.474 31.823 -0.029 0.000 0.642 430 V HN 0.044 nan 8.190 nan 0.000 0.446 431 L N -0.236 121.102 121.223 0.192 0.000 2.056 431 L HA -0.134 4.209 4.340 0.004 0.000 0.207 431 L C 2.655 179.745 176.870 0.367 0.000 1.078 431 L CA 1.498 56.557 54.840 0.366 0.000 0.749 431 L CB -0.677 41.643 42.059 0.435 0.000 0.901 431 L HN 0.297 nan 8.230 nan 0.000 0.433 432 S N 0.328 116.172 115.700 0.240 0.000 2.365 432 S HA -0.206 4.267 4.470 0.004 0.000 0.225 432 S C 1.974 176.700 174.600 0.210 0.000 1.039 432 S CA 1.443 59.766 58.200 0.204 0.000 1.033 432 S CB -0.412 62.873 63.200 0.141 0.000 0.887 432 S HN 0.293 nan 8.310 nan 0.000 0.447 433 L N -0.471 120.859 121.223 0.179 0.000 2.141 433 L HA -0.055 4.287 4.340 0.004 0.000 0.209 433 L C 2.133 179.088 176.870 0.142 0.000 1.094 433 L CA 1.183 56.109 54.840 0.142 0.000 0.763 433 L CB -0.275 41.820 42.059 0.060 0.000 0.908 433 L HN 0.312 nan 8.230 nan 0.000 0.437 434 F N -1.158 118.784 119.950 -0.015 0.000 2.317 434 F HA -0.065 4.465 4.527 0.004 0.000 0.293 434 F C 1.868 177.523 175.800 -0.241 0.000 1.085 434 F CA 0.937 58.845 58.000 -0.153 0.000 1.390 434 F CB 0.090 38.936 39.000 -0.257 0.000 1.077 434 F HN -0.129 nan 8.300 nan 0.000 0.517 435 F N 0.543 120.517 119.950 0.041 0.000 2.220 435 F HA 0.006 4.535 4.527 0.004 0.000 0.290 435 F C 2.169 177.879 175.800 -0.151 0.000 1.080 435 F CA 0.709 58.643 58.000 -0.111 0.000 1.318 435 F CB -1.041 37.976 39.000 0.028 0.000 1.063 435 F HN -0.121 nan 8.300 nan 0.000 0.498 436 N N -0.623 118.101 118.700 0.040 0.000 2.106 436 N HA -0.133 4.610 4.740 0.004 0.000 0.188 436 N C 1.467 176.742 175.510 -0.392 0.000 1.029 436 N CA 1.480 54.403 53.050 -0.211 0.000 0.848 436 N CB -0.463 37.840 38.487 -0.306 0.000 1.007 436 N HN 0.362 nan 8.380 nan 0.000 0.423 437 H N -1.816 117.256 119.070 0.002 0.000 2.874 437 H HA 0.276 4.834 4.556 0.004 0.000 0.264 437 H C 0.829 176.150 175.328 -0.011 0.000 1.007 437 H CA 0.636 56.694 56.048 0.017 0.000 1.207 437 H CB 0.847 30.516 29.762 -0.154 0.000 1.487 437 H HN 0.250 nan 8.280 nan 0.000 0.505 438 G N 1.743 110.500 108.800 -0.071 0.000 2.160 438 G HA2 -0.279 3.683 3.960 0.004 0.000 0.251 438 G HA3 -0.279 3.683 3.960 0.004 0.000 0.251 438 G C 0.154 175.033 174.900 -0.036 0.000 1.008 438 G CA 0.450 45.449 45.100 -0.168 0.000 0.724 438 G HN 0.213 nan 8.290 nan 0.000 0.514 439 V N 1.156 121.064 119.914 -0.010 0.000 2.368 439 V HA 0.396 4.518 4.120 0.004 0.000 0.266 439 V C 0.789 176.961 176.094 0.131 0.000 1.045 439 V CA -0.566 61.726 62.300 -0.013 0.000 0.899 439 V CB 1.582 33.281 31.823 -0.207 0.000 1.006 439 V HN 0.253 nan 8.190 nan 0.000 0.470 440 V N 6.949 126.953 119.914 0.149 0.000 2.353 440 V HA 0.320 4.442 4.120 0.004 0.000 0.264 440 V C 0.522 176.657 176.094 0.069 0.000 1.049 440 V CA -0.185 62.213 62.300 0.163 0.000 0.896 440 V CB 0.808 32.699 31.823 0.112 0.000 1.025 440 V HN 0.714 nan 8.190 nan 0.000 0.475 441 M N 3.247 122.890 119.600 0.072 0.000 2.371 441 M HA 0.413 4.896 4.480 0.004 0.000 0.301 441 M C 0.421 176.714 176.300 -0.012 0.000 1.173 441 M CA -0.179 55.152 55.300 0.053 0.000 1.020 441 M CB 1.147 33.789 32.600 0.070 0.000 1.490 441 M HN 0.662 nan 8.290 nan 0.000 0.485 442 E N 2.207 122.382 120.200 -0.041 0.000 3.406 442 E HA 0.250 4.602 4.350 0.004 0.000 0.210 442 E C -2.068 174.406 176.600 -0.209 0.000 1.167 442 E CA -1.638 54.717 56.400 -0.075 0.000 1.132 442 E CB 0.462 30.144 29.700 -0.031 0.000 1.309 442 E HN 0.195 nan 8.360 nan 0.000 0.424 443 P HA 0.014 nan 4.420 nan 0.000 0.269 443 P C -0.615 176.659 177.300 -0.043 0.000 1.601 443 P CA -0.058 62.965 63.100 -0.130 0.000 0.831 443 P CB -0.892 30.748 31.700 -0.101 0.000 1.688 444 H N -1.758 117.328 119.070 0.027 0.000 2.703 444 H HA 0.112 4.671 4.556 0.004 0.000 0.377 444 H C 1.502 176.795 175.328 -0.058 0.000 1.392 444 H CA -0.676 55.356 56.048 -0.027 0.000 1.458 444 H CB -0.222 29.509 29.762 -0.052 0.000 1.529 444 H HN -0.170 nan 8.280 nan 0.000 0.619 445 L N -1.175 120.056 121.223 0.013 0.000 2.197 445 L HA -0.212 4.131 4.340 0.004 0.000 0.215 445 L C 2.485 179.377 176.870 0.037 0.000 1.095 445 L CA 1.845 56.601 54.840 -0.139 0.000 0.764 445 L CB -0.415 41.529 42.059 -0.192 0.000 0.897 445 L HN 0.765 nan 8.230 nan 0.000 0.436 446 Q N -0.275 119.670 119.800 0.241 0.000 2.396 446 Q HA -0.040 4.303 4.340 0.004 0.000 0.209 446 Q C 0.918 176.967 176.000 0.082 0.000 0.906 446 Q CA 0.430 56.321 55.803 0.147 0.000 0.927 446 Q CB 0.328 29.150 28.738 0.140 0.000 1.069 446 Q HN 0.459 nan 8.270 nan 0.000 0.523 447 N N 0.494 119.166 118.700 -0.046 0.000 2.362 447 N HA 0.082 4.825 4.740 0.004 0.000 0.204 447 N C -0.862 174.574 175.510 -0.122 0.000 1.166 447 N CA 0.139 53.080 53.050 -0.181 0.000 0.831 447 N CB 0.696 38.938 38.487 -0.408 0.000 1.008 447 N HN -0.047 nan 8.380 nan 0.000 0.472 448 S N -0.296 115.380 115.700 -0.039 0.000 2.538 448 S HA 0.573 5.046 4.470 0.004 0.000 0.288 448 S C -0.490 174.110 174.600 0.001 0.000 1.108 448 S CA -0.651 57.552 58.200 0.005 0.000 0.971 448 S CB 2.657 65.972 63.200 0.190 0.000 1.041 448 S HN -0.193 nan 8.310 nan 0.000 0.483 449 V N 3.364 123.233 119.914 -0.076 0.000 2.588 449 V HA 0.498 4.621 4.120 0.004 0.000 0.304 449 V C -0.771 175.302 