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 2io8_1_B DATA FIRST_RESID 10 DATA SEQUENCE APFGTLLGYA PGGVAIYSSX XXXXXXXXXX XDAVFRSYID DEYMGHKWQC DATA SEQUENCE VEFARRFLFL NYGVVFTDVG MAWEIFSLRF LREVVNDNIL PLQAFPNGSP DATA SEQUENCE RAPVAGALLI WDKGGEFKDT GHVAIITQLH GNKVRIAEQN VIHSPLPQGQ DATA SEQUENCE QWTRELEMVV ENGCYTLKDT FDDTTILGWM IQTEDTEYSL PQPEIAGELL DATA SEQUENCE KISGARLENK GQFDGKWLDE KDPLQNAYVQ ANGQVINQDP YHYYTITESA DATA SEQUENCE EQELIKATNE LHLMYLHATD KVLKDDNLLA LFDIPKILWP RLRLSWQRRR DATA SEQUENCE HHMITGRMDF CMDERGLKVY EYNADSASCH TEAGLILERW AEQGYKGNGF DATA SEQUENCE NPAEGLINEL AGAWKHSRAR PFVHIMQDKD IEENYHAQFM EQALHQAGFE DATA SEQUENCE TRILRGLDEL GWDAAGQLID GEGRLVNCVW KTWAWETAFD QIREVXXXXF DATA SEQUENCE AAVPIRTGHP QNEVRLIDVL LRPEVLVFEP LWTVIPGNKA ILPILWSLFP DATA SEQUENCE HHRYLLDTDF TVNDELVKTG YAVKPIAGRC GSNIDLVSHH EEVLDKTSGK DATA SEQUENCE FAEQKNIYQQ LWCLPKVDGK YIQVCTFTVG GNYGGTCLRG DESLVIKKES DATA SEQUENCE DIEPLIVVK 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.636 177.584 0.086 0.000 1.274 10 A CA 0.000 52.066 52.037 0.049 0.000 0.836 10 A CB 0.000 19.010 19.000 0.016 0.000 0.831 11 P HA 0.355 nan 4.420 nan 0.000 0.291 11 P C -0.252 177.176 177.300 0.213 0.000 1.287 11 P CA -0.221 62.970 63.100 0.151 0.000 0.767 11 P CB 0.182 31.967 31.700 0.141 0.000 1.290 12 F N -0.256 119.779 119.950 0.142 0.000 2.467 12 F HA 0.407 4.937 4.527 0.005 0.000 0.362 12 F C 1.325 177.258 175.800 0.222 0.000 1.090 12 F CA 1.151 59.278 58.000 0.212 0.000 1.202 12 F CB -0.218 38.916 39.000 0.224 0.000 1.113 12 F HN 0.564 nan 8.300 nan 0.000 0.541 13 G N 3.087 111.684 108.800 -0.339 0.000 2.159 13 G HA2 -0.280 3.683 3.960 0.005 0.000 0.256 13 G HA3 -0.280 3.683 3.960 0.005 0.000 0.256 13 G C 0.352 175.192 174.900 -0.101 0.000 0.977 13 G CA 0.320 45.273 45.100 -0.245 0.000 0.652 13 G HN 1.033 nan 8.290 nan 0.000 0.531 14 T N -0.148 114.386 114.554 -0.033 0.000 2.897 14 T HA 0.533 4.887 4.350 0.005 0.000 0.294 14 T C 0.724 175.400 174.700 -0.039 0.000 1.004 14 T CA -0.530 61.571 62.100 0.002 0.000 1.106 14 T CB 1.042 69.916 68.868 0.010 0.000 0.949 14 T HN 0.676 nan 8.240 nan 0.000 0.520 15 L N 5.768 126.962 121.223 -0.048 0.000 2.418 15 L HA 0.244 4.587 4.340 0.005 0.000 0.274 15 L C 0.682 177.377 176.870 -0.291 0.000 1.135 15 L CA -0.290 54.391 54.840 -0.266 0.000 0.870 15 L CB 0.293 42.218 42.059 -0.224 0.000 1.154 15 L HN 0.855 nan 8.230 nan 0.000 0.462 16 L N 4.921 125.901 121.223 -0.404 0.000 2.425 16 L HA 0.410 4.753 4.340 0.005 0.000 0.215 16 L C 0.948 177.618 176.870 -0.334 0.000 1.065 16 L CA 0.408 55.062 54.840 -0.310 0.000 0.842 16 L CB 0.050 41.931 42.059 -0.297 0.000 1.033 16 L HN 0.781 nan 8.230 nan 0.000 0.474 17 G N -1.684 106.813 108.800 -0.504 0.000 2.348 17 G HA2 0.363 4.326 3.960 0.005 0.000 0.296 17 G HA3 0.363 4.326 3.960 0.005 0.000 0.296 17 G C -2.237 172.228 174.900 -0.724 0.000 1.258 17 G CA -0.528 44.309 45.100 -0.439 0.000 0.868 17 G HN -0.191 nan 8.290 nan 0.000 0.488 18 Y N -0.189 120.031 120.300 -0.135 0.000 2.492 18 Y HA 0.725 5.278 4.550 0.005 0.000 0.346 18 Y C 0.625 176.543 175.900 0.031 0.000 0.997 18 Y CA -0.163 57.901 58.100 -0.060 0.000 1.025 18 Y CB 2.262 40.696 38.460 -0.043 0.000 1.263 18 Y HN 0.880 nan 8.280 nan 0.000 0.454 19 A N 3.035 126.040 122.820 0.309 0.000 2.252 19 A HA 0.738 5.061 4.320 0.005 0.000 0.305 19 A C -2.721 175.093 177.584 0.384 0.000 1.097 19 A CA -2.040 50.237 52.037 0.401 0.000 0.849 19 A CB -0.006 19.422 19.000 0.714 0.000 1.142 19 A HN 0.495 nan 8.150 nan 0.000 0.499 20 P HA 0.176 nan 4.420 nan 0.000 0.263 20 P C 0.932 178.301 177.300 0.116 0.000 1.175 20 P CA 2.258 65.517 63.100 0.265 0.000 0.761 20 P CB 0.375 32.266 31.700 0.318 0.000 0.794 21 G N 2.195 111.006 108.800 0.018 0.000 2.176 21 G HA2 -0.092 3.871 3.960 0.005 0.000 0.253 21 G HA3 -0.092 3.871 3.960 0.005 0.000 0.253 21 G C 0.675 175.530 174.900 -0.076 0.000 0.979 21 G CA 0.272 45.318 45.100 -0.090 0.000 0.641 21 G HN 1.112 nan 8.290 nan 0.000 0.530 22 G N -1.923 106.880 108.800 0.005 0.000 2.303 22 G HA2 0.129 4.092 3.960 0.005 0.000 0.260 22 G HA3 0.129 4.092 3.960 0.005 0.000 0.260 22 G C 0.005 174.998 174.900 0.155 0.000 1.106 22 G CA 0.329 45.439 45.100 0.017 0.000 0.900 22 G HN 1.594 nan 8.290 nan 0.000 0.495 23 V N 0.778 120.824 119.914 0.221 0.000 2.347 23 V HA 0.739 4.862 4.120 0.005 0.000 0.280 23 V C 1.023 177.270 176.094 0.255 0.000 1.021 23 V CA -0.359 62.069 62.300 0.213 0.000 0.847 23 V CB 1.174 33.093 31.823 0.161 0.000 0.990 23 V HN 1.269 nan 8.190 nan 0.000 0.444 24 A N 6.495 129.356 122.820 0.068 0.000 2.483 24 A HA 0.588 4.912 4.320 0.005 0.000 0.238 24 A C -0.212 177.061 177.584 -0.519 0.000 1.070 24 A CA 0.126 51.863 52.037 -0.501 0.000 0.770 24 A CB 0.050 18.570 19.000 -0.799 0.000 1.008 24 A HN 0.780 nan 8.150 nan 0.000 0.497 25 I N 1.754 121.827 120.570 -0.828 0.000 2.410 25 I HA 0.322 4.495 4.170 0.005 0.000 0.286 25 I C -1.178 174.404 176.117 -0.893 0.000 1.009 25 I CA -0.197 60.698 61.300 -0.675 0.000 1.111 25 I CB 1.144 38.806 38.000 -0.563 0.000 1.262 25 I HN 0.651 nan 8.210 nan 0.000 0.443 26 Y N 3.267 123.211 120.300 -0.593 0.000 2.457 26 Y HA 0.375 4.927 4.550 0.005 0.000 0.333 26 Y C 0.822 176.404 175.900 -0.531 0.000 1.119 26 Y CA -0.615 57.039 58.100 -0.744 0.000 1.143 26 Y CB 1.734 39.281 38.460 -1.522 0.000 1.230 26 Y HN 0.468 nan 8.280 nan 0.000 0.469 27 S N 1.163 116.714 115.700 -0.249 0.000 2.565 27 S HA 0.419 4.892 4.470 0.005 0.000 0.276 27 S C -0.158 174.406 174.600 -0.060 0.000 1.326 27 S CA -0.268 57.860 58.200 -0.120 0.000 1.045 27 S CB 0.767 63.977 63.200 0.016 0.000 0.918 27 S HN 0.672 nan 8.310 nan 0.000 0.505 42 A N 0.902 123.818 122.820 0.160 0.000 2.337 42 A HA 0.513 4.836 4.320 0.005 0.000 0.227 42 A C 2.207 179.881 177.584 0.150 0.000 1.259 42 A CA 1.527 53.694 52.037 0.216 0.000 0.870 42 A CB -0.750 18.465 19.000 0.359 0.000 0.927 42 A HN 1.396 nan 8.150 nan 0.000 0.497 43 V N -4.762 115.098 119.914 -0.091 0.000 3.306 43 V HA 0.082 4.205 4.120 0.005 0.000 0.264 43 V C 1.505 177.385 176.094 -0.357 0.000 1.149 43 V CA 1.031 63.186 62.300 -0.242 0.000 1.143 43 V CB -1.169 30.392 31.823 -0.436 0.000 0.767 43 V HN 0.345 nan 8.190 nan 0.000 0.476 44 F N 0.731 120.609 119.950 -0.120 0.000 2.776 44 F HA 0.398 4.928 4.527 0.005 0.000 0.300 44 F C 1.593 177.176 175.800 -0.362 0.000 1.116 44 F CA -0.650 57.139 58.000 -0.350 0.000 1.375 44 F CB -0.213 38.398 39.000 -0.648 0.000 1.109 44 F HN 0.043 nan 8.300 nan 0.000 0.585 45 R N 0.600 121.115 120.500 0.024 0.000 2.537 45 R HA 0.198 4.541 4.340 0.005 0.000 0.280 45 R C 0.327 176.584 176.300 -0.072 0.000 1.058 45 R CA 0.054 56.181 56.100 0.045 0.000 1.057 45 R CB 0.685 31.072 30.300 0.144 0.000 0.973 45 R HN -0.018 nan 8.270 nan 0.000 0.438 46 S N 3.180 118.702 115.700 -0.297 0.000 2.498 46 S HA 0.457 4.931 4.470 0.005 0.000 0.317 46 S C -1.363 173.031 174.600 -0.343 0.000 1.090 46 S CA -0.608 57.422 58.200 -0.284 0.000 1.089 46 S CB 0.423 63.371 63.200 -0.421 0.000 0.997 46 S HN 0.429 nan 8.310 nan 0.000 0.470 47 Y N 2.925 123.183 120.300 -0.070 0.000 2.570 47 Y HA 0.644 5.197 4.550 0.005 0.000 0.345 47 Y C 0.027 175.908 175.900 -0.032 0.000 1.014 47 Y CA -1.012 57.050 58.100 -0.064 0.000 1.063 47 Y CB 1.757 40.213 38.460 -0.007 0.000 1.272 47 Y HN 0.517 nan 8.280 nan 0.000 0.477 48 I N 2.612 123.245 120.570 0.104 0.000 2.476 48 I HA 0.185 4.358 4.170 0.005 0.000 0.281 48 I C -0.864 175.308 176.117 0.091 0.000 1.040 48 I CA -0.247 61.120 61.300 0.112 0.000 1.094 48 I CB 1.118 39.206 38.000 0.145 0.000 1.219 48 I HN 0.780 nan 8.210 nan 0.000 0.450 49 D N 3.983 124.449 120.400 0.110 0.000 3.935 49 D HA -0.267 4.377 4.640 0.005 0.000 0.149 49 D C 0.289 176.604 176.300 0.025 0.000 0.932 49 D CA 2.060 56.103 54.000 0.072 0.000 1.083 49 D CB -0.373 40.483 40.800 0.093 0.000 0.549 49 D HN 0.836 nan 8.370 nan 0.000 0.577 50 D N 0.226 120.595 120.400 -0.052 0.000 2.559 50 D HA 0.365 5.008 4.640 0.005 0.000 0.234 50 D C -0.251 175.930 176.300 -0.199 0.000 1.226 50 D CA -0.189 53.720 54.000 -0.152 0.000 0.830 50 D CB 0.243 40.898 40.800 -0.243 0.000 1.028 50 D HN 0.137 nan 8.370 nan 0.000 0.492 51 E N 