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 2xnd_1_A DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.587 177.584 0.004 0.000 1.274 19 A CA 0.000 52.039 52.037 0.004 0.000 0.836 19 A CB 0.000 19.002 19.000 0.003 0.000 0.831 20 D N 1.377 121.780 120.400 0.005 0.000 2.256 20 D HA 0.548 5.189 4.640 0.001 0.000 0.240 20 D C -0.458 175.846 176.300 0.007 0.000 1.062 20 D CA 1.127 55.130 54.000 0.005 0.000 0.832 20 D CB 1.198 42.001 40.800 0.004 0.000 1.135 20 D HN 0.482 nan 8.370 nan 0.000 0.484 21 T N 0.025 114.584 114.554 0.009 0.000 3.946 21 T HA -0.226 4.125 4.350 0.001 0.000 0.356 21 T C 1.374 176.083 174.700 0.015 0.000 0.758 21 T CA 1.107 63.214 62.100 0.011 0.000 1.911 21 T CB -1.681 67.193 68.868 0.009 0.000 1.835 21 T HN 0.500 nan 8.240 nan 0.000 0.807 22 S N -0.438 115.270 115.700 0.013 0.000 2.362 22 S HA 0.231 4.701 4.470 0.001 0.000 0.221 22 S C 0.996 175.608 174.600 0.019 0.000 1.032 22 S CA 0.354 58.563 58.200 0.014 0.000 0.973 22 S CB -0.063 63.142 63.200 0.009 0.000 0.849 22 S HN 1.391 nan 8.310 nan 0.000 0.465 23 V N 2.513 122.437 119.914 0.018 0.000 3.683 23 V HA -0.173 3.948 4.120 0.001 0.000 0.493 23 V C -0.119 175.983 176.094 0.013 0.000 0.682 23 V CA 0.669 62.982 62.300 0.022 0.000 2.008 23 V CB -1.693 30.154 31.823 0.041 0.000 2.427 23 V HN 0.733 nan 8.190 nan 0.000 0.505 24 D N 5.169 125.571 120.400 0.003 0.000 2.598 24 D HA 0.206 4.847 4.640 0.001 0.000 0.231 24 D C 1.177 177.465 176.300 -0.019 0.000 1.127 24 D CA 0.182 54.178 54.000 -0.008 0.000 1.126 24 D CB 0.108 40.901 40.800 -0.011 0.000 1.124 24 D HN 0.625 nan 8.370 nan 0.000 0.485 25 L N 1.121 122.332 121.223 -0.021 0.000 2.447 25 L HA -0.122 4.219 4.340 0.001 0.000 0.225 25 L C 2.020 178.849 176.870 -0.067 0.000 1.148 25 L CA 0.834 55.642 54.840 -0.053 0.000 0.808 25 L CB -0.161 41.861 42.059 -0.061 0.000 0.928 25 L HN 0.416 nan 8.230 nan 0.000 0.448 26 E N -0.230 119.943 120.200 -0.046 0.000 2.051 26 E HA -0.122 4.229 4.350 0.001 0.000 0.189 26 E C 1.563 178.136 176.600 -0.046 0.000 0.979 26 E CA 0.804 57.178 56.400 -0.044 0.000 0.803 26 E CB 0.267 29.948 29.700 -0.031 0.000 0.761 26 E HN 0.440 nan 8.360 nan 0.000 0.451 27 E N -0.037 120.139 120.200 -0.041 0.000 2.490 27 E HA 0.050 4.400 4.350 0.001 0.000 0.209 27 E C 0.794 177.364 176.600 -0.051 0.000 0.971 27 E CA 0.405 56.779 56.400 -0.043 0.000 0.988 27 E CB 1.197 30.876 29.700 -0.034 0.000 1.029 27 E HN 0.216 nan 8.360 nan 0.000 0.496 28 T N -2.304 112.221 114.554 -0.048 0.000 2.742 28 T HA 0.820 5.171 4.350 0.001 0.000 0.282 28 T C 0.394 175.064 174.700 -0.049 0.000 1.025 28 T CA -0.447 61.624 62.100 -0.049 0.000 1.020 28 T CB 2.444 71.294 68.868 -0.031 0.000 1.317 28 T HN 0.064 nan 8.240 nan 0.000 0.538 29 G N -0.479 108.301 108.800 -0.033 0.000 2.428 29 G HA2 0.594 4.555 3.960 0.001 0.000 0.304 29 G HA3 0.594 4.555 3.960 0.001 0.000 0.304 29 G C -2.039 172.880 174.900 0.032 0.000 1.303 29 G CA -1.089 44.008 45.100 -0.005 0.000 0.825 29 G HN 0.776 nan 8.290 nan 0.000 0.484 30 R N -0.900 119.650 120.500 0.083 0.000 2.725 30 R HA 0.557 4.897 4.340 0.001 0.000 0.277 30 R C -0.940 175.429 176.300 0.116 0.000 0.987 30 R CA -0.866 55.290 56.100 0.093 0.000 0.901 30 R CB 2.697 33.050 30.300 0.087 0.000 1.207 30 R HN 0.342 nan 8.270 nan 0.000 0.463 31 V N 4.539 124.529 119.914 0.126 0.000 2.425 31 V HA -0.020 4.101 4.120 0.001 0.000 0.276 31 V C 1.652 177.802 176.094 0.094 0.000 1.017 31 V CA 0.433 62.818 62.300 0.141 0.000 1.062 31 V CB 0.213 32.139 31.823 0.171 0.000 0.997 31 V HN 0.717 nan 8.190 nan 0.000 0.476 32 L N 3.832 125.109 121.223 0.090 0.000 2.156 32 L HA 0.043 4.384 4.340 0.001 0.000 0.208 32 L C 0.796 177.689 176.870 0.038 0.000 1.095 32 L CA 1.034 55.907 54.840 0.055 0.000 0.770 32 L CB 0.111 42.206 42.059 0.060 0.000 0.914 32 L HN 0.889 nan 8.230 nan 0.000 0.439 33 S N -1.045 114.683 115.700 0.047 0.000 2.582 33 S HA 0.457 4.928 4.470 0.001 0.000 0.287 33 S C -1.040 173.577 174.600 0.028 0.000 1.146 33 S CA -0.872 57.345 58.200 0.028 0.000 0.941 33 S CB 1.636 64.847 63.200 0.018 0.000 1.115 33 S HN 0.006 nan 8.310 nan 0.000 0.458 34 I N 1.737 122.312 120.570 0.008 0.000 2.569 34 I HA 0.956 5.127 4.170 0.001 0.000 0.296 34 I C -0.064 176.037 176.117 -0.026 0.000 1.028 34 I CA 0.243 61.535 61.300 -0.014 0.000 1.082 34 I CB 1.664 39.637 38.000 -0.045 0.000 1.264 34 I HN 1.308 nan 8.210 nan 0.000 0.429 35 G N 4.398 113.178 108.800 -0.034 0.000 2.443 35 G HA2 0.362 4.323 3.960 0.001 0.000 0.303 35 G HA3 0.362 4.323 3.960 0.001 0.000 0.303 35 G C -1.368 173.508 174.900 -0.040 0.000 1.613 35 G CA -0.542 44.537 45.100 -0.036 0.000 0.879 35 G HN 0.689 nan 8.290 nan 0.000 0.632 36 D N -0.193 120.180 120.400 -0.044 0.000 2.723 36 D HA -0.144 4.497 4.640 0.001 0.000 0.236 36 D C 1.637 177.905 176.300 -0.054 0.000 1.138 36 D CA 2.708 56.679 54.000 -0.047 0.000 0.676 36 D CB -1.251 39.522 40.800 -0.045 0.000 1.069 36 D HN 2.292 nan 8.370 nan 0.000 0.430 37 G N -0.844 107.921 108.800 -0.059 0.000 2.187 37 G HA2 -0.306 3.654 3.960 0.001 0.000 0.261 37 G HA3 -0.306 3.654 3.960 0.001 0.000 0.261 37 G C 0.215 175.090 174.900 -0.041 0.000 1.000 37 G CA 0.474 45.538 45.100 -0.061 0.000 0.718 37 G HN 0.538 nan 8.290 nan 0.000 0.519 38 I N 0.581 121.132 120.570 -0.033 0.000 2.382 38 I HA 0.649 4.820 4.170 0.001 0.000 0.286 38 I C 0.356 176.483 176.117 0.018 0.000 1.002 38 I CA -0.985 60.311 61.300 -0.005 0.000 1.135 38 I CB 1.349 39.337 38.000 -0.021 0.000 1.288 38 I HN 0.279 nan 8.210 nan 0.000 0.448 39 A N 7.664 130.531 122.820 0.079 0.000 2.273 39 A HA 0.645 4.965 4.320 0.001 0.000 0.315 39 A C -0.076 177.585 177.584 0.128 0.000 1.256 39 A CA -0.754 51.361 52.037 0.130 0.000 0.851 39 A CB 0.750 19.927 19.000 0.295 0.000 1.172 39 A HN 0.568 nan 8.150 nan 0.000 0.508 40 R N 2.203 122.758 120.500 0.092 0.000 2.196 40 R HA 0.400 4.741 4.340 0.001 0.000 0.340 40 R C -0.959 175.400 176.300 0.099 0.000 1.043 40 R CA -0.175 55.972 56.100 0.078 0.000 0.883 40 R CB 1.015 31.346 30.300 0.053 0.000 1.078 40 R HN 0.442 nan 8.270 nan 0.000 0.462 41 V N 3.476 123.446 119.914 0.093 0.000 2.459 41 V HA 0.147 4.268 4.120 0.001 0.000 0.295 41 V C 0.014 176.164 176.094 0.093 0.000 1.029 41 V CA -0.943 61.413 62.300 0.094 0.000 0.874 41 V CB 1.539 33.393 31.823 0.051 0.000 0.985 41 V HN 0.668 nan 8.190 nan 0.000 0.438 42 H N 2.855 121.935 119.070 0.017 0.000 2.582 42 H HA 0.633 5.189 4.556 0.001 0.000 0.345 42 H C 0.603 175.930 175.328 -0.002 0.000 1.104 42 H CA 1.501 57.554 56.048 0.008 0.000 1.390 42 H CB 1.059 30.827 29.762 0.010 0.000 1.461 42 H HN 1.051 nan 8.280 nan 0.000 0.551 43 G N 2.800 111.248 108.800 -0.586 0.000 2.545 43 G HA2 -0.229 3.731 3.960 0.001 0.000 0.240 43 G HA3 -0.229 3.731 3.960 0.001 0.000 0.240 43 G C -0.001 174.782 174.900 -0.195 0.000 1.172 43 G CA -0.348 44.522 45.100 -0.385 0.000 0.949 43 G HN 1.181 nan 8.290 nan 0.000 0.574 44 L N -0.273 120.874 121.223 -0.127 0.000 3.737 44 L HA -0.216 4.125 4.340 0.001 0.000 0.418 44 L C 2.191 179.012 176.870 -0.082 0.000 1.216 44 L CA 0.780 55.565 54.840 -0.092 0.000 0.915 44 L CB -0.789 41.219 42.059 -0.086 0.000 1.834 44 L HN 0.623 nan 8.230 nan 0.000 0.943 45 R N 0.178 120.626 120.500 -0.087 0.000 2.261 45 R HA -0.068 4.273 4.340 0.001 0.000 0.236 45 R C 1.294 177.565 176.300 -0.048 0.000 1.141 45 R CA 1.106 57.164 56.100 -0.070 0.000 1.001 45 R CB -0.396 29.864 30.300 -0.067 0.000 0.866 45 R HN 0.603 nan 8.270 nan 0.000 0.468 46 N N 0.497 119.170 118.700 -0.045 0.000 2.214 46 N HA 0.018 4.759 4.740 0.001 0.000 0.214 46 N C -0.081 175.410 175.510 -0.033 0.000 1.132 46 N CA 0.035 53.064 53.050 -0.034 0.000 0.856 46 N CB 0.967 39.435 38.487 -0.031 0.000 1.020 46 N HN -0.022 nan 8.380 nan 0.000 0.509 47 V N -0.051 119.840 119.914 -0.038 0.000 2.655 47 V HA 0.152 4.273 4.120 0.001 0.000 0.300 47 V C 0.409 176.490 176.094 -0.021 0.000 1.044 47 V CA -0.568 61.711 62.300 -0.034 0.000 1.095 47 V CB 0.512 32.310 31.823 -0.041 0.000 0.952 47 V HN 0.037 nan 8.190 nan 0.000 0.485 48 Q N 2.798 122.588 119.800 -0.016 0.000 2.260 48 Q HA 0.661 5.001 4.340 0.001 0.000 0.242 48 Q C 0.363 176.364 176.000 0.003 0.000 0.932 48 Q CA -0.319 55.482 55.803 -0.005 0.000 0.891 48 Q CB 1.542 30.279 28.738 -0.003 0.000 1.222 48 Q HN 1.105 nan 8.270 nan 0.000 0.453 49 A N 1.797 124.625 122.820 0.014 0.000 2.498 49 A HA 0.094 4.414 4.320 0.001 0.000 0.239 49 A C 0.040 177.645 177.584 0.035 0.000 1.068 49 A CA 0.021 52.074 52.037 0.026 0.000 0.766 49 A CB -0.116 18.905 19.000 0.035 0.000 1.003 49 A HN 0.939 nan 8.150 nan 0.000 0.497 50 E N -0.902 119.327 120.200 0.049 0.000 2.637 50 E HA -0.179 4.171 4.350 0.001 0.000 0.265 50 E C -0.071 176.557 176.600 0.046 0.000 1.073 50 E CA 1.425 57.866 56.400 0.068 0.000 0.778 50 E CB -1.175 28.571 29.700 0.077 0.000 1.362 50 E HN 0.764 nan 8.360 nan 0.000 0.413 51 E N 0.453 120.667 120.200 0.023 0.000 2.175 51 E HA 0.224 4.574 4.350 0.001 0.000 0.278 51 E C -0.012 176.573 176.600 -0.026 0.000 0.969 51 E CA -0.675 55.722 56.400 -0.006 0.000 0.796 51 E CB 0.677 30.366 29.700 -0.018 0.000 1.104 51 E HN 0.046 nan 8.360 nan 0.000 0.395 52 M N 4.067 123.633 119.600 -0.058 0.000 2.238 52 M HA 0.061 4.542 4.480 0.001 0.000 0.350 52 M C 0.163 176.394 176.300 -0.116 0.000 1.321 52 M CA 0.164 55.395 55.300 -0.115 0.000 1.097 52 M CB 0.431 32.932 32.600 -0.165 0.000 1.713 52 M HN 0.407 nan 8.290 nan 0.000 0.455 53 V N 1.396 121.226 119.914 -0.139 0.000 3.204 53 V HA 0.725 4.845 4.120 0.001 0.000 0.316 53 V C -0.724 175.247 176.094 -0.205 0.000 1.160 53 V CA -0.862 61.324 62.300 -0.190 0.000 1.044 53 V CB 2.159 33.821 31.823 -0.269 0.000 1.136 53 V HN 0.883 nan 8.190 nan 0.000 0.455 54 E N -0.132 119.913 120.200 -0.259 0.000 2.274 54 E HA 0.527 4.877 4.350 0.001 0.000 0.269 54 E C -1.773 174.700 176.600 -0.212 0.000 0.891 54 E CA -0.566 55.742 56.400 -0.154 0.000 0.784 54 E CB 1.730 31.387 29.700 -0.072 0.000 1.225 54 E HN 0.599 nan 8.360 nan 0.000 0.412 55 F N 1.162 121.116 119.950 0.008 0.000 2.375 55 F HA 0.169 4.696 4.527 0.001 0.000 0.313 55 F C 1.957 177.763 175.800 0.011 0.000 1.176 55 F CA -0.173 57.835 58.000 0.014 0.000 1.142 55 F CB 0.993 40.007 39.000 0.024 0.000 1.275 55 F HN 0.470 nan 8.300 nan 0.000 0.544 56 S N 0.159 115.995 115.700 0.226 0.000 2.372 56 S HA -0.239 4.232 4.470 0.001 0.000 0.227 56 S C 1.990 176.654 174.600 0.106 0.000 1.044 56 S CA 1.972 60.246 58.200 0.124 0.000 1.050 56 S CB -0.653 62.609 63.200 0.104 0.000 0.901 56 S HN 0.706 nan 8.310 nan 0.000 0.447 57 S N 0.273 116.045 115.700 0.121 0.000 2.555 57 S HA 0.296 4.767 4.470 0.001 0.000 0.230 57 S C 1.557 176.204 174.600 0.079 0.000 0.978 57 S CA 0.732 58.979 58.200 0.077 0.000 0.934 57 S CB -0.220 63.009 63.200 0.047 0.000 0.766 57 S HN 0.880 nan 8.310 nan 0.000 0.533 58 G N 0.027 108.891 108.800 0.107 0.000 2.176 58 G HA2 -0.202 3.759 3.960 0.001 0.000 0.232 58 G HA3 -0.202 3.759 3.960 0.001 0.000 0.232 58 G C -0.114 174.852 174.900 0.110 0.000 0.986 58 G CA -0.072 45.079 45.100 0.086 0.000 0.643 58 G HN 0.405 nan 8.290 nan 0.000 0.522 59 L N 1.093 122.415 121.223 0.165 0.000 2.467 59 L HA 0.482 4.822 4.340 0.001 0.000 0.270 59 L C 0.946 177.984 176.870 0.280 0.000 1.205 59 L CA 0.288 55.249 54.840 0.203 0.000 0.828 59 L CB 0.474 42.631 42.059 0.164 0.000 1.101 59 L HN 0.033 nan 8.230 nan 0.000 0.479 60 K N 0.907 121.439 120.400 0.220 0.000 2.168 60 K HA 0.860 5.181 4.320 0.001 0.000 0.239 60 K C -0.070 176.716 176.600 0.310 0.000 0.999 60 K CA -0.547 55.806 56.287 0.109 0.000 0.900 60 K CB 1.625 34.014 32.500 -0.184 0.000 1.111 60 K HN 0.751 nan 8.250 nan 0.000 0.452 61 G N 0.152 109.052 108.800 0.167 0.000 2.601 61 G HA2 0.551 4.511 3.960 0.001 0.000 0.291 61 G HA3 0.551 4.511 3.960 0.001 0.000 0.291 61 G C -1.440 173.576 174.900 0.194 0.000 1.456 61 G CA -0.747 44.603 45.100 0.416 0.000 0.804 61 G HN 0.331 nan 8.290 nan 0.000 0.499 62 M N 0.864 120.658 119.600 0.322 0.000 2.465 62 M HA 0.375 4.855 4.480 0.001 0.000 0.316 62 M C -0.168 176.207 176.300 0.125 0.000 1.121 62 M CA -0.728 54.693 55.300 0.201 0.000 0.934 62 M CB 2.461 35.251 32.600 0.317 0.000 1.692 62 M HN 0.386 nan 8.290 nan 0.000 0.444 63 S N 4.100 119.839 115.700 0.065 0.000 3.483 63 S HA 0.265 4.736 4.470 0.001 0.000 0.274 63 S C 1.015 175.640 174.600 0.041 0.000 1.289 63 S CA -0.376 57.847 58.200 0.039 0.000 0.938 63 S CB -0.329 62.876 63.200 0.009 0.000 1.453 63 S HN 0.611 nan 8.310 nan 0.000 0.494 64 L N 1.152 122.397 121.223 0.036 0.000 2.375 64 L HA 0.211 4.552 4.340 0.001 0.000 0.215 64 L C 0.264 177.143 176.870 0.015 0.000 1.108 64 L CA 0.421 55.274 54.840 0.022 0.000 0.830 64 L CB -0.133 41.913 42.059 -0.023 0.000 0.959 64 L HN 0.358 nan 8.230 nan 0.000 0.457 65 N N 0.412 119.118 118.700 0.010 0.000 2.442 65 N HA 0.438 5.178 4.740 0.001 0.000 0.274 65 N C -1.162 174.354 175.510 0.010 0.000 1.002 65 N CA -0.165 52.890 53.050 0.008 0.000 0.910 65 N CB 1.557 40.043 38.487 -0.001 0.000 1.244 65 N HN -0.021 nan 8.380 nan 0.000 0.492 66 L N 2.134 123.363 121.223 0.010 0.000 2.262 66 L HA 0.463 4.803 4.340 0.001 0.000 0.288 66 L C 0.108 176.980 176.870 0.004 0.000 1.035 66 L CA -0.340 54.503 54.840 0.005 0.000 0.820 66 L CB 0.939 43.000 42.059 0.004 0.000 1.204 66 L HN 0.407 nan 8.230 nan 0.000 0.424 67 E N 3.505 123.707 120.200 0.003 0.000 2.299 67 E HA 0.338 4.689 4.350 0.001 0.000 0.265 67 E C -1.759 174.844 176.600 0.004 0.000 0.911 67 E CA -1.717 54.687 56.400 0.005 0.000 0.789 67 E CB 2.134 31.840 29.700 0.009 0.000 1.246 67 E HN 0.253 nan 8.360 nan 0.000 0.427 68 P HA -0.215 nan 4.420 nan 0.000 0.215 68 P C 0.413 177.719 177.300 0.010 0.000 1.163 68 P CA 1.553 64.657 63.100 0.006 0.000 0.894 68 P CB 0.144 31.850 31.700 0.010 0.000 0.791 69 D N -2.590 117.825 120.400 0.026 0.000 2.379 69 D HA 0.042 4.683 4.640 0.001 0.000 0.208 69 D C 0.393 176.738 176.300 0.074 0.000 1.065 69 D CA -0.048 53.986 54.000 0.055 0.000 0.848 69 D CB -0.680 40.160 40.800 0.066 0.000 0.949 69 D HN 0.377 nan 8.370 nan 0.000 0.509 70 N N -1.458 117.265 118.700 0.039 0.000 3.243 70 N HA 0.499 5.240 4.740 0.001 0.000 0.280 70 N C -1.911 173.608 175.510 0.014 0.000 1.545 70 N CA -1.013 52.062 53.050 0.041 0.000 0.854 70 N CB 1.670 40.193 38.487 0.061 0.000 1.612 70 N HN -0.206 nan 8.380 nan 0.000 0.577 71 V N -0.527 119.398 119.914 0.019 0.000 2.623 71 V HA 0.747 4.867 4.120 0.001 0.000 0.304 71 V C 0.063 176.177 176.094 0.033 0.000 1.054 71 V CA -0.700 61.608 62.300 0.014 0.000 0.882 71 V CB 1.465 33.285 31.823 -0.004 0.000 1.002 71 V HN 0.928 nan 8.190 nan 0.000 0.424 72 G N 3.573 112.391 108.800 0.029 0.000 2.356 72 G HA2 0.525 4.486 3.960 0.001 0.000 0.300 72 G HA3 0.525 4.486 3.960 0.001 0.000 0.300 72 G C -0.730 174.200 174.900 0.050 0.000 1.107 72 G CA -0.196 44.926 45.100 0.036 0.000 0.960 72 G HN 0.522 nan 8.290 nan 0.000 0.418 73 V N 3.896 123.867 119.914 0.096 0.000 2.417 73 V HA 0.328 4.449 4.120 0.001 0.000 0.291 73 V C 0.453 176.642 176.094 0.159 0.000 1.024 73 V CA -0.774 61.613 62.300 0.145 0.000 0.861 73 V CB 1.734 33.681 31.823 0.208 0.000 0.985 73 V HN 0.750 nan 8.190 nan 0.000 0.436 74 V N 4.292 124.286 119.914 0.134 0.000 2.455 74 V HA 0.486 4.607 4.120 0.001 0.000 0.273 74 V C 0.080 176.288 176.094 0.190 0.000 1.045 74 V CA -0.473 61.878 62.300 0.084 0.000 0.976 74 V CB 1.012 32.818 31.823 -0.027 0.000 0.993 74 V HN 0.476 nan 8.190 nan 0.000 0.475 75 V N 5.899 125.878 119.914 0.108 0.000 2.508 75 V HA 0.222 4.343 4.120 0.001 0.000 0.281 75 V C 0.257 176.425 176.094 0.124 0.000 1.041 75 V CA 0.066 62.450 62.300 0.141 0.000 1.016 75 V CB 0.419 32.215 31.823 -0.046 0.000 0.984 75 V HN 0.786 nan 8.190 nan 0.000 0.478 76 F N 4.885 124.885 119.950 0.084 0.000 2.626 76 F HA 0.608 5.136 4.527 0.001 0.000 0.353 76 F C 1.034 176.860 175.800 0.044 0.000 1.230 76 F CA 0.707 58.752 58.000 0.076 0.000 1.298 76 F CB 0.113 39.173 39.000 0.101 0.000 1.670 76 F HN 0.799 nan 8.300 nan 0.000 0.633 77 G N 1.015 109.870 108.800 0.092 0.000 2.302 77 G HA2 -0.096 3.865 3.960 0.001 0.000 0.264 77 G HA3 -0.096 3.865 3.960 0.001 0.000 0.264 77 G C -1.456 173.442 174.900 -0.004 0.000 1.335 77 G CA -1.218 43.913 45.100 0.051 0.000 0.982 77 G HN 0.186 nan 8.290 nan 0.000 0.473 78 N N 1.284 119.977 118.700 -0.012 0.000 2.458 78 N HA 0.308 5.049 4.740 0.001 0.000 0.270 78 N C 0.777 176.246 175.510 -0.068 0.000 1.102 78 N CA 0.418 53.448 53.050 -0.033 0.000 0.967 78 N CB 1.278 39.753 38.487 -0.021 0.000 1.078 78 N HN 0.530 nan 8.380 nan 0.000 0.471 79 D N 2.089 122.439 120.400 -0.083 0.000 2.336 79 D HA -0.089 4.552 4.640 0.001 0.000 0.229 79 D C 1.293 177.532 176.300 -0.102 0.000 1.061 79 D CA 0.492 54.418 54.000 -0.124 0.000 0.875 79 D CB 0.013 40.744 40.800 -0.115 0.000 0.904 79 D HN 0.691 nan 8.370 nan 0.000 0.525 80 K N 0.730 121.089 120.400 -0.069 0.000 2.097 80 K HA -0.092 4.229 4.320 0.001 0.000 0.205 80 K C 1.700 178.268 176.600 -0.054 0.000 1.050 80 K CA 0.765 57.022 56.287 -0.051 0.000 0.938 80 K CB -0.435 32.045 32.500 -0.033 0.000 0.718 80 K HN 0.169 nan 8.250 nan 0.000 0.442 81 L N 1.179 122.364 121.223 -0.064 0.000 2.291 81 L HA 0.079 4.420 4.340 0.001 0.000 0.214 81 L C 0.925 177.753 176.870 -0.070 0.000 