176.094 -0.035 0.000 1.042 449 V CA -0.843 61.414 62.300 -0.072 0.000 0.877 449 V CB 1.664 33.312 31.823 -0.293 0.000 0.996 449 V HN 0.763 nan 8.190 nan 0.000 0.425 450 L N 6.544 127.805 121.223 0.063 0.000 2.260 450 L HA 0.601 4.943 4.340 0.004 0.000 0.289 450 L C -0.299 176.642 176.870 0.118 0.000 1.057 450 L CA 0.288 55.200 54.840 0.120 0.000 0.811 450 L CB 1.299 43.493 42.059 0.225 0.000 1.184 450 L HN 0.475 nan 8.230 nan 0.000 0.429 451 V N 5.753 125.707 119.914 0.067 0.000 2.406 451 V HA 0.405 4.528 4.120 0.004 0.000 0.272 451 V C -0.150 176.012 176.094 0.113 0.000 1.043 451 V CA -0.399 61.940 62.300 0.065 0.000 0.915 451 V CB 0.152 31.972 31.823 -0.005 0.000 0.988 451 V HN 1.019 nan 8.190 nan 0.000 0.466 452 H N 2.245 121.364 119.070 0.081 0.000 2.797 452 H HA 0.774 5.333 4.556 0.004 0.000 0.372 452 H C -0.734 174.641 175.328 0.078 0.000 1.168 452 H CA -1.077 55.035 56.048 0.107 0.000 1.163 452 H CB 1.815 31.699 29.762 0.204 0.000 1.778 452 H HN 0.511 nan 8.280 nan 0.000 0.551 453 Q N 1.746 121.554 119.800 0.012 0.000 2.320 453 Q HA 0.241 4.584 4.340 0.004 0.000 0.268 453 Q C -0.869 175.183 176.000 0.087 0.000 1.023 453 Q CA -0.645 55.133 55.803 -0.043 0.000 0.744 453 Q CB 1.045 29.770 28.738 -0.022 0.000 1.246 453 Q HN 0.858 nan 8.270 nan 0.000 0.462 454 Q N 2.851 122.720 119.800 0.116 0.000 2.435 454 Q HA -0.311 4.031 4.340 0.004 0.000 0.286 454 Q C 0.707 176.718 176.000 0.017 0.000 1.229 454 Q CA 1.206 57.124 55.803 0.193 0.000 0.884 454 Q CB -1.632 27.169 28.738 0.106 0.000 1.245 454 Q HN 1.210 nan 8.270 nan 0.000 0.488 455 G N -1.103 107.752 108.800 0.092 0.000 2.225 455 G HA2 -0.375 3.587 3.960 0.004 0.000 0.254 455 G HA3 -0.375 3.587 3.960 0.004 0.000 0.254 455 G C 0.009 175.209 174.900 0.500 0.000 0.988 455 G CA 0.236 45.344 45.100 0.013 0.000 0.625 455 G HN 0.304 nan 8.290 nan 0.000 0.527 456 R N 1.990 122.692 120.500 0.338 0.000 2.267 456 R HA 0.478 4.820 4.340 0.004 0.000 0.319 456 R C -2.268 174.156 176.300 0.206 0.000 1.067 456 R CA -1.512 54.764 56.100 0.292 0.000 0.936 456 R CB 0.766 31.156 30.300 0.150 0.000 1.006 456 R HN 0.195 nan 8.270 nan 0.000 0.452 457 P HA 0.030 nan 4.420 nan 0.000 0.276 457 P C -0.626 176.662 177.300 -0.019 0.000 1.235 457 P CA -0.100 63.009 63.100 0.015 0.000 0.772 457 P CB 1.433 32.977 31.700 -0.260 0.000 0.871 458 Q N 1.718 121.526 119.800 0.013 0.000 2.606 458 Q HA 0.138 4.480 4.340 0.004 0.000 0.215 458 Q C 0.420 176.393 176.000 -0.044 0.000 0.908 458 Q CA 0.986 56.780 55.803 -0.015 0.000 0.908 458 Q CB 0.462 29.198 28.738 -0.004 0.000 1.120 458 Q HN 0.605 nan 8.270 nan 0.000 0.628 459 Q N -0.006 119.770 119.800 -0.040 0.000 2.433 459 Q HA 0.569 4.911 4.340 0.004 0.000 0.279 459 Q C -1.269 174.678 176.000 -0.087 0.000 1.105 459 Q CA -0.535 55.225 55.803 -0.071 0.000 0.815 459 Q CB 3.286 31.985 28.738 -0.064 0.000 1.403 459 Q HN -0.116 nan 8.270 nan 0.000 0.435 460 V N 2.567 122.400 119.914 -0.134 0.000 2.284 460 V HA 0.262 4.384 4.120 0.004 0.000 0.274 460 V C -0.550 175.460 176.094 -0.141 0.000 1.023 460 V CA -0.468 61.744 62.300 -0.146 0.000 0.808 460 V CB 0.916 32.584 31.823 -0.257 0.000 1.035 460 V HN 0.618 nan 8.190 nan 0.000 0.445 461 L N 5.975 127.096 121.223 -0.170 0.000 2.397 461 L HA 0.535 4.878 4.340 0.004 0.000 0.271 461 L C -0.764 175.977 176.870 -0.215 0.000 1.148 461 L CA 0.221 54.927 54.840 -0.224 0.000 0.825 461 L CB 0.768 42.595 42.059 -0.386 0.000 1.117 461 L HN 0.473 nan 8.230 nan 0.000 0.456 462 L N 5.172 126.289 121.223 -0.177 0.000 2.354 462 L HA 0.701 5.044 4.340 0.004 0.000 0.269 462 L C -0.519 176.241 176.870 -0.184 0.000 1.005 462 L CA -0.744 54.009 54.840 -0.145 0.000 0.819 462 L CB 1.970 43.986 42.059 -0.071 0.000 1.311 462 L HN 0.732 nan 8.230 nan 0.000 0.423 463 R N 0.457 120.838 120.500 -0.198 0.000 2.764 463 R HA 0.660 5.002 4.340 0.004 0.000 0.270 463 R C -1.866 174.281 176.300 -0.255 0.000 1.014 463 R CA -0.771 55.159 56.100 -0.283 0.000 0.904 463 R CB 1.881 32.017 30.300 -0.273 0.000 1.236 463 R HN 0.481 nan 8.270 nan 0.000 0.466 464 D N 0.450 120.622 120.400 -0.380 0.000 3.814 464 D HA -0.104 4.538 4.640 0.004 0.000 0.219 464 D C -0.881 175.402 176.300 -0.028 0.000 1.296 464 D CA 0.178 54.040 54.000 -0.229 0.000 0.799 464 D CB -0.445 40.285 40.800 -0.117 0.000 0.437 464 D HN 0.487 nan 8.370 nan 0.000 0.185 465 F N 2.051 121.924 119.950 -0.129 0.000 2.569 465 F HA 0.145 4.674 4.527 0.004 0.000 0.295 465 F C 2.374 178.137 175.800 -0.062 0.000 1.115 465 F CA 0.882 58.809 58.000 -0.123 0.000 1.450 465 F CB -0.469 38.453 39.000 -0.131 0.000 1.107 465 F HN 0.576 nan 8.300 nan 0.000 0.563 466 E N 0.572 120.850 120.200 0.130 0.000 2.068 466 E HA -0.225 4.128 4.350 0.004 0.000 0.207 466 E C 2.031 178.664 176.600 0.055 0.000 1.032 466 E CA 1.781 58.222 56.400 0.068 0.000 0.839 466 E CB -0.630 29.093 29.700 0.039 0.000 0.758 466 E HN 0.310 nan 8.360 nan 0.000 0.457 467 G N 0.605 109.435 108.800 0.049 0.000 3.440 467 G HA2 0.219 4.181 3.960 0.004 0.000 0.263 467 G HA3 0.219 4.181 3.960 0.004 0.000 0.263 467 G C -0.199 174.691 174.900 -0.017 0.000 1.236 467 G CA -0.343 44.766 45.100 0.016 0.000 0.927 467 G HN 0.101 nan 8.290 nan 0.000 0.530 468 V N 1.608 121.534 119.914 