0.681 120.821 120.200 -0.101 0.000 2.109 51 E HA 0.209 4.562 4.350 0.005 0.000 0.278 51 E C -1.473 175.032 176.600 -0.158 0.000 0.954 51 E CA -1.003 55.265 56.400 -0.221 0.000 0.779 51 E CB 0.392 29.745 29.700 -0.577 0.000 1.093 51 E HN 0.221 nan 8.360 nan 0.000 0.401 52 Y N 5.665 125.777 120.300 -0.313 0.000 2.496 52 Y HA 0.030 4.583 4.550 0.005 0.000 0.334 52 Y C 0.596 176.216 175.900 -0.467 0.000 1.080 52 Y CA 0.206 57.918 58.100 -0.647 0.000 1.355 52 Y CB 0.603 38.747 38.460 -0.527 0.000 1.193 52 Y HN 0.621 nan 8.280 nan 0.000 0.523 53 M N 4.200 123.224 119.600 -0.960 0.000 2.545 53 M HA 0.310 4.793 4.480 0.005 0.000 0.264 53 M C 0.937 176.725 176.300 -0.853 0.000 1.155 53 M CA 1.129 56.008 55.300 -0.701 0.000 1.162 53 M CB -0.540 31.830 32.600 -0.384 0.000 1.330 53 M HN 0.878 nan 8.290 nan 0.000 0.479 54 G N -1.056 106.910 108.800 -1.391 0.000 2.339 54 G HA2 -0.018 3.945 3.960 0.005 0.000 0.275 54 G HA3 -0.018 3.945 3.960 0.005 0.000 0.275 54 G C -1.468 173.155 174.900 -0.461 0.000 1.323 54 G CA -0.840 43.711 45.100 -0.914 0.000 0.927 54 G HN 0.346 nan 8.290 nan 0.000 0.486 55 H N 1.810 120.765 119.070 -0.192 0.000 2.552 55 H HA 0.360 4.919 4.556 0.005 0.000 0.311 55 H C 0.319 175.542 175.328 -0.175 0.000 1.071 55 H CA -0.119 55.872 56.048 -0.096 0.000 1.307 55 H CB 0.599 30.365 29.762 0.007 0.000 1.416 55 H HN 0.410 nan 8.280 nan 0.000 0.464 56 K N 4.804 124.871 120.400 -0.554 0.000 2.451 56 K HA -0.103 4.221 4.320 0.005 0.000 0.280 56 K C -0.498 176.009 176.600 -0.154 0.000 1.020 56 K CA 0.596 56.313 56.287 -0.951 0.000 1.008 56 K CB 0.695 32.183 32.500 -1.687 0.000 0.917 56 K HN 0.564 nan 8.250 nan 0.000 0.478 57 W N 3.137 124.548 121.300 0.185 0.000 1.759 57 W HA 0.149 4.812 4.660 0.004 0.000 0.291 57 W C -0.147 176.448 176.519 0.125 0.000 0.855 57 W CA -0.696 56.688 57.345 0.065 0.000 2.167 57 W CB 0.759 30.151 29.460 -0.113 0.000 2.351 57 W HN 0.479 nan 8.180 nan 0.000 0.423 58 Q N -0.148 119.850 119.800 0.331 0.000 2.471 58 Q HA 0.058 4.401 4.340 0.005 0.000 0.223 58 Q C 1.651 177.809 176.000 0.262 0.000 1.045 58 Q CA -0.002 55.961 55.803 0.266 0.000 0.956 58 Q CB 0.989 29.852 28.738 0.209 0.000 1.249 58 Q HN 0.528 nan 8.270 nan 0.000 0.549 59 C N -1.657 117.771 119.300 0.214 0.000 2.429 59 C HA -0.080 4.383 4.460 0.005 0.000 0.277 59 C C 2.262 177.380 174.990 0.212 0.000 1.262 59 C CA 0.263 59.392 59.018 0.185 0.000 1.733 59 C CB -1.104 26.678 27.740 0.070 0.000 2.010 59 C HN 0.673 nan 8.230 nan 0.000 0.483 60 V N 1.631 121.657 119.914 0.188 0.000 2.343 60 V HA -0.206 3.917 4.120 0.005 0.000 0.247 60 V C 3.106 179.334 176.094 0.224 0.000 1.051 60 V CA 2.408 64.858 62.300 0.250 0.000 1.036 60 V CB -0.927 31.031 31.823 0.225 0.000 0.654 60 V HN 0.600 nan 8.190 nan 0.000 0.451 61 E N -0.015 120.285 120.200 0.168 0.000 2.118 61 E HA -0.263 4.091 4.350 0.005 0.000 0.195 61 E C 2.101 178.821 176.600 0.200 0.000 0.992 61 E CA 1.752 58.213 56.400 0.103 0.000 0.804 61 E CB -0.233 29.544 29.700 0.130 0.000 0.741 61 E HN 0.594 nan 8.360 nan 0.000 0.458 62 F N 1.057 121.119 119.950 0.187 0.000 2.113 62 F HA -0.047 4.483 4.527 0.006 0.000 0.297 62 F C 2.237 178.164 175.800 0.211 0.000 1.103 62 F CA 1.734 59.850 58.000 0.194 0.000 1.248 62 F CB -0.683 38.404 39.000 0.144 0.000 0.999 62 F HN 0.044 nan 8.300 nan 0.000 0.475 63 A N 0.770 123.633 122.820 0.070 0.000 1.908 63 A HA -0.221 4.102 4.320 0.005 0.000 0.218 63 A C 2.462 180.131 177.584 0.141 0.000 1.181 63 A CA 1.851 53.939 52.037 0.085 0.000 0.627 63 A CB -0.905 18.280 19.000 0.309 0.000 0.818 63 A HN 0.464 nan 8.150 nan 0.000 0.445 64 R N -0.955 119.582 120.500 0.062 0.000 2.092 64 R HA -0.092 4.251 4.340 0.005 0.000 0.231 64 R C 2.483 178.738 176.300 -0.076 0.000 1.119 64 R CA 1.497 57.470 56.100 -0.212 0.000 0.970 64 R CB -0.206 29.756 30.300 -0.563 0.000 0.864 64 R HN 0.574 nan 8.270 nan 0.000 0.440 65 R N -0.493 119.972 120.500 -0.059 0.000 2.075 65 R HA -0.146 4.197 4.340 0.005 0.000 0.232 65 R C 2.042 178.327 176.300 -0.025 0.000 1.126 65 R CA 1.519 57.627 56.100 0.014 0.000 0.963 65 R CB -0.425 29.907 30.300 0.054 0.000 0.858 65 R HN 0.175 nan 8.270 nan 0.000 0.435 66 F N 0.997 120.744 119.950 -0.338 0.000 2.069 66 F HA -0.187 4.344 4.527 0.007 0.000 0.298 66 F C 1.712 177.362 175.800 -0.249 0.000 1.113 66 F CA 1.652 59.427 58.000 -0.374 0.000 1.214 66 F CB -0.143 38.517 39.000 -0.567 0.000 0.978 66 F HN -0.016 nan 8.300 nan 0.000 0.474 67 L N -1.129 120.186 121.223 0.152 0.000 2.083 67 L HA -0.217 4.126 4.340 0.005 0.000 0.209 67 L C 2.408 179.299 176.870 0.035 0.000 1.083 67 L CA 1.316 56.265 54.840 0.181 0.000 0.752 67 L CB -0.999 41.264 42.059 0.340 0.000 0.899 67 L HN 0.229 nan 8.230 nan 0.000 0.433 68 F N 1.073 120.967 119.950 -0.092 0.000 2.075 68 F HA -0.187 4.343 4.527 0.005 0.000 0.297 68 F C 2.239 177.958 175.800 -0.136 0.000 1.113 68 F CA 1.527 59.473 58.000 -0.090 0.000 1.218 68 F CB -0.304 38.642 39.000 -0.091 0.000 0.984 68 F HN -0.153 nan 8.300 nan 0.000 0.472 69 L N -0.164 120.858 121.223 -0.334 0.000 2.141 69 L HA -0.193 4.150 4.340 0.005 0.000 0.209 69 L C 1.751 178.323 176.870 -0.496 0.000 1.094 69 L CA 1.803 56.384 54.840 -0.432 0.000 0.763 69 L CB -0.703 41.207 42.059 -0.250 0.000 0.908 69 L HN 0.232 nan 8.230 nan 0.000 0.437 70 N N -1.850 116.453 118.700 -0.662 0.000 2.432 70 N HA -0.025 4.718 4.740 0.005 0.000 0.174 70 N C 0.797 175.960 175.510 -0.578 0.000 1.037 70 N CA 0.511 53.098 53.050 -0.772 0.000 0.892 70 N CB 0.298 38.010 38.487 -1.292 0.000 1.049 70 N HN 0.293 nan 8.380 nan 0.000 0.442 71 Y N -1.149 119.052 120.300 -0.165 0.000 2.527 71 Y HA 0.369 4.922 4.550 0.005 0.000 0.247 71 Y C 1.270 177.120 175.900 -0.085 0.000 1.138 71 Y CA -0.521 57.529 58.100 -0.083 0.000 1.228 71 Y CB 1.041 39.501 38.460 -0.000 0.000 1.252 71 Y HN -0.063 nan 8.280 nan 0.000 0.531 72 G N 1.869 110.613 108.800 -0.093 0.000 2.258 72 G HA2 -0.259 3.704 3.960 0.005 0.000 0.274 72 G HA3 -0.259 3.704 3.960 0.005 0.000 0.274 72 G C -0.047 174.915 174.900 0.103 0.000 1.021 72 G CA 0.620 45.653 45.100 -0.111 0.000 0.798 72 G HN 0.493 nan 8.290 nan 0.000 0.507 73 V N -3.427 116.597 119.914 0.182 0.000 3.074 73 V HA 0.973 5.096 4.120 0.005 0.000 0.314 73 V C 0.283 176.504 176.094 0.212 0.000 1.117 73 V CA -0.479 61.946 62.300 0.208 0.000 1.014 73 V CB 2.251 34.189 31.823 0.191 0.000 1.057 73 V HN 1.653 nan 8.190 nan 0.000 0.438 74 V N -0.457 119.536 119.914 0.133 0.000 3.147 74 V HA 0.821 4.944 4.120 0.005 0.000 0.306 74 V C -0.754 175.326 176.094 -0.025 0.000 1.209 74 V CA -0.794 61.495 62.300 -0.019 0.000 1.023 74 V CB 1.530 33.287 31.823 -0.110 0.000 1.059 74 V HN 1.551 nan 8.190 nan 0.000 0.435 75 F N -0.806 119.125 119.950 -0.031 0.000 2.470 75 F HA 0.855 5.386 4.527 0.006 0.000 0.329 75 F C 0.525 176.265 175.800 -0.100 0.000 1.072 75 F CA -0.843 57.070 58.000 -0.145 0.000 0.989 75 F CB 1.088 40.011 39.000 -0.127 0.000 1.193 75 F HN 0.716 nan 8.300 nan 0.000 0.481 76 T N 0.996 115.583 114.554 0.055 0.000 2.903 76 T HA 0.007 4.360 4.350 0.005 0.000 0.314 76 T C -0.331 174.485 174.700 0.193 0.000 1.078 76 T CA 0.011 62.177 62.100 0.110 0.000 1.114 76 T CB -0.045 68.901 68.868 0.129 0.000 0.987 76 T HN 0.805 nan 8.240 nan 0.000 0.548 77 D N 1.088 121.583 120.400 0.158 0.000 2.525 77 D HA 0.265 4.908 4.640 0.005 0.000 0.235 77 D C -0.223 176.155 176.300 0.130 0.000 1.137 77 D CA 0.298 54.393 54.000 0.157 0.000 0.868 77 D CB 0.377 41.255 40.800 0.131 0.000 1.180 77 D HN 0.391 nan 8.370 nan 0.000 0.465 78 V N 0.841 120.823 119.914 0.114 0.000 3.007 78 V HA 0.769 4.892 4.120 0.005 0.000 0.311 78 V C 1.123 177.209 176.094 -0.013 0.000 1.120 78 V CA -0.215 62.093 62.300 0.013 0.000 0.980 78 V CB 1.466 33.269 31.823 -0.033 0.000 1.033 78 V HN 0.513 nan 8.190 nan 0.000 0.429 79 G N 2.005 110.753 108.800 -0.086 0.000 2.395 79 G HA2 0.170 4.133 3.960 0.005 0.000 0.214 79 G HA3 0.170 4.133 3.960 0.005 0.000 0.214 79 G C 0.536 175.391 174.900 -0.075 0.000 1.177 79 G CA 0.634 45.696 45.100 -0.063 0.000 0.794 79 G HN 0.536 nan 8.290 nan 0.000 0.532 80 M N -0.681 118.800 119.600 -0.198 0.000 2.530 80 M HA 0.560 5.043 4.480 0.005 0.000 0.307 80 M C 1.258 