1.120 81 L CA 0.458 55.267 54.840 -0.052 0.000 0.799 81 L CB -0.120 41.914 42.059 -0.042 0.000 0.925 81 L HN 0.169 nan 8.230 nan 0.000 0.446 82 I N 0.034 120.522 120.570 -0.137 0.000 2.342 82 I HA 0.124 4.294 4.170 0.001 0.000 0.291 82 I C 0.286 176.359 176.117 -0.074 0.000 1.010 82 I CA 0.095 61.302 61.300 -0.155 0.000 1.308 82 I CB 0.846 38.609 38.000 -0.395 0.000 1.400 82 I HN 0.014 nan 8.210 nan 0.000 0.488 83 K N 4.220 124.610 120.400 -0.018 0.000 2.312 83 K HA 0.385 4.706 4.320 0.001 0.000 0.236 83 K C -0.494 176.120 176.600 0.023 0.000 1.079 83 K CA -0.945 55.341 56.287 -0.001 0.000 0.900 83 K CB 1.494 33.997 32.500 0.005 0.000 1.297 83 K HN 0.506 nan 8.250 nan 0.000 0.498 84 E N -0.077 120.135 120.200 0.020 0.000 2.344 84 E HA 0.096 4.447 4.350 0.001 0.000 0.270 84 E C 0.232 176.854 176.600 0.037 0.000 1.021 84 E CA 0.705 57.123 56.400 0.029 0.000 0.887 84 E CB 0.288 29.997 29.700 0.015 0.000 0.997 84 E HN 0.737 nan 8.360 nan 0.000 0.429 85 G N 3.930 112.760 108.800 0.050 0.000 2.143 85 G HA2 -0.242 3.719 3.960 0.001 0.000 0.248 85 G HA3 -0.242 3.719 3.960 0.001 0.000 0.248 85 G C -0.421 174.516 174.900 0.062 0.000 0.991 85 G CA 0.224 45.354 45.100 0.049 0.000 0.689 85 G HN 0.653 nan 8.290 nan 0.000 0.522 86 D N 0.661 121.114 120.400 0.087 0.000 2.389 86 D HA 0.390 5.031 4.640 0.001 0.000 0.247 86 D C 1.296 177.663 176.300 0.111 0.000 1.128 86 D CA -0.272 53.793 54.000 0.109 0.000 0.884 86 D CB 0.598 41.490 40.800 0.153 0.000 1.194 86 D HN 0.172 nan 8.370 nan 0.000 0.441 87 I N 2.696 123.313 120.570 0.079 0.000 2.505 87 I HA 0.045 4.216 4.170 0.001 0.000 0.287 87 I C 0.101 176.226 176.117 0.013 0.000 1.104 87 I CA -0.184 61.141 61.300 0.043 0.000 1.387 87 I CB -0.232 37.784 38.000 0.027 0.000 1.404 87 I HN 0.011 nan 8.210 nan 0.000 0.528 88 V N 7.994 127.884 119.914 -0.040 0.000 2.370 88 V HA 0.324 4.445 4.120 0.001 0.000 0.279 88 V C 0.365 176.371 176.094 -0.146 0.000 1.029 88 V CA -0.777 61.419 62.300 -0.173 0.000 0.870 88 V CB 1.386 33.057 31.823 -0.252 0.000 0.984 88 V HN 0.639 nan 8.190 nan 0.000 0.451 89 K N 4.426 124.730 120.400 -0.159 0.000 2.244 89 K HA 0.558 4.879 4.320 0.001 0.000 0.260 89 K C -0.318 176.211 176.600 -0.117 0.000 0.951 89 K CA -0.794 55.428 56.287 -0.107 0.000 0.826 89 K CB 2.180 34.638 32.500 -0.070 0.000 1.108 89 K HN 0.524 nan 8.250 nan 0.000 0.433 90 R N 1.178 121.623 120.500 -0.090 0.000 2.389 90 R HA 0.076 4.416 4.340 0.001 0.000 0.295 90 R C 0.216 176.478 176.300 -0.062 0.000 1.075 90 R CA 0.245 56.299 56.100 -0.078 0.000 1.005 90 R CB 0.495 30.758 30.300 -0.063 0.000 0.987 90 R HN 0.720 nan 8.270 nan 0.000 0.452 91 T N -1.223 113.294 114.554 -0.061 0.000 3.288 91 T HA 0.192 4.542 4.350 0.001 0.000 0.293 91 T C 0.986 175.660 174.700 -0.043 0.000 1.008 91 T CA -0.009 62.063 62.100 -0.048 0.000 0.929 91 T CB 0.927 69.767 68.868 -0.047 0.000 1.152 91 T HN 0.788 nan 8.240 nan 0.000 0.517 92 G N 1.637 110.411 108.800 -0.043 0.000 2.283 92 G HA2 -0.058 3.903 3.960 0.001 0.000 0.280 92 G HA3 -0.058 3.903 3.960 0.001 0.000 0.280 92 G C 0.363 175.241 174.900 -0.036 0.000 1.029 92 G CA -0.146 44.933 45.100 -0.036 0.000 0.840 92 G HN 1.253 nan 8.290 nan 0.000 0.505 93 A N 0.038 122.830 122.820 -0.046 0.000 2.477 93 A HA 0.582 4.903 4.320 0.001 0.000 0.246 93 A C 0.628 178.187 177.584 -0.041 0.000 1.078 93 A CA 0.056 52.063 52.037 -0.049 0.000 0.770 93 A CB 0.283 19.241 19.000 -0.070 0.000 1.011 93 A HN 0.694 nan 8.150 nan 0.000 0.494 94 I N 3.712 124.261 120.570 -0.035 0.000 2.330 94 I HA 0.131 4.301 4.170 0.001 0.000 0.289 94 I C 0.436 176.536 176.117 -0.028 0.000 1.001 94 I CA -0.520 60.764 61.300 -0.025 0.000 1.193 94 I CB 0.959 38.949 38.000 -0.017 0.000 1.345 94 I HN 0.362 nan 8.210 nan 0.000 0.461 95 V N 8.314 128.212 119.914 -0.026 0.000 2.324 95 V HA 0.095 4.215 4.120 0.001 0.000 0.244 95 V C -0.272 175.818 176.094 -0.006 0.000 1.144 95 V CA 0.209 62.494 62.300 -0.025 0.000 1.158 95 V CB -0.697 31.119 31.823 -0.012 0.000 1.254 95 V HN 0.866 nan 8.190 nan 0.000 0.492 96 D N 5.330 125.725 120.400 -0.008 0.000 2.601 96 D HA 0.535 5.176 4.640 0.001 0.000 0.230 96 D C -0.509 175.794 176.300 0.004 0.000 1.106 96 D CA -0.494 53.507 54.000 0.002 0.000 0.873 96 D CB 2.195 42.993 40.800 -0.003 0.000 1.515 96 D HN 0.434 nan 8.370 nan 0.000 0.468 97 V N -3.175 116.746 119.914 0.011 0.000 2.715 97 V HA 0.680 4.800 4.120 0.001 0.000 0.310 97 V C -2.724 173.364 176.094 -0.011 0.000 1.054 97 V CA -2.322 59.984 62.300 0.010 0.000 0.928 97 V CB 1.482 33.323 31.823 0.030 0.000 1.007 97 V HN 0.470 nan 8.190 nan 0.000 0.437 98 P HA 0.237 nan 4.420 nan 0.000 0.266 98 P C -0.627 176.626 177.300 -0.078 0.000 1.195 98 P CA 0.322 63.392 63.100 -0.051 0.000 0.768 98 P CB 1.359 33.033 31.700 -0.043 0.000 0.838 99 V N 1.771 121.597 119.914 -0.146 0.000 3.049 99 V HA 0.845 4.966 4.120 0.001 0.000 0.309 99 V C -0.080 175.701 176.094 -0.521 0.000 1.148 99 V CA 0.489 62.642 62.300 -0.246 0.000 0.990 99 V CB 1.834 33.561 31.823 -0.160 0.000 1.039 99 V HN 1.041 nan 8.190 nan 0.000 0.430 100 G N 3.738 112.004 108.800 -0.890 0.000 2.408 100 G HA2 -0.044 3.917 3.960 0.001 0.000 0.682 100 G HA3 -0.044 3.917 3.960 0.001 0.000 0.682 100 G C -0.037 174.440 174.900 -0.704 0.000 1.303 100 G CA 0.026 44.274 45.100 -1.419 0.000 0.966 100 G HN 0.773 nan 8.290 nan 0.000 0.560 101 E N -0.043 119.851 120.200 -0.509 0.000 2.418 101 E HA -0.031 4.320 4.350 0.001 0.000 0.197 101 E C 1.826 178.395 176.600 -0.053 0.000 1.026 101 E CA 1.228 57.554 56.400 -0.124 0.000 0.862 101 E CB 0.139 29.827 29.700 -0.020 0.000 0.799 101 E HN 0.572 nan 8.360 nan 0.000 0.518 102 E N 0.627 120.761 120.200 -0.109 0.000 2.268 102 E HA -0.096 4.255 4.350 0.001 0.000 0.195 102 E C 1.742 178.325 176.600 -0.028 0.000 0.995 102 E CA 0.541 56.907 56.400 -0.056 0.000 0.836 102 E CB -0.011 29.644 29.700 -0.075 0.000 0.763 102 E HN 0.248 nan 8.360 nan 0.000 0.491 103 L N 0.050 121.253 121.223 -0.034 0.000 2.341 103 L HA 0.051 4.392 4.340 0.001 0.000 0.214 103 L C 0.437 177.335 176.870 0.048 0.000 1.115 103 L CA -0.096 54.746 54.840 0.004 0.000 0.820 103 L CB -0.177 41.881 42.059 -0.002 0.000 0.944 103 L HN 0.082 nan 8.230 nan 0.000 0.452 104 L N 0.790 122.063 121.223 0.084 0.000 2.559 104 L HA 0.079 4.420 4.340 0.001 0.000 0.274 104 L C 1.302 178.217 176.870 0.074 0.000 1.205 104 L CA 0.842 55.750 54.840 0.114 0.000 0.907 104 L CB 0.018 42.186 42.059 0.182 0.000 1.153 104 L HN 0.349 nan 8.230 nan 0.000 0.490 105 G N 1.870 110.698 108.800 0.047 0.000 2.194 105 G HA2 -0.184 3.776 3.960 0.001 0.000 0.236 105 G HA3 -0.184 3.776 3.960 0.001 0.000 0.236 105 G C 0.282 175.190 174.900 0.012 0.000 0.987 105 G CA -0.579 44.532 45.100 0.018 0.000 0.635 105 G HN 0.448 nan 8.290 nan 0.000 0.520 106 R N -0.171 120.342 120.500 0.021 0.000 2.720 106 R HA 0.685 5.026 4.340 0.001 0.000 0.272 106 R C -0.289 176.025 176.300 0.023 0.000 0.991 106 R CA -0.703 55.408 56.100 0.018 0.000 1.010 106 R CB 1.643 31.953 30.300 0.017 0.000 1.141 106 R HN 0.264 nan 8.270 nan 0.000 0.494 107 V N 2.819 122.747 119.914 0.022 0.000 2.257 107 V HA 0.189 4.310 4.120 0.001 0.000 0.269 107 V C 0.483 176.596 176.094 0.031 0.000 1.040 107 V CA -0.785 61.533 62.300 0.030 0.000 0.813 107 V CB 0.845 32.686 31.823 0.029 0.000 1.065 107 V HN 0.559 nan 8.190 nan 0.000 0.457 108 V N 1.317 121.251 119.914 0.034 0.000 3.134 108 V HA 0.684 4.805 4.120 0.001 0.000 0.313 108 V C 0.313 176.430 176.094 0.039 0.000 1.069 108 V CA -0.625 61.695 62.300 0.033 0.000 1.048 108 V CB 1.786 33.626 31.823 0.029 0.000 1.119 108 V HN 0.745 nan 8.190 nan 0.000 0.461 109 D N 1.658 122.083 120.400 0.043 0.000 2.478 109 D HA 0.337 4.978 4.640 0.001 0.000 0.274 109 D C 1.174 177.511 176.300 0.061 0.000 1.234 109 D CA 0.070 54.101 54.000 0.052 0.000 1.069 109 D CB 1.423 42.258 40.800 0.058 0.000 1.113 109 D HN 0.811 nan 8.370 nan 0.000 0.571 110 A N -0.625 122.240 122.820 0.075 0.000 2.131 110 A HA -0.046 4.275 4.320 0.001 0.000 0.220 110 A C 2.083 179.732 177.584 0.108 0.000 1.158 110 A CA 0.996 53.087 52.037 0.090 0.000 0.665 110 A CB -0.628 18.435 19.000 0.104 0.000 0.795 110 A HN 0.498 nan 8.150 nan 0.000 0.460 111 L N -2.607 118.678 121.223 0.103 0.000 3.016 111 L HA 0.359 4.700 4.340 0.001 0.000 0.267 111 L C 1.420 178.324 176.870 0.057 0.000 1.182 111 L CA 0.585 55.481 54.840 0.094 0.000 0.997 111 L CB 0.729 42.855 42.059 0.112 0.000 1.354 111 L HN 0.487 nan 8.230 nan 0.000 0.569 112 G N -0.660 108.169 108.800 0.049 0.000 2.213 112 G HA2 -0.249 3.712 3.960 0.001 0.000 0.226 112 G HA3 -0.249 3.712 3.960 0.001 0.000 0.226 112 G C 0.049 174.964 174.900 0.023 0.000 0.992 112 G CA -0.367 44.750 45.100 0.029 0.000 0.632 112 G HN 0.312 nan 8.290 nan 0.000 0.511 113 N N 1.520 120.239 118.700 0.031 0.000 2.458 113 N HA 0.508 5.249 4.740 0.001 0.000 0.258 113 N C 0.542 176.068 175.510 0.026 0.000 1.219 113 N CA 0.772 53.838 53.050 0.027 0.000 0.902 113 N CB 1.052 39.560 38.487 0.035 0.000 1.076 113 N HN 0.852 nan 8.380 nan 0.000 0.455 114 A N 1.702 124.534 122.820 0.020 0.000 2.450 114 A HA 0.349 4.670 4.320 0.001 0.000 0.255 114 A C 1.112 178.710 177.584 0.022 0.000 1.096 114 A CA -0.368 51.681 52.037 0.019 0.000 0.778 114 A CB -0.503 18.505 19.000 0.013 0.000 1.031 114 A HN 0.833 nan 8.150 nan 0.000 0.494 115 I N -0.740 119.845 120.570 0.024 0.000 3.966 115 I HA 0.273 4.443 4.170 0.001 0.000 0.324 115 I C 0.093 176.222 176.117 0.021 0.000 1.517 115 I CA -0.204 61.111 61.300 0.024 0.000 1.117 115 I CB 0.612 38.630 38.000 0.030 0.000 1.190 115 I HN 0.424 nan 8.210 nan 0.000 0.466 116 D N 1.043 121.454 120.400 0.018 0.000 2.388 116 D HA 0.158 4.799 4.640 0.001 0.000 0.221 116 D C 1.434 177.740 176.300 0.011 0.000 1.133 116 D CA 0.082 54.090 54.000 0.014 0.000 0.831 116 D CB 0.078 40.885 40.800 0.013 0.000 0.962 116 D HN 0.395 nan 8.370 nan 0.000 0.502 117 G N 1.221 110.028 108.800 0.011 0.000 2.305 117 G HA2 -0.356 3.605 3.960 0.001 0.000 0.287 117 G HA3 -0.356 3.605 3.960 0.001 0.000 0.287 117 G C 0.463 175.368 174.900 0.007 0.000 1.036 117 G CA 0.454 45.560 45.100 0.009 0.000 0.887 117 G HN 0.481 nan 8.290 nan 0.000 0.505 118 K N -0.174 120.231 120.400 0.008 0.000 2.646 118 K HA 0.488 4.809 4.320 0.001 0.000 0.206 118 K C 1.308 177.911 176.600 0.006 0.000 1.069 118 K CA 0.064 56.355 56.287 0.006 0.000 1.067 118 K CB 0.753 33.257 32.500 0.006 0.000 0.807 118 K HN 1.402 nan 8.250 nan 0.000 0.482 119 G N 2.435 111.238 108.800 0.006 0.000 2.741 119 G HA2 -0.223 3.738 3.960 0.001 0.000 0.222 119 G HA3 -0.223 3.738 3.960 0.001 0.000 0.222 119 G C -2.656 172.247 174.900 0.004 0.000 1.364 119 G CA -1.174 43.929 45.100 0.005 0.000 0.866 119 G HN 0.077 nan 8.290 nan 0.000 0.555 120 P HA 0.557 nan 4.420 nan 0.000 0.274 120 P C -0.073 177.225 177.300 -0.004 0.000 1.246 120 P CA -0.467 62.632 63.100 -0.001 0.000 0.795 120 P CB 0.363 32.062 31.700 -0.003 0.000 1.006 121 I N 0.065 120.630 120.570 -0.008 0.000 2.353 121 I HA 0.324 4.495 4.170 0.001 0.000 0.293 121 I C 1.558 177.661 176.117 -0.022 0.000 0.992 121 I CA 0.018 61.310 61.300 -0.015 0.000 1.268 121 I CB 0.671 38.660 38.000 -0.019 0.000 1.387 121 I HN 0.370 nan 8.210 nan 0.000 0.478 122 G N 3.807 112.593 108.800 -0.024 0.000 3.352 122 G HA2 -0.005 3.955 3.960 0.001 0.000 0.236 122 G HA3 -0.005 3.955 3.960 0.001 0.000 0.236 122 G C 0.551 175.424 174.900 -0.045 0.000 1.324 122 G CA -0.150 44.934 45.100 -0.028 0.000 1.404 122 G HN 0.592 nan 8.290 nan 0.000 0.542 123 S N -0.327 115.339 115.700 -0.055 0.000 2.533 123 S HA 0.262 4.733 4.470 0.001 0.000 0.282 123 S C 1.281 175.839 174.600 -0.072 0.000 1.304 123 S CA -0.185 57.966 58.200 -0.082 0.000 1.063 123 S CB 0.932 64.082 63.200 -0.083 0.000 0.881 123 S HN 0.289 nan 8.310 nan 0.000 0.493 124 K N 2.888 123.235 120.400 -0.087 0.000 2.312 124 K HA 0.329 4.650 4.320 0.001 0.000 0.206 124 K C 0.792 177.353 176.600 -0.066 0.000 1.121 124 K CA 0.591 56.840 56.287 -0.064 0.000 0.923 124 K CB -0.704 31.765 32.500 -0.050 0.000 1.162 124 K HN 0.674 nan 8.250 nan 0.000 0.478 125 A N 2.360 125.122 122.820 -0.095 0.000 2.388 125 A HA 0.457 4.778 4.320 0.001 0.000 0.257 125 A C -0.406 177.122 177.584 -0.093 0.000 1.095 125 A CA -0.014 51.974 52.037 -0.082 0.000 0.791 125 A CB 0.236 19.183 19.000 -0.087 0.000 1.029 125 A HN 0.190 nan 8.150 nan 0.000 0.489 126 R N 0.928 121.396 120.500 -0.053 0.000 2.564 126 R HA 0.513 4.854 4.340 0.001 0.000 0.284 126 R C -0.697 175.592 176.300 -0.018 0.000 1.031 126 R CA -0.640 55.434 56.100 -0.043 0.000 0.904 126 R CB 2.548 32.828 30.300 -0.034 0.000 1.199 126 R HN 0.838 nan 8.270 nan 0.000 0.443 127 R N 1.818 122.313 120.500 -0.009 0.000 2.637 127 R HA 0.411 4.752 4.340 0.001 0.000 0.291 127 R C -0.522 175.788 176.300 0.017 0.000 0.963 127 R CA -0.840 55.268 56.100 0.012 0.000 0.901 127 R CB 1.499 31.816 30.300 0.029 0.000 1.160 127 R HN 0.499 nan 8.270 nan 0.000 0.457 128 R N 1.094 121.606 120.500 0.019 0.000 2.643 128 R HA 0.006 4.347 4.340 0.001 0.000 0.270 128 R C 1.310 177.628 176.300 0.029 0.000 1.061 128 R CA 0.080 56.191 56.100 0.018 0.000 1.107 128 R CB 0.720 31.028 30.300 0.013 0.000 0.999 128 R HN 0.568 nan 8.270 nan 0.000 0.460 129 V N -0.541 119.387 119.914 0.023 0.000 3.235 129 V HA 0.207 4.328 4.120 0.001 0.000 0.259 129 V C 0.995 177.087 176.094 -0.002 0.000 1.133 129 V CA 1.253 63.575 62.300 0.037 0.000 1.128 129 V CB 0.343 32.190 31.823 0.040 0.000 0.757 129 V HN 0.791 nan 8.190 nan 0.000 0.469 130 G N 0.958 109.739 108.800 -0.032 0.000 4.294 130 G HA2 0.560 4.521 3.960 0.001 0.000 0.301 130 G HA3 0.560 4.521 3.960 0.001 0.000 0.301 130 G C -0.195 174.695 174.900 -0.017 0.000 1.321 130 G CA -0.343 44.718 45.100 -0.066 0.000 1.190 130 G HN 0.388 nan 8.290 nan 0.000 0.600 131 L N 0.076 121.307 121.223 0.013 0.000 2.421 131 L HA 0.436 4.777 4.340 0.001 0.000 0.263 131 L C 0.731 177.619 176.870 0.030 0.000 1.122 131 L CA -0.829 54.027 54.840 0.026 0.000 0.804 131 L CB 1.502 43.584 42.059 0.039 0.000 1.150 131 L HN 0.090 nan 8.230 nan 0.000 0.457 132 K N 1.376 121.796 120.400 0.033 0.000 2.202 132 K HA 0.481 4.802 4.320 0.001 0.000 0.264 132 K C -0.284 176.337 176.600 0.035 0.000 1.010 132 K CA -0.429 55.879 56.287 0.036 0.000 0.940 132 K CB 1.153 33.675 32.500 0.038 0.000 0.983 132 K HN 0.633 nan 8.250 nan 0.000 0.475 133 A N 4.381 127.220 122.820 0.032 0.000 2.406 133 A HA 0.288 4.609 4.320 0.001 0.000 0.243 133 A C -2.175 175.413 177.584 0.007 0.000 1.082 133 A CA -1.112 50.938 52.037 0.023 0.000 0.786 133 A CB -0.501 18.511 19.000 0.021 0.000 1.029 133 A HN 0.635 nan 8.150 nan 0.000 0.495 134 P HA 0.250 nan 4.420 nan 0.000 0.268 134 P C 0.747 178.013 177.300 -0.055 0.000 1.208 134 P CA 0.400 63.468 63.100 -0.054 0.000 0.777 134 P CB 0.435 32.078 31.700 -0.095 0.000 0.875 135 G N 1.164 109.919 108.800 -0.076 0.000 2.486 135 G HA2 0.091 4.051 3.960 0.001 0.000 0.272 135 G HA3 0.091 4.051 3.960 0.001 0.000 0.272 135 G C 0.997 175.857 174.900 -0.065 0.000 1.426 135 G CA -0.460 44.608 45.100 -0.054 0.000 1.058 135 G HN 0.359 nan 8.290 nan 0.000 0.531 136 I N 0.078 120.620 120.570 -0.047 0.000 2.233 136 I HA -0.046 4.125 4.170 0.001 0.000 0.243 136 I C 2.762 178.840 176.117 -0.065 0.000 1.093 136 I CA 0.683 61.958 61.300 -0.042 0.000 1.380 136 I CB -1.068 36.919 38.000 -0.021 0.000 1.067 136 I HN 0.245 nan 8.210 nan 0.000 0.413 137 I N 2.317 122.843 120.570 -0.073 0.000 2.090 137 I HA -0.155 4.015 4.170 0.001 0.000 0.236 137 I C -0.256 175.774 176.117 -0.145 0.000 1.064 137 I CA 1.643 62.897 61.300 -0.077 0.000 1.324 137 I CB -3.055 34.920 38.000 -0.042 0.000 1.044 137 I HN 0.169 nan 8.210 nan 0.000 0.399 138 P HA -0.073 nan 4.420 nan 0.000 0.244 138 P C 0.200 177.287 177.300 -0.354 0.000 1.211 138 P CA 0.697 63.443 63.100 -0.589 0.000 0.760 138 P CB -0.105 30.774 31.700 -1.368 0.000 0.961 139 R N -0.108 120.277 120.500 -0.192 0.000 2.540 139 R HA 0.598 4.939 4.340 0.001 0.000 0.287 139 R C -0.219 176.048 176.300 -0.055 0.000 0.980 139 R CA -0.971 55.064 56.100 -0.108 0.000 0.966 139 R CB 1.177 31.429 30.300 -0.081 0.000 1.106 139 R HN -0.016 nan 8.270 nan 0.000 0.480 140 I N -0.140 120.414 120.570 -0.027 0.000 2.740 140 I HA 0.215 4.385 4.170 0.001 0.000 0.303 140 I C -0.314 175.801 176.117 -0.003 0.000 1.044 140 I CA -0.360 60.935 61.300 -0.007 0.000 1.064 140 I CB 2.339 40.345 38.000 0.009 0.000 1.249 140 I HN 0.516 nan 8.210 nan 0.000 0.433 141 S N 3.422 119.122 115.700 -0.000 0.000 2.558 141 S HA 0.173 4.644 4.470 0.001 0.000 0.291 141 S C -0.337 174.263 174.600 0.001 0.000 1.306 141 S CA -0.530 57.670 58.200 -0.000 0.000 1.056 141 S CB 0.195 63.396 63.200 0.001 0.000 0.836 141 S HN 0.408 nan 8.310 nan 0.000 0.504 142 V N 5.105 125.018 119.914 -0.002 0.000 2.479 142 V HA 0.205 4.326 4.120 0.001 0.000 0.281 142 V C 1.317 177.406 176.094 -0.009 0.000 1.031 142 V CA 0.368 62.665 62.300 -0.005 0.000 1.038 142 V CB 0.036 31.854 31.823 -0.009 0.000 0.981 142 V HN 1.018 nan 8.190 nan 0.000 0.478 143 R N 2.246 122.739 120.500 -0.013 0.000 2.688 143 R HA 0.282 4.622 4.340 0.001 0.000 0.236 143 R C 0.131 176.412 176.300 -0.032 0.000 0.981 143 R CA -0.545 55.545 56.100 -0.017 0.000 1.139 143 R CB 0.474 30.770 30.300 -0.008 0.000 1.677 