0.019 0.000 2.555 468 V HA 0.281 4.403 4.120 0.004 0.000 0.286 468 V C -0.079 175.974 176.094 -0.070 0.000 1.044 468 V CA -0.103 62.203 62.300 0.010 0.000 1.026 468 V CB 1.198 33.062 31.823 0.069 0.000 0.981 468 V HN 0.177 nan 8.190 nan 0.000 0.480 469 K N 5.207 125.529 120.400 -0.130 0.000 2.306 469 K HA 0.728 5.050 4.320 0.004 0.000 0.236 469 K C -1.070 175.507 176.600 -0.038 0.000 1.013 469 K CA -0.752 55.429 56.287 -0.178 0.000 0.857 469 K CB 2.494 34.657 32.500 -0.563 0.000 1.214 469 K HN 0.408 nan 8.250 nan 0.000 0.449 470 L N 0.977 122.207 121.223 0.012 0.000 2.386 470 L HA 0.363 4.705 4.340 0.004 0.000 0.271 470 L C 0.409 177.339 176.870 0.101 0.000 0.993 470 L CA -0.967 53.906 54.840 0.055 0.000 0.819 470 L CB 2.055 44.144 42.059 0.049 0.000 1.294 470 L HN 0.734 nan 8.230 nan 0.000 0.414 471 T N -3.328 111.281 114.554 0.092 0.000 2.868 471 T HA 0.093 4.445 4.350 0.004 0.000 0.292 471 T C 0.780 175.521 174.700 0.067 0.000 1.028 471 T CA -0.496 61.663 62.100 0.100 0.000 1.059 471 T CB 1.170 70.058 68.868 0.033 0.000 0.991 471 T HN 0.703 nan 8.240 nan 0.000 0.531 472 D N 1.019 121.459 120.400 0.066 0.000 2.117 472 D HA -0.185 4.457 4.640 0.004 0.000 0.198 472 D C 1.474 177.783 176.300 0.015 0.000 0.982 472 D CA 1.485 55.510 54.000 0.040 0.000 0.828 472 D CB -0.576 40.246 40.800 0.036 0.000 0.967 472 D HN 0.727 nan 8.370 nan 0.000 0.464 473 D N -0.361 120.041 120.400 0.004 0.000 2.219 473 D HA -0.103 4.539 4.640 0.004 0.000 0.205 473 D C 1.748 178.031 176.300 -0.028 0.000 0.970 473 D CA 0.645 54.636 54.000 -0.015 0.000 0.851 473 D CB -0.111 40.677 40.800 -0.021 0.000 0.943 473 D HN 0.338 nan 8.370 nan 0.000 0.488 474 L N -0.725 120.482 121.223 -0.025 0.000 2.865 474 L HA 0.384 4.726 4.340 0.004 0.000 0.167 474 L C 2.317 179.213 176.870 0.042 0.000 1.135 474 L CA 1.107 55.934 54.840 -0.022 0.000 0.895 474 L CB -0.634 41.389 42.059 -0.059 0.000 1.643 474 L HN 0.080 nan 8.230 nan 0.000 0.518 475 G N 0.201 109.040 108.800 0.065 0.000 2.469 475 G HA2 -0.301 3.661 3.960 0.004 0.000 0.219 475 G HA3 -0.301 3.661 3.960 0.004 0.000 0.219 475 G C 1.473 176.472 174.900 0.164 0.000 1.150 475 G CA 1.314 46.502 45.100 0.147 0.000 0.763 475 G HN 0.300 nan 8.290 nan 0.000 0.561 476 I N 0.626 121.246 120.570 0.084 0.000 2.756 476 I HA 0.008 4.180 4.170 0.004 0.000 0.262 476 I C 2.346 178.486 176.117 0.038 0.000 1.225 476 I CA 0.342 61.681 61.300 0.065 0.000 1.472 476 I CB -0.021 38.006 38.000 0.046 0.000 1.094 476 I HN -0.054 nan 8.210 nan 0.000 0.454 477 R N -0.570 119.925 120.500 -0.009 0.000 2.193 477 R HA -0.153 4.189 4.340 0.004 0.000 0.229 477 R C 1.594 177.797 176.300 -0.161 0.000 1.110 477 R CA 1.139 57.168 56.100 -0.118 0.000 0.988 477 R CB -1.181 28.983 30.300 -0.226 0.000 0.871 477 R HN 0.443 nan 8.270 nan 0.000 0.458 478 Y N -0.146 120.133 120.300 -0.035 0.000 2.546 478 Y HA 0.135 4.688 4.550 0.004 0.000 0.287 478 Y C 0.785 176.662 175.900 -0.039 0.000 1.158 478 Y CA 0.026 58.095 58.100 -0.051 0.000 1.307 478 Y CB 0.135 38.541 38.460 -0.090 0.000 1.036 478 Y HN -0.126 nan 8.280 nan 0.000 0.532 479 I N 0.419 121.043 120.570 0.090 0.000 2.392 479 I HA 0.110 4.283 4.170 0.004 0.000 0.295 479 I C -0.652 175.487 176.117 0.036 0.000 0.985 479 I CA -0.757 60.579 61.300 0.061 0.000 1.221 479 I CB 0.976 39.010 38.000 0.056 0.000 1.366 479 I HN -0.104 nan 8.210 nan 0.000 0.467 480 D N 5.831 126.253 120.400 0.037 0.000 2.346 480 D HA 0.026 4.668 4.640 0.004 0.000 0.260 480 D C 0.536 176.855 176.300 0.031 0.000 1.252 480 D CA 0.032 54.049 54.000 0.029 0.000 0.895 480 D CB 0.666 41.486 40.800 0.034 0.000 1.097 480 D HN 0.379 nan 8.370 nan 0.000 0.489 481 D N 0.898 121.311 120.400 0.021 0.000 2.417 481 D HA -0.124 4.519 4.640 0.004 0.000 0.225 481 D C -0.012 176.304 176.300 0.027 0.000 0.983 481 D CA 0.750 54.762 54.000 0.021 0.000 0.949 481 D CB -0.100 40.707 40.800 0.010 0.000 0.879 481 D HN 0.450 nan 8.370 nan 0.000 0.520 482 D N 0.667 121.087 120.400 0.034 0.000 2.631 482 D HA 0.085 4.727 4.640 0.004 0.000 0.227 482 D C 0.080 176.418 176.300 0.064 0.000 1.146 482 D CA -0.366 53.660 54.000 0.042 0.000 1.009 482 D CB 0.046 40.870 40.800 0.040 0.000 1.057 482 D HN -0.029 nan 8.370 nan 0.000 0.509 483 I N 0.655 121.268 120.570 0.071 0.000 2.647 483 I HA 0.148 4.321 4.170 0.004 0.000 0.295 483 I C 0.247 176.449 176.117 0.141 0.000 1.078 483 I CA -0.810 60.556 61.300 0.110 0.000 1.048 483 I CB 1.781 39.836 38.000 0.092 0.000 1.239 483 I HN 0.363 nan 8.210 nan 0.000 0.421 484 H N 7.158 126.301 119.070 0.121 0.000 3.094 484 H HA 0.022 4.580 4.556 0.004 0.000 0.320 484 H C -1.673 173.721 175.328 0.109 0.000 1.000 484 H CA -0.398 55.746 56.048 0.160 0.000 1.413 484 H CB 1.244 31.185 29.762 0.298 0.000 1.405 484 H HN 0.253 nan 8.280 nan 0.000 0.586 485 P HA -0.198 nan 4.420 nan 0.000 0.217 485 P C 1.585 178.983 177.300 0.162 0.000 1.151 485 P CA 1.548 64.677 63.100 0.048 0.000 0.849 485 P CB 0.211 31.881 31.700 -0.050 0.000 0.787 486 R N -0.231 120.535 120.500 0.442 0.000 2.092 486 R HA -0.055 4.287 4.340 0.004 0.000 0.231 486 R C 1.926 178.126 176.300 -0.166 0.000 1.119 486 R CA 1.203 57.370 56.100 0.111 0.000 0.970 486 R CB -1.371 29.035 30.300 0.177 0.000 0.864 486 