177.378 176.300 -0.299 0.000 1.161 80 M CA -1.220 53.967 55.300 -0.187 0.000 0.903 80 M CB 1.555 34.085 32.600 -0.116 0.000 1.711 80 M HN 0.105 nan 8.290 nan 0.000 0.451 81 A N 3.191 125.955 122.820 -0.092 0.000 1.927 81 A HA -0.154 4.169 4.320 0.005 0.000 0.220 81 A C 1.713 179.255 177.584 -0.070 0.000 1.185 81 A CA 2.327 54.326 52.037 -0.063 0.000 0.639 81 A CB -0.927 18.083 19.000 0.016 0.000 0.820 81 A HN 0.967 nan 8.150 nan 0.000 0.451 82 W N 0.425 121.755 121.300 0.049 0.000 2.387 82 W HA -0.138 4.525 4.660 0.006 0.000 0.272 82 W C 1.016 177.579 176.519 0.075 0.000 1.224 82 W CA 1.093 58.476 57.345 0.063 0.000 1.210 82 W CB -0.881 28.625 29.460 0.076 0.000 1.125 82 W HN 0.531 nan 8.180 nan 0.000 0.572 83 E N 1.092 120.867 120.200 -0.707 0.000 2.347 83 E HA -0.109 4.244 4.350 0.005 0.000 0.196 83 E C 2.152 178.624 176.600 -0.214 0.000 1.008 83 E CA 0.986 57.026 56.400 -0.601 0.000 0.852 83 E CB -0.290 28.942 29.700 -0.781 0.000 0.783 83 E HN 0.351 nan 8.360 nan 0.000 0.505 84 I N 0.668 121.127 120.570 -0.185 0.000 2.264 84 I HA -0.271 3.902 4.170 0.005 0.000 0.248 84 I C 2.175 178.258 176.117 -0.056 0.000 1.111 84 I CA 0.959 62.135 61.300 -0.206 0.000 1.382 84 I CB -0.255 37.531 38.000 -0.356 0.000 1.060 84 I HN 0.070 nan 8.210 nan 0.000 0.418 85 F N 1.362 121.254 119.950 -0.097 0.000 2.307 85 F HA -0.210 4.320 4.527 0.005 0.000 0.301 85 F C 2.461 178.232 175.800 -0.048 0.000 1.076 85 F CA 1.276 59.245 58.000 -0.053 0.000 1.383 85 F CB -0.255 38.754 39.000 0.015 0.000 1.055 85 F HN -0.061 nan 8.300 nan 0.000 0.526 86 S N -0.084 115.615 115.700 -0.001 0.000 2.527 86 S HA 0.161 4.634 4.470 0.005 0.000 0.222 86 S C 0.775 175.332 174.600 -0.072 0.000 0.985 86 S CA -0.167 58.003 58.200 -0.051 0.000 0.921 86 S CB -0.218 62.999 63.200 0.029 0.000 0.772 86 S HN 0.065 nan 8.310 nan 0.000 0.529 87 L N 1.708 122.882 121.223 -0.082 0.000 2.439 87 L HA 0.317 4.660 4.340 0.005 0.000 0.269 87 L C 1.265 178.109 176.870 -0.043 0.000 1.179 87 L CA -0.217 54.603 54.840 -0.034 0.000 0.828 87 L CB 0.337 42.333 42.059 -0.105 0.000 1.106 87 L HN -0.030 nan 8.230 nan 0.000 0.467 88 R N 2.903 123.464 120.500 0.101 0.000 2.600 88 R HA 0.286 4.629 4.340 0.005 0.000 0.392 88 R C -0.904 175.545 176.300 0.249 0.000 1.032 88 R CA -0.068 56.086 56.100 0.089 0.000 1.139 88 R CB 0.354 30.676 30.300 0.037 0.000 1.400 88 R HN 0.612 nan 8.270 nan 0.000 0.566 89 F N -1.994 117.973 119.950 0.028 0.000 2.686 89 F HA 0.681 5.211 4.527 0.005 0.000 0.311 89 F C -1.696 174.164 175.800 0.101 0.000 1.128 89 F CA -1.318 56.718 58.000 0.061 0.000 0.946 89 F CB 1.307 40.353 39.000 0.076 0.000 1.336 89 F HN -0.285 nan 8.300 nan 0.000 0.457 90 L N 2.213 123.467 121.223 0.050 0.000 2.371 90 L HA 0.596 4.939 4.340 0.005 0.000 0.262 90 L C -0.805 176.159 176.870 0.157 0.000 1.006 90 L CA -1.071 53.759 54.840 -0.017 0.000 0.818 90 L CB 2.482 44.589 42.059 0.080 0.000 1.354 90 L HN 0.816 nan 8.230 nan 0.000 0.415 91 R N 1.831 122.411 120.500 0.133 0.000 2.255 91 R HA 0.237 4.580 4.340 0.005 0.000 0.326 91 R C -0.555 175.846 176.300 0.169 0.000 0.986 91 R CA -0.470 55.749 56.100 0.200 0.000 0.847 91 R CB 1.243 31.671 30.300 0.213 0.000 1.111 91 R HN 0.615 nan 8.270 nan 0.000 0.452 92 E N 4.380 124.677 120.200 0.161 0.000 2.052 92 E HA 0.016 4.369 4.350 0.005 0.000 0.283 92 E C 1.348 178.044 176.600 0.159 0.000 1.071 92 E CA -0.379 56.110 56.400 0.148 0.000 0.851 92 E CB 0.975 30.748 29.700 0.122 0.000 1.066 92 E HN 0.642 nan 8.360 nan 0.000 0.396 93 V N 2.717 122.746 119.914 0.192 0.000 2.546 93 V HA -0.252 3.871 4.120 0.005 0.000 0.254 93 V C 1.823 178.014 176.094 0.161 0.000 1.076 93 V CA 1.948 64.377 62.300 0.215 0.000 1.087 93 V CB -1.218 30.835 31.823 0.383 0.000 0.674 93 V HN 0.617 nan 8.190 nan 0.000 0.470 94 V N 0.895 120.883 119.914 0.123 0.000 2.548 94 V HA -0.066 4.057 4.120 0.005 0.000 0.249 94 V C 1.861 177.993 176.094 0.065 0.000 1.055 94 V CA 2.103 64.453 62.300 0.082 0.000 1.065 94 V CB -1.486 30.370 31.823 0.056 0.000 0.681 94 V HN 0.899 nan 8.190 nan 0.000 0.462 95 N N -2.001 116.751 118.700 0.086 0.000 2.170 95 N HA 0.075 4.818 4.740 0.005 0.000 0.222 95 N C 0.018 175.614 175.510 0.144 0.000 1.218 95 N CA 0.373 53.478 53.050 0.092 0.000 0.889 95 N CB 0.565 39.104 38.487 0.088 0.000 1.083 95 N HN 0.272 nan 8.380 nan 0.000 0.520 96 D N 0.785 121.278 120.400 0.155 0.000 3.059 96 D HA -0.197 4.446 4.640 0.005 0.000 0.220 96 D C -0.388 176.095 176.300 0.305 0.000 1.169 96 D CA 0.696 54.828 54.000 0.220 0.000 0.902 96 D CB -1.558 39.392 40.800 0.251 0.000 1.116 96 D HN 0.635 nan 8.370 nan 0.000 0.417 97 N N -0.042 118.801 118.700 0.237 0.000 2.371 97 N HA 0.236 4.979 4.740 0.005 0.000 0.243 97 N C -0.032 175.511 175.510 0.055 0.000 1.287 97 N CA 0.076 53.239 53.050 0.188 0.000 0.911 97 N CB 0.592 39.171 38.487 0.153 0.000 1.142 97 N HN 0.099 nan 8.380 nan 0.000 0.451 98 I N 3.096 123.611 120.570 -0.092 0.000 2.418 98 I HA 0.259 4.432 4.170 0.005 0.000 0.287 98 I C -0.609 175.563 176.117 0.092 0.000 1.008 98 I CA -0.586 60.735 61.300 0.035 0.000 1.104 98 I CB 1.563 39.531 38.000 -0.054 0.000 1.264 98 I HN 0.372 nan 8.210 nan 0.000 0.438 99 L N 7.755 129.077 121.223 0.165 0.000 2.344 99 L HA 0.589 4.932 4.340 0.005 0.000 0.272 99 L C -2.298 174.667 176.870 0.159 0.000 1.035 99 L CA -1.939 52.980 54.840 0.131 0.000 0.807 99 L CB 1.447 43.571 42.059 0.107 0.000 1.237 99 L HN 0.299 nan 8.230 nan 0.000 0.442 100 P HA 0.206 nan 4.420 nan 0.000 0.279 100 P C -1.199 176.150 177.300 0.080 0.000 1.239 100 P CA -0.356 62.804 63.100 0.099 0.000 0.789 100 P CB 1.810 33.545 31.700 0.058 0.000 0.933 101 L N 3.251 124.512 121.223 0.063 0.000 2.406 101 L HA 0.378 4.721 4.340 0.005 0.000 0.272 101 L C -0.637 176.198 176.870 -0.059 0.000 0.980 101 L CA -0.335 54.518 54.840 0.022 0.000 0.831 101 L CB 1.796 43.864 42.059 0.014 0.000 1.253 101 L HN 0.222 nan 8.230 nan 0.000 0.406 102 Q N 3.358 123.105 119.800 -0.089 0.000 2.257 102 Q HA 0.804 5.147 4.340 0.005 0.000 0.262 102 Q C -0.812 174.865 176.000 -0.538 0.000 0.997 102 Q CA -0.605 55.005 55.803 -0.321 0.000 0.873 102 Q CB 2.082 30.619 28.738 -0.335 0.000 1.312 102 Q HN 0.779 nan 8.270 nan 0.000 0.450 103 A N 1.790 124.112 122.820 -0.830 0.000 2.330 103 A HA 0.818 5.141 4.320 0.005 0.000 0.327 103 A C -1.246 175.703 177.584 -1.059 0.000 1.155 103 A CA -0.494 51.021 52.037 -0.870 0.000 0.803 103 A CB 0.574 18.914 19.000 -1.101 0.000 1.208 103 A HN 0.535 nan 8.150 nan 0.000 0.477 104 F N 2.877 122.664 119.950 -0.271 0.000 2.529 104 F HA 0.516 5.045 4.527 0.005 0.000 0.320 104 F C -2.215 173.306 175.800 -0.466 0.000 1.118 104 F CA -2.191 55.580 58.000 -0.382 0.000 0.915 104 F CB 2.603 41.278 39.000 -0.542 0.000 1.161 104 F HN 0.350 nan 8.300 nan 0.000 0.445 105 P HA 0.030 nan 4.420 nan 0.000 0.278 105 P C -0.622 176.403 177.300 -0.458 0.000 1.238 105 P CA -0.370 62.620 63.100 -0.182 0.000 0.794 105 P CB 0.963 32.638 31.700 -0.043 0.000 0.955 106 N N 1.493 119.972 118.700 -0.368 0.000 2.411 106 N HA 0.144 4.887 4.740 0.005 0.000 0.261 106 N C 1.273 176.754 175.510 -0.047 0.000 1.248 106 N CA 1.900 54.840 53.050 -0.184 0.000 0.885 106 N CB -0.725 37.733 38.487 -0.048 0.000 1.062 106 N HN 0.761 nan 8.380 nan 0.000 0.471 107 G N 1.211 110.076 108.800 0.108 0.000 2.154 107 G HA2 -0.203 3.761 3.960 0.005 0.000 0.186 107 G HA3 -0.203 3.761 3.960 0.005 0.000 0.186 107 G C 0.071 175.026 174.900 0.091 0.000 1.000 107 G CA 0.168 45.330 45.100 0.104 0.000 0.664 107 G HN 0.806 nan 8.290 nan 0.000 0.513 108 S N 0.213 115.978 115.700 0.109 0.000 2.601 108 S HA 0.593 5.066 4.470 0.005 0.000 0.271 108 S C -0.496 174.183 174.600 0.131 0.000 1.305 108 S CA -0.647 57.595 58.200 0.071 0.000 1.022 108 S CB 1.404 64.588 63.200 -0.026 0.000 0.940 108 S HN 0.007 nan 8.310 nan 0.000 0.525 109 P HA 0.051 nan 4.420 nan 0.000 0.225 109 P C -0.116 177.024 177.300 -0.267 0.000 1.156 109 P CA 0.422 63.341 63.100 -0.302 0.000 0.787 109 P CB 0.117 31.252 31.700 -0.942 0.000 0.802 110 R N 1.374 121.685 120.500 -0.315 0.000 2.291 110 R HA 0.431 4.774 4.340 0.005 0.000 0.333 110 R C -0.335 175.859 176.300 -0.177 0.000 1.082 110 R CA -0.549 55.389 