143 R HN 0.571 nan 8.270 nan 0.000 0.554 144 E N 4.059 124.233 120.200 -0.044 0.000 2.373 144 E HA 0.214 4.564 4.350 0.001 0.000 0.267 144 E C -2.344 174.189 176.600 -0.111 0.000 1.032 144 E CA -2.034 54.315 56.400 -0.085 0.000 0.889 144 E CB 0.810 30.439 29.700 -0.119 0.000 0.984 144 E HN 0.059 nan 8.360 nan 0.000 0.425 145 P HA 0.105 nan 4.420 nan 0.000 0.279 145 P C -0.839 176.339 177.300 -0.203 0.000 1.239 145 P CA -0.266 62.754 63.100 -0.133 0.000 0.789 145 P CB 0.633 32.268 31.700 -0.108 0.000 0.933 146 M N 3.049 122.547 119.600 -0.170 0.000 2.043 146 M HA 0.194 4.675 4.480 0.001 0.000 0.322 146 M C -0.808 175.397 176.300 -0.159 0.000 0.962 146 M CA -0.456 54.724 55.300 -0.201 0.000 0.927 146 M CB 1.094 33.606 32.600 -0.146 0.000 1.466 146 M HN 0.319 nan 8.290 nan 0.000 0.412 147 Q N 2.803 122.479 119.800 -0.206 0.000 2.296 147 Q HA 0.281 4.622 4.340 0.001 0.000 0.257 147 Q C 1.090 177.068 176.000 -0.037 0.000 0.942 147 Q CA -0.006 55.745 55.803 -0.086 0.000 0.939 147 Q CB 1.094 29.832 28.738 0.001 0.000 1.198 147 Q HN 0.779 nan 8.270 nan 0.000 0.429 148 T N -1.918 112.628 114.554 -0.013 0.000 3.054 148 T HA 0.138 4.489 4.350 0.001 0.000 0.259 148 T C 1.254 175.967 174.700 0.022 0.000 1.092 148 T CA 0.507 62.606 62.100 -0.002 0.000 1.121 148 T CB 0.099 68.959 68.868 -0.013 0.000 0.912 148 T HN 0.844 nan 8.240 nan 0.000 0.489 149 G N 1.667 110.488 108.800 0.035 0.000 2.168 149 G HA2 -0.225 3.735 3.960 0.001 0.000 0.263 149 G HA3 -0.225 3.735 3.960 0.001 0.000 0.263 149 G C -0.009 174.895 174.900 0.006 0.000 0.977 149 G CA 0.275 45.394 45.100 0.032 0.000 0.659 149 G HN 0.685 nan 8.290 nan 0.000 0.533 150 I N 0.222 120.791 120.570 -0.001 0.000 2.328 150 I HA 0.339 4.510 4.170 0.001 0.000 0.287 150 I C 1.372 177.485 176.117 -0.007 0.000 1.012 150 I CA -0.940 60.352 61.300 -0.012 0.000 1.195 150 I CB 1.466 39.454 38.000 -0.020 0.000 1.350 150 I HN -0.059 nan 8.210 nan 0.000 0.464 151 K N 4.296 124.692 120.400 -0.006 0.000 2.001 151 K HA -0.237 4.084 4.320 0.001 0.000 0.214 151 K C 2.190 178.791 176.600 0.001 0.000 1.050 151 K CA 2.093 58.380 56.287 0.001 0.000 0.934 151 K CB -0.304 32.197 32.500 0.002 0.000 0.718 151 K HN 0.787 nan 8.250 nan 0.000 0.443 152 A N 0.831 123.649 122.820 -0.004 0.000 1.915 152 A HA -0.236 4.084 4.320 0.001 0.000 0.220 152 A C 2.429 180.014 177.584 0.002 0.000 1.198 152 A CA 2.265 54.301 52.037 -0.000 0.000 0.647 152 A CB -1.055 17.943 19.000 -0.003 0.000 0.825 152 A HN 0.116 nan 8.150 nan 0.000 0.456 153 V N 0.434 120.346 119.914 -0.003 0.000 2.229 153 V HA -0.213 3.908 4.120 0.001 0.000 0.243 153 V C 2.143 178.234 176.094 -0.005 0.000 1.042 153 V CA 2.218 64.514 62.300 -0.006 0.000 1.000 153 V CB -0.823 30.991 31.823 -0.014 0.000 0.637 153 V HN 0.545 nan 8.190 nan 0.000 0.446 154 D N 0.401 120.798 120.400 -0.004 0.000 2.265 154 D HA -0.114 4.527 4.640 0.001 0.000 0.208 154 D C 2.257 178.559 176.300 0.003 0.000 0.977 154 D CA 1.766 55.765 54.000 -0.003 0.000 0.871 154 D CB -0.027 40.774 40.800 0.002 0.000 0.925 154 D HN 0.632 nan 8.370 nan 0.000 0.485 155 S N -1.019 114.685 115.700 0.007 0.000 2.497 155 S HA 0.128 4.599 4.470 0.001 0.000 0.221 155 S C 1.908 176.515 174.600 0.012 0.000 1.037 155 S CA -0.136 58.071 58.200 0.012 0.000 0.920 155 S CB 0.165 63.374 63.200 0.015 0.000 0.800 155 S HN 0.155 nan 8.310 nan 0.000 0.505 156 L N 0.640 121.869 121.223 0.011 0.000 2.624 156 L HA 0.397 4.738 4.340 0.001 0.000 0.222 156 L C -0.137 176.744 176.870 0.017 0.000 1.046 156 L CA 0.119 54.969 54.840 0.017 0.000 0.872 156 L CB 0.823 42.895 42.059 0.023 0.000 1.190 156 L HN 0.141 nan 8.230 nan 0.000 0.487 157 V N 0.150 120.069 119.914 0.009 0.000 2.454 157 V HA 0.300 4.421 4.120 0.001 0.000 0.255 157 V C -2.549 173.539 176.094 -0.010 0.000 1.009 157 V CA -1.414 60.888 62.300 0.002 0.000 1.149 157 V CB -0.136 31.686 31.823 -0.002 0.000 1.418 157 V HN -0.007 nan 8.190 nan 0.000 0.567 158 P HA 0.326 nan 4.420 nan 0.000 0.271 158 P C -0.332 176.953 177.300 -0.025 0.000 1.216 158 P CA 0.335 63.425 63.100 -0.015 0.000 0.771 158 P CB 0.872 32.566 31.700 -0.011 0.000 0.864 159 I N 1.716 122.265 120.570 -0.035 0.000 2.441 159 I HA 0.637 4.808 4.170 0.001 0.000 0.295 159 I C 0.835 176.919 176.117 -0.055 0.000 0.994 159 I CA -0.500 60.774 61.300 -0.043 0.000 1.144 159 I CB 2.196 40.168 38.000 -0.047 0.000 1.314 159 I HN 0.341 nan 8.210 nan 0.000 0.445 160 G N 4.046 112.815 108.800 -0.052 0.000 2.569 160 G HA2 0.585 4.546 3.960 0.001 0.000 0.300 160 G HA3 0.585 4.546 3.960 0.001 0.000 0.300 160 G C -0.889 173.976 174.900 -0.058 0.000 1.269 160 G CA -0.928 44.135 45.100 -0.062 0.000 0.959 160 G HN 0.511 nan 8.290 nan 0.000 0.478 161 R N -0.143 120.314 120.500 -0.072 0.000 2.401 161 R HA 0.432 4.773 4.340 0.001 0.000 0.299 161 R C 1.162 177.466 176.300 0.006 0.000 1.064 161 R CA 1.099 57.172 56.100 -0.045 0.000 1.000 161 R CB 0.868 31.112 30.300 -0.093 0.000 0.973 161 R HN 1.180 nan 8.270 nan 0.000 0.438 162 G N 1.604 110.417 108.800 0.021 0.000 2.195 162 G HA2 -0.291 3.670 3.960 0.001 0.000 0.224 162 G HA3 -0.291 3.670 3.960 0.001 0.000 0.224 162 G C 0.176 175.079 174.900 0.006 0.000 0.990 162 G CA -0.088 45.026 45.100 0.022 0.000 0.639 162 G HN 0.580 nan 8.290 nan 0.000 0.514 163 Q N 0.062 119.858 119.800 -0.006 0.000 2.317 163 Q HA 0.684 5.024 4.340 0.001 0.000 0.229 163 Q C -0.173 175.819 176.000 -0.013 0.000 0.984 163 Q CA -0.549 55.246 55.803 -0.013 0.000 0.911 163 Q CB 0.466 29.190 28.738 -0.022 0.000 1.217 163 Q HN 0.320 nan 8.270 nan 0.000 0.501 164 R N 1.769 122.258 120.500 -0.019 0.000 2.439 164 R HA 0.359 4.700 4.340 0.001 0.000 0.310 164 R C -1.465 174.811 176.300 -0.040 0.000 0.955 164 R CA -0.553 55.533 56.100 -0.023 0.000 0.853 164 R CB 1.739 32.022 30.300 -0.028 0.000 1.171 164 R HN 0.461 nan 8.270 nan 0.000 0.449 165 E N 2.330 122.502 120.200 -0.046 0.000 2.256 165 E HA 0.366 4.717 4.350 0.001 0.000 0.268 165 E C -1.696 174.853 176.600 -0.086 0.000 0.877 165 E CA -0.923 55.436 56.400 -0.067 0.000 0.757 165 E CB 1.297 30.960 29.700 -0.061 0.000 1.183 165 E HN 0.355 nan 8.360 nan 0.000 0.418 166 L N 5.664 126.810 121.223 -0.128 0.000 2.264 166 L HA 0.460 4.801 4.340 0.001 0.000 0.289 166 L C -1.054 175.705 176.870 -0.185 0.000 1.044 166 L CA -0.422 54.326 54.840 -0.154 0.000 0.807 166 L CB 0.627 42.576 42.059 -0.184 0.000 1.192 166 L HN 0.540 nan 8.230 nan 0.000 0.425 167 I N 7.082 127.575 120.570 -0.127 0.000 2.396 167 I HA 0.275 4.446 4.170 0.001 0.000 0.289 167 I C -0.084 175.962 176.117 -0.118 0.000 1.056 167 I CA 0.050 61.283 61.300 -0.112 0.000 1.365 167 I CB 0.632 38.602 38.000 -0.050 0.000 1.407 167 I HN 0.656 nan 8.210 nan 0.000 0.509 168 I N 5.380 125.865 120.570 -0.142 0.000 2.563 168 I HA 0.685 4.856 4.170 0.001 0.000 0.285 168 I C -0.543 175.582 176.117 0.013 0.000 1.123 168 I CA 0.140 61.388 61.300 -0.086 0.000 1.059 168 I CB 1.614 39.530 38.000 -0.140 0.000 1.229 168 I HN 0.684 nan 8.210 nan 0.000 0.442 169 G N 4.655 113.480 108.800 0.042 0.000 2.600 169 G HA2 0.350 4.310 3.960 0.001 0.000 0.293 169 G HA3 0.350 4.310 3.960 0.001 0.000 0.293 169 G C -1.702 173.227 174.900 0.048 0.000 1.408 169 G CA -0.618 44.526 45.100 0.073 0.000 0.782 169 G HN 0.457 nan 8.290 nan 0.000 0.482 170 D N 0.021 120.447 120.400 0.043 0.000 2.372 170 D HA 0.317 4.958 4.640 0.001 0.000 0.243 170 D C 1.094 177.393 176.300 -0.001 0.000 1.297 170 D CA -0.040 53.974 54.000 0.025 0.000 0.958 170 D CB 0.384 41.198 40.800 0.024 0.000 1.114 170 D HN 0.611 nan 8.370 nan 0.000 0.496 171 R N -0.068 120.429 120.500 -0.004 0.000 2.640 171 R HA 0.074 4.415 4.340 0.001 0.000 0.270 171 R C -0.156 176.104 176.300 -0.067 0.000 1.024 171 R CA -0.158 55.931 56.100 -0.019 0.000 1.085 171 R CB -0.283 30.014 30.300 -0.005 0.000 0.963 171 R HN 0.231 nan 8.270 nan 0.000 0.426 172 Q N -0.544 119.208 119.800 -0.080 0.000 2.461 172 Q HA -0.209 4.132 4.340 0.001 0.000 0.273 172 Q C 0.345 176.122 176.000 -0.372 0.000 1.163 172 Q CA 1.655 57.360 55.803 -0.164 0.000 0.929 172 Q CB -1.985 26.665 28.738 -0.147 0.000 1.334 172 Q HN 0.985 nan 8.270 nan 0.000 0.499 173 T N -4.710 109.705 114.554 -0.232 0.000 3.107 173 T HA 0.409 4.760 4.350 0.001 0.000 0.249 173 T C 1.335 176.043 174.700 0.012 0.000 1.096 173 T CA 0.327 62.290 62.100 -0.228 0.000 1.012 173 T CB 0.744 69.587 68.868 -0.042 0.000 0.977 173 T HN 1.074 nan 8.240 nan 0.000 0.527 174 G N 1.539 110.356 108.800 0.029 0.000 2.145 174 G HA2 -0.206 3.755 3.960 0.001 0.000 0.176 174 G HA3 -0.206 3.755 3.960 0.001 0.000 0.176 174 G C 0.695 175.629 174.900 0.057 0.000 1.013 174 G CA 0.140 45.314 45.100 0.122 0.000 0.689 174 G HN 0.461 nan 8.290 nan 0.000 0.506 175 K N -0.441 119.979 120.400 0.033 0.000 2.025 175 K HA -0.041 4.279 4.320 0.001 0.000 0.207 175 K C 2.524 179.144 176.600 0.033 0.000 1.049 175 K CA 1.778 58.080 56.287 0.025 0.000 0.933 175 K CB -0.249 32.263 32.500 0.019 0.000 0.714 175 K HN 0.323 nan 8.250 nan 0.000 0.438 176 T N 1.066 115.648 114.554 0.046 0.000 2.821 176 T HA -0.077 4.273 4.350 0.001 0.000 0.267 176 T C 2.075 176.788 174.700 0.021 0.000 1.046 176 T CA 1.270 63.407 62.100 0.062 0.000 1.139 176 T CB -0.125 68.791 68.868 0.081 0.000 0.871 176 T HN 0.130 nan 8.240 nan 0.000 0.454 177 S N 1.282 116.985 115.700 0.005 0.000 2.383 177 S HA -0.063 4.408 4.470 0.001 0.000 0.229 177 S C 2.016 176.587 174.600 -0.048 0.000 1.030 177 S CA 0.754 58.928 58.200 -0.042 0.000 1.002 177 S CB -0.362 62.795 63.200 -0.072 0.000 0.829 177 S HN 0.356 nan 8.310 nan 0.000 0.467 178 I N 1.865 122.421 120.570 -0.023 0.000 2.179 178 I HA -0.185 3.985 4.170 0.001 0.000 0.242 178 I C 2.755 178.863 176.117 -0.014 0.000 1.088 178 I CA 1.442 62.729 61.300 -0.022 0.000 1.357 178 I CB -1.716 36.276 38.000 -0.013 0.000 1.051 178 I HN 0.257 nan 8.210 nan 0.000 0.409 179 A N 1.267 124.088 122.820 0.002 0.000 1.877 179 A HA -0.169 4.151 4.320 0.001 0.000 0.216 179 A C 2.274 179.846 177.584 -0.021 0.000 1.186 179 A CA 1.236 53.281 52.037 0.013 0.000 0.620 179 A CB -0.629 18.417 19.000 0.077 0.000 0.822 179 A HN 0.257 nan 8.150 nan 0.000 0.443 180 I N 0.567 121.108 120.570 -0.048 0.000 2.118 180 I HA -0.245 3.926 4.170 0.001 0.000 0.241 180 I C 1.860 177.976 176.117 -0.002 0.000 1.070 180 I CA 2.028 63.295 61.300 -0.055 0.000 1.327 180 I CB -1.533 36.458 38.000 -0.015 0.000 1.034 180 I HN 0.293 nan 8.210 nan 0.000 0.405 181 D N 0.088 120.484 120.400 -0.007 0.000 2.219 181 D HA -0.116 4.524 4.640 0.001 0.000 0.205 181 D C 2.141 178.456 176.300 0.026 0.000 0.970 181 D CA 1.171 55.175 54.000 0.007 0.000 0.851 181 D CB 0.004 40.782 40.800 -0.038 0.000 0.943 181 D HN 0.291 nan 8.370 nan 0.000 0.488 182 T N 0.762 115.326 114.554 0.016 0.000 2.737 182 T HA -0.085 4.266 4.350 0.001 0.000 0.265 182 T C 1.937 176.673 174.700 0.059 0.000 1.038 182 T CA 0.478 62.593 62.100 0.027 0.000 1.144 182 T CB 0.003 68.874 68.868 0.005 0.000 0.866 182 T HN 0.098 nan 8.240 nan 0.000 0.434 183 I N 1.482 122.084 120.570 0.054 0.000 2.163 183 I HA -0.129 4.042 4.170 0.001 0.000 0.243 183 I C 2.388 178.614 176.117 0.181 0.000 1.085 183 I CA 1.469 62.830 61.300 0.101 0.000 1.347 183 I CB -1.333 36.667 38.000 -0.001 0.000 1.044 183 I HN 0.285 nan 8.210 nan 0.000 0.408 184 I N 0.918 121.556 120.570 0.113 0.000 2.361 184 I HA -0.284 3.887 4.170 0.001 0.000 0.251 184 I C 2.292 178.499 176.117 0.150 0.000 1.133 184 I CA 1.278 62.656 61.300 0.130 0.000 1.413 184 I CB -0.609 37.446 38.000 0.091 0.000 1.073 184 I HN 0.270 nan 8.210 nan 0.000 0.424 185 N N 0.707 119.484 118.700 0.129 0.000 2.223 185 N HA -0.202 4.539 4.740 0.001 0.000 0.185 185 N C 1.848 177.482 175.510 0.207 0.000 1.016 185 N CA 1.216 54.348 53.050 0.137 0.000 0.863 185 N CB 0.031 38.601 38.487 0.139 0.000 0.983 185 N HN 0.229 nan 8.380 nan 0.000 0.429 186 Q N 0.510 120.430 119.800 0.200 0.000 2.291 186 Q HA -0.086 4.255 4.340 0.001 0.000 0.205 186 Q C 1.722 177.671 176.000 -0.084 0.000 0.970 186 Q CA 0.640 56.518 55.803 0.126 0.000 0.876 186 Q CB -0.307 28.369 28.738 -0.104 0.000 0.935 186 Q HN 0.489 nan 8.270 nan 0.000 0.455 187 K N 1.123 121.516 120.400 -0.012 0.000 2.089 187 K HA -0.220 4.101 4.320 0.001 0.000 0.210 187 K C 2.060 178.586 176.600 -0.124 0.000 1.048 187 K CA 1.331 57.599 56.287 -0.032 0.000 0.926 187 K CB -0.013 32.569 32.500 0.135 0.000 0.714 187 K HN 0.070 nan 8.250 nan 0.000 0.448 188 R N -0.502 119.889 120.500 -0.183 0.000 2.080 188 R HA -0.162 4.179 4.340 0.001 0.000 0.236 188 R C 2.262 178.312 176.300 -0.418 0.000 1.137 188 R CA 2.248 58.122 56.100 -0.378 0.000 0.943 188 R CB -0.295 29.618 30.300 -0.647 0.000 0.846 188 R HN 0.190 nan 8.270 nan 0.000 0.431 189 F N 0.110 119.955 119.950 -0.174 0.000 2.293 189 F HA 0.009 4.536 4.527 0.001 0.000 0.297 189 F C 1.807 177.469 175.800 -0.230 0.000 1.089 189 F CA 0.468 58.356 58.000 -0.187 0.000 1.377 189 F CB -0.228 38.651 39.000 -0.202 0.000 1.051 189 F HN 0.034 nan 8.300 nan 0.000 0.511 190 N N -0.221 118.390 118.700 -0.147 0.000 2.467 190 N HA -0.058 4.683 4.740 0.001 0.000 0.184 190 N C 0.537 175.952 175.510 -0.158 0.000 1.106 190 N CA 0.713 53.593 53.050 -0.283 0.000 0.892 190 N CB -0.254 37.836 38.487 -0.663 0.000 0.969 190 N HN 0.223 nan 8.380 nan 0.000 0.454 191 D N -1.170 119.163 120.400 -0.112 0.000 2.417 191 D HA 0.152 4.792 4.640 0.001 0.000 0.207 191 D C 1.220 177.487 176.300 -0.054 0.000 1.075 191 D CA 0.154 54.117 54.000 -0.060 0.000 0.851 191 D CB 0.190 40.961 40.800 -0.048 0.000 0.976 191 D HN 0.118 nan 8.370 nan 0.000 0.505 192 G N -0.018 108.741 108.800 -0.068 0.000 2.508 192 G HA2 0.278 4.239 3.960 0.001 0.000 0.278 192 G HA3 0.278 4.239 3.960 0.001 0.000 0.278 192 G C 1.177 176.060 174.900 -0.028 0.000 1.389 192 G CA 0.488 45.555 45.100 -0.055 0.000 1.050 192 G HN 0.150 nan 8.290 nan 0.000 0.522 193 T N -2.788 111.754 114.554 -0.020 0.000 3.031 193 T HA 0.036 4.387 4.350 0.001 0.000 0.254 193 T C 0.849 175.552 174.700 0.005 0.000 1.060 193 T CA 0.611 62.707 62.100 -0.005 0.000 1.135 193 T CB -0.056 68.808 68.868 -0.007 0.000 0.896 193 T HN 0.290 nan 8.240 nan 0.000 0.472 194 D N 2.429 122.833 120.400 0.006 0.000 2.359 194 D HA 0.058 4.698 4.640 0.001 0.000 0.273 194 D C 1.160 177.474 176.300 0.024 0.000 1.362 194 D CA 0.053 54.064 54.000 0.019 0.000 1.010 194 D CB 0.393 41.210 40.800 0.029 0.000 1.090 194 D HN 0.226 nan 8.370 nan 0.000 0.521 195 E N 2.846 123.064 120.200 0.029 0.000 2.158 195 E HA -0.125 4.226 4.350 0.001 0.000 0.191 195 E C 1.550 178.186 176.600 0.060 0.000 0.982 195 E CA 0.724 57.148 56.400 0.040 0.000 0.823 195 E CB 0.128 29.860 29.700 0.053 0.000 0.766 195 E HN 0.574 nan 8.360 nan 0.000 0.468 196 K N 0.935 121.372 120.400 0.062 0.000 2.057 196 K HA -0.078 4.243 4.320 0.001 0.000 0.207 196 K C 1.972 178.593 176.600 0.035 0.000 1.049 196 K CA 0.987 57.332 56.287 0.097 0.000 0.931 196 K CB -0.068 32.473 32.500 0.069 0.000 0.714 196 K HN -0.083 nan 8.250 nan 0.000 0.440 197 K N 1.269 121.649 120.400 -0.033 0.000 2.525 197 K HA 0.039 4.360 4.320 0.001 0.000 0.192 197 K C -0.028 176.457 176.600 -0.192 0.000 1.029 197 K CA 0.243 56.448 56.287 -0.138 0.000 1.029 197 K CB 0.173 32.659 32.500 -0.023 0.000 0.814 197 K HN 0.140 nan 8.250 nan 0.000 0.503 198 K N 1.207 121.538 120.400 -0.115 0.000 2.355 198 K HA 0.106 4.427 4.320 0.001 0.000 0.270 198 K C -0.534 175.885 176.600 -0.302 0.000 1.003 198 K CA -0.095 56.059 56.287 -0.221 0.000 0.957 198 K CB 0.641 32.995 32.500 -0.243 0.000 0.939 198 K HN -0.111 nan 8.250 nan 0.000 0.482 199 L N 3.305 124.262 121.223 -0.444 0.000 2.439 199 L HA 0.310 4.651 4.340 0.001 0.000 0.270 199 L C -1.633 174.968 176.870 -0.448 0.000 0.972 199 L CA -0.494 54.131 54.840 -0.358 0.000 0.836 199 L CB 1.060 42.940 42.059 -0.299 0.000 1.255 199 L HN 0.421 nan 8.230 nan 0.000 0.404 200 Y N 3.111 123.290 120.300 -0.202 0.000 2.323 200 Y HA 0.499 5.050 4.550 0.000 0.000 0.331 200 Y C 0.208 176.009 175.900 -0.165 0.000 1.092 200 Y CA -0.203 57.748 58.100 -0.249 0.000 1.150 200 Y CB 1.380 39.393 38.460 -0.745 0.000 1.200 200 Y HN 0.500 nan 8.280 nan 0.000 0.472 201 C N 4.762 124.153 119.300 0.151 0.000 2.355 201 C HA 0.687 5.148 4.460 0.001 0.000 0.332 201 C C -0.049 174.975 174.990 0.057 0.000 1.255 201 C CA -1.057 58.017 59.018 0.093 0.000 1.792 201 C CB -0.327 27.496 27.740 0.138 0.000 2.300 201 C HN 0.637 nan 8.230 nan 0.000 0.515 202 I N 2.893 123.482 120.570 0.032 0.000 2.497 202 I HA 0.239 4.409 4.170 0.001 0.000 0.284 202 I C -1.158 174.976 176.117 0.028 0.000 1.060 202 I CA -0.363 60.954 61.300 0.029 0.000 1.071 202 I CB 1.011 39.013 38.000 0.004 0.000 1.216 202 I HN 0.602 nan 8.210 nan 0.000 0.442 203 Y N 7.271 127.527 120.300 -0.072 0.000 2.334 203 Y HA 0.601 5.151 4.550 0.001 0.000 0.336 203 Y C -0.785 175.077 175.900 -0.064 0.000 0.960 203 Y CA -0.807 57.245 58.100 -0.080 0.000 1.164 203 Y CB 1.299 39.728 38.460 -0.052 0.000 1.155 203 Y HN 0.229 nan 8.280 nan 0.000 0.478 204 V N 6.424 126.016 119.914 -0.536 0.000 2.311 204 V HA 0.581 4.701 4.120 0.001 0.000 0.275 204 V C 0.123 175.913 176.094 -0.508 0.000 1.022 204 V CA -0.822 61.251 62.300 -0.378 0.000 0.830 204 V CB 0.649 32.352 31.823 -0.201 0.000 1.012 204 V HN 0.942 nan 8.190 nan 0.000 0.452 205 A