R HN -0.000 nan 8.270 nan 0.000 0.440 487 V N 1.118 121.004 119.914 -0.047 0.000 2.407 487 V HA -0.181 3.941 4.120 0.004 0.000 0.248 487 V C 2.538 178.613 176.094 -0.033 0.000 1.055 487 V CA 2.158 64.407 62.300 -0.086 0.000 1.049 487 V CB -0.659 31.169 31.823 0.009 0.000 0.662 487 V HN 0.386 nan 8.190 nan 0.000 0.455 488 R N 0.457 120.964 120.500 0.013 0.000 2.075 488 R HA -0.168 4.175 4.340 0.004 0.000 0.226 488 R C 2.410 178.708 176.300 -0.003 0.000 1.114 488 R CA 1.696 57.806 56.100 0.017 0.000 0.972 488 R CB -0.324 29.997 30.300 0.035 0.000 0.869 488 R HN 0.673 nan 8.270 nan 0.000 0.437 489 Q N 0.382 120.163 119.800 -0.030 0.000 2.152 489 Q HA -0.189 4.154 4.340 0.004 0.000 0.206 489 Q C 1.922 177.884 176.000 -0.063 0.000 0.985 489 Q CA 2.357 58.131 55.803 -0.048 0.000 0.863 489 Q CB -0.253 28.439 28.738 -0.078 0.000 0.904 489 Q HN 0.322 nan 8.270 nan 0.000 0.422 490 S N -0.467 115.151 115.700 -0.137 0.000 2.402 490 S HA -0.048 4.425 4.470 0.004 0.000 0.229 490 S C 1.819 176.431 174.600 0.020 0.000 1.021 490 S CA 0.829 58.967 58.200 -0.103 0.000 0.974 490 S CB -0.116 62.999 63.200 -0.142 0.000 0.800 490 S HN 0.528 nan 8.310 nan 0.000 0.484 491 L N 0.593 121.828 121.223 0.019 0.000 2.375 491 L HA 0.301 4.643 4.340 0.004 0.000 0.215 491 L C 0.469 177.383 176.870 0.073 0.000 1.108 491 L CA -0.055 54.802 54.840 0.027 0.000 0.830 491 L CB -0.078 41.994 42.059 0.022 0.000 0.959 491 L HN 0.306 nan 8.230 nan 0.000 0.457 492 L N 0.682 121.971 121.223 0.109 0.000 2.407 492 L HA 0.162 4.504 4.340 0.004 0.000 0.282 492 L C -0.748 176.307 176.870 0.308 0.000 1.110 492 L CA 0.229 55.160 54.840 0.151 0.000 0.863 492 L CB -0.366 41.745 42.059 0.085 0.000 1.207 492 L HN -0.137 nan 8.230 nan 0.000 0.454 493 Y N 2.385 122.710 120.300 0.042 0.000 2.387 493 Y HA 0.463 5.015 4.550 0.004 0.000 0.330 493 Y C 0.800 176.734 175.900 0.057 0.000 1.133 493 Y CA -0.994 57.137 58.100 0.053 0.000 1.152 493 Y CB 1.688 40.196 38.460 0.080 0.000 1.215 493 Y HN 0.700 nan 8.280 nan 0.000 0.466 494 S N 2.757 118.510 115.700 0.087 0.000 2.603 494 S HA 0.227 4.699 4.470 0.004 0.000 0.268 494 S C 1.367 176.062 174.600 0.160 0.000 1.317 494 S CA -0.624 57.623 58.200 0.079 0.000 1.012 494 S CB 1.000 64.206 63.200 0.010 0.000 0.926 494 S HN 0.847 nan 8.310 nan 0.000 0.539 495 R N 0.635 121.227 120.500 0.152 0.000 2.117 495 R HA -0.150 4.192 4.340 0.004 0.000 0.243 495 R C 2.192 178.695 176.300 0.339 0.000 1.143 495 R CA 1.959 58.200 56.100 0.234 0.000 0.968 495 R CB -0.326 30.054 30.300 0.133 0.000 0.863 495 R HN 0.922 nan 8.270 nan 0.000 0.444 496 E N -0.075 120.253 120.200 0.213 0.000 2.112 496 E HA -0.183 4.170 4.350 0.004 0.000 0.190 496 E C 1.932 178.617 176.600 0.142 0.000 0.979 496 E CA 0.838 57.362 56.400 0.207 0.000 0.814 496 E CB 0.174 29.941 29.700 0.111 0.000 0.762 496 E HN 0.426 nan 8.360 nan 0.000 0.460 497 Q N -0.369 119.462 119.800 0.051 0.000 2.030 497 Q HA -0.145 4.197 4.340 0.004 0.000 0.204 497 Q C 2.202 178.308 176.000 0.177 0.000 0.986 497 Q CA 1.577 57.341 55.803 -0.065 0.000 0.843 497 Q CB -0.402 28.114 28.738 -0.371 0.000 0.904 497 Q HN 0.352 nan 8.270 nan 0.000 0.420 498 G N 0.510 109.546 108.800 0.393 0.000 2.505 498 G HA2 -0.296 3.667 3.960 0.004 0.000 0.220 498 G HA3 -0.296 3.667 3.960 0.004 0.000 0.220 498 G C 1.011 175.987 174.900 0.126 0.000 1.145 498 G CA 0.770 46.125 45.100 0.425 0.000 0.761 498 G HN 0.537 nan 8.290 nan 0.000 0.571 499 W N 1.342 122.626 121.300 -0.027 0.000 2.409 499 W HA -0.096 4.566 4.660 0.004 0.000 0.299 499 W C 2.122 178.595 176.519 -0.077 0.000 1.203 499 W CA 0.912 58.133 57.345 -0.208 0.000 1.298 499 W CB -0.071 29.398 29.460 0.015 0.000 1.127 499 W HN 0.165 nan 8.180 nan 0.000 0.528 500 N N 0.850 119.483 118.700 -0.112 0.000 2.036 500 N HA -0.261 4.481 4.740 0.004 0.000 0.195 500 N C 1.884 177.350 175.510 -0.075 0.000 1.037 500 N CA 2.101 55.049 53.050 -0.171 0.000 0.855 500 N CB -1.113 37.215 38.487 -0.265 0.000 1.033 500 N HN 0.231 nan 8.380 nan 0.000 0.423 501 R N 0.770 121.276 120.500 0.011 0.000 2.094 501 R HA -0.091 4.251 4.340 0.004 0.000 0.239 501 R C 2.216 178.506 176.300 -0.017 0.000 1.137 501 R CA 1.447 57.626 56.100 0.132 0.000 0.943 501 R CB -0.512 29.895 30.300 0.178 0.000 0.850 501 R HN 0.187 nan 8.270 nan 0.000 0.433 502 I N 0.586 121.004 120.570 -0.253 0.000 2.226 502 I HA -0.329 3.843 4.170 0.004 0.000 0.245 502 I C 2.691 178.556 176.117 -0.419 0.000 1.100 502 I CA 1.455 62.534 61.300 -0.369 0.000 1.374 502 I CB -0.151 37.531 38.000 -0.530 0.000 1.057 502 I HN 0.332 nan 8.210 nan 0.000 0.413 503 M N -0.800 118.451 119.600 -0.582 0.000 2.073 503 M HA -0.301 4.181 4.480 0.004 0.000 0.258 503 M C 2.504 178.775 176.300 -0.049 0.000 1.070 503 M CA 2.189 57.312 55.300 -0.294 0.000 1.103 503 M CB -0.581 31.763 32.600 -0.427 0.000 1.321 503 M HN 0.296 nan 8.290 nan 0.000 0.405 504 Y N 0.164 120.393 120.300 -0.119 0.000 2.145 504 Y HA -0.292 4.261 4.550 0.004 0.000 0.286 504 Y C 2.388 178.253 175.900 -0.059 0.000 1.145 504 Y CA 1.734 59.792 58.100 -0.070 0.000 1.148 504 Y CB -0.753 37.699 38.460 -0.014 0.000 0.981 504 Y HN 0.268 nan 8.280 nan 0.000 0.507 505 C N 0.431 119.580 119.300 -0.252 0.000 2.462 505 C HA -0.150 