56.100 -0.271 0.000 0.948 110 R CB -1.072 28.884 30.300 -0.573 0.000 1.009 110 R HN -0.064 nan 8.270 nan 0.000 0.460 111 A N 6.859 129.374 122.820 -0.508 0.000 2.483 111 A HA 0.304 4.627 4.320 0.005 0.000 0.238 111 A C -1.971 175.195 177.584 -0.697 0.000 1.070 111 A CA -1.071 50.366 52.037 -1.000 0.000 0.770 111 A CB -0.186 18.094 19.000 -1.199 0.000 1.008 111 A HN 0.763 nan 8.150 nan 0.000 0.497 112 P HA 0.249 nan 4.420 nan 0.000 0.274 112 P C -0.013 176.910 177.300 -0.629 0.000 1.470 112 P CA -0.076 62.264 63.100 -1.266 0.000 1.001 112 P CB 0.238 30.838 31.700 -1.833 0.000 1.332 113 V N 1.677 121.355 119.914 -0.392 0.000 3.003 113 V HA 0.610 4.733 4.120 0.005 0.000 0.305 113 V C 0.554 176.556 176.094 -0.153 0.000 1.078 113 V CA -1.003 61.154 62.300 -0.238 0.000 1.083 113 V CB 0.158 31.886 31.823 -0.159 0.000 1.039 113 V HN 0.538 nan 8.190 nan 0.000 0.481 114 A N 2.544 125.303 122.820 -0.102 0.000 2.540 114 A HA 0.522 4.846 4.320 0.005 0.000 0.239 114 A C 1.565 179.182 177.584 0.056 0.000 1.061 114 A CA 0.575 52.598 52.037 -0.024 0.000 0.758 114 A CB -0.648 18.352 19.000 0.001 0.000 0.991 114 A HN 2.801 nan 8.150 nan 0.000 0.502 115 G N 0.516 109.394 108.800 0.129 0.000 2.234 115 G HA2 0.143 4.106 3.960 0.005 0.000 0.235 115 G HA3 0.143 4.106 3.960 0.005 0.000 0.235 115 G C 0.672 175.678 174.900 0.177 0.000 0.997 115 G CA 0.482 45.748 45.100 0.276 0.000 0.623 115 G HN 2.213 nan 8.290 nan 0.000 0.514 116 A N 0.327 123.194 122.820 0.079 0.000 2.386 116 A HA 0.694 5.017 4.320 0.005 0.000 0.248 116 A C 0.595 178.255 177.584 0.126 0.000 1.082 116 A CA 0.053 52.155 52.037 0.108 0.000 0.789 116 A CB 0.335 19.390 19.000 0.091 0.000 1.025 116 A HN 0.892 nan 8.150 nan 0.000 0.490 117 L N 1.157 122.480 121.223 0.168 0.000 2.349 117 L HA 0.341 4.684 4.340 0.005 0.000 0.275 117 L C -0.374 176.611 176.870 0.192 0.000 1.115 117 L CA -0.412 54.516 54.840 0.146 0.000 0.820 117 L CB 1.052 43.172 42.059 0.102 0.000 1.135 117 L HN 0.635 nan 8.230 nan 0.000 0.445 118 L N 5.464 126.783 121.223 0.160 0.000 2.325 118 L HA 0.556 4.899 4.340 0.005 0.000 0.281 118 L C -0.679 176.258 176.870 0.111 0.000 1.004 118 L CA -0.134 54.785 54.840 0.131 0.000 0.823 118 L CB 1.091 43.206 42.059 0.094 0.000 1.236 118 L HN 0.273 nan 8.230 nan 0.000 0.415 119 I N 4.280 124.849 120.570 -0.002 0.000 2.474 119 I HA 0.336 4.509 4.170 0.005 0.000 0.294 119 I C -0.604 175.447 176.117 -0.109 0.000 1.005 119 I CA -0.664 60.655 61.300 0.033 0.000 1.113 119 I CB 1.550 39.571 38.000 0.034 0.000 1.289 119 I HN 0.576 nan 8.210 nan 0.000 0.436 120 W N 3.357 124.633 121.300 -0.041 0.000 2.551 120 W HA 0.241 4.904 4.660 0.005 0.000 0.330 120 W C 0.163 176.720 176.519 0.064 0.000 1.063 120 W CA -0.222 57.136 57.345 0.021 0.000 1.222 120 W CB 2.174 31.666 29.460 0.054 0.000 1.349 120 W HN 0.463 nan 8.180 nan 0.000 0.536 121 D N 2.008 122.549 120.400 0.235 0.000 2.377 121 D HA 0.089 4.732 4.640 0.005 0.000 0.245 121 D C -0.030 176.372 176.300 0.170 0.000 1.196 121 D CA 0.031 54.123 54.000 0.154 0.000 0.962 121 D CB 1.056 41.858 40.800 0.004 0.000 1.127 121 D HN 0.212 nan 8.370 nan 0.000 0.471 122 K N 0.021 120.369 120.400 -0.086 0.000 2.355 122 K HA 0.540 4.863 4.320 0.005 0.000 0.270 122 K C 0.263 176.855 176.600 -0.012 0.000 1.003 122 K CA -0.699 55.554 56.287 -0.057 0.000 0.957 122 K CB 0.573 32.861 32.500 -0.353 0.000 0.939 122 K HN 0.499 nan 8.250 nan 0.000 0.482 123 G N 0.083 108.916 108.800 0.054 0.000 2.435 123 G HA2 0.364 4.327 3.960 0.005 0.000 0.603 123 G HA3 0.364 4.327 3.960 0.005 0.000 0.603 123 G C 0.213 175.124 174.900 0.017 0.000 1.496 123 G CA -0.147 44.967 45.100 0.024 0.000 0.896 123 G HN 1.116 nan 8.290 nan 0.000 0.657 124 G N 1.232 110.009 108.800 -0.039 0.000 2.596 124 G HA2 -0.169 3.794 3.960 0.005 0.000 0.304 124 G HA3 -0.169 3.794 3.960 0.005 0.000 0.304 124 G C 1.237 176.000 174.900 -0.229 0.000 1.189 124 G CA 1.369 46.406 45.100 -0.105 0.000 0.986 124 G HN 1.956 nan 8.290 nan 0.000 0.548 125 E N 0.530 120.457 120.200 -0.456 0.000 2.118 125 E HA 0.038 4.391 4.350 0.005 0.000 0.195 125 E C 1.692 177.823 176.600 -0.780 0.000 0.992 125 E CA 1.721 57.620 56.400 -0.833 0.000 0.804 125 E CB -0.285 28.435 29.700 -1.633 0.000 0.741 125 E HN 0.484 nan 8.360 nan 0.000 0.458 126 F N 0.363 120.175 119.950 -0.230 0.000 2.983 126 F HA 0.239 4.769 4.527 0.005 0.000 0.307 126 F C 1.015 176.791 175.800 -0.039 0.000 1.218 126 F CA -1.039 56.881 58.000 -0.133 0.000 1.323 126 F CB 0.324 39.269 39.000 -0.092 0.000 0.989 126 F HN -0.189 nan 8.300 nan 0.000 0.509 127 K N 0.565 120.987 120.400 0.037 0.000 2.220 127 K HA -0.293 4.030 4.320 0.005 0.000 0.229 127 K C 1.134 177.769 176.600 0.059 0.000 0.800 127 K CA 2.490 58.792 56.287 0.026 0.000 0.965 127 K CB -0.668 31.832 32.500 0.000 0.000 0.560 127 K HN 0.247 nan 8.250 nan 0.000 0.785 128 D N -1.027 119.423 120.400 0.083 0.000 2.301 128 D HA -0.008 4.635 4.640 0.005 0.000 0.206 128 D C 1.953 178.395 176.300 0.236 0.000 0.979 128 D CA 1.566 55.633 54.000 0.112 0.000 0.874 128 D CB -0.073 40.786 40.800 0.100 0.000 0.968 128 D HN 0.604 nan 8.370 nan 0.000 0.510 129 T N -1.551 113.152 114.554 0.249 0.000 2.896 129 T HA 0.269 4.622 4.350 0.005 0.000 0.263 129 T C 1.375 176.347 174.700 0.453 0.000 1.050 129 T CA 0.895 63.185 62.100 0.316 0.000 1.140 129 T CB 0.154 69.147 68.868 0.209 0.000 0.877 129 T HN 0.283 nan 8.240 nan 0.000 0.457 130 G N 1.023 110.057 108.800 0.390 0.000 2.693 130 G HA2 -0.041 3.922 3.960 0.005 0.000 0.226 130 G HA3 -0.041 3.922 3.960 0.005 0.000 0.226 130 G C -0.508 174.486 174.900 0.156 0.000 1.354 130 G CA -0.068 45.263 45.100 0.385 0.000 0.873 130 G HN 1.087 nan 8.290 nan 0.000 0.562 131 H N -2.175 116.840 119.070 -0.092 0.000 3.003 131 H HA 0.600 5.159 4.556 0.005 0.000 0.327 131 H C -1.788 173.528 175.328 -0.019 0.000 1.353 131 H CA -0.012 55.798 56.048 -0.397 0.000 1.142 131 H CB 1.890 30.655 29.762 -1.662 0.000 1.864 131 H HN 1.344 nan 8.280 nan 0.000 0.529 132 V N 1.908 121.360 119.914 -0.770 0.000 2.808 132 V HA 0.811 4.934 4.120 0.005 0.000 0.308 132 V C -1.353 174.486 176.094 -0.425 0.000 1.099 132 V CA 0.351 62.456 62.300 -0.325 0.000 0.920 132 V CB 1.177 32.925 31.823 -0.124 0.000 1.014 132 V HN 1.009 nan 8.190 nan 0.000 0.425 133 A N 6.614 129.445 122.820 0.020 0.000 2.530 133 A HA 0.945 5.268 4.320 0.005 0.000 0.288 133 A C -1.494 176.186 177.584 0.162 0.000 1.172 133 A CA -0.748 51.376 52.037 0.144 0.000 0.733 133 A CB 1.811 21.002 19.000 0.319 0.000 1.320 133 A HN 0.691 nan 8.150 nan 0.000 0.419 134 I N 1.149 121.795 120.570 0.127 0.000 2.404 134 I HA 0.341 4.514 4.170 0.005 0.000 0.293 134 I C -0.347 175.762 176.117 -0.014 0.000 0.992 134 I CA -0.383 60.892 61.300 -0.040 0.000 1.149 134 I CB 1.242 38.978 38.000 -0.441 0.000 1.315 134 I HN 0.497 nan 8.210 nan 0.000 0.446 135 I N 5.550 126.112 120.570 -0.013 0.000 2.396 135 I HA 0.039 4.212 4.170 0.005 0.000 0.289 135 I C 1.557 177.660 176.117 -0.023 0.000 1.056 135 I CA 0.116 61.404 61.300 -0.020 0.000 1.365 135 I CB 1.129 39.083 38.000 -0.076 0.000 1.407 135 I HN 0.715 nan 8.210 nan 0.000 0.509 136 T N 2.093 116.652 114.554 0.009 0.000 3.039 136 T HA 0.105 4.458 4.350 0.005 0.000 0.250 136 T C 0.422 175.132 174.700 0.017 0.000 1.052 136 T CA 0.065 62.199 62.100 0.057 0.000 1.125 136 T CB 0.219 69.169 68.868 0.137 0.000 0.908 136 T HN 0.685 nan 8.240 nan 0.000 0.473 137 Q N 0.379 120.142 119.800 -0.061 0.000 2.320 137 Q HA 0.672 5.015 4.340 0.005 0.000 0.272 137 Q C -2.027 173.810 176.000 -0.271 0.000 1.023 137 Q CA -1.225 54.474 55.803 -0.173 0.000 0.855 137 Q CB 1.925 30.543 28.738 -0.200 0.000 1.367 137 Q HN 0.202 nan 8.270 nan 0.000 0.406 138 L N 2.374 123.395 121.223 -0.337 0.000 2.317 138 L HA 0.570 4.913 4.340 0.005 0.000 0.281 138 L C -0.916 175.682 176.870 -0.453 0.000 1.024 138 L CA 0.060 54.715 54.840 -0.309 0.000 0.810 138 L CB 1.061 42.972 42.059 -0.247 0.000 1.240 138 L HN 0.788 nan 8.230 nan 0.000 0.427 139 H N 2.243 121.258 119.070 -0.092 0.000 3.315 139 H HA 0.451 5.010 4.556 0.005 0.000 0.280 139 H C 0.486 175.789 175.328 -0.042 0.000 1.664 139 H CA -0.076 55.929 56.048 -0.071 0.000 1.531 139 H CB 0.997 