N 6.961 129.576 122.820 -0.341 0.000 2.350 205 A HA 0.748 5.069 4.320 0.001 0.000 0.293 205 A C -0.299 177.233 177.584 -0.087 0.000 1.231 205 A CA -0.143 51.771 52.037 -0.205 0.000 0.883 205 A CB -0.241 18.740 19.000 -0.033 0.000 1.133 205 A HN 0.814 nan 8.150 nan 0.000 0.533 206 I N 2.511 123.040 120.570 -0.068 0.000 2.390 206 I HA 0.497 4.667 4.170 0.001 0.000 0.283 206 I C 1.168 177.293 176.117 0.014 0.000 1.016 206 I CA 0.170 61.464 61.300 -0.011 0.000 1.151 206 I CB 1.475 39.475 38.000 -0.001 0.000 1.293 206 I HN 0.927 nan 8.210 nan 0.000 0.458 207 G N 3.711 112.526 108.800 0.026 0.000 2.148 207 G HA2 -0.231 3.729 3.960 0.001 0.000 0.254 207 G HA3 -0.231 3.729 3.960 0.001 0.000 0.254 207 G C 0.287 175.206 174.900 0.032 0.000 0.981 207 G CA -0.184 44.937 45.100 0.034 0.000 0.670 207 G HN 0.591 nan 8.290 nan 0.000 0.528 208 Q N -0.072 119.747 119.800 0.031 0.000 2.407 208 Q HA 0.439 4.779 4.340 0.001 0.000 0.214 208 Q C 0.759 176.782 176.000 0.038 0.000 1.043 208 Q CA 0.094 55.921 55.803 0.039 0.000 0.983 208 Q CB 0.541 29.310 28.738 0.052 0.000 1.211 208 Q HN 0.640 nan 8.270 nan 0.000 0.564 209 K N -0.242 120.182 120.400 0.040 0.000 2.143 209 K HA 0.282 4.603 4.320 0.001 0.000 0.272 209 K C 0.453 177.076 176.600 0.038 0.000 1.001 209 K CA -0.525 55.783 56.287 0.035 0.000 0.915 209 K CB 1.305 33.823 32.500 0.031 0.000 1.047 209 K HN 0.384 nan 8.250 nan 0.000 0.458 210 R N 0.761 121.281 120.500 0.033 0.000 2.117 210 R HA -0.179 4.161 4.340 0.001 0.000 0.243 210 R C 2.132 178.452 176.300 0.033 0.000 1.143 210 R CA 2.351 58.471 56.100 0.034 0.000 0.968 210 R CB -0.351 29.966 30.300 0.028 0.000 0.863 210 R HN 0.946 nan 8.270 nan 0.000 0.444 211 S N -0.599 115.119 115.700 0.029 0.000 2.382 211 S HA -0.119 4.352 4.470 0.001 0.000 0.228 211 S C 1.898 176.515 174.600 0.030 0.000 1.027 211 S CA 1.674 59.890 58.200 0.025 0.000 0.991 211 S CB -0.408 62.805 63.200 0.022 0.000 0.823 211 S HN 0.223 nan 8.310 nan 0.000 0.469 212 T N 2.228 116.805 114.554 0.038 0.000 2.857 212 T HA 0.051 4.402 4.350 0.001 0.000 0.266 212 T C 1.864 176.599 174.700 0.057 0.000 1.048 212 T CA 1.194 63.323 62.100 0.047 0.000 1.139 212 T CB -0.440 68.462 68.868 0.056 0.000 0.874 212 T HN 0.297 nan 8.240 nan 0.000 0.455 213 V N 1.556 121.509 119.914 0.066 0.000 2.626 213 V HA -0.061 4.060 4.120 0.001 0.000 0.252 213 V C 2.746 178.871 176.094 0.051 0.000 1.067 213 V CA 1.395 63.744 62.300 0.083 0.000 1.081 213 V CB -1.051 30.823 31.823 0.084 0.000 0.686 213 V HN 0.502 nan 8.190 nan 0.000 0.468 214 A N -1.011 121.829 122.820 0.033 0.000 1.898 214 A HA -0.127 4.194 4.320 0.001 0.000 0.214 214 A C 2.181 179.767 177.584 0.002 0.000 1.183 214 A CA 0.841 52.888 52.037 0.016 0.000 0.622 214 A CB -0.336 18.672 19.000 0.014 0.000 0.824 214 A HN 0.445 nan 8.150 nan 0.000 0.444 215 Q N -0.515 119.288 119.800 0.005 0.000 2.226 215 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 215 Q C 1.975 177.961 176.000 -0.024 0.000 0.975 215 Q CA 0.717 56.515 55.803 -0.007 0.000 0.866 215 Q CB -0.343 28.399 28.738 0.007 0.000 0.915 215 Q HN 0.559 nan 8.270 nan 0.000 0.440 216 L N 0.496 121.708 121.223 -0.018 0.000 1.993 216 L HA -0.120 4.221 4.340 0.001 0.000 0.206 216 L C 2.488 179.309 176.870 -0.081 0.000 1.074 216 L CA 1.688 56.492 54.840 -0.060 0.000 0.746 216 L CB -1.144 40.887 42.059 -0.046 0.000 0.896 216 L HN 0.168 nan 8.230 nan 0.000 0.435 217 V N -1.555 118.329 119.914 -0.049 0.000 2.490 217 V HA -0.236 3.884 4.120 0.001 0.000 0.250 217 V C 2.584 178.639 176.094 -0.065 0.000 1.061 217 V CA 1.938 64.205 62.300 -0.055 0.000 1.064 217 V CB -0.930 30.880 31.823 -0.022 0.000 0.670 217 V HN 0.353 nan 8.190 nan 0.000 0.461 218 K N 1.294 121.659 120.400 -0.058 0.000 2.026 218 K HA -0.145 4.175 4.320 0.001 0.000 0.208 218 K C 2.320 178.863 176.600 -0.095 0.000 1.048 218 K CA 1.861 58.108 56.287 -0.066 0.000 0.929 218 K CB -0.518 31.949 32.500 -0.055 0.000 0.713 218 K HN 0.385 nan 8.250 nan 0.000 0.439 219 R N 0.092 120.526 120.500 -0.111 0.000 2.189 219 R HA 0.094 4.434 4.340 0.001 0.000 0.223 219 R C 1.771 177.990 176.300 -0.135 0.000 1.092 219 R CA 1.146 57.154 56.100 -0.154 0.000 0.989 219 R CB -0.204 30.006 30.300 -0.150 0.000 0.876 219 R HN 0.311 nan 8.270 nan 0.000 0.457 220 L N -1.529 119.620 121.223 -0.123 0.000 2.307 220 L HA 0.034 4.375 4.340 0.001 0.000 0.211 220 L C 1.764 178.558 176.870 -0.127 0.000 1.099 220 L CA 0.958 55.717 54.840 -0.135 0.000 0.816 220 L CB -0.270 41.692 42.059 -0.162 0.000 0.952 220 L HN 0.155 nan 8.230 nan 0.000 0.455 221 T N -0.723 113.769 114.554 -0.102 0.000 2.737 221 T HA -0.149 4.201 4.350 0.001 0.000 0.265 221 T C 1.301 175.957 174.700 -0.073 0.000 1.038 221 T CA 1.427 63.479 62.100 -0.081 0.000 1.144 221 T CB -0.202 68.629 68.868 -0.062 0.000 0.866 221 T HN 0.250 nan 8.240 nan 0.000 0.434 222 D N 1.445 121.795 120.400 -0.083 0.000 2.264 222 D HA 0.059 4.700 4.640 0.001 0.000 0.208 222 D C 1.935 178.193 176.300 -0.070 0.000 0.966 222 D CA 0.704 54.656 54.000 -0.080 0.000 0.864 222 D CB -0.264 40.471 40.800 -0.109 0.000 0.933 222 D HN 0.443 nan 8.370 nan 0.000 0.499 223 A N 0.213 122.991 122.820 -0.070 0.000 2.238 223 A HA 0.023 4.344 4.320 0.001 0.000 0.210 223 A C 0.679 178.253 177.584 -0.016 0.000 1.179 223 A CA 0.487 52.501 52.037 -0.038 0.000 0.827 223 A CB 0.126 19.108 19.000 -0.030 0.000 0.856 223 A HN 0.033 nan 8.150 nan 0.000 0.488 224 D N -2.581 117.799 120.400 -0.034 0.000 2.772 224 D HA -0.206 4.435 4.640 0.001 0.000 0.233 224 D C 0.756 177.040 176.300 -0.027 0.000 1.143 224 D CA 1.047 55.037 54.000 -0.016 0.000 0.700 224 D CB -1.309 39.504 40.800 0.021 0.000 1.076 224 D HN 0.514 nan 8.370 nan 0.000 0.430 225 A N -0.684 122.041 122.820 -0.159 0.000 2.115 225 A HA 0.118 4.438 4.320 0.001 0.000 0.211 225 A C 2.140 179.251 177.584 -0.789 0.000 1.169 225 A CA 0.654 52.391 52.037 -0.501 0.000 0.787 225 A CB -0.067 18.752 19.000 -0.302 0.000 0.858 225 A HN 0.291 nan 8.150 nan 0.000 0.474 226 M N 1.384 120.763 119.600 -0.368 0.000 2.106 226 M HA -0.209 4.272 4.480 0.001 0.000 0.259 226 M C 2.119 178.294 176.300 -0.209 0.000 1.068 226 M CA 2.156 57.301 55.300 -0.258 0.000 1.100 226 M CB -0.958 31.563 32.600 -0.132 0.000 1.351 226 M HN 0.699 nan 8.290 nan 0.000 0.404 227 K N 0.302 120.620 120.400 -0.137 0.000 2.228 227 K HA -0.209 4.111 4.320 0.001 0.000 0.205 227 K C 0.882 177.553 176.600 0.119 0.000 1.045 227 K CA 1.989 58.287 56.287 0.018 0.000 0.931 227 K CB -0.915 31.642 32.500 0.094 0.000 0.727 227 K HN 0.564 nan 8.250 nan 0.000 0.458 228 Y N -0.034 120.319 120.300 0.089 0.000 2.734 228 Y HA 0.470 5.021 4.550 0.002 0.000 0.278 228 Y C -0.858 175.111 175.900 0.116 0.000 1.108 228 Y CA -1.075 57.114 58.100 0.148 0.000 1.211 228 Y CB 0.134 38.653 38.460 0.099 0.000 1.182 228 Y HN -0.188 nan 8.280 nan 0.000 0.547 229 T N 2.460 116.995 114.554 -0.033 0.000 2.881 229 T HA 0.512 4.863 4.350 0.001 0.000 0.291 229 T C -0.521 174.197 174.700 0.030 0.000 0.990 229 T CA -0.394 61.691 62.100 -0.026 0.000 0.976 229 T CB 1.637 70.414 68.868 -0.152 0.000 0.970 229 T HN 0.217 nan 8.240 nan 0.000 0.438 230 I N 2.971 123.582 120.570 0.069 0.000 2.304 230 I HA 0.321 4.492 4.170 0.001 0.000 0.291 230 I C -0.249 175.910 176.117 0.071 0.000 1.018 230 I CA -0.835 60.509 61.300 0.073 0.000 1.260 230 I CB 1.215 39.276 38.000 0.101 0.000 1.390 230 I HN 0.301 nan 8.210 nan 0.000 0.475 231 V N 7.907 127.861 119.914 0.067 0.000 2.304 231 V HA 0.191 4.312 4.120 0.001 0.000 0.269 231 V C 0.182 176.313 176.094 0.061 0.000 1.036 231 V CA -0.621 61.734 62.300 0.092 0.000 0.840 231 V CB 1.169 33.053 31.823 0.103 0.000 1.036 231 V HN 0.390 nan 8.190 nan 0.000 0.466 232 V N 4.142 124.079 119.914 0.037 0.000 2.432 232 V HA 0.413 4.533 4.120 0.001 0.000 0.271 232 V C 0.466 176.564 176.094 0.007 0.000 1.046 232 V CA 0.135 62.447 62.300 0.021 0.000 0.945 232 V CB 1.374 33.202 31.823 0.009 0.000 0.992 232 V HN 0.794 nan 8.190 nan 0.000 0.471 233 S N 3.891 119.607 115.700 0.026 0.000 2.605 233 S HA 0.788 5.259 4.470 0.001 0.000 0.308 233 S C -0.316 174.303 174.600 0.032 0.000 1.113 233 S CA -0.240 57.975 58.200 0.025 0.000 1.049 233 S CB 1.218 64.444 63.200 0.042 0.000 1.001 233 S HN 1.071 nan 8.310 nan 0.000 0.480 234 A N 3.957 126.792 122.820 0.025 0.000 2.409 234 A HA 0.643 4.964 4.320 0.001 0.000 0.300 234 A C 0.319 177.920 177.584 0.029 0.000 1.273 234 A CA -0.640 51.417 52.037 0.035 0.000 0.774 234 A CB 0.404 19.429 19.000 0.042 0.000 1.144 234 A HN 0.847 nan 8.150 nan 0.000 0.472 235 T N -0.829 113.744 114.554 0.031 0.000 2.824 235 T HA 0.550 4.900 4.350 0.001 0.000 0.277 235 T C 1.461 176.178 174.700 0.027 0.000 0.975 235 T CA 0.101 62.219 62.100 0.030 0.000 0.966 235 T CB 1.254 70.141 68.868 0.032 0.000 1.054 235 T HN 1.208 nan 8.240 nan 0.000 0.533 236 A N 0.932 123.768 122.820 0.027 0.000 2.024 236 A HA -0.063 4.257 4.320 0.001 0.000 0.220 236 A C 2.566 180.161 177.584 0.017 0.000 1.164 236 A CA 2.139 54.190 52.037 0.023 0.000 0.643 236 A CB -1.483 17.532 19.000 0.024 0.000 0.806 236 A HN 1.137 nan 8.150 nan 0.000 0.451 237 S N -0.223 115.488 115.700 0.017 0.000 2.406 237 S HA -0.045 4.426 4.470 0.001 0.000 0.228 237 S C 0.370 174.977 174.600 0.011 0.000 1.020 237 S CA 0.300 58.507 58.200 0.013 0.000 0.965 237 S CB -0.427 62.782 63.200 0.015 0.000 0.798 237 S HN 0.458 nan 8.310 nan 0.000 0.488 238 D N 2.874 123.284 120.400 0.016 0.000 2.443 238 D HA 0.512 5.152 4.640 0.001 0.000 0.239 238 D C 0.511 176.808 176.300 -0.005 0.000 1.136 238 D CA 0.503 54.512 54.000 0.014 0.000 0.879 238 D CB 0.937 41.753 40.800 0.026 0.000 1.195 238 D HN 0.486 nan 8.370 nan 0.000 0.443 239 A N 1.864 124.668 122.820 -0.027 0.000 2.409 239 A HA 0.388 4.708 4.320 0.001 0.000 0.246 239 A C 1.507 179.042 177.584 -0.081 0.000 1.099 239 A CA 0.417 52.417 52.037 -0.062 0.000 0.789 239 A CB 0.074 19.021 19.000 -0.089 0.000 1.053 239 A HN 0.606 nan 8.150 nan 0.000 0.503 240 A N 0.551 123.319 122.820 -0.087 0.000 1.892 240 A HA -0.088 4.233 4.320 0.001 0.000 0.218 240 A C -0.191 177.350 177.584 -0.073 0.000 1.188 240 A CA 2.286 54.282 52.037 -0.068 0.000 0.631 240 A CB -1.870 17.078 19.000 -0.087 0.000 0.822 240 A HN 0.632 nan 8.150 nan 0.000 0.447 241 P HA -0.052 nan 4.420 nan 0.000 0.219 241 P C 1.434 178.628 177.300 -0.176 0.000 1.150 241 P CA 0.659 63.604 63.100 -0.258 0.000 0.814 241 P CB -0.153 31.072 31.700 -0.792 0.000 0.787 242 L N -0.747 120.298 121.223 -0.298 0.000 2.079 242 L HA -0.208 4.133 4.340 0.001 0.000 0.210 242 L C 2.527 179.427 176.870 0.051 0.000 1.081 242 L CA 1.638 56.434 54.840 -0.073 0.000 0.752 242 L CB -0.895 41.143 42.059 -0.035 0.000 0.896 242 L HN 0.011 nan 8.230 nan 0.000 0.433 243 Q N -1.571 118.265 119.800 0.059 0.000 2.311 243 Q HA -0.190 4.150 4.340 0.001 0.000 0.203 243 Q C 1.937 178.039 176.000 0.169 0.000 0.954 243 Q CA 1.088 56.948 55.803 0.096 0.000 0.885 243 Q CB -0.004 28.783 28.738 0.081 0.000 0.963 243 Q HN 0.586 nan 8.270 nan 0.000 0.471 244 Y N -0.041 120.312 120.300 0.087 0.000 2.286 244 Y HA -0.040 4.511 4.550 0.002 0.000 0.293 244 Y C 1.499 177.562 175.900 0.272 0.000 1.124 244 Y CA 0.946 59.156 58.100 0.183 0.000 1.178 244 Y CB 0.021 38.603 38.460 0.203 0.000 1.010 244 Y HN -0.037 nan 8.280 nan 0.000 0.536 245 L N 0.128 121.327 121.223 -0.041 0.000 2.270 245 L HA 0.045 4.385 4.340 0.001 0.000 0.210 245 L C 2.773 179.711 176.870 0.114 0.000 1.104 245 L CA 0.700 55.512 54.840 -0.047 0.000 0.804 245 L CB -0.709 41.412 42.059 0.105 0.000 0.937 245 L HN 0.376 nan 8.230 nan 0.000 0.450 246 A N 1.036 123.910 122.820 0.090 0.000 1.948 246 A HA -0.156 4.165 4.320 0.001 0.000 0.220 246 A C -0.217 177.400 177.584 0.054 0.000 1.177 246 A CA 1.736 53.817 52.037 0.073 0.000 0.636 246 A CB -1.643 17.390 19.000 0.055 0.000 0.815 246 A HN 0.275 nan 8.150 nan 0.000 0.449 247 P HA -0.129 nan 4.420 nan 0.000 0.215 247 P C 0.893 178.175 177.300 -0.029 0.000 1.157 247 P CA 1.189 64.274 63.100 -0.025 0.000 0.863 247 P CB -0.230 31.222 31.700 -0.413 0.000 0.787 248 Y N -0.367 119.923 120.300 -0.016 0.000 2.242 248 Y HA -0.102 4.448 4.550 0.001 0.000 0.291 248 Y C 2.574 178.487 175.900 0.022 0.000 1.137 248 Y CA 1.237 59.323 58.100 -0.023 0.000 1.181 248 Y CB -1.382 37.003 38.460 -0.124 0.000 0.989 248 Y HN -0.089 nan 8.280 nan 0.000 0.527 249 S N -0.136 115.667 115.700 0.172 0.000 2.382 249 S HA -0.161 4.310 4.470 0.001 0.000 0.228 249 S C 2.367 177.025 174.600 0.095 0.000 1.027 249 S CA 1.198 59.468 58.200 0.116 0.000 0.991 249 S CB -0.871 62.389 63.200 0.099 0.000 0.823 249 S HN 0.671 nan 8.310 nan 0.000 0.469 250 G N -0.088 108.766 108.800 0.089 0.000 2.403 250 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 250 G HA3 -0.201 3.760 3.960 0.001 0.000 0.216 250 G C 1.658 176.608 174.900 0.082 0.000 1.154 250 G CA 0.839 45.974 45.100 0.058 0.000 0.784 250 G HN 0.573 nan 8.290 nan 0.000 0.538 251 C N 0.796 120.176 119.300 0.133 0.000 2.432 251 C HA -0.039 4.422 4.460 0.001 0.000 0.277 251 C C 3.293 178.365 174.990 0.135 0.000 1.249 251 C CA 1.757 60.867 59.018 0.153 0.000 1.725 251 C CB -0.916 26.936 27.740 0.187 0.000 2.028 251 C HN 0.374 nan 8.230 nan 0.000 0.477 252 S N 0.525 116.300 115.700 0.126 0.000 2.383 252 S HA -0.201 4.270 4.470 0.001 0.000 0.229 252 S C 1.700 176.369 174.600 0.116 0.000 1.030 252 S CA 2.068 60.333 58.200 0.108 0.000 1.002 252 S CB -0.400 62.851 63.200 0.085 0.000 0.829 252 S HN 0.658 nan 8.310 nan 0.000 0.467 253 M N 0.860 120.530 119.600 0.116 0.000 2.229 253 M HA -0.031 4.450 4.480 0.001 0.000 0.264 253 M C 2.386 178.861 176.300 0.293 0.000 1.063 253 M CA 1.382 56.765 55.300 0.138 0.000 1.114 253 M CB -0.600 32.071 32.600 0.118 0.000 1.387 253 M HN 0.449 nan 8.290 nan 0.000 0.420 254 G N -0.314 108.649 108.800 0.270 0.000 2.430 254 G HA2 -0.116 3.845 3.960 0.001 0.000 0.216 254 G HA3 -0.116 3.845 3.960 0.001 0.000 0.216 254 G C 1.339 176.443 174.900 0.340 0.000 1.146 254 G CA 0.259 45.566 45.100 0.345 0.000 0.793 254 G HN 0.450 nan 8.290 nan 0.000 0.537 255 E N -0.486 119.845 120.200 0.218 0.000 2.150 255 E HA -0.137 4.213 4.350 0.001 0.000 0.193 255 E C 1.888 178.562 176.600 0.123 0.000 0.985 255 E CA 0.626 57.116 56.400 0.151 0.000 0.814 255 E CB -0.231 29.535 29.700 0.111 0.000 0.752 255 E HN 0.582 nan 8.360 nan 0.000 0.466 256 Y N 1.017 121.305 120.300 -0.019 0.000 2.040 256 Y HA -0.348 4.204 4.550 0.003 0.000 0.275 256 Y C 1.808 177.595 175.900 -0.190 0.000 1.171 256 Y CA 1.959 59.950 58.100 -0.182 0.000 1.123 256 Y CB -0.634 37.590 38.460 -0.393 0.000 0.963 256 Y HN -0.058 nan 8.280 nan 0.000 0.493 257 F N 0.345 120.229 119.950 -0.110 0.000 2.095 257 F HA -0.192 4.336 4.527 0.000 0.000 0.298 257 F C 2.840 178.528 175.800 -0.187 0.000 1.104 257 F CA 1.983 59.858 58.000 -0.208 0.000 1.232 257 F CB -0.857 38.155 39.000 0.020 0.000 0.987 257 F HN -0.013 nan 8.300 nan 0.000 0.475 258 R N 0.732 121.294 120.500 0.104 0.000 2.080 258 R HA -0.187 4.154 4.340 0.001 0.000 0.236 258 R C 1.419 177.698 176.300 -0.036 0.000 1.137 258 R CA 2.215 58.329 56.100 0.023 0.000 0.943 258 R CB -0.511 29.826 30.300 0.061 0.000 0.846 258 R HN 0.173 nan 8.270 nan 0.000 0.431 259 D N -0.106 120.265 120.400 -0.050 0.000 2.363 259 D HA -0.046 4.595 4.640 0.001 0.000 0.220 259 D C 0.056 176.289 176.300 -0.111 0.000 0.994 259 D CA 0.848 54.822 54.000 -0.042 0.000 0.890 259 D CB -0.087 40.704 40.800 -0.015 0.000 0.906 259 D HN 0.430 nan 8.370 nan 0.000 0.530 260 N N -0.597 117.975 118.700 -0.215 0.000 2.467 260 N HA 0.292 5.032 4.740 0.001 0.000 0.278 260 N C 0.711 176.121 175.510 -0.166 0.000 1.306 260 N CA -0.069 52.834 53.050 -0.244 0.000 0.905 260 N CB 1.360 39.566 38.487 -0.470 0.000 1.236 260 N HN -0.032 nan 8.380 nan 0.000 0.509 261 G N 0.718 109.445 108.800 -0.121 0.000 2.166 261 G HA2 -0.339 3.621 3.960 0.001 0.000 0.260 261 G HA3 -0.339 3.621 3.960 0.001 0.000 0.260 261 G C 0.207 175.017 174.900 -0.151 0.000 0.986 261 G CA 0.641 45.674 45.100 -0.111 0.000 0.683 261 G HN 0.325 nan 8.290 nan 0.000 0.527 262 K N -0.706 119.616 120.400 -0.130 0.000 2.393 262 K HA 0.631 4.952 4.320 0.001 0.000 0.241 262 K C -0.350 176.114 176.600 -0.228 0.000 1.055 262 K CA -0.926 55.334 56.287 -0.044 0.000 0.951 262 K CB 0.868 33.519 32.500 0.251 0.000 1.285 262 K HN 0.286 nan 8.250 nan 0.000 0.500 263 H N -0.564 118.608 119.070 0.170 0.000 2.529 263 H HA 0.508 5.064 4.556 0.000 0.000 0.348 263 H C -1.125 174.227 175.328 0.041 0.000 1.079 263 H CA -0.664 55.424 56.048 0.068 0.000 1.198 263 H CB 2.001 31.744 29.762 -0.031 0.000 1.521 263 H HN 0.661 nan 8.280 nan 0.000 0.514 264 A N 3.168 126.060 122.820 0.121 0.000 2.414 264 A HA 0.517 4.838 4.320 0.001 0.000 0.306 264 A C -1.443 176.146 177.584 0.008 0.000 1.054 264 A CA -0.650 51.388 52.037 0.001 0.000 0.724 264 A CB 1.775 20.780 19.000 0.009 0.000 1.267 264 A HN 0.451 nan 8.150 nan 0.000 0.418 265 L N 2.833 124.040 121.223 -0.027 0.000 2.349 265 L HA 0.745 5.086 4.340 0.001 0.000 0.278 265 L C -1.037 175.799 176.870 -0.057 0.000 0.996 265 L CA -0.358 54.461 54.840 -0.036 0.000 0.825 265 L CB 1.072 43.108 42.059 -0.039 0.000 1.243 265 L HN 0.701 nan 8.230 nan 0.000 0.412 266 I N 5.507 126.009 120.570 -0.113 0.000 2.493 266 I