4.313 4.460 0.004 0.000 0.278 505 C C 2.864 177.683 174.990 -0.285 0.000 1.253 505 C CA 1.205 60.045 59.018 -0.296 0.000 1.713 505 C CB -1.452 26.243 27.740 -0.075 0.000 2.049 505 C HN 0.636 nan 8.230 nan 0.000 0.477 506 L N -0.543 120.448 121.223 -0.388 0.000 2.012 506 L HA -0.155 4.187 4.340 0.004 0.000 0.210 506 L C 2.233 178.790 176.870 -0.522 0.000 1.073 506 L CA 1.998 56.464 54.840 -0.624 0.000 0.748 506 L CB -0.506 40.845 42.059 -1.179 0.000 0.891 506 L HN 0.357 nan 8.230 nan 0.000 0.431 507 F N -1.780 118.208 119.950 0.064 0.000 2.553 507 F HA 0.119 4.648 4.527 0.004 0.000 0.282 507 F C 2.116 178.020 175.800 0.172 0.000 1.089 507 F CA 0.068 58.238 58.000 0.284 0.000 1.411 507 F CB -0.007 39.228 39.000 0.391 0.000 1.125 507 F HN -0.163 nan 8.300 nan 0.000 0.610 508 I N -0.113 120.402 120.570 -0.092 0.000 2.385 508 I HA -0.174 3.998 4.170 0.004 0.000 0.244 508 I C 2.409 178.404 176.117 -0.204 0.000 1.089 508 I CA 0.771 61.901 61.300 -0.284 0.000 1.410 508 I CB -0.462 37.258 38.000 -0.466 0.000 1.117 508 I HN 0.151 nan 8.210 nan 0.000 0.429 509 N N 0.283 118.675 118.700 -0.515 0.000 2.120 509 N HA -0.246 4.496 4.740 0.004 0.000 0.188 509 N C 1.790 177.218 175.510 -0.138 0.000 1.024 509 N CA 1.916 54.725 53.050 -0.401 0.000 0.852 509 N CB 0.112 38.209 38.487 -0.651 0.000 1.003 509 N HN 0.479 nan 8.380 nan 0.000 0.424 510 H N -0.561 118.426 119.070 -0.138 0.000 2.320 510 H HA 0.257 4.815 4.556 0.004 0.000 0.318 510 H C 2.335 177.643 175.328 -0.034 0.000 1.098 510 H CA 0.180 56.195 56.048 -0.055 0.000 1.569 510 H CB -0.042 29.687 29.762 -0.055 0.000 1.506 510 H HN -0.046 nan 8.280 nan 0.000 0.632 511 L N -0.060 121.331 121.223 0.280 0.000 2.083 511 L HA -0.184 4.158 4.340 0.004 0.000 0.209 511 L C 2.687 179.606 176.870 0.081 0.000 1.083 511 L CA 1.131 56.081 54.840 0.182 0.000 0.752 511 L CB -0.519 41.680 42.059 0.233 0.000 0.899 511 L HN 0.326 nan 8.230 nan 0.000 0.433 512 S N -0.300 115.595 115.700 0.326 0.000 2.359 512 S HA -0.213 4.259 4.470 0.004 0.000 0.222 512 S C 1.929 176.584 174.600 0.093 0.000 1.038 512 S CA 1.526 59.958 58.200 0.387 0.000 1.051 512 S CB -0.111 63.418 63.200 0.549 0.000 0.944 512 S HN 0.388 nan 8.310 nan 0.000 0.433 513 E N 0.552 120.768 120.200 0.025 0.000 2.097 513 E HA -0.119 4.233 4.350 0.004 0.000 0.196 513 E C 2.259 178.706 176.600 -0.255 0.000 1.000 513 E CA 1.583 57.939 56.400 -0.073 0.000 0.804 513 E CB -1.235 28.433 29.700 -0.054 0.000 0.740 513 E HN 0.549 nan 8.360 nan 0.000 0.454 514 T N 1.558 115.813 114.554 -0.498 0.000 2.684 514 T HA -0.131 4.221 4.350 0.004 0.000 0.267 514 T C 2.132 176.562 174.700 -0.449 0.000 1.036 514 T CA 1.186 62.712 62.100 -0.956 0.000 1.148 514 T CB -0.233 68.248 68.868 -0.646 0.000 0.863 514 T HN 0.117 nan 8.240 nan 0.000 0.436 515 I N 0.207 120.566 120.570 -0.352 0.000 2.286 515 I HA -0.075 4.097 4.170 0.004 0.000 0.245 515 I C 2.219 178.212 176.117 -0.207 0.000 1.104 515 I CA 0.701 61.767 61.300 -0.389 0.000 1.397 515 I CB -0.188 37.483 38.000 -0.547 0.000 1.072 515 I HN 0.154 nan 8.210 nan 0.000 0.417 516 L N 0.694 121.841 121.223 -0.126 0.000 2.201 516 L HA -0.103 4.239 4.340 0.004 0.000 0.212 516 L C 2.371 179.269 176.870 0.048 0.000 1.105 516 L CA 1.850 56.645 54.840 -0.075 0.000 0.775 516 L CB -0.514 41.452 42.059 -0.155 0.000 0.913 516 L HN 0.172 nan 8.230 nan 0.000 0.440 517 A N -0.799 122.030 122.820 0.016 0.000 1.855 517 A HA -0.038 4.284 4.320 0.004 0.000 0.213 517 A C 2.189 179.797 177.584 0.040 0.000 1.195 517 A CA 1.359 53.450 52.037 0.090 0.000 0.610 517 A CB -0.749 18.338 19.000 0.145 0.000 0.837 517 A HN 0.397 nan 8.150 nan 0.000 0.444 518 L N 0.463 121.671 121.223 -0.026 0.000 2.083 518 L HA -0.139 4.204 4.340 0.004 0.000 0.209 518 L C 2.346 179.178 176.870 -0.063 0.000 1.083 518 L CA 1.619 56.418 54.840 -0.069 0.000 0.752 518 L CB -0.246 41.763 42.059 -0.084 0.000 0.899 518 L HN 0.567 nan 8.230 nan 0.000 0.433 519 S N -1.202 114.468 115.700 -0.050 0.000 2.618 519 S HA 0.029 4.501 4.470 0.004 0.000 0.242 519 S C 0.627 175.231 174.600 0.006 0.000 0.972 519 S CA -0.546 57.629 58.200 -0.041 0.000 1.004 519 S CB -0.152 63.003 63.200 -0.074 0.000 0.778 519 S HN 0.292 nan 8.310 nan 0.000 0.459 520 Q N 0.701 120.501 119.800 0.001 0.000 2.330 520 Q HA 0.312 4.654 4.340 0.004 0.000 0.279 520 Q C 1.323 177.242 176.000 -0.135 0.000 1.024 520 Q CA 1.327 57.046 55.803 -0.140 0.000 0.900 520 Q CB 0.244 28.829 28.738 -0.255 0.000 1.221 520 Q HN 0.793 nan 8.270 nan 0.000 0.396 521 G N 4.258 112.967 108.800 -0.152 0.000 2.220 521 G HA2 -0.309 3.653 3.960 0.004 0.000 0.269 521 G HA3 -0.309 3.653 3.960 0.004 0.000 0.269 521 G C 0.323 175.193 174.900 -0.050 0.000 0.977 521 G CA 0.502 45.546 45.100 -0.093 0.000 0.634 521 G HN 0.643 nan 8.290 nan 0.000 0.539 522 R N 0.297 120.772 120.500 -0.041 0.000 2.681 522 R HA 0.239 4.582 4.340 0.004 0.000 0.277 522 R C -1.875 174.413 176.300 -0.020 0.000 1.563 522 R CA -1.166 54.917 56.100 -0.027 0.000 1.673 522 R CB 1.415 31.696 30.300 -0.031 0.000 1.258 522 R HN 0.174 nan 8.270 nan 0.000 0.650 523 P HA -0.194 nan 4.420 nan 0.000 0.228 523 P C 0.995 178.285 177.300 -0.016 0.000 1.151 523 P CA 0.984 64.080 63.100 -0.007 0.000 0.770 523 P CB 