30.704 29.762 -0.090 0.000 1.673 139 H HN 0.675 nan 8.280 nan 0.000 0.857 140 G N -0.505 108.371 108.800 0.127 0.000 2.492 140 G HA2 -0.173 3.790 3.960 0.005 0.000 0.214 140 G HA3 -0.173 3.790 3.960 0.005 0.000 0.214 140 G C 0.953 175.874 174.900 0.034 0.000 1.147 140 G CA 0.475 45.609 45.100 0.057 0.000 0.809 140 G HN 0.481 nan 8.290 nan 0.000 0.533 141 N N -0.936 117.780 118.700 0.028 0.000 2.240 141 N HA 0.190 4.933 4.740 0.005 0.000 0.240 141 N C -0.228 175.276 175.510 -0.009 0.000 1.277 141 N CA -0.283 52.765 53.050 -0.002 0.000 0.873 141 N CB 0.388 38.861 38.487 -0.023 0.000 1.222 141 N HN 0.501 nan 8.380 nan 0.000 0.507 142 K N -2.248 118.161 120.400 0.016 0.000 2.614 142 K HA 0.639 4.962 4.320 0.005 0.000 0.293 142 K C -1.763 174.856 176.600 0.032 0.000 1.045 142 K CA -0.898 55.385 56.287 -0.007 0.000 0.880 142 K CB 1.475 33.928 32.500 -0.079 0.000 1.552 142 K HN -0.204 nan 8.250 nan 0.000 0.404 143 V N 0.327 120.236 119.914 -0.008 0.000 2.932 143 V HA 0.499 4.622 4.120 0.005 0.000 0.307 143 V C -1.413 174.645 176.094 -0.059 0.000 1.147 143 V CA -0.782 61.499 62.300 -0.033 0.000 0.951 143 V CB 2.370 34.136 31.823 -0.095 0.000 1.031 143 V HN 0.703 nan 8.190 nan 0.000 0.426 144 R N 4.329 124.778 120.500 -0.086 0.000 2.532 144 R HA 0.791 5.134 4.340 0.005 0.000 0.295 144 R C -0.731 175.586 176.300 0.027 0.000 0.968 144 R CA -0.503 55.520 56.100 -0.128 0.000 0.916 144 R CB 1.948 32.036 30.300 -0.354 0.000 1.124 144 R HN 0.758 nan 8.270 nan 0.000 0.463 145 I N -1.605 119.048 120.570 0.138 0.000 2.934 145 I HA 0.874 5.047 4.170 0.005 0.000 0.306 145 I C -1.084 175.153 176.117 0.199 0.000 1.110 145 I CA -1.135 60.262 61.300 0.162 0.000 1.019 145 I CB 2.512 40.638 38.000 0.211 0.000 1.227 145 I HN 0.595 nan 8.210 nan 0.000 0.434 146 A N 3.382 126.282 122.820 0.133 0.000 2.374 146 A HA 0.910 5.233 4.320 0.005 0.000 0.317 146 A C -0.743 176.802 177.584 -0.065 0.000 1.094 146 A CA -0.345 51.714 52.037 0.036 0.000 0.765 146 A CB 1.378 20.450 19.000 0.119 0.000 1.268 146 A HN 0.986 nan 8.150 nan 0.000 0.438 147 E N 0.770 120.711 120.200 -0.431 0.000 2.417 147 E HA 0.422 4.775 4.350 0.005 0.000 0.280 147 E C -1.569 174.707 176.600 -0.541 0.000 1.112 147 E CA -0.781 55.389 56.400 -0.384 0.000 0.863 147 E CB 0.804 30.526 29.700 0.036 0.000 1.346 147 E HN 0.569 nan 8.360 nan 0.000 0.443 148 Q N 0.243 119.898 119.800 -0.241 0.000 2.387 148 Q HA 0.386 4.729 4.340 0.005 0.000 0.273 148 Q C -0.851 175.156 176.000 0.012 0.000 1.089 148 Q CA -0.491 55.219 55.803 -0.154 0.000 0.824 148 Q CB 1.207 29.963 28.738 0.029 0.000 1.367 148 Q HN 0.681 nan 8.270 nan 0.000 0.443 149 N N 0.792 119.436 118.700 -0.093 0.000 2.815 149 N HA -0.163 4.581 4.740 0.005 0.000 0.248 149 N C -1.132 174.424 175.510 0.076 0.000 1.110 149 N CA 1.074 54.134 53.050 0.017 0.000 0.699 149 N CB -1.022 37.578 38.487 0.189 0.000 1.040 149 N HN 0.354 nan 8.380 nan 0.000 0.555 150 V N -1.195 118.682 119.914 -0.061 0.000 3.629 150 V HA 0.398 4.521 4.120 0.005 0.000 0.194 150 V C 0.599 176.731 176.094 0.064 0.000 1.343 150 V CA 0.407 62.742 62.300 0.058 0.000 1.292 150 V CB 0.063 31.906 31.823 0.033 0.000 1.287 150 V HN 0.108 nan 8.190 nan 0.000 0.554 151 I N 0.901 121.416 120.570 -0.092 0.000 2.395 151 I HA 0.334 4.507 4.170 0.005 0.000 0.289 151 I C 0.447 176.403 176.117 -0.268 0.000 1.023 151 I CA 0.583 61.830 61.300 -0.089 0.000 1.350 151 I CB 0.707 38.629 38.000 -0.130 0.000 1.409 151 I HN 0.291 nan 8.210 nan 0.000 0.507 152 H N 1.666 120.715 119.070 -0.036 0.000 3.078 152 H HA 0.269 4.828 4.556 0.005 0.000 0.263 152 H C -0.058 175.239 175.328 -0.051 0.000 1.177 152 H CA -0.094 55.932 56.048 -0.037 0.000 1.128 152 H CB 0.504 30.266 29.762 -0.000 0.000 1.623 152 H HN 0.581 nan 8.280 nan 0.000 0.592 153 S N -0.114 115.588 115.700 0.002 0.000 2.578 153 S HA 0.529 5.002 4.470 0.005 0.000 0.301 153 S C -2.857 171.690 174.600 -0.088 0.000 1.091 153 S CA -1.917 56.267 58.200 -0.027 0.000 1.032 153 S CB 2.392 65.582 63.200 -0.016 0.000 1.064 153 S HN -0.152 nan 8.310 nan 0.000 0.508 154 P HA 0.167 nan 4.420 nan 0.000 0.262 154 P C -0.798 176.423 177.300 -0.131 0.000 1.182 154 P CA 0.075 63.107 63.100 -0.113 0.000 0.761 154 P CB 0.211 31.863 31.700 -0.080 0.000 0.795 155 L N 5.662 126.783 121.223 -0.171 0.000 2.421 155 L HA 0.414 4.757 4.340 0.005 0.000 0.263 155 L C -1.501 175.270 176.870 -0.166 0.000 1.122 155 L CA -2.068 52.649 54.840 -0.206 0.000 0.804 155 L CB 0.050 41.947 42.059 -0.270 0.000 1.150 155 L HN 0.298 nan 8.230 nan 0.000 0.457 156 P HA 0.008 nan 4.420 nan 0.000 0.270 156 P C -1.199 176.042 177.300 -0.099 0.000 1.223 156 P CA -0.547 62.481 63.100 -0.121 0.000 0.785 156 P CB 0.348 31.977 31.700 -0.120 0.000 0.923 157 Q N 0.917 120.683 119.800 -0.057 0.000 2.687 157 Q HA -0.043 4.300 4.340 0.005 0.000 0.341 157 Q C 1.509 177.493 176.000 -0.026 0.000 1.074 157 Q CA 1.565 57.350 55.803 -0.031 0.000 1.115 157 Q CB -1.162 27.566 28.738 -0.018 0.000 0.996 157 Q HN 0.947 nan 8.270 nan 0.000 0.397 158 G N 2.629 111.423 108.800 -0.010 0.000 2.196 158 G HA2 -0.385 3.578 3.960 0.005 0.000 0.268 158 G HA3 -0.385 3.578 3.960 0.005 0.000 0.268 158 G C 0.270 175.169 174.900 -0.002 0.000 0.975 158 G CA 0.830 45.934 45.100 0.006 0.000 0.648 158 G HN 0.644 nan 8.290 nan 0.000 0.538 159 Q N 0.413 120.168 119.800 -0.076 0.000 2.286 159 Q HA 0.346 4.689 4.340 0.005 0.000 0.267 159 Q C 0.677 176.575 176.000 -0.170 0.000 1.028 159 Q CA 0.067 55.766 55.803 -0.174 0.000 0.901 159 Q CB 0.150 28.634 28.738 -0.423 0.000 1.183 159 Q HN 0.611 nan 8.270 nan 0.000 0.392 160 Q N 5.752 125.552 119.800 0.000 0.000 2.286 160 Q HA 0.187 4.530 4.340 0.005 0.000 0.281 160 Q C -1.149 174.980 176.000 0.216 0.000 0.897 160 Q CA -0.229 55.637 55.803 0.106 0.000 1.023 160 Q CB 0.334 29.186 28.738 0.190 0.000 1.151 160 Q HN 0.534 nan 8.270 nan 0.000 0.445 161 W N -1.197 120.120 121.300 0.029 0.000 3.213 161 W HA 0.314 4.977 4.660 0.005 0.000 0.318 161 W C 0.039 176.545 176.519 -0.021 0.000 1.248 161 W CA -0.795 56.559 57.345 0.015 0.000 1.187 161 W CB 0.518 30.001 29.460 0.039 0.000 1.403 161 W HN -0.034 nan 8.180 nan 0.000 0.556 162 T N -1.357 113.300 114.554 0.171 0.000 3.034 162 T HA 0.338 4.692 4.350 0.005 0.000 0.248 162 T C 0.516 175.342 174.700 0.209 0.000 1.040 162 T CA 0.310 62.416 62.100 0.010 0.000 1.107 162 T CB 0.730 69.570 68.868 -0.047 0.000 0.932 162 T HN 0.425 nan 8.240 nan 0.000 0.474 163 R N 0.260 121.044 120.500 0.475 0.000 2.710 163 R HA 0.521 4.864 4.340 0.005 0.000 0.270 163 R C -1.576 174.917 176.300 0.321 0.000 1.021 163 R CA -0.658 55.696 56.100 0.424 0.000 0.889 163 R CB 2.233 32.666 30.300 0.223 0.000 1.243 163 R HN 0.281 nan 8.270 nan 0.000 0.464 164 E N 2.618 122.900 120.200 0.136 0.000 2.199 164 E HA 0.453 4.806 4.350 0.005 0.000 0.269 164 E C -0.820 175.782 176.600 0.004 0.000 0.899 164 E CA -0.664 55.687 56.400 -0.083 0.000 0.772 164 E CB 2.232 31.777 29.700 -0.257 0.000 1.155 164 E HN 0.227 nan 8.360 nan 0.000 0.408 165 L N 2.020 123.249 121.223 0.010 0.000 2.365 165 L HA 0.403 4.746 4.340 0.005 0.000 0.273 165 L C 0.012 176.883 176.870 0.003 0.000 1.000 165 L CA -1.066 53.799 54.840 0.041 0.000 0.819 165 L CB 1.741 43.861 42.059 0.102 0.000 1.284 165 L HN 0.555 nan 8.230 nan 0.000 0.418 166 E N 3.181 123.383 120.200 0.004 0.000 2.373 166 E HA 0.288 4.642 4.350 0.005 0.000 0.267 166 E C -0.862 175.741 176.600 0.005 0.000 1.032 166 E CA -0.050 56.346 56.400 -0.007 0.000 0.889 166 E CB 1.105 30.802 29.700 -0.006 0.000 0.984 166 E HN 0.524 nan 8.360 nan 0.000 0.425 167 M N 4.664 124.264 119.600 -0.001 0.000 2.393 167 M HA 0.416 4.900 4.480 0.005 0.000 0.316 167 M C -1.809 174.494 176.300 0.004 0.000 1.087 167 M CA -0.980 54.327 55.300 0.011 0.000 0.937 167 M CB 1.696 34.304 32.600 0.013 0.000 1.668 167 M HN 0.382 nan 8.290 nan 0.000 0.438 168 V N 5.480 125.397 119.914 0.005 0.000 2.357 168 V HA 0.415 4.539 4.120 0.005 0.000 0.284 168 V C -0.641 175.405 176.094 -0.081 0.000 1.018 168 V CA -0.664 61.619 62.300 -0.028 0.000 0.841 168 V CB 1.575 33.388 31.823 -0.016 0.000 0.991 168 V HN 0.677 nan 8.190 nan 0.000 0.437 169 V N 5.327 125.150 119.914 -0.151 0.000 