HA 0.535 4.706 4.170 0.001 0.000 0.298 266 I C -1.102 174.813 176.117 -0.337 0.000 0.998 266 I CA -0.681 60.470 61.300 -0.250 0.000 1.137 266 I CB 1.504 39.279 38.000 -0.375 0.000 1.310 266 I HN 0.625 nan 8.210 nan 0.000 0.445 267 I N 7.727 128.091 120.570 -0.343 0.000 2.466 267 I HA 0.201 4.371 4.170 0.001 0.000 0.279 267 I C -1.251 174.619 176.117 -0.411 0.000 1.033 267 I CA -0.434 60.713 61.300 -0.255 0.000 1.123 267 I CB 0.908 38.941 38.000 0.057 0.000 1.237 267 I HN 0.393 nan 8.210 nan 0.000 0.460 268 Y N 4.067 124.272 120.300 -0.158 0.000 2.624 268 Y HA 0.228 4.779 4.550 0.001 0.000 0.354 268 Y C 0.334 176.112 175.900 -0.203 0.000 1.051 268 Y CA -0.386 57.588 58.100 -0.210 0.000 1.377 268 Y CB -0.078 38.256 38.460 -0.210 0.000 1.168 268 Y HN 0.405 nan 8.280 nan 0.000 0.525 269 D N 3.739 124.032 120.400 -0.179 0.000 2.464 269 D HA 0.193 4.834 4.640 0.001 0.000 0.243 269 D C -1.179 175.060 176.300 -0.102 0.000 1.104 269 D CA -0.537 53.384 54.000 -0.132 0.000 0.883 269 D CB 0.336 41.047 40.800 -0.149 0.000 1.050 269 D HN 0.690 nan 8.370 nan 0.000 0.524 270 D N 0.596 120.974 120.400 -0.036 0.000 2.523 270 D HA 0.262 4.903 4.640 0.001 0.000 0.236 270 D C 0.893 177.174 176.300 -0.030 0.000 1.094 270 D CA -0.745 53.240 54.000 -0.025 0.000 0.942 270 D CB 1.250 42.045 40.800 -0.008 0.000 1.447 270 D HN 0.096 nan 8.370 nan 0.000 0.479 271 L N 0.107 121.278 121.223 -0.086 0.000 2.313 271 L HA -0.017 4.324 4.340 0.001 0.000 0.214 271 L C 1.946 178.793 176.870 -0.037 0.000 1.119 271 L CA 0.502 55.243 54.840 -0.165 0.000 0.809 271 L CB -0.276 41.491 42.059 -0.486 0.000 0.933 271 L HN 0.466 nan 8.230 nan 0.000 0.449 272 S N -0.063 115.633 115.700 -0.008 0.000 2.399 272 S HA -0.146 4.324 4.470 0.001 0.000 0.231 272 S C 1.930 176.604 174.600 0.124 0.000 1.022 272 S CA 1.255 59.497 58.200 0.069 0.000 0.983 272 S CB 0.020 63.251 63.200 0.052 0.000 0.803 272 S HN 0.361 nan 8.310 nan 0.000 0.480 273 K N 0.624 121.078 120.400 0.090 0.000 2.243 273 K HA 0.058 4.378 4.320 0.001 0.000 0.201 273 K C 2.307 178.984 176.600 0.128 0.000 1.051 273 K CA 0.422 56.768 56.287 0.099 0.000 0.970 273 K CB -0.039 32.499 32.500 0.064 0.000 0.755 273 K HN 0.310 nan 8.250 nan 0.000 0.465 274 Q N 0.596 120.478 119.800 0.137 0.000 2.123 274 Q HA -0.074 4.267 4.340 0.001 0.000 0.199 274 Q C 1.945 178.110 176.000 0.275 0.000 0.966 274 Q CA 1.109 57.024 55.803 0.187 0.000 0.845 274 Q CB 0.040 28.869 28.738 0.151 0.000 0.907 274 Q HN 0.282 nan 8.270 nan 0.000 0.439 275 A N 0.075 123.079 122.820 0.307 0.000 1.933 275 A HA -0.125 4.195 4.320 0.001 0.000 0.218 275 A C 2.173 180.036 177.584 0.464 0.000 1.175 275 A CA 1.444 53.717 52.037 0.393 0.000 0.628 275 A CB -0.553 18.672 19.000 0.375 0.000 0.814 275 A HN 0.279 nan 8.150 nan 0.000 0.444 276 V N -0.375 119.730 119.914 0.319 0.000 2.323 276 V HA -0.187 3.934 4.120 0.001 0.000 0.244 276 V C 3.028 179.201 176.094 0.131 0.000 1.041 276 V CA 1.795 64.210 62.300 0.192 0.000 1.025 276 V CB -1.121 30.784 31.823 0.136 0.000 0.656 276 V HN 0.596 nan 8.190 nan 0.000 0.451 277 A N -1.230 121.685 122.820 0.158 0.000 1.972 277 A HA -0.248 4.073 4.320 0.001 0.000 0.219 277 A C 2.134 179.802 177.584 0.141 0.000 1.169 277 A CA 1.926 54.039 52.037 0.126 0.000 0.635 277 A CB -0.649 18.439 19.000 0.147 0.000 0.810 277 A HN 0.637 nan 8.150 nan 0.000 0.446 278 Y N 0.060 120.422 120.300 0.104 0.000 2.206 278 Y HA -0.091 4.460 4.550 0.002 0.000 0.292 278 Y C 2.504 178.411 175.900 0.011 0.000 1.123 278 Y CA 1.797 59.936 58.100 0.065 0.000 1.142 278 Y CB -0.356 38.194 38.460 0.150 0.000 1.006 278 Y HN 0.300 nan 8.280 nan 0.000 0.518 279 R N 0.469 121.020 120.500 0.084 0.000 2.096 279 R HA -0.300 4.040 4.340 0.001 0.000 0.240 279 R C 2.432 178.626 176.300 -0.177 0.000 1.139 279 R CA 2.178 58.227 56.100 -0.084 0.000 0.952 279 R CB -0.527 29.642 30.300 -0.219 0.000 0.854 279 R HN 0.562 nan 8.270 nan 0.000 0.436 280 Q N 0.202 119.922 119.800 -0.134 0.000 2.062 280 Q HA -0.269 4.072 4.340 0.001 0.000 0.209 280 Q C 2.140 178.037 176.000 -0.173 0.000 0.996 280 Q CA 2.649 58.373 55.803 -0.131 0.000 0.859 280 Q CB -0.147 28.538 28.738 -0.089 0.000 0.920 280 Q HN 0.468 nan 8.270 nan 0.000 0.415 281 M N -0.342 119.114 119.600 -0.239 0.000 2.080 281 M HA -0.173 4.308 4.480 0.001 0.000 0.260 281 M C 2.435 178.560 176.300 -0.291 0.000 1.068 281 M CA 1.598 56.729 55.300 -0.282 0.000 1.109 281 M CB -0.173 32.192 32.600 -0.392 0.000 1.342 281 M HN 0.161 nan 8.290 nan 0.000 0.405 282 S N 0.953 116.426 115.700 -0.379 0.000 2.348 282 S HA -0.085 4.386 4.470 0.001 0.000 0.221 282 S C 1.875 176.378 174.600 -0.163 0.000 1.033 282 S CA 1.200 59.233 58.200 -0.278 0.000 1.010 282 S CB -0.468 62.567 63.200 -0.274 0.000 0.891 282 S HN 0.365 nan 8.310 nan 0.000 0.442 283 L N 0.910 122.041 121.223 -0.153 0.000 2.079 283 L HA -0.118 4.222 4.340 0.001 0.000 0.210 283 L C 2.038 178.851 176.870 -0.095 0.000 1.081 283 L CA 1.105 55.877 54.840 -0.112 0.000 0.752 283 L CB -0.442 41.547 42.059 -0.117 0.000 0.896 283 L HN 0.298 nan 8.230 nan 0.000 0.433 284 L N -1.299 119.860 121.223 -0.106 0.000 2.375 284 L HA -0.057 4.284 4.340 0.001 0.000 0.215 284 L C 2.039 178.864 176.870 -0.075 0.000 1.108 284 L CA 0.279 55.069 54.840 -0.084 0.000 0.830 284 L CB -0.066 41.942 42.059 -0.085 0.000 0.959 284 L HN 0.233 nan 8.230 nan 0.000 0.457 285 L N -0.378 120.789 121.223 -0.093 0.000 2.599 285 L HA 0.054 4.395 4.340 0.001 0.000 0.230 285 L C 0.487 177.324 176.870 -0.055 0.000 1.141 285 L CA 0.162 54.958 54.840 -0.072 0.000 0.877 285 L CB -0.155 41.849 42.059 -0.092 0.000 1.009 285 L HN 0.250 nan 8.230 nan 0.000 0.447 286 R N 0.878 121.342 120.500 -0.060 0.000 3.261 286 R HA -0.147 4.194 4.340 0.001 0.000 0.257 286 R C -0.188 176.089 176.300 -0.038 0.000 1.014 286 R CA 0.318 56.391 56.100 -0.046 0.000 0.681 286 R CB -1.426 28.855 30.300 -0.032 0.000 1.155 286 R HN 0.395 nan 8.270 nan 0.000 0.424 287 R N 0.680 121.152 120.500 -0.047 0.000 2.500 287 R HA 0.303 4.643 4.340 0.001 0.000 0.275 287 R C -2.021 174.264 176.300 -0.024 0.000 1.051 287 R CA -1.823 54.260 56.100 -0.029 0.000 1.088 287 R CB 0.467 30.750 30.300 -0.027 0.000 1.063 287 R HN -0.069 nan 8.270 nan 0.000 0.511 288 P HA 0.046 nan 4.420 nan 0.000 0.265 288 P C -2.397 174.896 177.300 -0.013 0.000 1.193 288 P CA -0.812 62.282 63.100 -0.011 0.000 0.765 288 P CB 0.085 31.784 31.700 -0.002 0.000 0.823 289 P HA 0.344 nan 4.420 nan 0.000 0.286 289 P C -0.093 177.189 177.300 -0.031 0.000 1.261 289 P CA -0.139 62.941 63.100 -0.033 0.000 0.821 289 P CB 1.715 33.386 31.700 -0.049 0.000 1.013 290 G N 1.495 110.272 108.800 -0.039 0.000 3.211 290 G HA2 0.371 4.332 3.960 0.001 0.000 0.167 290 G HA3 0.371 4.332 3.960 0.001 0.000 0.167 290 G C -0.661 174.183 174.900 -0.094 0.000 1.212 290 G CA -0.922 44.136 45.100 -0.070 0.000 0.928 290 G HN 0.557 nan 8.290 nan 0.000 0.607 291 R N 0.584 120.975 120.500 -0.182 0.000 2.504 291 R HA 0.092 4.433 4.340 0.001 0.000 0.291 291 R C 0.024 176.303 176.300 -0.034 0.000 0.974 291 R CA 1.015 57.023 56.100 -0.154 0.000 1.077 291 R CB -0.308 29.831 30.300 -0.268 0.000 0.926 291 R HN 0.693 nan 8.270 nan 0.000 0.407 292 E N 2.730 122.959 120.200 0.049 0.000 2.539 292 E HA -0.325 4.026 4.350 0.001 0.000 0.253 292 E C 0.239 176.827 176.600 -0.020 0.000 1.145 292 E CA 0.497 56.968 56.400 0.118 0.000 0.738 292 E CB -1.358 28.544 29.700 0.336 0.000 1.308 292 E HN 0.893 nan 8.360 nan 0.000 0.409 293 A N -2.131 120.646 122.820 -0.071 0.000 2.899 293 A HA -0.294 4.027 4.320 0.001 0.000 0.257 293 A C -0.138 177.313 177.584 -0.222 0.000 1.335 293 A CA 1.646 53.590 52.037 -0.156 0.000 0.924 293 A CB -2.130 16.757 19.000 -0.188 0.000 1.105 293 A HN 0.436 nan 8.150 nan 0.000 0.765 294 Y N 0.647 120.914 120.300 -0.056 0.000 2.304 294 Y HA 0.484 5.034 4.550 0.001 0.000 0.328 294 Y C -1.180 174.717 175.900 -0.006 0.000 1.123 294 Y CA -1.504 56.594 58.100 -0.003 0.000 1.218 294 Y CB 0.640 39.114 38.460 0.023 0.000 1.207 294 Y HN 0.250 nan 8.280 nan 0.000 0.495 295 P HA 0.013 nan 4.420 nan 0.000 0.273 295 P C 0.660 178.087 177.300 0.210 0.000 1.250 295 P CA 0.087 63.293 63.100 0.176 0.000 0.793 295 P CB 0.888 32.717 31.700 0.214 0.000 1.011 296 G N 0.987 109.884 108.800 0.161 0.000 2.432 296 G HA2 -0.204 3.757 3.960 0.001 0.000 0.219 296 G HA3 -0.204 3.757 3.960 0.001 0.000 0.219 296 G C 0.615 175.649 174.900 0.223 0.000 1.135 296 G CA 0.649 45.843 45.100 0.157 0.000 0.767 296 G HN 0.650 nan 8.290 nan 0.000 0.550 297 D N 0.326 120.887 120.400 0.269 0.000 2.561 297 D HA 0.126 4.766 4.640 0.001 0.000 0.232 297 D C 1.437 177.897 176.300 0.268 0.000 1.198 297 D CA -0.430 53.773 54.000 0.338 0.000 0.826 297 D CB 0.447 41.493 40.800 0.410 0.000 0.992 297 D HN 0.137 nan 8.370 nan 0.000 0.490 298 V N -0.556 119.513 119.914 0.258 0.000 2.992 298 V HA 0.026 4.147 4.120 0.001 0.000 0.250 298 V C 1.531 177.627 176.094 0.002 0.000 1.090 298 V CA 0.439 62.789 62.300 0.083 0.000 1.101 298 V CB -0.568 31.410 31.823 0.259 0.000 0.743 298 V HN 0.177 nan 8.190 nan 0.000 0.468 299 F N 0.229 120.209 119.950 0.051 0.000 2.146 299 F HA -0.147 4.381 4.527 0.001 0.000 0.298 299 F C 2.095 177.929 175.800 0.056 0.000 1.096 299 F CA 2.211 60.224 58.000 0.022 0.000 1.275 299 F CB -0.476 38.554 39.000 0.049 0.000 1.008 299 F HN 0.368 nan 8.300 nan 0.000 0.480 300 Y N 0.410 120.865 120.300 0.259 0.000 2.421 300 Y HA -0.106 4.445 4.550 0.001 0.000 0.292 300 Y C 1.955 177.851 175.900 -0.006 0.000 1.136 300 Y CA 1.247 59.438 58.100 0.151 0.000 1.255 300 Y CB -0.635 37.912 38.460 0.145 0.000 0.991 300 Y HN 0.219 nan 8.280 nan 0.000 0.552 301 L N -0.547 120.548 121.223 -0.213 0.000 2.056 301 L HA -0.189 4.152 4.340 0.001 0.000 0.207 301 L C 1.961 178.670 176.870 -0.268 0.000 1.078 301 L CA 2.170 56.782 54.840 -0.379 0.000 0.749 301 L CB -0.530 41.164 42.059 -0.609 0.000 0.901 301 L HN 0.299 nan 8.230 nan 0.000 0.433 302 H N -2.228 116.701 119.070 -0.235 0.000 2.520 302 H HA 0.050 4.607 4.556 0.001 0.000 0.279 302 H C 2.324 177.457 175.328 -0.325 0.000 0.990 302 H CA 0.625 56.481 56.048 -0.320 0.000 1.288 302 H CB 0.221 29.775 29.762 -0.348 0.000 1.446 302 H HN 0.471 nan 8.280 nan 0.000 0.538 303 S N 1.530 117.109 115.700 -0.202 0.000 2.383 303 S HA -0.187 4.284 4.470 0.001 0.000 0.227 303 S C 2.029 176.589 174.600 -0.067 0.000 1.026 303 S CA 0.983 59.081 58.200 -0.169 0.000 0.981 303 S CB -0.173 62.981 63.200 -0.076 0.000 0.818 303 S HN 0.534 nan 8.310 nan 0.000 0.472 304 R N 0.479 120.936 120.500 -0.072 0.000 2.200 304 R HA 0.258 4.598 4.340 0.001 0.000 0.208 304 R C 2.179 178.467 176.300 -0.020 0.000 1.033 304 R CA 0.739 56.812 56.100 -0.044 0.000 1.000 304 R CB -0.578 29.649 30.300 -0.122 0.000 0.906 304 R HN 0.443 nan 8.270 nan 0.000 0.462 305 L N 0.873 122.054 121.223 -0.070 0.000 2.095 305 L HA 0.089 4.430 4.340 0.001 0.000 0.204 305 L C 1.847 178.610 176.870 -0.179 0.000 1.080 305 L CA 1.458 56.190 54.840 -0.181 0.000 0.759 305 L CB -0.007 41.742 42.059 -0.517 0.000 0.914 305 L HN 0.182 nan 8.230 nan 0.000 0.439 306 L N -1.003 120.116 121.223 -0.173 0.000 2.477 306 L HA 0.084 4.425 4.340 0.001 0.000 0.220 306 L C 2.222 179.062 176.870 -0.050 0.000 1.106 306 L CA 0.024 54.791 54.840 -0.121 0.000 0.851 306 L CB -0.333 41.627 42.059 -0.165 0.000 0.994 306 L HN 0.169 nan 8.230 nan 0.000 0.462 307 E N 0.521 120.696 120.200 -0.040 0.000 2.208 307 E HA -0.113 4.238 4.350 0.001 0.000 0.193 307 E C 2.060 178.662 176.600 0.004 0.000 0.988 307 E CA 0.542 56.934 56.400 -0.012 0.000 0.828 307 E CB -0.000 29.701 29.700 0.002 0.000 0.763 307 E HN 0.399 nan 8.360 nan 0.000 0.478 308 R N 0.703 121.210 120.500 0.011 0.000 2.249 308 R HA -0.037 4.304 4.340 0.001 0.000 0.230 308 R C 0.819 177.143 176.300 0.041 0.000 1.121 308 R CA 0.694 56.813 56.100 0.032 0.000 0.997 308 R CB -0.125 30.206 30.300 0.052 0.000 0.867 308 R HN -0.054 nan 8.270 nan 0.000 0.465 309 A N 0.831 123.675 122.820 0.039 0.000 2.362 309 A HA 0.624 4.944 4.320 0.001 0.000 0.276 309 A C -0.273 177.324 177.584 0.021 0.000 1.153 309 A CA -0.029 52.033 52.037 0.042 0.000 0.813 309 A CB 0.673 19.702 19.000 0.048 0.000 1.081 309 A HN 0.291 nan 8.150 nan 0.000 0.507 310 A N 2.256 125.089 122.820 0.021 0.000 2.581 310 A HA 0.769 5.089 4.320 0.001 0.000 0.290 310 A C -0.890 176.704 177.584 0.016 0.000 1.119 310 A CA -0.727 51.314 52.037 0.007 0.000 0.670 310 A CB 1.080 20.072 19.000 -0.013 0.000 1.280 310 A HN 0.932 nan 8.150 nan 0.000 0.425 311 K N 1.219 121.624 120.400 0.008 0.000 2.425 311 K HA 0.602 4.923 4.320 0.001 0.000 0.259 311 K C -0.736 175.863 176.600 -0.000 0.000 0.978 311 K CA -0.310 55.991 56.287 0.023 0.000 0.883 311 K CB 0.538 33.058 32.500 0.032 0.000 1.110 311 K HN 0.583 nan 8.250 nan 0.000 0.436 312 M N 2.850 122.452 119.600 0.002 0.000 2.250 312 M HA 0.231 4.712 4.480 0.001 0.000 0.344 312 M C 0.071 176.387 176.300 0.028 0.000 1.150 312 M CA -0.682 54.612 55.300 -0.009 0.000 1.147 312 M CB 0.234 32.849 32.600 0.025 0.000 1.498 312 M HN 0.709 nan 8.290 nan 0.000 0.461 313 N N 0.893 119.614 118.700 0.036 0.000 2.424 313 N HA 0.109 4.850 4.740 0.001 0.000 0.257 313 N C -0.000 175.576 175.510 0.110 0.000 1.250 313 N CA -0.419 52.672 53.050 0.069 0.000 0.946 313 N CB 0.363 38.890 38.487 0.067 0.000 1.175 313 N HN 0.400 nan 8.380 nan 0.000 0.477 314 D N -0.471 119.978 120.400 0.081 0.000 2.354 314 D HA -0.112 4.529 4.640 0.001 0.000 0.216 314 D C 1.481 177.827 176.300 0.077 0.000 0.970 314 D CA 0.973 55.013 54.000 0.067 0.000 0.905 314 D CB -0.370 40.456 40.800 0.044 0.000 0.903 314 D HN 0.707 nan 8.370 nan 0.000 0.508 315 A N -0.071 122.829 122.820 0.133 0.000 1.930 315 A HA -0.110 4.211 4.320 0.001 0.000 0.217 315 A C 1.266 178.911 177.584 0.101 0.000 1.175 315 A CA 0.762 52.885 52.037 0.144 0.000 0.627 315 A CB -0.359 18.797 19.000 0.259 0.000 0.815 315 A HN 0.141 nan 8.150 nan 0.000 0.443 316 F N -0.890 119.052 119.950 -0.014 0.000 2.772 316 F HA 0.439 4.967 4.527 0.001 0.000 0.302 316 F C 1.607 177.386 175.800 -0.034 0.000 1.136 316 F CA 0.199 58.186 58.000 -0.021 0.000 1.322 316 F CB 0.474 39.464 39.000 -0.017 0.000 0.967 316 F HN 0.347 nan 8.300 nan 0.000 0.513 317 G N -0.344 108.500 108.800 0.074 0.000 2.258 317 G HA2 -0.147 3.814 3.960 0.001 0.000 0.233 317 G HA3 -0.147 3.814 3.960 0.001 0.000 0.233 317 G C 1.297 176.205 174.900 0.014 0.000 1.006 317 G CA -0.024 45.086 45.100 0.017 0.000 0.620 317 G HN 1.170 nan 8.290 nan 0.000 0.511 318 G N -0.333 108.494 108.800 0.044 0.000 2.143 318 G HA2 0.219 4.180 3.960 0.001 0.000 0.248 318 G HA3 0.219 4.180 3.960 0.001 0.000 0.248 318 G C 1.357 176.235 174.900 -0.037 0.000 0.991 318 G CA 1.038 46.154 45.100 0.027 0.000 0.689 318 G HN 2.115 nan 8.290 nan 0.000 0.522 319 G N -0.501 108.248 108.800 -0.086 0.000 2.599 319 G HA2 0.737 4.698 3.960 0.001 0.000 0.264 319 G HA3 0.737 4.698 3.960 0.001 0.000 0.264 319 G C 0.243 175.068 174.900 -0.125 0.000 1.200 319 G CA 0.791 45.755 45.100 -0.227 0.000 0.896 319 G HN 1.790 nan 8.290 nan 0.000 0.536 320 S N -0.926 114.692 115.700 -0.137 0.000 2.536 320 S HA 0.589 5.060 4.470 0.001 0.000 0.271 320 S C -1.317 173.341 174.600 0.097 0.000 1.134 320 S CA -0.814 57.425 58.200 0.064 0.000 0.897 320 S CB 1.882 65.213 63.200 0.217 0.000 1.094 320 S HN 0.991 nan 8.310 nan 0.000 0.473 321 L N 2.095 123.366 121.223 0.080 0.000 2.322 321 L HA 0.827 5.168 4.340 0.001 0.000 0.281 321 L C -0.807 176.095 176.870 0.054 0.000 1.014 321 L CA 0.213 55.100 54.840 0.078 0.000 0.815 321 L CB 1.966 44.075 42.059 0.082 0.000 1.247 321 L HN 0.917 nan 8.230 nan 0.000 0.421 322 T N 4.411 118.985 114.554 0.034 0.000 2.812 322 T HA 0.821 5.172 4.350 0.001 0.000 0.282 322 T C -0.357 174.339 174.700 -0.006 0.000 0.990 322 T CA -0.350 61.755 62.100 0.009 0.000 0.960 322 T CB 1.439 70.300 68.868 -0.012 0.000 0.948 322 T HN 0.839 nan 8.240 nan 0.000 0.438 323 A N 3.352 126.177 122.820 0.009 0.000 2.312 323 A HA 0.833 5.154 4.320 0.001 0.000 0.326 323 A C -0.470 177.119 177.584 0.008 0.000 1.172 323 A CA -0.732 51.323 52.037 0.030 0.000 0.821 323 A CB 0.488 19.564 19.000 0.127 0.000 1.166 323 A HN 0.885 nan 8.150 nan 0.000 0.493 324 L N 4.333 125.553 121.223 -0.006 0.000 2.481 324 L HA 0.315 4.656 4.340 0.001 0.000 0.255 324 L C -2.420 174.468 176.870 0.031 0.000 1.192 324 L CA -1.639 53.195 54.840 -0.009 0.000 0.924 324 L CB 2.132 44.174 42.059 -0.029 0.000 1.179 324 L HN 0.522 nan 8.230 nan 0.000 0.491 325 P HA 0.176 nan 4.420 nan 0.000 0.275 325 P C -0.669 176.610 177.300 -0.034 0.000 1.228 325 P CA -0.191 62.929 63.100 0.032 0.000 0.786 325 P CB 1.991 33.641 31.700 -0.084 0.000 0.927 326 V N 4.148 124.042 119.914 -0.034 0.000 2.459 326 V HA 0.409 4.530 4.120 0.001 0.000 0.295 326 V C 0.355 176.412 176.094 -0.061 0.000 1.029 326 V CA -0.576 61.701 62.300 -0.038 0.000 0.874 326 V CB 1.597 33.417 31.823 -0.004 0.000 0.985 326 V HN 0.417 nan 8.190 nan 0.000 0.438 327 I N 3.372 123.907 120.570 -0.059 0.000 2.466 327 I HA 0.416 4.586 4.170 0.001 0.000 0.289 327 I C -0.006 176.104 176.117 -0.011 0.000 1.026 327 I CA -0.364 60.907 61.300 -0.048 0.000 1.078 327 I CB 2.051 40.009 38.000 -0.070 0.000 1.249 327 I HN 0.790 nan 8.210 nan 0.000 0.429 328 E N 5.149 