0.353 32.050 31.700 -0.004 0.000 0.786 524 Q N -0.200 119.591 119.800 -0.015 0.000 2.482 524 Q HA -0.007 4.335 4.340 0.004 0.000 0.209 524 Q C 1.678 177.669 176.000 -0.016 0.000 0.961 524 Q CA 0.744 56.540 55.803 -0.012 0.000 0.945 524 Q CB -0.961 27.773 28.738 -0.006 0.000 1.012 524 Q HN 0.323 nan 8.270 nan 0.000 0.515 525 L N 0.249 121.453 121.223 -0.032 0.000 2.341 525 L HA 0.109 4.451 4.340 0.004 0.000 0.214 525 L C 2.540 179.359 176.870 -0.086 0.000 1.115 525 L CA 0.551 55.358 54.840 -0.055 0.000 0.820 525 L CB -0.510 41.505 42.059 -0.073 0.000 0.944 525 L HN 0.188 nan 8.230 nan 0.000 0.452 526 A N 1.562 124.343 122.820 -0.066 0.000 1.873 526 A HA -0.144 4.179 4.320 0.004 0.000 0.218 526 A C -0.006 177.609 177.584 0.051 0.000 1.193 526 A CA 1.895 53.898 52.037 -0.057 0.000 0.629 526 A CB -1.844 17.175 19.000 0.032 0.000 0.826 526 A HN 0.271 nan 8.150 nan 0.000 0.447 527 P HA -0.117 nan 4.420 nan 0.000 0.218 527 P C 1.573 178.939 177.300 0.110 0.000 1.149 527 P CA 0.912 64.098 63.100 0.144 0.000 0.817 527 P CB -0.247 31.498 31.700 0.075 0.000 0.785 528 L N -1.537 119.709 121.223 0.038 0.000 2.017 528 L HA -0.112 4.230 4.340 0.004 0.000 0.208 528 L C 2.842 179.722 176.870 0.017 0.000 1.073 528 L CA 1.666 56.519 54.840 0.023 0.000 0.745 528 L CB -1.062 40.997 42.059 -0.001 0.000 0.894 528 L HN -0.039 nan 8.230 nan 0.000 0.432 529 M N -1.499 118.049 119.600 -0.085 0.000 2.175 529 M HA -0.202 4.280 4.480 0.004 0.000 0.264 529 M C 2.162 178.398 176.300 -0.107 0.000 1.063 529 M CA 2.053 57.212 55.300 -0.236 0.000 1.119 529 M CB -0.372 31.758 32.600 -0.783 0.000 1.377 529 M HN 0.237 nan 8.290 nan 0.000 0.415 530 W N -0.052 121.277 121.300 0.048 0.000 2.425 530 W HA -0.103 4.560 4.660 0.004 0.000 0.277 530 W C 2.585 179.175 176.519 0.119 0.000 1.231 530 W CA 0.618 58.066 57.345 0.172 0.000 1.248 530 W CB -0.134 29.442 29.460 0.193 0.000 1.117 530 W HN 0.181 nan 8.180 nan 0.000 0.568 531 R N 0.365 121.016 120.500 0.252 0.000 2.075 531 R HA -0.121 4.221 4.340 0.004 0.000 0.232 531 R C 2.197 178.511 176.300 0.024 0.000 1.126 531 R CA 1.269 57.422 56.100 0.088 0.000 0.963 531 R CB -0.128 30.210 30.300 0.064 0.000 0.858 531 R HN -0.104 nan 8.270 nan 0.000 0.435 532 R N -0.275 120.273 120.500 0.081 0.000 2.081 532 R HA -0.057 4.285 4.340 0.004 0.000 0.235 532 R C 2.083 178.413 176.300 0.050 0.000 1.131 532 R CA 1.191 57.329 56.100 0.064 0.000 0.960 532 R CB -0.622 29.758 30.300 0.133 0.000 0.856 532 R HN 0.071 nan 8.270 nan 0.000 0.436 533 V N 0.635 120.638 119.914 0.148 0.000 2.324 533 V HA -0.310 3.812 4.120 0.004 0.000 0.250 533 V C 2.412 178.458 176.094 -0.081 0.000 1.060 533 V CA 2.146 64.536 62.300 0.150 0.000 1.042 533 V CB -0.519 31.564 31.823 0.434 0.000 0.650 533 V HN 0.448 nan 8.190 nan 0.000 0.450 534 Q N -0.649 118.946 119.800 -0.341 0.000 2.079 534 Q HA -0.250 4.092 4.340 0.004 0.000 0.200 534 Q C 2.352 178.158 176.000 -0.324 0.000 0.974 534 Q CA 1.707 57.107 55.803 -0.671 0.000 0.840 534 Q CB -0.041 28.093 28.738 -1.006 0.000 0.898 534 Q HN 0.695 nan 8.270 nan 0.000 0.430 535 Q N -0.261 119.423 119.800 -0.193 0.000 2.226 535 Q HA -0.224 4.119 4.340 0.004 0.000 0.204 535 Q C 1.858 177.808 176.000 -0.084 0.000 0.975 535 Q CA 1.418 57.150 55.803 -0.118 0.000 0.866 535 Q CB 0.060 28.750 28.738 -0.080 0.000 0.915 535 Q HN 0.244 nan 8.270 nan 0.000 0.440 536 Q N 0.543 120.300 119.800 -0.072 0.000 2.137 536 Q HA -0.053 4.289 4.340 0.004 0.000 0.198 536 Q C 1.697 177.698 176.000 0.000 0.000 0.960 536 Q CA 1.035 56.818 55.803 -0.033 0.000 0.847 536 Q CB 0.034 28.757 28.738 -0.025 0.000 0.915 536 Q HN 0.379 nan 8.270 nan 0.000 0.448 537 L N -0.230 120.994 121.223 0.001 0.000 2.017 537 L HA -0.169 4.173 4.340 0.004 0.000 0.208 537 L C 2.557 179.432 176.870 0.008 0.000 1.073 537 L CA 1.567 56.439 54.840 0.053 0.000 0.745 537 L CB -0.535 41.559 42.059 0.057 0.000 0.894 537 L HN 0.170 nan 8.230 nan 0.000 0.432 538 R N 0.132 120.607 120.500 -0.041 0.000 2.091 538 R HA -0.182 4.160 4.340 0.004 0.000 0.238 538 R C 2.426 178.706 176.300 -0.033 0.000 1.136 538 R CA 1.432 57.505 56.100 -0.045 0.000 0.959 538 R CB -0.572 29.691 30.300 -0.061 0.000 0.856 538 R HN 0.416 nan 8.270 nan 0.000 0.437 539 A N 1.480 124.283 122.820 -0.029 0.000 1.845 539 A HA -0.157 4.166 4.320 0.004 0.000 0.215 539 A C 2.181 179.759 177.584 -0.010 0.000 1.195 539 A CA 1.327 53.351 52.037 -0.022 0.000 0.616 539 A CB -0.604 18.382 19.000 -0.023 0.000 0.832 539 A HN 0.184 nan 8.150 nan 0.000 0.443 540 I N -0.427 120.147 120.570 0.007 0.000 2.315 540 I HA -0.343 3.830 4.170 0.004 0.000 0.251 540 I C 2.796 178.919 176.117 0.011 0.000 1.125 540 I CA 1.844 63.161 61.300 0.028 0.000 1.392 540 I CB -0.355 37.688 38.000 0.072 0.000 1.065 540 I HN 0.545 nan 8.210 nan 0.000 0.424 541 Q N 0.919 120.710 119.800 -0.016 0.000 2.020 541 Q HA -0.172 4.171 4.340 0.004 0.000 0.202 541 Q C 2.205 178.169 176.000 -0.060 0.000 0.982 541 Q CA 1.782 57.546 55.803 -0.066 0.000 0.838 541 Q CB -0.352 28.335 28.738 -0.086 0.000 0.899 541 Q HN 0.560 nan 8.270 nan 0.000 0.423 542 G N 0.233 109.008 108.800 -0.043 0.000 2.653 542 G HA2 -0.239 3.723 3.960 0.004 0.000 0.212 542 G HA3 -0.239 3.723 3.960 0.004 0.000 0.212 