2.328 169 V HA 0.574 4.697 4.120 0.005 0.000 0.278 169 V C -0.189 175.766 176.094 -0.231 0.000 1.021 169 V CA -0.373 61.729 62.300 -0.330 0.000 0.838 169 V CB 1.224 32.803 31.823 -0.407 0.000 0.999 169 V HN 0.841 nan 8.190 nan 0.000 0.447 170 E N 3.766 123.837 120.200 -0.215 0.000 2.291 170 E HA 0.338 4.691 4.350 0.005 0.000 0.276 170 E C -0.255 176.272 176.600 -0.123 0.000 0.896 170 E CA -0.610 55.709 56.400 -0.135 0.000 0.774 170 E CB 1.739 31.389 29.700 -0.084 0.000 1.227 170 E HN 0.775 nan 8.360 nan 0.000 0.413 171 N N 1.465 120.105 118.700 -0.100 0.000 2.747 171 N HA -0.285 4.458 4.740 0.005 0.000 0.249 171 N C 0.782 176.238 175.510 -0.090 0.000 1.107 171 N CA 0.386 53.393 53.050 -0.072 0.000 0.707 171 N CB -0.713 37.745 38.487 -0.048 0.000 1.054 171 N HN 0.923 nan 8.380 nan 0.000 0.555 172 G N -1.519 107.193 108.800 -0.147 0.000 2.212 172 G HA2 -0.398 3.565 3.960 0.005 0.000 0.266 172 G HA3 -0.398 3.565 3.960 0.005 0.000 0.266 172 G C 0.360 175.126 174.900 -0.224 0.000 0.978 172 G CA 0.552 45.552 45.100 -0.168 0.000 0.632 172 G HN 0.542 nan 8.290 nan 0.000 0.537 173 C N 0.739 119.919 119.300 -0.201 0.000 2.401 173 C HA 0.695 5.158 4.460 0.005 0.000 0.365 173 C C 0.066 174.952 174.990 -0.172 0.000 1.250 173 C CA -0.972 57.990 59.018 -0.093 0.000 2.131 173 C CB -0.164 27.558 27.740 -0.030 0.000 2.445 173 C HN 0.305 nan 8.230 nan 0.000 0.550 174 Y N 1.070 121.406 120.300 0.060 0.000 2.331 174 Y HA 0.489 5.042 4.550 0.005 0.000 0.338 174 Y C 0.759 176.777 175.900 0.197 0.000 0.992 174 Y CA -0.207 57.945 58.100 0.088 0.000 1.121 174 Y CB 1.205 39.692 38.460 0.046 0.000 1.184 174 Y HN 0.572 nan 8.280 nan 0.000 0.469 175 T N 5.073 119.762 114.554 0.224 0.000 2.848 175 T HA 0.572 4.925 4.350 0.005 0.000 0.285 175 T C -0.557 174.227 174.700 0.141 0.000 0.995 175 T CA -0.728 61.493 62.100 0.201 0.000 0.970 175 T CB 0.801 69.730 68.868 0.102 0.000 0.976 175 T HN 0.366 nan 8.240 nan 0.000 0.441 176 L N 2.763 124.081 121.223 0.158 0.000 2.322 176 L HA 0.651 4.994 4.340 0.005 0.000 0.279 176 L C 0.206 177.119 176.870 0.071 0.000 1.036 176 L CA -0.991 53.899 54.840 0.082 0.000 0.807 176 L CB 1.095 43.188 42.059 0.057 0.000 1.226 176 L HN 0.216 nan 8.230 nan 0.000 0.433 177 K N 2.150 122.589 120.400 0.064 0.000 2.292 177 K HA 0.282 4.605 4.320 0.005 0.000 0.257 177 K C -1.238 175.428 176.600 0.110 0.000 0.940 177 K CA -0.578 55.754 56.287 0.075 0.000 0.811 177 K CB 1.850 34.381 32.500 0.051 0.000 1.120 177 K HN 0.494 nan 8.250 nan 0.000 0.428 178 D N 0.703 121.206 120.400 0.172 0.000 2.383 178 D HA 0.080 4.723 4.640 0.005 0.000 0.248 178 D C 0.975 177.358 176.300 0.138 0.000 1.170 178 D CA 0.042 54.209 54.000 0.279 0.000 0.977 178 D CB 1.253 42.370 40.800 0.529 0.000 1.120 178 D HN 0.609 nan 8.370 nan 0.000 0.481 179 T N -1.383 113.188 114.554 0.029 0.000 3.067 179 T HA 0.107 4.460 4.350 0.005 0.000 0.261 179 T C 0.836 175.318 174.700 -0.362 0.000 1.110 179 T CA 0.295 62.263 62.100 -0.221 0.000 1.113 179 T CB -0.360 68.274 68.868 -0.390 0.000 0.917 179 T HN 0.210 nan 8.240 nan 0.000 0.499 180 F N 2.862 122.854 119.950 0.069 0.000 2.397 180 F HA 0.395 4.925 4.527 0.005 0.000 0.331 180 F C 1.274 177.089 175.800 0.026 0.000 1.090 180 F CA -1.382 56.615 58.000 -0.005 0.000 1.065 180 F CB 1.177 40.109 39.000 -0.114 0.000 1.184 180 F HN 0.016 nan 8.300 nan 0.000 0.499 181 D N -0.636 119.870 120.400 0.175 0.000 2.355 181 D HA -0.083 4.560 4.640 0.005 0.000 0.218 181 D C 0.407 176.764 176.300 0.095 0.000 1.004 181 D CA 0.501 54.565 54.000 0.106 0.000 0.880 181 D CB -0.377 40.461 40.800 0.064 0.000 0.911 181 D HN 0.557 nan 8.370 nan 0.000 0.528 182 D N -0.322 120.138 120.400 0.101 0.000 2.673 182 D HA 0.047 4.690 4.640 0.005 0.000 0.278 182 D C -0.030 176.308 176.300 0.064 0.000 1.393 182 D CA -0.372 53.660 54.000 0.054 0.000 0.805 182 D CB -0.468 40.333 40.800 0.003 0.000 1.110 182 D HN 0.102 nan 8.370 nan 0.000 0.476 183 T N -2.936 111.710 114.554 0.153 0.000 2.948 183 T HA 0.714 5.067 4.350 0.005 0.000 0.285 183 T C -0.075 174.793 174.700 0.279 0.000 1.019 183 T CA -0.550 61.705 62.100 0.257 0.000 1.013 183 T CB 1.859 71.000 68.868 0.455 0.000 1.117 183 T HN -0.093 nan 8.240 nan 0.000 0.533 184 T N 1.519 116.273 114.554 0.334 0.000 2.906 184 T HA 0.447 4.800 4.350 0.005 0.000 0.302 184 T C -0.179 174.569 174.700 0.080 0.000 1.002 184 T CA -0.511 61.688 62.100 0.164 0.000 0.988 184 T CB 0.285 69.203 68.868 0.083 0.000 0.972 184 T HN 0.570 nan 8.240 nan 0.000 0.447 185 I N 4.395 124.890 120.570 -0.125 0.000 2.379 185 I HA 0.164 4.337 4.170 0.005 0.000 0.290 185 I C 1.302 177.198 176.117 -0.368 0.000 1.063 185 I CA -0.286 60.739 61.300 -0.458 0.000 1.351 185 I CB 1.048 38.767 38.000 -0.469 0.000 1.410 185 I HN 0.613 nan 8.210 nan 0.000 0.505 186 L N 6.091 127.012 121.223 -0.504 0.000 2.072 186 L HA 0.168 4.511 4.340 0.005 0.000 0.205 186 L C 1.201 177.552 176.870 -0.865 0.000 1.079 186 L CA 0.818 55.201 54.840 -0.762 0.000 0.752 186 L CB -0.414 40.888 42.059 -1.263 0.000 0.906 186 L HN 0.892 nan 8.230 nan 0.000 0.436 187 G N -2.013 106.351 108.800 -0.728 0.000 2.350 187 G HA2 0.110 4.074 3.960 0.005 0.000 0.276 187 G HA3 0.110 4.074 3.960 0.005 0.000 0.276 187 G C -2.320 172.647 174.900 0.111 0.000 1.313 187 G CA -0.442 44.440 45.100 -0.363 0.000 0.903 187 G HN 0.144 nan 8.290 nan 0.000 0.490 188 W N -1.146 120.322 121.300 0.280 0.000 2.820 188 W HA 0.877 5.540 4.660 0.005 0.000 0.350 188 W C -0.359 176.375 176.519 0.358 0.000 1.116 188 W CA -1.355 56.136 57.345 0.244 0.000 1.146 188 W CB 1.326 30.857 29.460 0.119 0.000 1.433 188 W HN 0.501 nan 8.180 nan 0.000 0.561 189 M N 2.642 122.532 119.600 0.484 0.000 2.327 189 M HA 0.532 5.015 4.480 0.005 0.000 0.298 189 M C -1.146 175.344 176.300 0.316 0.000 1.065 189 M CA -0.703 54.778 55.300 0.302 0.000 0.916 189 M CB 2.235 34.909 32.600 0.124 0.000 1.630 189 M HN 0.410 nan 8.290 nan 0.000 0.442 190 I N 1.970 122.751 120.570 0.352 0.000 2.545 190 I HA 0.269 4.442 4.170 0.005 0.000 0.292 190 I C -0.187 176.035 176.117 0.174 0.000 1.040 190 I CA -0.869 60.596 61.300 0.275 0.000 1.068 190 I CB 2.184 40.395 38.000 0.352 0.000 1.251 190 I HN 0.597 nan 8.210 nan 0.000 0.424 191 Q N 5.226 125.083 119.800 0.096 0.000 2.402 191 Q HA 0.280 4.623 4.340 0.005 0.000 0.238 191 Q C -0.844 175.192 176.000 0.062 0.000 1.126 191 Q CA 0.459 56.300 55.803 0.064 0.000 0.904 191 Q CB 0.714 29.469 28.738 0.029 0.000 1.357 191 Q HN 0.832 nan 8.270 nan 0.000 0.491 192 T N 1.481 116.083 114.554 0.080 0.000 2.786 192 T HA 0.259 4.612 4.350 0.005 0.000 0.316 192 T C -0.007 174.732 174.700 0.066 0.000 1.503 192 T CA -0.396 61.749 62.100 0.075 0.000 1.019 192 T CB 1.132 70.064 68.868 0.106 0.000 1.415 192 T HN 0.572 nan 8.240 nan 0.000 0.496 193 E N 0.346 120.575 120.200 0.049 0.000 2.340 193 E HA 0.066 4.419 4.350 0.005 0.000 0.194 193 E C -0.255 176.367 176.600 0.035 0.000 0.996 193 E CA -0.092 56.328 56.400 0.033 0.000 0.869 193 E CB 0.254 29.966 29.700 0.020 0.000 0.835 193 E HN 0.496 nan 8.360 nan 0.000 0.493 194 D N 1.149 121.582 120.400 0.056 0.000 2.363 194 D HA -0.048 4.595 4.640 0.005 0.000 0.263 194 D C 0.883 177.238 176.300 0.092 0.000 1.258 194 D CA 0.309 54.344 54.000 0.058 0.000 0.907 194 D CB 1.013 41.852 40.800 0.066 0.000 1.107 194 D HN 0.062 nan 8.370 nan 0.000 0.495 195 T N 0.539 115.116 114.554 0.039 0.000 3.081 195 T HA -0.015 4.338 4.350 0.005 0.000 0.255 195 T C 0.889 175.618 174.700 0.048 0.000 1.113 195 T CA -0.282 61.832 62.100 0.023 0.000 1.082 195 T CB -0.046 68.807 68.868 -0.026 0.000 0.939 195 T HN 0.454 nan 8.240 nan 0.000 0.506 196 E N 0.832 121.037 120.200 0.009 0.000 2.529 196 E HA -0.083 4.270 4.350 0.005 0.000 0.259 196 E C -0.479 176.162 176.600 0.068 0.000 0.966 196 E CA 0.141 56.462 56.400 -0.133 0.000 0.937 196 E CB -0.096 29.393 29.700 -0.352 0.000 0.923 196 E HN 0.635 nan 8.360 nan 0.000 0.468 197 Y N 0.127 120.524 120.300 0.161 0.000 4.897 197 Y HA -0.364 4.189 4.550 0.005 0.000 0.263 197 Y C 0.781 176.841 175.900 0.266 0.000 0.945 197 Y CA 0.460 58.688 58.100 0.213 0.000 1.858 197 Y CB -1.888 36.708 38.460 0.227 0.000 1.296 197 Y HN 0.571 nan 8.280 nan 0.000 0.490 