125.353 120.200 0.008 0.000 2.167 328 E HA 0.372 4.723 4.350 0.001 0.000 0.284 328 E C -0.581 176.042 176.600 0.038 0.000 1.016 328 E CA -0.334 56.081 56.400 0.025 0.000 0.817 328 E CB 1.032 30.751 29.700 0.030 0.000 1.080 328 E HN 0.682 nan 8.360 nan 0.000 0.397 329 T N 1.897 116.478 114.554 0.046 0.000 2.925 329 T HA 0.367 4.718 4.350 0.001 0.000 0.285 329 T C -0.241 174.490 174.700 0.051 0.000 1.021 329 T CA -1.090 61.044 62.100 0.056 0.000 1.042 329 T CB 1.677 70.588 68.868 0.071 0.000 1.037 329 T HN 0.320 nan 8.240 nan 0.000 0.481 330 Q N 0.833 120.665 119.800 0.053 0.000 2.333 330 Q HA 0.562 4.902 4.340 0.001 0.000 0.265 330 Q C 0.512 176.536 176.000 0.041 0.000 0.989 330 Q CA -0.259 55.571 55.803 0.045 0.000 0.842 330 Q CB 1.390 30.157 28.738 0.048 0.000 1.262 330 Q HN 1.299 nan 8.270 nan 0.000 0.451 331 A N 2.189 125.029 122.820 0.034 0.000 2.872 331 A HA -0.172 4.149 4.320 0.001 0.000 0.273 331 A C 1.159 178.762 177.584 0.031 0.000 1.442 331 A CA 1.527 53.581 52.037 0.029 0.000 0.801 331 A CB -2.149 16.866 19.000 0.025 0.000 1.031 331 A HN 1.619 nan 8.150 nan 0.000 0.582 332 G N -1.288 107.537 108.800 0.041 0.000 2.168 332 G HA2 -0.228 3.732 3.960 0.001 0.000 0.263 332 G HA3 -0.228 3.732 3.960 0.001 0.000 0.263 332 G C -0.010 174.915 174.900 0.041 0.000 0.977 332 G CA 1.148 46.275 45.100 0.045 0.000 0.659 332 G HN 1.821 nan 8.290 nan 0.000 0.533 333 D N 0.777 121.202 120.400 0.043 0.000 2.367 333 D HA 0.356 4.996 4.640 0.001 0.000 0.255 333 D C 1.800 178.133 176.300 0.056 0.000 1.300 333 D CA 0.411 54.436 54.000 0.041 0.000 0.959 333 D CB 0.612 41.438 40.800 0.044 0.000 1.064 333 D HN 0.600 nan 8.370 nan 0.000 0.509 334 V N 1.212 121.159 119.914 0.053 0.000 3.573 334 V HA 0.063 4.184 4.120 0.001 0.000 0.270 334 V C 1.330 177.461 176.094 0.062 0.000 1.221 334 V CA 0.384 62.734 62.300 0.084 0.000 1.163 334 V CB -0.153 31.743 31.823 0.123 0.000 0.847 334 V HN 0.326 nan 8.190 nan 0.000 0.468 335 S N 0.999 116.727 115.700 0.046 0.000 2.597 335 S HA 0.606 5.077 4.470 0.001 0.000 0.224 335 S C 1.068 175.707 174.600 0.065 0.000 0.955 335 S CA 0.290 58.517 58.200 0.046 0.000 0.933 335 S CB -0.049 63.173 63.200 0.037 0.000 0.788 335 S HN 0.811 nan 8.310 nan 0.000 0.488 336 A N 0.476 123.338 122.820 0.070 0.000 2.386 336 A HA 0.388 4.709 4.320 0.001 0.000 0.248 336 A C 0.811 178.455 177.584 0.100 0.000 1.082 336 A CA -0.272 51.824 52.037 0.099 0.000 0.789 336 A CB -0.042 19.014 19.000 0.093 0.000 1.025 336 A HN 0.413 nan 8.150 nan 0.000 0.490 337 Y N 2.028 122.338 120.300 0.015 0.000 2.081 337 Y HA -0.265 4.286 4.550 0.001 0.000 0.280 337 Y C 1.813 177.679 175.900 -0.057 0.000 1.163 337 Y CA 2.501 60.594 58.100 -0.011 0.000 1.135 337 Y CB -0.053 38.397 38.460 -0.015 0.000 0.970 337 Y HN 0.562 nan 8.280 nan 0.000 0.498 338 I N 0.390 120.908 120.570 -0.087 0.000 2.142 338 I HA -0.189 3.982 4.170 0.001 0.000 0.240 338 I C -0.410 175.634 176.117 -0.121 0.000 1.078 338 I CA 1.392 62.594 61.300 -0.163 0.000 1.343 338 I CB -2.789 35.125 38.000 -0.143 0.000 1.046 338 I HN 0.180 nan 8.210 nan 0.000 0.405 339 P HA -0.108 nan 4.420 nan 0.000 0.215 339 P C 1.752 179.024 177.300 -0.046 0.000 1.153 339 P CA 1.798 64.876 63.100 -0.038 0.000 0.853 339 P CB -0.228 31.484 31.700 0.020 0.000 0.788 340 T N -0.780 113.739 114.554 -0.057 0.000 2.720 340 T HA -0.160 4.191 4.350 0.001 0.000 0.268 340 T C 1.585 176.242 174.700 -0.072 0.000 1.037 340 T CA 1.462 63.532 62.100 -0.051 0.000 1.144 340 T CB -0.965 67.868 68.868 -0.058 0.000 0.864 340 T HN 0.118 nan 8.240 nan 0.000 0.444 341 N N 1.193 119.796 118.700 -0.162 0.000 2.013 341 N HA -0.089 4.652 4.740 0.001 0.000 0.195 341 N C 2.060 177.454 175.510 -0.193 0.000 1.051 341 N CA 1.135 54.098 53.050 -0.146 0.000 0.851 341 N CB -1.034 37.318 38.487 -0.224 0.000 1.044 341 N HN 0.224 nan 8.380 nan 0.000 0.422 342 V N 1.768 121.569 119.914 -0.188 0.000 2.490 342 V HA -0.161 3.960 4.120 0.001 0.000 0.250 342 V C 2.287 178.298 176.094 -0.138 0.000 1.061 342 V CA 1.056 63.233 62.300 -0.205 0.000 1.064 342 V CB -0.531 31.154 31.823 -0.231 0.000 0.670 342 V HN 0.239 nan 8.190 nan 0.000 0.461 343 I N 1.202 121.726 120.570 -0.077 0.000 2.163 343 I HA -0.273 3.897 4.170 0.001 0.000 0.243 343 I C 2.741 178.849 176.117 -0.015 0.000 1.085 343 I CA 2.064 63.349 61.300 -0.025 0.000 1.347 343 I CB -0.494 37.535 38.000 0.048 0.000 1.044 343 I HN 0.512 nan 8.210 nan 0.000 0.408 344 S N 1.077 116.777 115.700 -0.000 0.000 2.383 344 S HA -0.111 4.359 4.470 0.001 0.000 0.227 344 S C 2.076 176.673 174.600 -0.004 0.000 1.026 344 S CA 0.651 58.871 58.200 0.033 0.000 0.981 344 S CB -0.536 62.730 63.200 0.109 0.000 0.818 344 S HN 0.256 nan 8.310 nan 0.000 0.472 345 I N 3.105 123.618 120.570 -0.094 0.000 2.151 345 I HA -0.107 4.064 4.170 0.001 0.000 0.243 345 I C 1.813 177.875 176.117 -0.091 0.000 1.080 345 I CA 1.598 62.807 61.300 -0.153 0.000 1.339 345 I CB -2.499 35.331 38.000 -0.284 0.000 1.039 345 I HN 0.560 nan 8.210 nan 0.000 0.409 346 T N -1.503 112.999 114.554 -0.088 0.000 2.824 346 T HA 0.159 4.510 4.350 0.001 0.000 0.277 346 T C 0.803 175.479 174.700 -0.041 0.000 0.975 346 T CA -0.599 61.459 62.100 -0.070 0.000 0.966 346 T CB 1.487 70.302 68.868 -0.088 0.000 1.054 346 T HN 0.099 nan 8.240 nan 0.000 0.533 347 D N 0.107 120.485 120.400 -0.036 0.000 2.348 347 D HA 0.269 4.910 4.640 0.001 0.000 0.211 347 D C 1.004 177.291 176.300 -0.022 0.000 0.998 347 D CA 0.680 54.667 54.000 -0.022 0.000 0.873 347 D CB 0.167 40.955 40.800 -0.020 0.000 0.925 347 D HN 0.867 nan 8.370 nan 0.000 0.524 348 G N -0.256 108.520 108.800 -0.040 0.000 2.356 348 G HA2 0.417 4.378 3.960 0.001 0.000 0.294 348 G HA3 0.417 4.378 3.960 0.001 0.000 0.294 348 G C -1.866 172.970 174.900 -0.107 0.000 1.423 348 G CA -0.741 44.331 45.100 -0.046 0.000 0.806 348 G HN -0.084 nan 8.290 nan 0.000 0.527 349 Q N -1.098 118.607 119.800 -0.157 0.000 2.451 349 Q HA 0.762 5.103 4.340 0.001 0.000 0.281 349 Q C -0.750 175.008 176.000 -0.403 0.000 1.099 349 Q CA -0.571 55.002 55.803 -0.383 0.000 0.806 349 Q CB 2.901 31.208 28.738 -0.718 0.000 1.419 349 Q HN 0.585 nan 8.270 nan 0.000 0.427 350 I N 1.620 121.907 120.570 -0.471 0.000 2.439 350 I HA 0.418 4.588 4.170 0.001 0.000 0.285 350 I C -1.124 174.775 176.117 -0.364 0.000 1.021 350 I CA -0.574 60.554 61.300 -0.287 0.000 1.091 350 I CB 0.826 38.748 38.000 -0.130 0.000 1.242 350 I HN 0.428 nan 8.210 nan 0.000 0.439 351 F N 6.525 126.483 119.950 0.013 0.000 2.405 351 F HA 0.498 5.026 4.527 0.001 0.000 0.355 351 F C 0.044 175.861 175.800 0.029 0.000 1.121 351 F CA -0.528 57.483 58.000 0.018 0.000 1.112 351 F CB 0.907 39.917 39.000 0.017 0.000 1.126 351 F HN 0.165 nan 8.300 nan 0.000 0.481 352 L N 3.679 125.010 121.223 0.181 0.000 2.307 352 L HA 0.567 4.908 4.340 0.001 0.000 0.284 352 L C -0.482 176.476 176.870 0.145 0.000 1.023 352 L CA -0.660 54.265 54.840 0.142 0.000 0.810 352 L CB 1.692 43.812 42.059 0.102 0.000 1.231 352 L HN 0.567 nan 8.230 nan 0.000 0.423 353 E N 0.530 120.818 120.200 0.147 0.000 2.238 353 E HA 0.289 4.640 4.350 0.001 0.000 0.267 353 E C 0.182 176.881 176.600 0.165 0.000 0.887 353 E CA -0.497 55.983 56.400 0.133 0.000 0.769 353 E CB 2.304 32.071 29.700 0.112 0.000 1.187 353 E HN 0.537 nan 8.360 nan 0.000 0.416 354 T N 1.030 115.672 114.554 0.147 0.000 2.720 354 T HA -0.226 4.124 4.350 0.001 0.000 0.268 354 T C 1.518 176.410 174.700 0.320 0.000 1.037 354 T CA 1.503 63.732 62.100 0.215 0.000 1.144 354 T CB -0.035 68.928 68.868 0.158 0.000 0.864 354 T HN 0.548 nan 8.240 nan 0.000 0.444 355 E N 0.913 121.238 120.200 0.209 0.000 2.021 355 E HA -0.156 4.195 4.350 0.001 0.000 0.200 355 E C 2.210 178.931 176.600 0.202 0.000 1.015 355 E CA 1.193 57.707 56.400 0.189 0.000 0.824 355 E CB -0.318 29.448 29.700 0.110 0.000 0.762 355 E HN 0.404 nan 8.360 nan 0.000 0.454 356 L N 0.168 121.486 121.223 0.159 0.000 2.089 356 L HA -0.232 4.108 4.340 0.001 0.000 0.213 356 L C 2.469 179.408 176.870 0.115 0.000 1.079 356 L CA 1.419 56.331 54.840 0.121 0.000 0.758 356 L CB -0.493 41.629 42.059 0.106 0.000 0.891 356 L HN 0.248 nan 8.230 nan 0.000 0.433 357 F N -0.454 119.503 119.950 0.012 0.000 2.031 357 F HA -0.287 4.241 4.527 0.001 0.000 0.295 357 F C 2.275 177.968 175.800 -0.177 0.000 1.133 357 F CA 1.746 59.673 58.000 -0.121 0.000 1.188 357 F CB -0.379 38.496 39.000 -0.209 0.000 0.974 357 F HN -0.084 nan 8.300 nan 0.000 0.473 358 Y N -0.145 120.331 120.300 0.292 0.000 2.457 358 Y HA -0.051 4.500 4.550 0.001 0.000 0.292 358 Y C 2.304 178.246 175.900 0.070 0.000 1.125 358 Y CA 1.024 59.231 58.100 0.178 0.000 1.254 358 Y CB -0.528 38.042 38.460 0.183 0.000 1.012 358 Y HN 0.007 nan 8.280 nan 0.000 0.555 359 K N -0.585 119.925 120.400 0.183 0.000 2.209 359 K HA -0.054 4.267 4.320 0.001 0.000 0.204 359 K C 1.539 178.160 176.600 0.035 0.000 1.048 359 K CA 1.254 57.601 56.287 0.100 0.000 0.940 359 K CB -0.209 32.344 32.500 0.089 0.000 0.729 359 K HN 0.488 nan 8.250 nan 0.000 0.451 360 G N -0.081 108.702 108.800 -0.027 0.000 2.617 360 G HA2 -0.144 3.816 3.960 0.001 0.000 0.197 360 G HA3 -0.144 3.816 3.960 0.001 0.000 0.197 360 G C 0.016 174.833 174.900 -0.138 0.000 1.017 360 G CA -0.142 44.902 45.100 -0.093 0.000 0.713 360 G HN 0.106 nan 8.290 nan 0.000 0.481 361 I N 2.717 123.237 120.570 -0.084 0.000 2.725 361 I HA 0.261 4.431 4.170 0.001 0.000 0.296 361 I C 0.555 176.594 176.117 -0.129 0.000 1.155 361 I CA 0.722 61.978 61.300 -0.072 0.000 1.450 361 I CB -1.082 36.913 38.000 -0.009 0.000 1.478 361 I HN 0.171 nan 8.210 nan 0.000 0.642 362 R N 7.489 127.881 120.500 -0.181 0.000 2.480 362 R HA 0.432 4.772 4.340 0.001 0.000 0.306 362 R C -2.476 173.741 176.300 -0.138 0.000 0.958 362 R CA -1.694 54.270 56.100 -0.227 0.000 0.861 362 R CB 2.475 32.524 30.300 -0.419 0.000 1.171 362 R HN 0.287 nan 8.270 nan 0.000 0.445 363 P HA 0.020 nan 4.420 nan 0.000 0.271 363 P C -0.300 176.991 177.300 -0.015 0.000 1.216 363 P CA -0.082 62.986 63.100 -0.054 0.000 0.771 363 P CB 1.007 32.691 31.700 -0.028 0.000 0.864 364 A N 4.897 127.742 122.820 0.041 0.000 2.711 364 A HA 0.116 4.436 4.320 0.001 0.000 0.242 364 A C 0.826 178.467 177.584 0.095 0.000 1.607 364 A CA -0.264 51.825 52.037 0.088 0.000 1.370 364 A CB -1.558 17.570 19.000 0.214 0.000 0.934 364 A HN 0.506 nan 8.150 nan 0.000 0.628 365 I N 1.322 121.931 120.570 0.065 0.000 2.436 365 I HA 0.000 4.171 4.170 0.001 0.000 0.289 365 I C 0.650 176.822 176.117 0.091 0.000 1.083 365 I CA -0.338 61.008 61.300 0.076 0.000 1.372 365 I CB 0.413 38.442 38.000 0.048 0.000 1.408 365 I HN 0.366 nan 8.210 nan 0.000 0.516 366 N N 6.691 125.468 118.700 0.128 0.000 2.400 366 N HA 0.016 4.757 4.740 0.001 0.000 0.267 366 N C 0.896 176.475 175.510 0.116 0.000 1.208 366 N CA 0.052 53.172 53.050 0.118 0.000 0.951 366 N CB 1.275 39.836 38.487 0.122 0.000 1.227 366 N HN 0.431 nan 8.380 nan 0.000 0.488 367 V N 4.135 124.101 119.914 0.087 0.000 2.392 367 V HA -0.197 3.923 4.120 0.001 0.000 0.249 367 V C 2.392 178.532 176.094 0.076 0.000 1.059 367 V CA 2.189 64.536 62.300 0.078 0.000 1.051 367 V CB -1.035 30.830 31.823 0.070 0.000 0.658 367 V HN 0.745 nan 8.190 nan 0.000 0.455 368 G N 0.067 108.904 108.800 0.062 0.000 2.604 368 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 368 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 368 G C 1.546 176.470 174.900 0.040 0.000 1.265 368 G CA 1.196 46.319 45.100 0.038 0.000 0.804 368 G HN 0.434 nan 8.290 nan 0.000 0.579 369 L N 0.712 121.948 121.223 0.020 0.000 2.056 369 L HA 0.015 4.355 4.340 0.001 0.000 0.207 369 L C 1.529 178.542 176.870 0.239 0.000 1.078 369 L CA 0.208 55.037 54.840 -0.019 0.000 0.749 369 L CB -0.643 41.194 42.059 -0.369 0.000 0.901 369 L HN 0.078 nan 8.230 nan 0.000 0.433 370 S N -0.126 115.798 115.700 0.373 0.000 2.558 370 S HA 0.196 4.667 4.470 0.001 0.000 0.293 370 S C -0.208 174.501 174.600 0.182 0.000 1.292 370 S CA -0.002 58.405 58.200 0.345 0.000 1.063 370 S CB 1.305 64.620 63.200 0.192 0.000 0.831 370 S HN 0.124 nan 8.310 nan 0.000 0.499 371 V N 2.618 122.612 119.914 0.134 0.000 2.969 371 V HA 0.723 4.844 4.120 0.001 0.000 0.304 371 V C -0.955 175.159 176.094 0.033 0.000 1.192 371 V CA -0.460 61.889 62.300 0.082 0.000 0.962 371 V CB 2.545 34.428 31.823 0.101 0.000 1.045 371 V HN 0.808 nan 8.190 nan 0.000 0.428 372 S N 5.409 121.121 115.700 0.020 0.000 2.532 372 S HA 0.574 5.044 4.470 0.001 0.000 0.299 372 S C 0.604 175.209 174.600 0.008 0.000 1.105 372 S CA -0.697 57.504 58.200 0.003 0.000 1.018 372 S CB 1.987 65.183 63.200 -0.007 0.000 1.021 372 S HN 0.809 nan 8.310 nan 0.000 0.483 373 R N 2.629 123.132 120.500 0.005 0.000 2.073 373 R HA -0.007 4.334 4.340 0.001 0.000 0.229 373 R C 1.812 178.113 176.300 0.003 0.000 1.120 373 R CA 1.324 57.428 56.100 0.007 0.000 0.967 373 R CB -0.577 29.727 30.300 0.007 0.000 0.862 373 R HN 0.592 nan 8.270 nan 0.000 0.436 374 V N 0.431 120.343 119.914 -0.003 0.000 2.358 374 V HA -0.140 3.981 4.120 0.001 0.000 0.246 374 V C 2.169 178.260 176.094 -0.005 0.000 1.047 374 V CA 1.706 64.002 62.300 -0.006 0.000 1.035 374 V CB -1.186 30.630 31.823 -0.012 0.000 0.658 374 V HN 0.627 nan 8.190 nan 0.000 0.452 375 G N 0.347 109.144 108.800 -0.006 0.000 2.767 375 G HA2 -0.547 3.414 3.960 0.001 0.000 0.360 375 G HA3 -0.547 3.414 3.960 0.001 0.000 0.360 375 G C 1.611 176.510 174.900 -0.003 0.000 1.050 375 G CA 2.091 47.190 45.100 -0.003 0.000 0.914 375 G HN 0.552 nan 8.290 nan 0.000 0.805 376 S N 0.675 116.376 115.700 0.002 0.000 2.365 376 S HA -0.006 4.465 4.470 0.001 0.000 0.225 376 S C 2.670 177.270 174.600 -0.001 0.000 1.039 376 S CA 2.220 60.422 58.200 0.003 0.000 1.033 376 S CB -0.644 62.559 63.200 0.006 0.000 0.887 376 S HN 1.620 nan 8.310 nan 0.000 0.447 377 A N 0.001 122.820 122.820 -0.002 0.000 2.209 377 A HA 0.490 4.810 4.320 0.001 0.000 0.212 377 A C 2.052 179.629 177.584 -0.012 0.000 1.158 377 A CA 1.285 53.319 52.037 -0.005 0.000 0.742 377 A CB -0.630 18.368 19.000 -0.003 0.000 0.790 377 A HN 0.674 nan 8.150 nan 0.000 0.472 378 A N -0.280 122.531 122.820 -0.015 0.000 2.014 378 A HA 0.160 4.481 4.320 0.001 0.000 0.210 378 A C 1.248 178.815 177.584 -0.030 0.000 1.188 378 A CA 0.442 52.463 52.037 -0.027 0.000 0.731 378 A CB -0.231 18.751 19.000 -0.029 0.000 0.858 378 A HN 0.704 nan 8.150 nan 0.000 0.464 379 Q N 0.964 120.753 119.800 -0.018 0.000 2.299 379 Q HA 0.430 4.771 4.340 0.001 0.000 0.246 379 Q C 0.010 176.004 176.000 -0.009 0.000 0.935 379 Q CA -0.089 55.706 55.803 -0.014 0.000 0.887 379 Q CB 0.100 28.836 28.738 -0.004 0.000 1.223 379 Q HN 0.306 nan 8.270 nan 0.000 0.439 380 T N -1.054 113.495 114.554 -0.007 0.000 2.855 380 T HA 0.043 4.393 4.350 0.001 0.000 0.314 380 T C 0.930 175.633 174.700 0.004 0.000 1.077 380 T CA -0.330 61.768 62.100 -0.003 0.000 1.095 380 T CB 0.911 69.779 68.868 0.000 0.000 0.987 380 T HN 0.818 nan 8.240 nan 0.000 0.546 381 R N 0.908 121.411 120.500 0.005 0.000 2.193 381 R HA -0.047 4.294 4.340 0.001 0.000 0.229 381 R C 2.470 178.780 176.300 0.017 0.000 1.110 381 R CA 1.112 57.218 56.100 0.010 0.000 0.988 381 R CB -0.811 29.494 30.300 0.008 0.000 0.871 381 R HN 0.865 nan 8.270 nan 0.000 0.458 382 A N 0.492 123.320 122.820 0.014 0.000 1.873 382 A HA -0.192 4.129 4.320 0.001 0.000 0.215 382 A C 2.020 179.627 177.584 0.037 0.000 1.186 382 A CA 1.274 53.322 52.037 0.019 0.000 0.616 382 A CB -0.362 18.640 19.000 0.004 0.000 0.823 382 A HN 0.325 nan 8.150 nan 0.000 0.442 383 M N 0.017 119.635 119.600 0.030 0.000 2.132 383 M HA -0.069 4.412 4.480 0.001 0.000 0.263 383 M C 1.822 178.145 176.300 0.038 0.000 1.065 383 M CA 1.792 57.114 55.300 0.036 0.000 1.122 383 M CB -0.388 32.226 32.600 0.023 0.000 1.365 383 M HN 0.353 nan 8.290 nan 0.000 0.411 384 K N -0.518 119.899 120.400 0.028 0.000 2.127 384 K HA -0.285 4.036 4.320 0.001 0.000 0.208 384 K C 2.102 178.723 176.600 0.036 0.000 1.047 384 K CA 2.019 58.322 56.287 0.026 0.000 0.927 384 K CB -0.378 32.134 32.500 0.020 0.000 0.716 384 K HN 0.538 nan 8.250 nan 0.000 0.450 385 Q N 0.242 120.073 119.800 0.052 0.000 2.364 385 Q HA -0.112 4.229 4.340 0.001 0.000 0.209 385 Q C 1.365 177.414 176.000 0.083 0.000 0.977 385 Q CA 1.175 57.022 55.803 0.073 0.000 0.885 385 Q CB 0.408 29.205 28.738 0.098 0.000 0.941 385 Q HN 0.344 nan 8.270 nan 0.000 0.464 386 V N -6.339 113.620 119.914 0.074 0.000 3.411 386 V HA 0.443 4.564 4.120 0.001 0.000 0.287 386 V C 1.279 177.388 176.094 0.026 0.000 1.543 386 V CA 0.394 62.727 62.300 0.055 0.000 1.028 386 V CB 0.119 32.008 31.823 0.110 0.000 0.840 386 V HN 0.131 nan 8.190 nan 0.000 0.435 387 A N 2.023 124.860 122.820 0.028 0.000 1.861 387 A HA 0.299 4.619 4.320 0.001 0.000 0.212 387 A C 2.230 179.821 177.584 0.011 0.000 1.199 387 A CA 1.689 53.737 52.037 0.018 0.000 0.613 387 A CB -1.302 17.709 19.000 0.020 0.000 0.846 387 A HN 0.708 nan 8.150 nan 0.000 0.446 388 G N -0.703 108.103 108.800 0.012 0.000 2.450 388 G HA2 -0.153 3.808 3.960 0.001 0.000 0.220 388 G HA3 -0.153 3.808 3.960 0.001 0.000 0.220 388 G C 1.501 176.403 174.900 0.002 0.000 1.130 388 G CA 1.753 46.858 45.100 0.009 0.000 0.760 388 G HN 0.448 nan 8.290 nan 0.000 0.557 389 T N 0.699 115.250 114.554 -0.005 0.000 2.746 389 T HA -0.096 4.255 4.350 0.001 0.000 0.267 