542 G C 0.939 175.823 174.900 -0.028 0.000 1.138 542 G CA 0.762 45.840 45.100 -0.038 0.000 0.782 542 G HN 0.539 nan 8.290 nan 0.000 0.535 543 E N -0.539 119.649 120.200 -0.020 0.000 2.490 543 E HA 0.154 4.506 4.350 0.004 0.000 0.209 543 E C 0.544 177.142 176.600 -0.003 0.000 0.971 543 E CA -0.435 55.960 56.400 -0.007 0.000 0.988 543 E CB 0.090 29.793 29.700 0.004 0.000 1.029 543 E HN 0.264 nan 8.360 nan 0.000 0.496 544 L N 1.988 123.203 121.223 -0.013 0.000 2.426 544 L HA 0.146 4.488 4.340 0.004 0.000 0.271 544 L C 1.232 178.087 176.870 -0.025 0.000 1.169 544 L CA -0.371 54.465 54.840 -0.007 0.000 0.836 544 L CB 0.725 42.765 42.059 -0.031 0.000 1.112 544 L HN -0.068 nan 8.230 nan 0.000 0.465 545 K N 1.206 121.593 120.400 -0.022 0.000 2.426 545 K HA 0.118 4.441 4.320 0.004 0.000 0.193 545 K C 0.100 176.673 176.600 -0.045 0.000 1.028 545 K CA 0.419 56.684 56.287 -0.036 0.000 1.047 545 K CB 0.302 32.776 32.500 -0.044 0.000 0.821 545 K HN 0.523 nan 8.250 nan 0.000 0.513 546 Q N 0.140 119.916 119.800 -0.041 0.000 2.484 546 Q HA 0.405 4.748 4.340 0.004 0.000 0.285 546 Q C -2.474 173.488 176.000 -0.064 0.000 1.097 546 Q CA -2.126 53.652 55.803 -0.042 0.000 0.802 546 Q CB 1.415 30.136 28.738 -0.028 0.000 1.444 546 Q HN -0.060 nan 8.270 nan 0.000 0.429 547 P HA 0.082 nan 4.420 nan 0.000 0.272 547 P C -0.427 176.764 177.300 -0.181 0.000 1.230 547 P CA -0.110 62.922 63.100 -0.113 0.000 0.788 547 P CB 0.508 32.160 31.700 -0.080 0.000 0.949 548 S N -0.509 114.995 115.700 -0.327 0.000 2.300 548 S HA 0.269 4.741 4.470 0.004 0.000 0.172 548 S C -1.861 172.508 174.600 -0.385 0.000 1.484 548 S CA -0.970 56.848 58.200 -0.637 0.000 1.265 548 S CB 0.575 63.027 63.200 -1.246 0.000 1.313 548 S HN 0.258 nan 8.310 nan 0.000 0.387 549 P HA -0.017 nan 4.420 nan 0.000 0.231 549 P C 0.579 177.768 177.300 -0.184 0.000 1.158 549 P CA 1.024 64.030 63.100 -0.156 0.000 0.763 549 P CB 0.147 31.789 31.700 -0.097 0.000 0.805 550 E N -0.704 119.333 120.200 -0.272 0.000 2.190 550 E HA -0.015 4.337 4.350 0.004 0.000 0.191 550 E C 1.780 178.163 176.600 -0.363 0.000 0.978 550 E CA 0.218 56.351 56.400 -0.445 0.000 0.839 550 E CB -0.942 28.142 29.700 -1.026 0.000 0.787 550 E HN 0.077 nan 8.360 nan 0.000 0.473 551 L N 1.160 122.171 121.223 -0.354 0.000 2.141 551 L HA -0.102 4.240 4.340 0.004 0.000 0.209 551 L C 1.156 178.019 176.870 -0.012 0.000 1.094 551 L CA 1.714 56.484 54.840 -0.118 0.000 0.763 551 L CB -0.256 41.631 42.059 -0.286 0.000 0.908 551 L HN 0.016 nan 8.230 nan 0.000 0.437 552 D N -0.334 120.019 120.400 -0.079 0.000 2.084 552 D HA -0.122 4.520 4.640 0.004 0.000 0.196 552 D C 2.205 178.543 176.300 0.063 0.000 0.985 552 D CA 1.492 55.483 54.000 -0.016 0.000 0.826 552 D CB -0.151 40.617 40.800 -0.054 0.000 0.978 552 D HN 0.387 nan 8.370 nan 0.000 0.456 553 A N 0.967 123.805 122.820 0.031 0.000 1.927 553 A HA -0.209 4.114 4.320 0.004 0.000 0.220 553 A C 2.241 179.980 177.584 0.259 0.000 1.185 553 A CA 1.376 53.455 52.037 0.071 0.000 0.639 553 A CB -0.876 18.081 19.000 -0.072 0.000 0.820 553 A HN 0.243 nan 8.150 nan 0.000 0.451 554 L N -0.308 121.087 121.223 0.286 0.000 2.005 554 L HA -0.091 4.251 4.340 0.004 0.000 0.207 554 L C 2.341 179.512 176.870 0.501 0.000 1.072 554 L CA 1.766 56.842 54.840 0.393 0.000 0.744 554 L CB -0.365 42.001 42.059 0.511 0.000 0.895 554 L HN 0.449 nan 8.230 nan 0.000 0.433 555 I N -0.223 120.574 120.570 0.378 0.000 2.248 555 I HA -0.311 3.861 4.170 0.004 0.000 0.248 555 I C 1.993 178.316 176.117 0.344 0.000 1.107 555 I CA 1.344 62.814 61.300 0.284 0.000 1.373 555 I CB -0.467 37.580 38.000 0.078 0.000 1.055 555 I HN 0.352 nan 8.210 nan 0.000 0.418 556 A N 0.491 123.485 122.820 0.290 0.000 2.359 556 A HA 0.383 4.706 4.320 0.004 0.000 0.240 556 A C 1.542 179.250 177.584 0.206 0.000 1.306 556 A CA 0.541 52.717 52.037 0.233 0.000 0.898 556 A CB -0.963 18.156 19.000 0.198 0.000 0.956 556 A HN 0.603 nan 8.150 nan 0.000 0.497 557 G N -0.305 108.661 108.800 0.278 0.000 2.198 557 G HA2 -0.229 3.733 3.960 0.004 0.000 0.257 557 G HA3 -0.229 3.733 3.960 0.004 0.000 0.257 557 G C 0.021 174.830 174.900 -0.152 0.000 1.042 557 G CA 0.238 45.325 45.100 -0.022 0.000 0.791 557 G HN 0.722 nan 8.290 nan 0.000 0.502 558 H N 0.283 119.349 119.070 -0.006 0.000 2.551 558 H HA 0.281 4.839 4.556 0.004 0.000 0.358 558 H C -1.962 173.342 175.328 -0.040 0.000 1.151 558 H CA -0.940 55.106 56.048 -0.004 0.000 1.374 558 H CB 1.040 30.836 29.762 0.057 0.000 1.473 558 H HN 0.138 nan 8.280 nan 0.000 0.574 559 P HA 0.001 nan 4.420 nan 0.000 0.271 559 P C -0.502 176.835 177.300 0.060 0.000 1.216 559 P CA -0.176 62.940 63.100 0.026 0.000 0.776 559 P CB 0.669 32.389 31.700 0.033 0.000 0.881 560 V N 1.975 121.906 119.914 0.029 0.000 2.644 560 V HA 0.531 4.653 4.120 0.004 0.000 0.295 560 V C 0.627 176.721 176.094 0.000 0.000 1.053 560 V CA -0.866 61.442 62.300 0.014 0.000 0.987 560 V CB 1.040 32.842 31.823 -0.036 0.000 1.006 560 V HN 0.649 nan 8.190 nan 0.000 0.472 561 A N 2.660 125.495 122.820 0.024 0.000 2.363 561 A HA 0.525 4.847 4.320 0.004 0.000 0.270 561 A C -0.169 177.493 177.584 0.130 0.000 1.121 561 A CA -0.191 51.905 52.037 0.098 0.000 0.800 561 A CB 0.401 19.470 19.000 0.116 0.000 1.052 