198 S N 1.460 117.313 115.700 0.255 0.000 2.617 198 S HA 0.624 5.097 4.470 0.005 0.000 0.269 198 S C -0.149 174.346 174.600 -0.175 0.000 1.292 198 S CA -0.728 57.352 58.200 -0.201 0.000 1.010 198 S CB 1.481 64.443 63.200 -0.397 0.000 0.944 198 S HN 0.335 nan 8.310 nan 0.000 0.536 199 L N 0.123 121.169 121.223 -0.294 0.000 2.343 199 L HA 0.686 5.029 4.340 0.005 0.000 0.275 199 L C -2.193 174.555 176.870 -0.203 0.000 1.056 199 L CA -2.180 52.542 54.840 -0.196 0.000 0.804 199 L CB -0.704 41.249 42.059 -0.177 0.000 1.203 199 L HN 0.457 nan 8.230 nan 0.000 0.440 200 P HA 0.041 nan 4.420 nan 0.000 0.270 200 P C -0.868 176.349 177.300 -0.137 0.000 1.223 200 P CA -0.485 62.541 63.100 -0.123 0.000 0.785 200 P CB 0.635 32.284 31.700 -0.084 0.000 0.923 201 Q N 2.169 121.890 119.800 -0.133 0.000 2.300 201 Q HA 0.131 4.474 4.340 0.005 0.000 0.280 201 Q C -2.006 173.939 176.000 -0.091 0.000 1.033 201 Q CA -1.039 54.688 55.803 -0.127 0.000 0.903 201 Q CB -0.390 28.268 28.738 -0.133 0.000 1.195 201 Q HN 0.281 nan 8.270 nan 0.000 0.386 202 P HA 0.028 nan 4.420 nan 0.000 0.271 202 P C -1.450 175.844 177.300 -0.011 0.000 1.233 202 P CA 0.127 63.216 63.100 -0.018 0.000 0.764 202 P CB 0.720 32.435 31.700 0.025 0.000 0.825 203 E N 3.174 123.369 120.200 -0.008 0.000 2.151 203 E HA 0.291 4.644 4.350 0.005 0.000 0.275 203 E C -0.325 176.291 176.600 0.026 0.000 0.936 203 E CA -0.846 55.552 56.400 -0.003 0.000 0.777 203 E CB 0.742 30.431 29.700 -0.018 0.000 1.108 203 E HN 0.287 nan 8.360 nan 0.000 0.401 204 I N 3.263 123.859 120.570 0.044 0.000 2.692 204 I HA 0.098 4.272 4.170 0.005 0.000 0.284 204 I C -0.081 176.063 176.117 0.046 0.000 1.159 204 I CA 0.213 61.545 61.300 0.053 0.000 1.423 204 I CB 0.576 38.614 38.000 0.062 0.000 1.380 204 I HN 0.674 nan 8.210 nan 0.000 0.580 205 A N 5.789 128.634 122.820 0.042 0.000 2.440 205 A HA 0.415 4.738 4.320 0.005 0.000 0.251 205 A C 1.408 179.017 177.584 0.040 0.000 1.089 205 A CA 0.189 52.248 52.037 0.037 0.000 0.779 205 A CB 0.212 19.231 19.000 0.031 0.000 1.022 205 A HN 1.017 nan 8.150 nan 0.000 0.492 206 G N 0.835 109.660 108.800 0.042 0.000 2.556 206 G HA2 -0.280 3.683 3.960 0.005 0.000 0.220 206 G HA3 -0.280 3.683 3.960 0.005 0.000 0.220 206 G C 1.191 176.114 174.900 0.038 0.000 1.156 206 G CA 1.203 46.331 45.100 0.046 0.000 0.766 206 G HN 0.779 nan 8.290 nan 0.000 0.583 207 E N 0.223 120.442 120.200 0.030 0.000 2.160 207 E HA -0.057 4.296 4.350 0.005 0.000 0.195 207 E C 2.589 179.205 176.600 0.026 0.000 0.991 207 E CA 0.508 56.924 56.400 0.026 0.000 0.810 207 E CB -0.247 29.466 29.700 0.022 0.000 0.742 207 E HN 0.497 nan 8.360 nan 0.000 0.466 208 L N 0.172 121.412 121.223 0.029 0.000 2.551 208 L HA -0.044 4.299 4.340 0.005 0.000 0.228 208 L C 1.879 178.762 176.870 0.023 0.000 1.153 208 L CA 0.230 55.087 54.840 0.028 0.000 0.851 208 L CB -0.057 42.022 42.059 0.034 0.000 0.959 208 L HN 0.048 nan 8.230 nan 0.000 0.451 209 L N -0.977 120.260 121.223 0.025 0.000 2.607 209 L HA 0.111 4.454 4.340 0.005 0.000 0.228 209 L C 0.610 177.490 176.870 0.017 0.000 1.123 209 L CA -0.143 54.707 54.840 0.017 0.000 0.890 209 L CB -0.137 41.941 42.059 0.031 0.000 1.103 209 L HN 0.057 nan 8.230 nan 0.000 0.468 210 K N 1.730 122.142 120.400 0.020 0.000 2.382 210 K HA 0.312 4.635 4.320 0.005 0.000 0.275 210 K C -0.143 176.468 176.600 0.018 0.000 1.009 210 K CA 0.082 56.381 56.287 0.021 0.000 0.970 210 K CB 1.646 34.159 32.500 0.022 0.000 0.934 210 K HN 0.080 nan 8.250 nan 0.000 0.479 211 I N 2.117 122.699 120.570 0.020 0.000 2.331 211 I HA 0.070 4.243 4.170 0.005 0.000 0.292 211 I C 0.343 176.510 176.117 0.083 0.000 0.998 211 I CA -0.322 60.995 61.300 0.029 0.000 1.267 211 I CB 1.419 39.403 38.000 -0.027 0.000 1.386 211 I HN 0.551 nan 8.210 nan 0.000 0.476 212 S N 3.732 119.497 115.700 0.108 0.000 2.542 212 S HA 0.740 5.213 4.470 0.005 0.000 0.293 212 S C -0.185 174.454 174.600 0.065 0.000 1.089 212 S CA -0.873 57.382 58.200 0.091 0.000 0.961 212 S CB 1.814 65.026 63.200 0.019 0.000 1.062 212 S HN 0.733 nan 8.310 nan 0.000 0.483 213 G N 0.293 109.089 108.800 -0.007 0.000 2.539 213 G HA2 0.643 4.606 3.960 0.005 0.000 0.258 213 G HA3 0.643 4.606 3.960 0.005 0.000 0.258 213 G C -0.311 174.304 174.900 -0.475 0.000 1.202 213 G CA -0.324 44.593 45.100 -0.305 0.000 0.851 213 G HN 1.369 nan 8.290 nan 0.000 0.556 214 A N 1.316 123.593 122.820 -0.905 0.000 2.606 214 A HA 0.859 5.182 4.320 0.005 0.000 0.293 214 A C -0.443 176.676 177.584 -0.774 0.000 1.082 214 A CA -0.787 50.740 52.037 -0.851 0.000 0.685 214 A CB 1.684 19.936 19.000 -1.247 0.000 1.284 214 A HN 0.655 nan 8.150 nan 0.000 0.408 215 R N 0.426 120.783 120.500 -0.238 0.000 2.750 215 R HA 0.638 4.981 4.340 0.005 0.000 0.281 215 R C -1.261 175.242 176.300 0.339 0.000 0.972 215 R CA -0.725 55.434 56.100 0.098 0.000 0.912 215 R CB 1.885 32.232 30.300 0.078 0.000 1.187 215 R HN 0.691 nan 8.270 nan 0.000 0.464 216 L N 1.774 123.248 121.223 0.418 0.000 2.399 216 L HA 0.296 4.639 4.340 0.005 0.000 0.265 216 L C 0.566 177.572 176.870 0.226 0.000 1.089 216 L CA -0.601 54.435 54.840 0.327 0.000 0.802 216 L CB 1.202 43.454 42.059 0.322 0.000 1.180 216 L HN 0.617 nan 8.230 nan 0.000 0.454 217 E N 0.897 121.171 120.200 0.123 0.000 2.324 217 E HA -0.000 4.353 4.350 0.005 0.000 0.271 217 E C -0.454 176.181 176.600 0.059 0.000 1.028 217 E CA -0.519 55.914 56.400 0.055 0.000 0.890 217 E CB 0.438 30.143 29.700 0.008 0.000 1.004 217 E HN 0.336 nan 8.360 nan 0.000 0.431 218 N N 3.746 122.414 118.700 -0.053 0.000 2.448 218 N HA -0.002 4.741 4.740 0.005 0.000 0.250 218 N C -0.536 174.897 175.510 -0.128 0.000 1.136 218 N CA -0.049 52.858 53.050 -0.238 0.000 0.953 218 N CB 0.499 38.660 38.487 -0.542 0.000 1.251 218 N HN 0.480 nan 8.380 nan 0.000 0.502 219 K N 1.610 121.994 120.400 -0.027 0.000 2.455 219 K HA 0.166 4.489 4.320 0.005 0.000 0.206 219 K C 0.425 177.019 176.600 -0.011 0.000 1.027 219 K CA -0.062 56.205 56.287 -0.034 0.000 1.113 219 K CB 0.345 32.820 32.500 -0.042 0.000 0.850 219 K HN 0.696 nan 8.250 nan 0.000 0.503 220 G N 2.151 110.977 108.800 0.043 0.000 2.160 220 G HA2 -0.299 3.664 3.960 0.005 0.000 0.244 220 G HA3 -0.299 3.664 3.960 0.005 0.000 0.244 220 G C 0.560 175.493 174.900 0.056 0.000 1.022 220 G CA 0.337 45.500 45.100 0.104 0.000 0.741 220 G HN 0.338 nan 8.290 nan 0.000 0.508 221 Q N -0.869 118.896 119.800 -0.059 0.000 2.226 221 Q HA 0.166 4.509 4.340 0.005 0.000 0.204 221 Q C 1.593 177.167 176.000 -0.711 0.000 0.975 221 Q CA 1.542 57.047 55.803 -0.497 0.000 0.866 221 Q CB -0.108 28.083 28.738 -0.911 0.000 0.915 221 Q HN 0.723 nan 8.270 nan 0.000 0.440 222 F N -0.198 119.679 119.950 -0.121 0.000 2.708 222 F HA 0.224 4.754 4.527 0.005 0.000 0.300 222 F C -0.082 175.785 175.800 0.112 0.000 1.118 222 F CA -0.577 57.275 58.000 -0.246 0.000 1.307 222 F CB 0.710 39.276 39.000 -0.723 0.000 0.986 222 F HN -0.140 nan 8.300 nan 0.000 0.522 223 D N 1.229 121.792 120.400 0.272 0.000 3.168 223 D HA 0.431 5.075 4.640 0.005 0.000 0.255 223 D C 0.795 177.222 176.300 0.212 0.000 1.314 223 D CA 0.392 54.541 54.000 0.248 0.000 0.900 223 D CB 0.353 41.264 40.800 0.185 0.000 1.072 223 D HN 0.438 nan 8.370 nan 0.000 0.487 224 G N -0.437 108.534 108.800 0.284 0.000 2.360 224 G HA2 0.042 4.005 3.960 0.005 0.000 0.276 224 G HA3 0.042 4.005 3.960 0.005 0.000 0.276 224 G C -1.068 173.987 174.900 0.258 0.000 1.256 224 G CA -0.908 44.323 45.100 0.217 0.000 0.890 224 G HN -0.013 nan 8.290 nan 0.000 0.486 225 K N 2.450 122.937 120.400 0.144 0.000 2.155 225 K HA 0.120 4.443 4.320 0.005 0.000 0.240 225 K C 1.072 177.716 176.600 0.074 0.000 1.193 225 K CA -0.395 55.922 56.287 0.049 0.000 1.104 225 K CB 0.031 32.535 32.500 0.008 0.000 1.558 225 K HN 0.622 nan 8.250 nan 0.000 0.313 226 W N 2.465 123.821 121.300 0.093 0.000 2.678 226 W HA 0.040 4.703 4.660 0.005 0.000 0.256 226 W C -0.227 176.344 176.519 0.087 0.000 1.280 226 W CA -0.257 57.139 57.345 0.086 0.000 1.345 226 W CB -0.338 29.218 29.460 0.160 0.000 1.118 226 W HN 0.126 nan 8.180 nan 0.000 0.629 227 L N 2.771 123.660 121.223 -0.557 0.000 2.326 227 L HA 0.122 4.465 4.340 0.005 0.000 0.278 227 L C 0.230 176.985 176.870 -0.192 0.000 