389 T C 2.274 176.961 174.700 -0.021 0.000 1.039 389 T CA 1.280 63.368 62.100 -0.019 0.000 1.142 389 T CB -0.165 68.681 68.868 -0.038 0.000 0.866 389 T HN 0.237 nan 8.240 nan 0.000 0.444 390 M N 0.724 120.313 119.600 -0.018 0.000 2.254 390 M HA -0.013 4.468 4.480 0.001 0.000 0.265 390 M C 2.376 178.675 176.300 -0.002 0.000 1.066 390 M CA 1.375 56.664 55.300 -0.018 0.000 1.123 390 M CB -0.119 32.472 32.600 -0.015 0.000 1.388 390 M HN 0.089 nan 8.290 nan 0.000 0.425 391 K N 0.316 120.720 120.400 0.007 0.000 2.057 391 K HA -0.213 4.108 4.320 0.001 0.000 0.207 391 K C 1.850 178.463 176.600 0.022 0.000 1.049 391 K CA 1.371 57.669 56.287 0.018 0.000 0.931 391 K CB -0.193 32.317 32.500 0.018 0.000 0.714 391 K HN 0.324 nan 8.250 nan 0.000 0.440 392 L N 1.531 122.762 121.223 0.014 0.000 2.072 392 L HA -0.089 4.251 4.340 0.001 0.000 0.205 392 L C 1.874 178.758 176.870 0.024 0.000 1.079 392 L CA 1.642 56.492 54.840 0.017 0.000 0.752 392 L CB -0.093 41.970 42.059 0.007 0.000 0.906 392 L HN 0.191 nan 8.230 nan 0.000 0.436 393 E N -0.756 119.453 120.200 0.014 0.000 2.107 393 E HA -0.152 4.199 4.350 0.001 0.000 0.191 393 E C 2.218 178.853 176.600 0.059 0.000 0.982 393 E CA 1.108 57.519 56.400 0.019 0.000 0.809 393 E CB -0.111 29.577 29.700 -0.020 0.000 0.756 393 E HN 0.455 nan 8.360 nan 0.000 0.459 394 L N 0.338 121.594 121.223 0.054 0.000 2.217 394 L HA -0.074 4.267 4.340 0.001 0.000 0.211 394 L C 2.421 179.385 176.870 0.157 0.000 1.107 394 L CA 0.554 55.464 54.840 0.116 0.000 0.783 394 L CB -0.287 41.814 42.059 0.070 0.000 0.919 394 L HN 0.154 nan 8.230 nan 0.000 0.442 395 A N -0.146 122.730 122.820 0.092 0.000 1.877 395 A HA -0.239 4.082 4.320 0.001 0.000 0.216 395 A C 2.183 179.810 177.584 0.072 0.000 1.186 395 A CA 1.439 53.518 52.037 0.070 0.000 0.620 395 A CB -0.400 18.627 19.000 0.046 0.000 0.822 395 A HN 0.451 nan 8.150 nan 0.000 0.443 396 Q N -2.266 117.582 119.800 0.080 0.000 2.297 396 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 396 Q C 1.816 177.883 176.000 0.112 0.000 0.962 396 Q CA 1.363 57.212 55.803 0.077 0.000 0.879 396 Q CB -0.238 28.538 28.738 0.064 0.000 0.947 396 Q HN 0.871 nan 8.270 nan 0.000 0.462 397 Y N 0.983 121.293 120.300 0.016 0.000 2.206 397 Y HA -0.057 4.494 4.550 0.001 0.000 0.292 397 Y C 1.919 177.830 175.900 0.019 0.000 1.123 397 Y CA 1.247 59.358 58.100 0.017 0.000 1.142 397 Y CB 0.119 38.583 38.460 0.005 0.000 1.006 397 Y HN -0.180 nan 8.280 nan 0.000 0.518 398 R N 0.418 120.854 120.500 -0.108 0.000 2.189 398 R HA -0.117 4.224 4.340 0.001 0.000 0.223 398 R C 2.036 178.236 176.300 -0.167 0.000 1.092 398 R CA 1.432 57.408 56.100 -0.207 0.000 0.989 398 R CB -0.155 30.125 30.300 -0.033 0.000 0.876 398 R HN 0.535 nan 8.270 nan 0.000 0.457 399 E N -0.189 119.967 120.200 -0.074 0.000 2.204 399 E HA -0.108 4.243 4.350 0.001 0.000 0.194 399 E C 1.256 177.877 176.600 0.035 0.000 0.989 399 E CA 1.102 57.495 56.400 -0.012 0.000 0.824 399 E CB 0.365 30.082 29.700 0.030 0.000 0.756 399 E HN 0.148 nan 8.360 nan 0.000 0.477 400 V N -0.014 119.895 119.914 -0.008 0.000 3.605 400 V HA 0.159 4.279 4.120 0.001 0.000 0.284 400 V C 1.885 177.911 176.094 -0.113 0.000 1.386 400 V CA 0.656 63.045 62.300 0.148 0.000 1.053 400 V CB 0.503 32.429 31.823 0.170 0.000 0.857 400 V HN 0.167 nan 8.190 nan 0.000 0.436 401 A N 1.214 123.791 122.820 -0.405 0.000 1.997 401 A HA -0.219 4.102 4.320 0.001 0.000 0.221 401 A C 2.309 179.651 177.584 -0.403 0.000 1.172 401 A CA 2.273 53.973 52.037 -0.562 0.000 0.645 401 A CB -0.461 18.123 19.000 -0.693 0.000 0.813 401 A HN 0.651 nan 8.150 nan 0.000 0.454 402 A N -1.449 120.996 122.820 -0.625 0.000 2.119 402 A HA 0.215 4.536 4.320 0.001 0.000 0.217 402 A C 1.029 178.285 177.584 -0.546 0.000 1.153 402 A CA 0.864 52.484 52.037 -0.695 0.000 0.692 402 A CB -0.504 17.917 19.000 -0.964 0.000 0.799 402 A HN 0.535 nan 8.150 nan 0.000 0.458 403 F N -1.199 118.806 119.950 0.090 0.000 2.850 403 F HA 0.508 5.036 4.527 0.001 0.000 0.306 403 F C 1.713 177.579 175.800 0.110 0.000 1.162 403 F CA -0.289 57.816 58.000 0.174 0.000 1.327 403 F CB -0.440 38.619 39.000 0.098 0.000 0.953 403 F HN 0.142 nan 8.300 nan 0.000 0.507 404 A N -0.304 122.591 122.820 0.126 0.000 2.067 404 A HA -0.105 4.216 4.320 0.001 0.000 0.219 404 A C 1.969 179.552 177.584 -0.003 0.000 1.158 404 A CA 1.477 53.554 52.037 0.066 0.000 0.661 404 A CB -0.186 18.838 19.000 0.040 0.000 0.801 404 A HN 0.523 nan 8.150 nan 0.000 0.452 405 Q N -2.331 117.402 119.800 -0.111 0.000 2.422 405 Q HA 0.240 4.581 4.340 0.001 0.000 0.255 405 Q C -0.100 175.694 176.000 -0.344 0.000 0.864 405 Q CA 0.015 55.617 55.803 -0.335 0.000 0.968 405 Q CB 0.378 28.737 28.738 -0.630 0.000 1.130 405 Q HN 0.653 nan 8.270 nan 0.000 0.556 406 F N 0.499 120.502 119.950 0.089 0.000 2.949 406 F HA 0.379 4.907 4.527 0.001 0.000 0.291 406 F C 0.836 176.694 175.800 0.096 0.000 1.214 406 F CA -0.276 57.781 58.000 0.095 0.000 1.381 406 F CB 0.663 39.738 39.000 0.126 0.000 1.066 406 F HN -0.045 nan 8.300 nan 0.000 0.520 407 G N -0.841 108.055 108.800 0.160 0.000 4.729 407 G HA2 0.152 4.113 3.960 0.001 0.000 0.258 407 G HA3 0.152 4.113 3.960 0.001 0.000 0.258 407 G C 0.608 175.541 174.900 0.056 0.000 1.188 407 G CA -0.258 44.910 45.100 0.112 0.000 0.866 407 G HN 0.206 nan 8.290 nan 0.000 0.562 408 S N 0.257 115.983 115.700 0.044 0.000 2.383 408 S HA -0.049 4.422 4.470 0.001 0.000 0.227 408 S C 1.285 175.895 174.600 0.017 0.000 1.026 408 S CA 0.779 58.993 58.200 0.023 0.000 0.981 408 S CB 0.148 63.360 63.200 0.020 0.000 0.818 408 S HN 0.423 nan 8.310 nan 0.000 0.472 409 D N 0.916 121.327 120.400 0.017 0.000 2.491 409 D HA 0.272 4.912 4.640 0.001 0.000 0.228 409 D C -0.172 176.126 176.300 -0.003 0.000 1.183 409 D CA 0.007 54.010 54.000 0.005 0.000 0.827 409 D CB 0.153 40.955 40.800 0.003 0.000 0.989 409 D HN 0.306 nan 8.370 nan 0.000 0.494 410 L N 1.694 122.918 121.223 0.002 0.000 2.418 410 L HA 0.087 4.427 4.340 0.001 0.000 0.265 410 L C 0.945 177.813 176.870 -0.003 0.000 1.143 410 L CA -0.726 54.111 54.840 -0.005 0.000 0.809 410 L CB 0.756 42.821 42.059 0.009 0.000 1.124 410 L HN 0.030 nan 8.230 nan 0.000 0.456 411 D N 1.480 121.875 120.400 -0.008 0.000 2.368 411 D HA -0.005 4.636 4.640 0.001 0.000 0.240 411 D C 0.685 176.986 176.300 0.002 0.000 1.169 411 D CA -0.151 53.846 54.000 -0.005 0.000 0.906 411 D CB 1.186 41.981 40.800 -0.009 0.000 1.187 411 D HN 0.575 nan 8.370 nan 0.000 0.435 412 A N 1.125 123.945 122.820 -0.000 0.000 2.172 412 A HA 0.094 4.415 4.320 0.001 0.000 0.216 412 A C 2.031 179.617 177.584 0.003 0.000 1.154 412 A CA 1.571 53.609 52.037 0.001 0.000 0.701 412 A CB -0.629 18.369 19.000 -0.003 0.000 0.789 412 A HN 0.695 nan 8.150 nan 0.000 0.465 413 A N 0.024 122.845 122.820 0.003 0.000 1.832 413 A HA -0.055 4.266 4.320 0.001 0.000 0.214 413 A C 2.432 180.026 177.584 0.017 0.000 1.204 413 A CA 2.244 54.284 52.037 0.005 0.000 0.606 413 A CB -1.408 17.593 19.000 0.002 0.000 0.849 413 A HN 0.723 nan 8.150 nan 0.000 0.445 414 T N -2.274 112.293 114.554 0.023 0.000 2.962 414 T HA -0.160 4.191 4.350 0.001 0.000 0.270 414 T C 1.839 176.573 174.700 0.058 0.000 1.088 414 T CA 1.547 63.673 62.100 0.043 0.000 1.127 414 T CB -0.289 68.603 68.868 0.041 0.000 0.883 414 T HN 0.526 nan 8.240 nan 0.000 0.493 415 Q N 0.293 120.118 119.800 0.041 0.000 2.230 415 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 415 Q C 2.447 178.468 176.000 0.035 0.000 0.963 415 Q CA 1.193 57.021 55.803 0.041 0.000 0.866 415 Q CB -0.073 28.680 28.738 0.025 0.000 0.931 415 Q HN 0.623 nan 8.270 nan 0.000 0.452 416 Q N 0.321 120.135 119.800 0.023 0.000 2.096 416 Q HA -0.071 4.270 4.340 0.001 0.000 0.197 416 Q C 1.667 177.681 176.000 0.022 0.000 0.964 416 Q CA 1.308 57.116 55.803 0.008 0.000 0.838 416 Q CB -0.213 28.520 28.738 -0.008 0.000 0.906 416 Q HN 0.444 nan 8.270 nan 0.000 0.444 417 L N -0.103 121.149 121.223 0.048 0.000 2.275 417 L HA -0.082 4.259 4.340 0.001 0.000 0.215 417 L C 2.090 179.064 176.870 0.173 0.000 1.119 417 L CA 0.555 55.444 54.840 0.082 0.000 0.790 417 L CB -0.239 41.871 42.059 0.084 0.000 0.919 417 L HN 0.267 nan 8.230 nan 0.000 0.443 418 L N -1.682 119.647 121.223 0.178 0.000 2.127 418 L HA -0.082 4.258 4.340 0.001 0.000 0.203 418 L C 2.628 179.595 176.870 0.162 0.000 1.080 418 L CA 0.722 55.733 54.840 0.286 0.000 0.768 418 L CB -0.255 41.923 42.059 0.198 0.000 0.924 418 L HN 0.067 nan 8.230 nan 0.000 0.444 419 S N -0.570 115.167 115.700 0.062 0.000 2.402 419 S HA -0.169 4.302 4.470 0.001 0.000 0.229 419 S C 2.017 176.577 174.600 -0.066 0.000 1.021 419 S CA 1.016 59.213 58.200 -0.005 0.000 0.974 419 S CB -0.120 63.073 63.200 -0.012 0.000 0.800 419 S HN 0.228 nan 8.310 nan 0.000 0.484 420 R N 1.553 122.014 120.500 -0.064 0.000 2.066 420 R HA 0.015 4.356 4.340 0.001 0.000 0.232 420 R C 2.219 178.395 176.300 -0.206 0.000 1.131 420 R CA 1.906 57.940 56.100 -0.110 0.000 0.955 420 R CB -1.260 28.996 30.300 -0.074 0.000 0.851 420 R HN 0.335 nan 8.270 nan 0.000 0.432 421 G N 0.008 108.617 108.800 -0.318 0.000 2.414 421 G HA2 -0.201 3.760 3.960 0.001 0.000 0.215 421 G HA3 -0.201 3.760 3.960 0.001 0.000 0.215 421 G C 1.477 175.808 174.900 -0.947 0.000 1.188 421 G CA 1.261 45.849 45.100 -0.853 0.000 0.783 421 G HN 0.329 nan 8.290 nan 0.000 0.537 422 V N -0.656 118.833 119.914 -0.709 0.000 2.469 422 V HA -0.143 3.977 4.120 0.001 0.000 0.251 422 V C 2.575 178.541 176.094 -0.214 0.000 1.064 422 V CA 2.234 64.334 62.300 -0.333 0.000 1.066 422 V CB -0.674 31.102 31.823 -0.078 0.000 0.667 422 V HN 0.324 nan 8.190 nan 0.000 0.461 423 R N -0.043 120.340 120.500 -0.196 0.000 2.093 423 R HA 0.248 4.589 4.340 0.001 0.000 0.224 423 R C 2.379 178.603 176.300 -0.126 0.000 1.101 423 R CA 1.339 57.359 56.100 -0.132 0.000 0.979 423 R CB -0.384 29.844 30.300 -0.120 0.000 0.877 423 R HN 0.465 nan 8.270 nan 0.000 0.441 424 L N 0.053 121.176 121.223 -0.166 0.000 2.093 424 L HA -0.136 4.204 4.340 0.001 0.000 0.208 424 L C 2.145 178.948 176.870 -0.112 0.000 1.085 424 L CA 1.323 56.086 54.840 -0.129 0.000 0.755 424 L CB -0.654 41.320 42.059 -0.142 0.000 0.904 424 L HN 0.220 nan 8.230 nan 0.000 0.435 425 T N -1.111 113.348 114.554 -0.159 0.000 2.788 425 T HA -0.149 4.202 4.350 0.001 0.000 0.268 425 T C 1.741 176.405 174.700 -0.060 0.000 1.044 425 T CA 1.043 63.081 62.100 -0.102 0.000 1.139 425 T CB -0.139 68.662 68.868 -0.111 0.000 0.867 425 T HN 0.290 nan 8.240 nan 0.000 0.454 426 E N 1.063 121.226 120.200 -0.062 0.000 2.150 426 E HA 0.031 4.382 4.350 0.001 0.000 0.193 426 E C 2.265 178.854 176.600 -0.018 0.000 0.985 426 E CA 0.595 56.975 56.400 -0.033 0.000 0.814 426 E CB -0.323 29.361 29.700 -0.026 0.000 0.752 426 E HN 0.484 nan 8.360 nan 0.000 0.466 427 L N 0.251 121.462 121.223 -0.020 0.000 2.109 427 L HA -0.105 4.235 4.340 0.001 0.000 0.207 427 L C 2.399 179.268 176.870 -0.001 0.000 1.086 427 L CA 0.632 55.474 54.840 0.004 0.000 0.760 427 L CB -0.270 41.794 42.059 0.008 0.000 0.910 427 L HN 0.078 nan 8.230 nan 0.000 0.437 428 L N -0.718 120.496 121.223 -0.015 0.000 2.395 428 L HA -0.056 4.284 4.340 0.001 0.000 0.218 428 L C 1.096 177.953 176.870 -0.022 0.000 1.130 428 L CA 0.306 55.138 54.840 -0.015 0.000 0.826 428 L CB -0.367 41.684 42.059 -0.015 0.000 0.941 428 L HN 0.116 nan 8.230 nan 0.000 0.451 429 K N 1.071 121.454 120.400 -0.028 0.000 2.440 429 K HA 0.071 4.392 4.320 0.001 0.000 0.270 429 K C -0.048 176.527 176.600 -0.042 0.000 0.980 429 K CA 0.719 56.981 56.287 -0.042 0.000 0.953 429 K CB 0.417 32.892 32.500 -0.041 0.000 0.925 429 K HN 0.044 nan 8.250 nan 0.000 0.497 430 Q N -0.148 119.614 119.800 -0.062 0.000 2.479 430 Q HA 0.303 4.643 4.340 0.001 0.000 0.276 430 Q C -1.126 174.820 176.000 -0.090 0.000 0.989 430 Q CA -0.597 55.169 55.803 -0.062 0.000 0.864 430 Q CB 1.772 30.477 28.738 -0.056 0.000 1.444 430 Q HN 0.784 nan 8.270 nan 0.000 0.388 431 G N 1.473 110.225 108.800 -0.080 0.000 2.504 431 G HA2 0.310 4.271 3.960 0.001 0.000 0.288 431 G HA3 0.310 4.271 3.960 0.001 0.000 0.288 431 G C -0.485 174.321 174.900 -0.156 0.000 1.182 431 G CA -0.197 44.840 45.100 -0.104 0.000 0.894 431 G HN 0.583 nan 8.290 nan 0.000 0.521 432 Q N -1.183 118.452 119.800 -0.275 0.000 2.584 432 Q HA 0.183 4.524 4.340 0.001 0.000 0.218 432 Q C -0.094 175.672 176.000 -0.390 0.000 1.079 432 Q CA 0.044 55.518 55.803 -0.548 0.000 1.008 432 Q CB 0.302 28.337 28.738 -1.171 0.000 1.267 432 Q HN 0.604 nan 8.270 nan 0.000 0.586 433 Y N -2.215 118.074 120.300 -0.018 0.000 4.879 433 Y HA -0.286 4.265 4.550 0.001 0.000 0.235 433 Y C 0.286 176.175 175.900 -0.018 0.000 0.988 433 Y CA 0.846 58.934 58.100 -0.019 0.000 1.960 433 Y CB -2.475 35.972 38.460 -0.021 0.000 1.534 433 Y HN 0.442 nan 8.280 nan 0.000 0.550 434 S N -0.258 115.474 115.700 0.054 0.000 2.080 434 S HA 0.555 5.026 4.470 0.001 0.000 0.162 434 S C -2.269 172.332 174.600 0.002 0.000 1.618 434 S CA -1.215 57.003 58.200 0.029 0.000 1.200 434 S CB 1.579 64.789 63.200 0.017 0.000 1.135 434 S HN 0.108 nan 8.310 nan 0.000 0.455 435 P HA 0.330 nan 4.420 nan 0.000 0.274 435 P C -0.680 176.616 177.300 -0.007 0.000 1.231 435 P CA -0.380 62.724 63.100 0.006 0.000 0.790 435 P CB 0.655 32.373 31.700 0.029 0.000 0.951 436 M N 1.293 120.888 119.600 -0.008 0.000 2.364 436 M HA 0.500 4.981 4.480 0.001 0.000 0.334 436 M C 0.384 176.673 176.300 -0.017 0.000 1.107 436 M CA -0.887 54.398 55.300 -0.024 0.000 0.988 436 M CB 2.189 34.773 32.600 -0.025 0.000 1.673 436 M HN 0.343 nan 8.290 nan 0.000 0.441 437 A N 1.763 124.551 122.820 -0.053 0.000 2.466 437 A HA 0.134 4.455 4.320 0.001 0.000 0.238 437 A C 1.008 178.583 177.584 -0.016 0.000 1.074 437 A CA -0.282 51.720 52.037 -0.059 0.000 0.774 437 A CB 0.081 19.003 19.000 -0.130 0.000 1.015 437 A HN 0.964 nan 8.150 nan 0.000 0.498 438 I N 0.483 121.068 120.570 0.025 0.000 2.335 438 I HA -0.225 3.946 4.170 0.001 0.000 0.251 438 I C 2.376 178.491 176.117 -0.002 0.000 1.129 438 I CA 2.436 63.754 61.300 0.029 0.000 1.402 438 I CB -0.273 37.762 38.000 0.057 0.000 1.069 438 I HN 0.837 nan 8.210 nan 0.000 0.424 439 E N 0.249 120.432 120.200 -0.028 0.000 2.158 439 E HA -0.209 4.142 4.350 0.001 0.000 0.191 439 E C 1.737 178.300 176.600 -0.063 0.000 0.982 439 E CA 1.189 57.560 56.400 -0.047 0.000 0.823 439 E CB -0.671 28.990 29.700 -0.065 0.000 0.766 439 E HN 0.639 nan 8.360 nan 0.000 0.468 440 E N 0.857 121.015 120.200 -0.071 0.000 2.152 440 E HA -0.120 4.231 4.350 0.001 0.000 0.192 440 E C 2.276 178.848 176.600 -0.047 0.000 0.983 440 E CA 0.799 57.146 56.400 -0.087 0.000 0.818 440 E CB 0.001 29.643 29.700 -0.097 0.000 0.758 440 E HN 0.379 nan 8.360 nan 0.000 0.467 441 Q N 0.332 120.120 119.800 -0.020 0.000 2.016 441 Q HA -0.138 4.203 4.340 0.001 0.000 0.200 441 Q C 2.619 178.641 176.000 0.037 0.000 0.978 441 Q CA 1.920 57.728 55.803 0.008 0.000 0.833 441 Q CB -0.168 28.577 28.738 0.013 0.000 0.895 441 Q HN 0.320 nan 8.270 nan 0.000 0.427 442 V N -1.594 118.342 119.914 0.037 0.000 2.490 442 V HA -0.156 3.965 4.120 0.001 0.000 0.250 442 V C 2.151 178.321 176.094 0.126 0.000 1.061 442 V CA 1.624 63.970 62.300 0.076 0.000 1.064 442 V CB -1.277 30.576 31.823 0.051 0.000 0.670 442 V HN 0.266 nan 8.190 nan 0.000 0.461 443 A N 1.637 124.503 122.820 0.076 0.000 1.873 443 A HA -0.074 4.247 4.320 0.001 0.000 0.215 443 A C 2.392 180.152 177.584 0.293 0.000 1.186 443 A CA 2.449 54.565 52.037 0.131 0.000 0.616 443 A CB -0.946 18.044 19.000 -0.016 0.000 0.823 443 A HN 1.100 nan 8.150 nan 0.000 0.442 444 V N -2.371 117.671 119.914 0.213 0.000 2.970 444 V HA -0.037 4.084 4.120 0.001 0.000 0.260 444 V C 2.005 178.214 176.094 0.192 0.000 1.100 444 V CA 1.664 64.117 62.300 0.254 0.000 1.122 444 V CB -0.779 31.133 31.823 0.148 0.000 0.721 444 V HN 0.463 nan 8.190 nan 0.000 0.483 445 I N -1.551 119.115 120.570 0.161 0.000 3.030 445 I HA 0.001 4.172 4.170 0.001 0.000 0.270 445 I C 2.338 178.540 176.117 0.141 0.000 1.211 445 I CA 0.966 62.336 61.300 0.117 0.000 1.479 445 I CB -0.218 37.833 38.000 0.085 0.000 1.105 445 I HN 0.270 nan 8.210 nan 0.000 0.447 446 Y N 1.674 122.029 120.300 0.092 0.000 2.293 446 Y HA -0.158 4.393 4.550 0.001 0.000 0.291 446 Y C 2.505 178.490 175.900 0.142 0.000 1.137 446 Y CA 1.130 59.293 58.100 0.106 0.000 1.202 446 Y CB -0.060 38.474 38.460 0.124 0.000 0.990 446 Y HN 0.122 nan 8.280 nan 0.000 0.537 447 A N -0.537 122.432 122.820 0.247 0.000 1.873 447 A HA -0.058 4.263 4.320 0.001 0.000 0.215 447 A C 2.443 180.053 177.584 0.044 0.000 1.186 447 A CA 1.677 53.826 52.037 0.186 0.000 0.616 447 A CB -1.451 17.607 19.000 0.096 0.000 0.823 447 A HN 0.493 nan 8.150 nan 0.000 0.442 448 G N -1.346 107.448 108.800 -0.011 0.000 2.453 448 G HA2 0.042 4.003 3.960 0.001 0.000 0.215 448 G HA3 0.042 4.003 3.960 0.001 0.000 0.215 448 G C 1.519 176.334 174.900 -0.142 0.000 1.147 448 G CA 0.964 46.014 45.100 -0.083 0.000 0.802 448 G HN 0.373 nan 8.290 nan 0.000 0.535 449 V N 0.743 120.567 119.914 -0.149 0.000 2.453 449 V HA 0.057 4.177 4.120 0.001 0.000 0.247 449 V C 2.108 178.028 176.094 -0.291 0.000 1.048 449 V CA 1.120 63.306 62.300 -0.189 0.000 1.049 449 V CB -0.211 31.518 31.823 -0.156 0.000 0.672 449 V HN 0.195 nan 8.190 nan 0.000 0.457 450 R N 0.051 120.298 120.500 -0.422 