561 A HN 1.000 nan 8.150 nan 0.000 0.493 562 C N 3.859 123.210 119.300 0.085 0.000 2.364 562 C HA 0.565 5.027 4.460 0.004 0.000 0.324 562 C C 0.136 174.866 174.990 -0.432 0.000 1.234 562 C CA -0.867 58.122 59.018 -0.049 0.000 1.417 562 C CB 0.358 28.048 27.740 -0.083 0.000 2.101 562 C HN 0.979 nan 8.230 nan 0.000 0.466 563 K N 3.456 123.249 120.400 -1.011 0.000 2.237 563 K HA 0.460 4.782 4.320 0.004 0.000 0.270 563 K C 0.363 176.506 176.600 -0.761 0.000 1.015 563 K CA 0.174 55.621 56.287 -1.400 0.000 0.949 563 K CB 0.906 32.278 32.500 -1.879 0.000 0.976 563 K HN 0.867 nan 8.250 nan 0.000 0.472 564 T N 0.060 114.250 114.554 -0.606 0.000 2.945 564 T HA 0.378 4.731 4.350 0.004 0.000 0.286 564 T C 0.278 174.779 174.700 -0.332 0.000 1.025 564 T CA -0.861 61.006 62.100 -0.389 0.000 1.039 564 T CB 1.243 69.910 68.868 -0.336 0.000 1.068 564 T HN 0.607 nan 8.240 nan 0.000 0.497 565 N N -0.190 118.335 118.700 -0.292 0.000 2.075 565 N HA 0.123 4.866 4.740 0.004 0.000 0.226 565 N C 0.791 176.102 175.510 -0.331 0.000 1.343 565 N CA -0.110 52.731 53.050 -0.348 0.000 0.881 565 N CB 0.596 38.787 38.487 -0.492 0.000 1.100 565 N HN 0.467 nan 8.380 nan 0.000 0.495 566 L N 1.184 122.283 121.223 -0.207 0.000 2.445 566 L HA 0.344 4.686 4.340 0.004 0.000 0.207 566 L C 2.006 178.872 176.870 -0.008 0.000 1.053 566 L CA 1.483 56.276 54.840 -0.079 0.000 0.841 566 L CB -0.297 41.787 42.059 0.041 0.000 1.074 566 L HN -0.175 nan 8.230 nan 0.000 0.479 567 K N -0.661 119.691 120.400 -0.081 0.000 2.002 567 K HA -0.141 4.181 4.320 0.004 0.000 0.209 567 K C 1.965 178.541 176.600 -0.040 0.000 1.048 567 K CA 1.740 57.990 56.287 -0.062 0.000 0.930 567 K CB -0.298 32.011 32.500 -0.318 0.000 0.714 567 K HN 0.219 nan 8.250 nan 0.000 0.438 568 V N 1.680 121.536 119.914 -0.097 0.000 2.828 568 V HA -0.170 3.952 4.120 0.004 0.000 0.260 568 V C 1.902 177.972 176.094 -0.040 0.000 1.101 568 V CA 1.464 63.722 62.300 -0.069 0.000 1.123 568 V CB -0.424 31.339 31.823 -0.099 0.000 0.704 568 V HN 0.311 nan 8.190 nan 0.000 0.493 569 R N -0.949 119.528 120.500 -0.039 0.000 2.254 569 R HA 0.231 4.573 4.340 0.004 0.000 0.195 569 R C 1.834 178.139 176.300 0.009 0.000 0.957 569 R CA 0.624 56.712 56.100 -0.020 0.000 1.024 569 R CB -0.080 30.198 30.300 -0.037 0.000 0.952 569 R HN 0.463 nan 8.270 nan 0.000 0.484 570 L N -0.040 121.201 121.223 0.030 0.000 2.357 570 L HA 0.249 4.592 4.340 0.004 0.000 0.211 570 L C 1.047 177.940 176.870 0.039 0.000 1.075 570 L CA -0.014 54.855 54.840 0.048 0.000 0.830 570 L CB -0.139 41.977 42.059 0.094 0.000 0.996 570 L HN -0.066 nan 8.230 nan 0.000 0.467 571 A N 0.646 123.486 122.820 0.033 0.000 2.351 571 A HA 0.576 4.898 4.320 0.004 0.000 0.257 571 A C 0.719 178.313 177.584 0.016 0.000 1.087 571 A CA 0.033 52.085 52.037 0.025 0.000 0.798 571 A CB 0.282 19.293 19.000 0.019 0.000 1.033 571 A HN 0.233 nan 8.150 nan 0.000 0.488 579 S N -0.839 114.875 115.700 0.024 0.000 2.453 579 S HA 0.214 4.687 4.470 0.004 0.000 0.231 579 S C 0.451 175.013 174.600 -0.064 0.000 1.005 579 S CA 0.886 59.095 58.200 0.016 0.000 0.949 579 S CB -0.356 62.925 63.200 0.135 0.000 0.774 579 S HN 0.497 nan 8.310 nan 0.000 0.510 580 Y N 0.182 120.401 120.300 -0.135 0.000 2.576 580 Y HA 0.661 5.214 4.550 0.004 0.000 0.346 580 Y C -0.132 175.686 175.900 -0.136 0.000 1.018 580 Y CA -1.302 56.709 58.100 -0.149 0.000 1.050 580 Y CB 2.164 40.553 38.460 -0.119 0.000 1.280 580 Y HN 0.095 nan 8.280 nan 0.000 0.474 581 V N -0.896 119.019 119.914 0.002 0.000 3.167 581 V HA 0.741 4.864 4.120 0.004 0.000 0.310 581 V C -1.075 175.022 176.094 0.004 0.000 1.207 581 V CA -1.482 60.800 62.300 -0.030 0.000 1.059 581 V CB 2.385 34.140 31.823 -0.115 0.000 1.079 581 V HN 0.700 nan 8.190 nan 0.000 0.446 582 R N 1.304 121.799 120.500 -0.009 0.000 2.445 582 R HA 0.737 5.080 4.340 0.004 0.000 0.308 582 R C -1.370 174.923 176.300 -0.011 0.000 0.961 582 R CA -0.574 55.528 56.100 0.003 0.000 0.862 582 R CB 1.863 32.173 30.300 0.017 0.000 1.144 582 R HN 0.692 nan 8.270 nan 0.000 0.447 583 L N 3.977 125.200 121.223 -0.001 0.000 2.346 583 L HA 0.492 4.834 4.340 0.004 0.000 0.274 583 L C -2.253 174.662 176.870 0.074 0.000 1.007 583 L CA -2.479 52.386 54.840 0.043 0.000 0.818 583 L CB 2.151 44.254 42.059 0.073 0.000 1.284 583 L HN 0.215 nan 8.230 nan 0.000 0.424 584 P HA 0.014 nan 4.420 nan 0.000 0.272 584 P C -0.477 176.707 177.300 -0.194 0.000 1.223 584 P CA -0.198 62.852 63.100 -0.082 0.000 0.784 584 P CB 0.823 32.461 31.700 -0.104 0.000 0.923 585 S N 3.084 118.573 115.700 -0.352 0.000 2.562 585 S HA 0.139 4.611 4.470 0.004 0.000 0.281 585 S C -1.426 172.632 174.600 -0.904 0.000 1.333 585 S CA -0.933 56.837 58.200 -0.716 0.000 1.052 585 S CB -0.286 62.396 63.200 -0.864 0.000 0.884 585 S HN 0.234 nan 8.310 nan 0.000 0.506 586 P HA 0.006 nan 4.420 nan 0.000 0.214 586 P C 0.109 177.063 177.300 -0.577 0.000 1.163 586 P CA 0.981 63.369 63.100 -1.187 0.000 0.883 586 P CB -0.092 30.480 31.700 -1.881 0.000 0.788 587 W N 0.000 121.096 121.300 -0.340 0.000 2.388 587 W HA 0.000 4.662 4.660 0.004 0.000 0.303 587 W CA 0.000 57.248 57.345 -0.162 0.000 1.226 587 W CB 0.000 29.416 29.460 -0.074 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535