0.000 2.391 450 R HA 0.298 4.639 4.340 0.001 0.000 0.249 450 R C 1.536 177.344 176.300 -0.819 0.000 0.957 450 R CA 0.678 56.414 56.100 -0.606 0.000 1.093 450 R CB -0.385 29.493 30.300 -0.703 0.000 1.156 450 R HN 0.634 nan 8.270 nan 0.000 0.526 451 G N 0.610 109.101 108.800 -0.515 0.000 2.205 451 G HA2 -0.352 3.609 3.960 0.001 0.000 0.261 451 G HA3 -0.352 3.609 3.960 0.001 0.000 0.261 451 G C 0.341 175.038 174.900 -0.338 0.000 0.980 451 G CA 0.180 45.037 45.100 -0.405 0.000 0.632 451 G HN 0.405 nan 8.290 nan 0.000 0.533 452 Y N 0.256 120.478 120.300 -0.130 0.000 2.621 452 Y HA 0.477 5.027 4.550 0.001 0.000 0.330 452 Y C 2.154 177.928 175.900 -0.210 0.000 1.219 452 Y CA 0.747 58.763 58.100 -0.140 0.000 1.286 452 Y CB -0.154 38.235 38.460 -0.118 0.000 1.053 452 Y HN 0.368 nan 8.280 nan 0.000 0.498 453 L N -1.307 119.846 121.223 -0.117 0.000 3.217 453 L HA 0.174 4.514 4.340 0.001 0.000 0.288 453 L C 0.554 177.335 176.870 -0.148 0.000 1.202 453 L CA 0.046 54.769 54.840 -0.195 0.000 1.027 453 L CB 0.474 42.398 42.059 -0.225 0.000 1.427 453 L HN -0.078 nan 8.230 nan 0.000 0.600 454 D N 0.815 121.142 120.400 -0.121 0.000 2.378 454 D HA -0.096 4.545 4.640 0.001 0.000 0.222 454 D C 1.637 177.893 176.300 -0.074 0.000 0.980 454 D CA 1.045 54.987 54.000 -0.098 0.000 0.907 454 D CB 0.236 40.977 40.800 -0.098 0.000 0.899 454 D HN 0.201 nan 8.370 nan 0.000 0.527 455 K N -0.574 119.782 120.400 -0.074 0.000 2.360 455 K HA 0.144 4.464 4.320 0.001 0.000 0.196 455 K C 0.130 176.698 176.600 -0.052 0.000 1.049 455 K CA -0.438 55.818 56.287 -0.053 0.000 1.049 455 K CB 0.838 33.314 32.500 -0.039 0.000 0.881 455 K HN 0.017 nan 8.250 nan 0.000 0.542 456 L N 2.301 123.475 121.223 -0.081 0.000 2.380 456 L HA 0.109 4.450 4.340 0.001 0.000 0.273 456 L C -0.007 176.841 176.870 -0.038 0.000 1.138 456 L CA 0.089 54.889 54.840 -0.067 0.000 0.832 456 L CB 0.761 42.728 42.059 -0.152 0.000 1.124 456 L HN 0.014 nan 8.230 nan 0.000 0.454 457 E N 6.286 126.485 120.200 -0.001 0.000 2.366 457 E HA 0.045 4.396 4.350 0.001 0.000 0.266 457 E C -1.683 174.923 176.600 0.009 0.000 1.015 457 E CA -1.368 55.034 56.400 0.004 0.000 0.906 457 E CB 1.043 30.752 29.700 0.015 0.000 0.979 457 E HN 0.533 nan 8.360 nan 0.000 0.443 458 P HA -0.292 nan 4.420 nan 0.000 0.219 458 P C 1.199 178.508 177.300 0.016 0.000 1.158 458 P CA 2.008 65.105 63.100 -0.005 0.000 0.895 458 P CB 0.051 31.748 31.700 -0.005 0.000 0.792 459 S N -1.347 114.369 115.700 0.028 0.000 2.474 459 S HA -0.081 4.389 4.470 0.001 0.000 0.235 459 S C 1.579 176.225 174.600 0.077 0.000 0.997 459 S CA 0.992 59.218 58.200 0.042 0.000 0.949 459 S CB -0.756 62.465 63.200 0.035 0.000 0.766 459 S HN 0.227 nan 8.310 nan 0.000 0.517 460 K N 0.598 121.060 120.400 0.104 0.000 2.426 460 K HA 0.366 4.687 4.320 0.001 0.000 0.193 460 K C 1.479 178.207 176.600 0.214 0.000 1.028 460 K CA 0.172 56.581 56.287 0.204 0.000 1.047 460 K CB -0.186 32.479 32.500 0.274 0.000 0.821 460 K HN 0.391 nan 8.250 nan 0.000 0.513 461 I N 1.157 121.791 120.570 0.106 0.000 2.179 461 I HA -0.303 3.868 4.170 0.001 0.000 0.242 461 I C 2.474 178.672 176.117 0.135 0.000 1.088 461 I CA 1.649 62.996 61.300 0.079 0.000 1.357 461 I CB -0.713 37.300 38.000 0.022 0.000 1.051 461 I HN 0.280 nan 8.210 nan 0.000 0.409 462 T N -1.075 113.543 114.554 0.107 0.000 2.788 462 T HA -0.256 4.095 4.350 0.001 0.000 0.268 462 T C 1.910 176.681 174.700 0.117 0.000 1.044 462 T CA 1.343 63.498 62.100 0.091 0.000 1.139 462 T CB -0.329 68.575 68.868 0.060 0.000 0.867 462 T HN 0.288 nan 8.240 nan 0.000 0.454 463 K N -0.278 120.227 120.400 0.176 0.000 2.103 463 K HA 0.002 4.323 4.320 0.001 0.000 0.204 463 K C 2.055 178.793 176.600 0.229 0.000 1.052 463 K CA 0.938 57.363 56.287 0.230 0.000 0.945 463 K CB -0.311 32.383 32.500 0.322 0.000 0.722 463 K HN 0.421 nan 8.250 nan 0.000 0.443 464 F N 2.343 122.255 119.950 -0.064 0.000 2.075 464 F HA -0.190 4.337 4.527 0.001 0.000 0.297 464 F C 2.278 178.018 175.800 -0.101 0.000 1.113 464 F CA 1.841 59.563 58.000 -0.464 0.000 1.218 464 F CB -0.310 38.195 39.000 -0.825 0.000 0.984 464 F HN 0.120 nan 8.300 nan 0.000 0.472 465 E N 0.204 120.406 120.200 0.004 0.000 2.070 465 E HA -0.350 4.001 4.350 0.001 0.000 0.197 465 E C 1.974 178.522 176.600 -0.088 0.000 1.004 465 E CA 1.797 58.184 56.400 -0.021 0.000 0.805 465 E CB -0.478 29.270 29.700 0.079 0.000 0.744 465 E HN 0.516 nan 8.360 nan 0.000 0.451 466 N N -0.421 118.261 118.700 -0.030 0.000 2.166 466 N HA -0.129 4.612 4.740 0.001 0.000 0.186 466 N C 1.502 176.994 175.510 -0.030 0.000 1.019 466 N CA 1.578 54.618 53.050 -0.018 0.000 0.856 466 N CB -0.098 38.410 38.487 0.035 0.000 0.993 466 N HN 0.246 nan 8.380 nan 0.000 0.426 467 A N -0.718 122.099 122.820 -0.005 0.000 1.903 467 A HA 0.012 4.332 4.320 0.001 0.000 0.213 467 A C 1.975 179.517 177.584 -0.069 0.000 1.185 467 A CA 0.601 52.698 52.037 0.100 0.000 0.628 467 A CB -0.847 18.352 19.000 0.332 0.000 0.830 467 A HN 0.430 nan 8.150 nan 0.000 0.446 468 F N 0.343 119.917 119.950 -0.626 0.000 2.146 468 F HA -0.077 4.450 4.527 0.001 0.000 0.298 468 F C 1.739 177.170 175.800 -0.615 0.000 1.096 468 F CA 1.498 58.839 58.000 -1.099 0.000 1.275 468 F CB -0.355 37.762 39.000 -1.470 0.000 1.008 468 F HN 0.179 nan 8.300 nan 0.000 0.480 469 L N -0.190 120.688 121.223 -0.575 0.000 2.056 469 L HA -0.128 4.213 4.340 0.001 0.000 0.207 469 L C 2.478 179.138 176.870 -0.350 0.000 1.078 469 L CA 1.944 56.485 54.840 -0.498 0.000 0.749 469 L CB -1.064 40.834 42.059 -0.268 0.000 0.901 469 L HN 0.075 nan 8.230 nan 0.000 0.433 470 S N -1.464 114.108 115.700 -0.213 0.000 2.402 470 S HA -0.286 4.185 4.470 0.001 0.000 0.233 470 S C 1.884 176.429 174.600 -0.091 0.000 1.030 470 S CA 1.578 59.714 58.200 -0.107 0.000 1.003 470 S CB -0.554 62.638 63.200 -0.014 0.000 0.813 470 S HN 0.748 nan 8.310 nan 0.000 0.477 471 H N 1.246 120.162 119.070 -0.257 0.000 2.329 471 H HA 0.040 4.597 4.556 0.001 0.000 0.306 471 H C 1.997 177.201 175.328 -0.207 0.000 1.062 471 H CA 1.715 57.650 56.048 -0.189 0.000 1.364 471 H CB -0.436 29.172 29.762 -0.256 0.000 1.409 471 H HN 0.191 nan 8.280 nan 0.000 0.519 472 V N -0.506 119.058 119.914 -0.584 0.000 2.490 472 V HA -0.162 3.959 4.120 0.001 0.000 0.250 472 V C 2.330 178.222 176.094 -0.336 0.000 1.061 472 V CA 1.946 63.927 62.300 -0.533 0.000 1.064 472 V CB -0.903 30.522 31.823 -0.662 0.000 0.670 472 V HN 0.430 nan 8.190 nan 0.000 0.461 473 I N 0.863 121.253 120.570 -0.300 0.000 2.286 473 I HA -0.153 4.018 4.170 0.001 0.000 0.245 473 I C 2.813 178.823 176.117 -0.177 0.000 1.104 473 I CA 1.867 63.043 61.300 -0.207 0.000 1.397 473 I CB -0.434 37.461 38.000 -0.176 0.000 1.072 473 I HN 0.373 nan 8.210 nan 0.000 0.417 474 S N -0.513 115.077 115.700 -0.184 0.000 2.461 474 S HA -0.060 4.411 4.470 0.001 0.000 0.228 474 S C 1.805 176.306 174.600 -0.165 0.000 1.005 474 S CA 1.186 59.305 58.200 -0.134 0.000 0.942 474 S CB 0.102 63.262 63.200 -0.066 0.000 0.776 474 S HN 0.452 nan 8.310 nan 0.000 0.514 475 Q N -1.396 118.243 119.800 -0.269 0.000 2.313 475 Q HA 0.172 4.513 4.340 0.001 0.000 0.263 475 Q C -0.349 175.368 176.000 -0.471 0.000 0.820 475 Q CA 0.187 55.788 55.803 -0.337 0.000 0.974 475 Q CB 0.652 29.167 28.738 -0.372 0.000 1.156 475 Q HN 0.548 nan 8.270 nan 0.000 0.517 476 H N 0.587 119.488 119.070 -0.281 0.000 2.412 476 H HA 0.216 4.773 4.556 0.001 0.000 0.239 476 H C 0.719 175.941 175.328 -0.177 0.000 1.388 476 H CA -0.183 55.745 56.048 -0.201 0.000 1.148 476 H CB 0.645 30.283 29.762 -0.206 0.000 1.637 476 H HN 0.015 nan 8.280 nan 0.000 0.542 477 Q N 0.762 120.503 119.800 -0.098 0.000 2.124 477 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 477 Q C 2.188 178.145 176.000 -0.072 0.000 0.977 477 Q CA 1.214 56.961 55.803 -0.093 0.000 0.850 477 Q CB 0.036 28.715 28.738 -0.097 0.000 0.901 477 Q HN 0.665 nan 8.270 nan 0.000 0.429 478 A N 0.949 123.733 122.820 -0.060 0.000 1.969 478 A HA -0.123 4.197 4.320 0.001 0.000 0.218 478 A C 2.018 179.579 177.584 -0.038 0.000 1.169 478 A CA 0.837 52.846 52.037 -0.046 0.000 0.635 478 A CB -0.525 18.451 19.000 -0.041 0.000 0.810 478 A HN 0.345 nan 8.150 nan 0.000 0.445 479 L N -0.290 120.919 121.223 -0.024 0.000 2.005 479 L HA -0.100 4.240 4.340 0.001 0.000 0.207 479 L C 2.378 179.206 176.870 -0.069 0.000 1.072 479 L CA 1.899 56.717 54.840 -0.036 0.000 0.744 479 L CB -0.883 41.163 42.059 -0.021 0.000 0.895 479 L HN 0.434 nan 8.230 nan 0.000 0.433 480 L N -0.061 121.111 121.223 -0.084 0.000 2.046 480 L HA -0.148 4.193 4.340 0.001 0.000 0.208 480 L C 2.694 179.515 176.870 -0.081 0.000 1.077 480 L CA 1.336 56.116 54.840 -0.099 0.000 0.747 480 L CB -1.217 40.769 42.059 -0.122 0.000 0.896 480 L HN 0.378 nan 8.230 nan 0.000 0.432 481 G N -0.258 108.498 108.800 -0.074 0.000 2.442 481 G HA2 -0.279 3.682 3.960 0.001 0.000 0.219 481 G HA3 -0.279 3.682 3.960 0.001 0.000 0.219 481 G C 1.716 176.585 174.900 -0.052 0.000 1.141 481 G CA 0.751 45.813 45.100 -0.063 0.000 0.763 481 G HN 0.289 nan 8.290 nan 0.000 0.554 482 K N -0.298 120.072 120.400 -0.050 0.000 2.097 482 K HA 0.071 4.392 4.320 0.001 0.000 0.205 482 K C 2.434 179.007 176.600 -0.045 0.000 1.050 482 K CA 0.762 57.023 56.287 -0.043 0.000 0.938 482 K CB -0.181 32.295 32.500 -0.041 0.000 0.718 482 K HN 0.368 nan 8.250 nan 0.000 0.442 483 I N 0.237 120.773 120.570 -0.057 0.000 2.394 483 I HA -0.237 3.934 4.170 0.001 0.000 0.251 483 I C 2.584 178.677 176.117 -0.040 0.000 1.136 483 I CA 0.892 62.158 61.300 -0.056 0.000 1.425 483 I CB -0.173 37.783 38.000 -0.073 0.000 1.079 483 I HN 0.135 nan 8.210 nan 0.000 0.425 484 R N 0.580 121.055 120.500 -0.042 0.000 2.057 484 R HA -0.120 4.221 4.340 0.001 0.000 0.229 484 R C 2.328 178.614 176.300 -0.023 0.000 1.136 484 R CA 1.983 58.064 56.100 -0.031 0.000 0.952 484 R CB -0.259 30.015 30.300 -0.043 0.000 0.848 484 R HN 0.248 nan 8.270 nan 0.000 0.430 485 T N 1.258 115.795 114.554 -0.028 0.000 2.569 485 T HA -0.141 4.210 4.350 0.001 0.000 0.263 485 T C 1.171 175.861 174.700 -0.017 0.000 1.074 485 T CA 1.844 63.931 62.100 -0.022 0.000 1.176 485 T CB -0.494 68.359 68.868 -0.025 0.000 0.863 485 T HN 0.320 nan 8.240 nan 0.000 0.410 486 D N 0.516 120.905 120.400 -0.020 0.000 2.263 486 D HA 0.099 4.740 4.640 0.001 0.000 0.208 486 D C 1.711 178.004 176.300 -0.012 0.000 0.971 486 D CA 1.150 55.140 54.000 -0.016 0.000 0.867 486 D CB -0.716 40.073 40.800 -0.019 0.000 0.929 486 D HN 0.575 nan 8.370 nan 0.000 0.492 487 G N 0.581 109.373 108.800 -0.013 0.000 2.155 487 G HA2 -0.335 3.626 3.960 0.001 0.000 0.257 487 G HA3 -0.335 3.626 3.960 0.001 0.000 0.257 487 G C 0.173 175.069 174.900 -0.007 0.000 0.983 487 G CA 0.923 46.018 45.100 -0.008 0.000 0.676 487 G HN 0.587 nan 8.290 nan 0.000 0.528 488 K N -1.336 119.057 120.400 -0.012 0.000 2.575 488 K HA 0.686 5.007 4.320 0.001 0.000 0.279 488 K C -0.800 175.786 176.600 -0.024 0.000 0.969 488 K CA -1.418 54.864 56.287 -0.008 0.000 0.868 488 K CB 1.216 33.717 32.500 0.001 0.000 1.457 488 K HN 0.097 nan 8.250 nan 0.000 0.426 489 I N 3.025 123.581 120.570 -0.024 0.000 2.281 489 I HA 0.074 4.244 4.170 0.001 0.000 0.293 489 I C 0.267 176.369 176.117 -0.026 0.000 1.085 489 I CA -0.358 60.906 61.300 -0.060 0.000 1.257 489 I CB 1.015 38.943 38.000 -0.119 0.000 1.430 489 I HN 0.712 nan 8.210 nan 0.000 0.489 490 S N 3.681 119.364 115.700 -0.029 0.000 2.608 490 S HA 0.183 4.653 4.470 0.001 0.000 0.261 490 S C 0.988 175.585 174.600 -0.004 0.000 1.314 490 S CA -0.668 57.526 58.200 -0.010 0.000 0.992 490 S CB 1.165 64.359 63.200 -0.012 0.000 0.935 490 S HN 0.625 nan 8.310 nan 0.000 0.564 491 E N 0.604 120.812 120.200 0.012 0.000 2.160 491 E HA -0.180 4.171 4.350 0.001 0.000 0.195 491 E C 1.919 178.528 176.600 0.014 0.000 0.991 491 E CA 1.278 57.692 56.400 0.024 0.000 0.810 491 E CB -0.087 29.629 29.700 0.027 0.000 0.742 491 E HN 0.709 nan 8.360 nan 0.000 0.466 492 E N 0.326 120.527 120.200 0.002 0.000 2.017 492 E HA -0.143 4.208 4.350 0.001 0.000 0.193 492 E C 2.270 178.860 176.600 -0.018 0.000 0.997 492 E CA 1.195 57.593 56.400 -0.003 0.000 0.804 492 E CB -0.016 29.681 29.700 -0.005 0.000 0.757 492 E HN 0.073 nan 8.360 nan 0.000 0.448 493 S N 1.105 116.782 115.700 -0.038 0.000 2.382 493 S HA -0.196 4.274 4.470 0.001 0.000 0.228 493 S C 1.635 176.168 174.600 -0.112 0.000 1.027 493 S CA 1.432 59.587 58.200 -0.076 0.000 0.991 493 S CB -0.324 62.818 63.200 -0.096 0.000 0.823 493 S HN 0.313 nan 8.310 nan 0.000 0.469 494 D N 1.894 122.243 120.400 -0.084 0.000 2.104 494 D HA -0.103 4.538 4.640 0.001 0.000 0.194 494 D C 1.918 178.237 176.300 0.032 0.000 0.994 494 D CA 1.549 55.523 54.000 -0.042 0.000 0.830 494 D CB -0.372 40.476 40.800 0.080 0.000 0.959 494 D HN 0.321 nan 8.370 nan 0.000 0.452 495 A N -0.241 122.595 122.820 0.026 0.000 1.929 495 A HA -0.062 4.259 4.320 0.001 0.000 0.216 495 A C 2.163 179.747 177.584 -0.000 0.000 1.176 495 A CA 1.734 53.788 52.037 0.030 0.000 0.628 495 A CB -0.565 18.452 19.000 0.028 0.000 0.816 495 A HN 0.222 nan 8.150 nan 0.000 0.444 496 K N -0.114 120.274 120.400 -0.019 0.000 2.097 496 K HA 0.038 4.359 4.320 0.001 0.000 0.205 496 K C 1.698 178.263 176.600 -0.060 0.000 1.050 496 K CA 1.120 57.390 56.287 -0.029 0.000 0.938 496 K CB -0.394 32.090 32.500 -0.027 0.000 0.718 496 K HN 0.452 nan 8.250 nan 0.000 0.442 497 L N 0.451 121.628 121.223 -0.078 0.000 2.093 497 L HA -0.114 4.226 4.340 0.001 0.000 0.208 497 L C 2.523 179.369 176.870 -0.039 0.000 1.085 497 L CA 1.294 56.097 54.840 -0.062 0.000 0.755 497 L CB -0.352 41.608 42.059 -0.163 0.000 0.904 497 L HN 0.198 nan 8.230 nan 0.000 0.435 498 K N 0.566 120.935 120.400 -0.053 0.000 2.057 498 K HA -0.239 4.081 4.320 0.001 0.000 0.207 498 K C 2.036 178.505 176.600 -0.219 0.000 1.049 498 K CA 1.832 57.982 56.287 -0.228 0.000 0.931 498 K CB 0.006 32.450 32.500 -0.093 0.000 0.714 498 K HN 0.493 nan 8.250 nan 0.000 0.440 499 E N 0.483 120.629 120.200 -0.090 0.000 2.106 499 E HA -0.187 4.164 4.350 0.001 0.000 0.192 499 E C 1.977 178.569 176.600 -0.013 0.000 0.984 499 E CA 1.161 57.535 56.400 -0.043 0.000 0.806 499 E CB -0.317 29.383 29.700 -0.001 0.000 0.750 499 E HN 0.370 nan 8.360 nan 0.000 0.458 500 I N 1.214 121.778 120.570 -0.011 0.000 2.233 500 I HA -0.199 3.972 4.170 0.001 0.000 0.243 500 I C 2.675 178.868 176.117 0.126 0.000 1.093 500 I CA 0.733 62.075 61.300 0.069 0.000 1.380 500 I CB -0.271 37.724 38.000 -0.008 0.000 1.067 500 I HN 0.069 nan 8.210 nan 0.000 0.413 501 V N 1.250 121.154 119.914 -0.017 0.000 2.295 501 V HA -0.290 3.831 4.120 0.001 0.000 0.246 501 V C 2.726 178.770 176.094 -0.083 0.000 1.049 501 V CA 2.890 65.090 62.300 -0.166 0.000 1.024 501 V CB -0.657 30.980 31.823 -0.309 0.000 0.648 501 V HN 0.690 nan 8.190 nan 0.000 0.447 502 T N -1.842 112.617 114.554 -0.159 0.000 2.746 502 T HA -0.212 4.139 4.350 0.001 0.000 0.267 502 T C 1.703 176.410 174.700 0.011 0.000 1.039 502 T CA 1.993 64.037 62.100 -0.093 0.000 1.142 502 T CB -0.682 68.117 68.868 -0.116 0.000 0.866 502 T HN 0.627 nan 8.240 nan 0.000 0.444 503 N N -0.306 118.424 118.700 0.049 0.000 2.395 503 N HA 0.126 4.867 4.740 0.001 0.000 0.175 503 N C 1.467 177.050 175.510 0.122 0.000 1.029 503 N CA 0.466 53.560 53.050 0.075 0.000 0.897 503 N CB -0.106 38.425 38.487 0.072 0.000 0.991 503 N HN 0.322 nan 8.380 nan 0.000 0.441 504 F N 1.991 121.973 119.950 0.053 0.000 2.163 504 F HA -0.030 4.498 4.527 0.002 0.000 0.297 504 F C 2.208 178.136 175.800 0.214 0.000 1.094 504 F CA 0.591 58.653 58.000 0.103 0.000 1.290 504 F CB -0.099 38.980 39.000 0.132 0.000 1.017 504 F HN -0.101 nan 8.300 nan 0.000 0.483 505 L N 0.326 121.775 121.223 0.376 0.000 2.093 505 L HA -0.002 4.339 4.340 0.001 0.000 0.208 505 L C 2.307 179.270 176.870 0.154 0.000 1.085 505 L CA 1.937 56.917 54.840 0.232 0.000 0.755 505 L CB -1.024 41.001 42.059 -0.058 0.000 0.904 505 L HN 0.081 nan 8.230 nan 0.000 0.435 506 A N -0.275 122.597 122.820 0.086 0.000 1.898 506 A HA -0.018 4.302 4.320 0.001 0.000 0.216 506 A C 2.325 179.925 177.584 0.026 0.000 1.181 506 A CA 1.386 53.450 52.037 0.044 0.000 0.620 506 A CB -1.587 17.427 19.000 0.023 0.000 0.819 506 A HN 0.519 nan 8.150 nan 0.000 0.442 507 G N -1.420 107.377 108.800 -0.006 0.000 2.408 507 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 507 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 507 G C 1.433 176.295 174.900 -0.062 0.000 1.150 507 G CA 1.052 46.106 45.100 -0.077 0.000 0.776 507 G HN 0.450 nan 8.290 nan 0.000 0.542 508 F N 1.541 121.396 119.950 -0.159 0.000 2.095 508 F HA -0.066 4.462 4.527 0.002 0.000 0.298 508 F C 2.514 178.298 175.800 -0.028 0.000 1.104 508 F CA 1.987 59.949 58.000 -0.065 0.000 1.232 508 F CB -0.055 39.032 39.000 0.145 0.000 0.987 508 F HN 0.231 nan 8.300 nan 0.000 0.475 509 E N 0.416 120.639 120.200 0.039 0.000 2.511 509 E HA 0.094 4.445 4.350 0.001 0.000 0.196 509 E C 0.913 177.457 176.600 -0.094 0.000 1.066 509 E CA 0.080 56.447 56.400 -0.056 0.000 0.871 509 E CB -0.128 29.591 29.700 0.032 0.000 0.863 509 E HN 0.409 nan 8.360 nan 0.000 0.520 510 A N 0.000 122.763 122.820 -0.095 0.000 2.254 510 A HA 0.000 4.321 4.320 0.001 0.000 0.244 510 A CA 0.000 51.985 52.037 -0.087 0.000 0.836 510 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486