1.092 227 L CA -0.385 54.169 54.840 -0.478 0.000 0.810 227 L CB 0.621 42.265 42.059 -0.691 0.000 1.153 227 L HN -0.306 nan 8.230 nan 0.000 0.439 228 D N 3.223 123.568 120.400 -0.092 0.000 2.342 228 D HA -0.016 4.628 4.640 0.005 0.000 0.260 228 D C 0.630 176.903 176.300 -0.044 0.000 1.278 228 D CA 0.218 54.193 54.000 -0.041 0.000 0.910 228 D CB 0.715 41.511 40.800 -0.008 0.000 1.079 228 D HN 0.478 nan 8.370 nan 0.000 0.496 229 E N 2.779 122.955 120.200 -0.039 0.000 2.463 229 E HA -0.037 4.316 4.350 0.005 0.000 0.191 229 E C 1.053 177.646 176.600 -0.012 0.000 1.083 229 E CA 0.083 56.466 56.400 -0.028 0.000 0.872 229 E CB 0.480 30.163 29.700 -0.028 0.000 0.966 229 E HN 0.321 nan 8.360 nan 0.000 0.491 230 K N 0.648 121.043 120.400 -0.009 0.000 2.211 230 K HA -0.004 4.319 4.320 0.005 0.000 0.201 230 K C 0.608 177.209 176.600 0.001 0.000 1.052 230 K CA 0.321 56.606 56.287 -0.002 0.000 0.973 230 K CB 0.043 32.543 32.500 -0.001 0.000 0.766 230 K HN 0.039 nan 8.250 nan 0.000 0.466 231 D N 1.956 122.357 120.400 0.001 0.000 2.325 231 D HA 0.075 4.718 4.640 0.005 0.000 0.251 231 D C -1.912 174.397 176.300 0.015 0.000 1.196 231 D CA -2.300 51.705 54.000 0.008 0.000 0.866 231 D CB 1.624 42.429 40.800 0.009 0.000 1.101 231 D HN -0.183 nan 8.370 nan 0.000 0.476 232 P HA -0.167 nan 4.420 nan 0.000 0.216 232 P C 1.615 178.948 177.300 0.055 0.000 1.150 232 P CA 0.358 63.477 63.100 0.032 0.000 0.843 232 P CB 0.297 32.014 31.700 0.028 0.000 0.787 233 L N -0.240 121.022 121.223 0.065 0.000 1.994 233 L HA -0.186 4.157 4.340 0.005 0.000 0.208 233 L C 2.178 179.107 176.870 0.099 0.000 1.071 233 L CA 2.133 57.039 54.840 0.110 0.000 0.745 233 L CB -1.563 40.571 42.059 0.125 0.000 0.892 233 L HN 0.086 nan 8.230 nan 0.000 0.431 234 Q N -1.027 118.798 119.800 0.043 0.000 2.170 234 Q HA -0.190 4.153 4.340 0.005 0.000 0.203 234 Q C 1.950 177.963 176.000 0.022 0.000 0.976 234 Q CA 1.113 56.914 55.803 -0.003 0.000 0.858 234 Q CB -0.044 28.660 28.738 -0.056 0.000 0.907 234 Q HN 0.507 nan 8.270 nan 0.000 0.433 235 N N 0.364 119.078 118.700 0.024 0.000 2.142 235 N HA -0.113 4.630 4.740 0.005 0.000 0.186 235 N C 1.668 177.202 175.510 0.040 0.000 1.023 235 N CA 1.257 54.318 53.050 0.018 0.000 0.852 235 N CB -0.016 38.481 38.487 0.016 0.000 0.998 235 N HN 0.221 nan 8.380 nan 0.000 0.424 236 A N 0.096 122.968 122.820 0.086 0.000 1.933 236 A HA -0.192 4.131 4.320 0.005 0.000 0.218 236 A C 2.120 179.781 177.584 0.127 0.000 1.175 236 A CA 1.066 53.185 52.037 0.137 0.000 0.628 236 A CB -0.980 18.151 19.000 0.218 0.000 0.814 236 A HN 0.488 nan 8.150 nan 0.000 0.444 237 Y N 0.545 120.774 120.300 -0.119 0.000 2.145 237 Y HA -0.184 4.369 4.550 0.005 0.000 0.286 237 Y C 2.344 178.097 175.900 -0.244 0.000 1.145 237 Y CA 2.018 59.841 58.100 -0.461 0.000 1.148 237 Y CB -0.299 37.819 38.460 -0.571 0.000 0.981 237 Y HN 0.067 nan 8.280 nan 0.000 0.507 238 V N 0.740 120.603 119.914 -0.084 0.000 2.343 238 V HA -0.320 3.803 4.120 0.005 0.000 0.247 238 V C 2.337 178.353 176.094 -0.130 0.000 1.051 238 V CA 2.106 64.335 62.300 -0.119 0.000 1.036 238 V CB -0.695 31.093 31.823 -0.059 0.000 0.654 238 V HN 0.449 nan 8.190 nan 0.000 0.451 239 Q N -0.214 119.543 119.800 -0.071 0.000 2.181 239 Q HA -0.146 4.197 4.340 0.005 0.000 0.205 239 Q C 2.256 178.222 176.000 -0.056 0.000 0.980 239 Q CA 1.913 57.691 55.803 -0.041 0.000 0.862 239 Q CB -0.413 28.325 28.738 -0.001 0.000 0.905 239 Q HN 0.690 nan 8.270 nan 0.000 0.429 240 A N 0.177 122.944 122.820 -0.088 0.000 2.095 240 A HA 0.030 4.353 4.320 0.005 0.000 0.212 240 A C 1.480 178.960 177.584 -0.175 0.000 1.162 240 A CA 0.485 52.478 52.037 -0.073 0.000 0.753 240 A CB 0.301 19.350 19.000 0.082 0.000 0.840 240 A HN 0.231 nan 8.150 nan 0.000 0.468 241 N N -1.364 117.129 118.700 -0.344 0.000 2.211 241 N HA 0.264 5.007 4.740 0.005 0.000 0.216 241 N C 0.807 176.199 175.510 -0.197 0.000 1.240 241 N CA 0.915 53.757 53.050 -0.348 0.000 0.895 241 N CB 1.292 39.338 38.487 -0.736 0.000 1.102 241 N HN 0.551 nan 8.380 nan 0.000 0.498 242 G N 1.573 110.272 108.800 -0.168 0.000 2.760 242 G HA2 -0.225 3.738 3.960 0.005 0.000 0.246 242 G HA3 -0.225 3.738 3.960 0.005 0.000 0.246 242 G C -0.561 174.315 174.900 -0.039 0.000 1.359 242 G CA -0.636 44.422 45.100 -0.070 0.000 0.861 242 G HN 0.105 nan 8.290 nan 0.000 0.541 243 Q N 0.036 119.829 119.800 -0.012 0.000 3.141 243 Q HA 0.339 4.682 4.340 0.005 0.000 0.304 243 Q C 0.673 176.788 176.000 0.192 0.000 1.305 243 Q CA 0.857 56.633 55.803 -0.044 0.000 0.929 243 Q CB -0.345 28.367 28.738 -0.044 0.000 1.701 243 Q HN 1.602 nan 8.270 nan 0.000 0.483 244 V N -2.066 117.988 119.914 0.234 0.000 3.012 244 V HA 0.512 4.635 4.120 0.005 0.000 0.307 244 V C 0.239 176.537 176.094 0.340 0.000 1.166 244 V CA -0.734 61.755 62.300 0.314 0.000 0.974 244 V CB 1.877 33.809 31.823 0.182 0.000 1.040 244 V HN 0.327 nan 8.190 nan 0.000 0.428 245 I N 0.611 121.351 120.570 0.283 0.000 3.812 245 I HA 0.573 4.746 4.170 0.005 0.000 0.292 245 I C 0.431 176.597 176.117 0.083 0.000 1.206 245 I CA 0.517 61.925 61.300 0.181 0.000 1.370 245 I CB 0.541 38.587 38.000 0.077 0.000 1.328 245 I HN 0.865 nan 8.210 nan 0.000 0.453 246 N N -0.482 118.248 118.700 0.050 0.000 3.364 246 N HA 0.166 4.909 4.740 0.005 0.000 0.294 246 N C -0.157 175.378 175.510 0.041 0.000 1.562 246 N CA -0.746 52.324 53.050 0.034 0.000 0.862 246 N CB 0.439 38.929 38.487 0.006 0.000 1.691 246 N HN -0.004 nan 8.380 nan 0.000 0.572 247 Q N -1.310 118.512 119.800 0.037 0.000 2.291 247 Q HA -0.010 4.333 4.340 0.005 0.000 0.205 247 Q C -0.715 175.320 176.000 0.059 0.000 0.970 247 Q CA 1.359 57.189 55.803 0.045 0.000 0.876 247 Q CB -0.089 28.667 28.738 0.031 0.000 0.935 247 Q HN 0.566 nan 8.270 nan 0.000 0.455 248 D N -0.930 119.500 120.400 0.051 0.000 2.328 248 D HA 0.095 4.739 4.640 0.005 0.000 0.243 248 D C -2.180 174.161 176.300 0.069 0.000 1.324 248 D CA -1.837 52.226 54.000 0.104 0.000 0.966 248 D CB 1.253 42.126 40.800 0.122 0.000 1.324 248 D HN -0.163 nan 8.370 nan 0.000 0.549 249 P HA -0.111 nan 4.420 nan 0.000 0.231 249 P C 0.733 177.904 177.300 -0.216 0.000 1.158 249 P CA 0.591 63.473 63.100 -0.363 0.000 0.763 249 P CB 0.034 31.191 31.700 -0.905 0.000 0.805 250 Y N -1.429 118.974 120.300 0.171 0.000 2.511 250 Y HA 0.080 4.633 4.550 0.005 0.000 0.279 250 Y C 1.443 177.543 175.900 0.333 0.000 1.157 250 Y CA 0.057 58.334 58.100 0.296 0.000 1.300 250 Y CB -0.479 38.116 38.460 0.224 0.000 1.052 250 Y HN 0.093 nan 8.280 nan 0.000 0.529 251 H N 0.001 119.229 119.070 0.262 0.000 2.463 251 H HA 0.422 4.981 4.556 0.005 0.000 0.332 251 H C -0.816 174.583 175.328 0.119 0.000 1.127 251 H CA -1.017 55.112 56.048 0.135 0.000 1.238 251 H CB 0.679 30.422 29.762 -0.033 0.000 1.478 251 H HN 0.046 nan 8.280 nan 0.000 0.499 252 Y N 1.776 121.718 120.300 -0.597 0.000 2.689 252 Y HA 0.510 5.063 4.550 0.005 0.000 0.333 252 Y C -2.032 173.485 175.900 -0.637 0.000 1.190 252 Y CA -1.522 56.325 58.100 -0.420 0.000 1.063 252 Y CB 0.658 39.017 38.460 -0.168 0.000 1.294 252 Y HN 0.525 nan 8.280 nan 0.000 0.466 253 Y N 0.004 120.247 120.300 -0.096 0.000 2.598 253 Y HA 0.732 5.285 4.550 0.005 0.000 0.340 253 Y C 0.025 175.882 175.900 -0.072 0.000 1.038 253 Y CA -0.586 57.424 58.100 -0.150 0.000 1.100 253 Y CB 2.604 41.033 38.460 -0.051 0.000 1.281 253 Y HN 0.805 nan 8.280 nan 0.000 0.488 254 T N 0.194 114.796 114.554 0.080 0.000 2.906 254 T HA 0.861 5.214 4.350 0.005 0.000 0.295 254 T C -0.953 173.761 174.700 0.024 0.000 1.075 254 T CA -0.795 61.332 62.100 0.045 0.000 1.005 254 T CB 1.728 70.608 68.868 0.020 0.000 1.136 254 T HN 0.692 nan 8.240 nan 0.000 0.498 255 I N -1.449 119.114 120.570 -0.012 0.000 2.894 255 I HA 0.712 4.885 4.170 0.005 0.000 0.302 255 I C -0.012 176.090 176.117 -0.025 0.000 1.188 255 I CA -1.214 60.074 61.300 -0.020 0.000 1.014 255 I CB 2.380 40.356 38.000 -0.040 0.000 1.242 255 I HN 0.873 nan 8.210 nan 0.000 0.430 256 T N -0.874 113.678 114.554 -0.004 0.000 2.860 256 T HA 0.169 4.522 4.350 0.005 0.000 0.299 256 T C 0.801 175.511 174.700 0.017 0.000 1.045 256 T CA 0.063 62.171 62.100 0.015 0.000 1.071 256 T CB 1.545 70.430 68.868 0.028 0.000 0.985 256 T HN 0.936 nan 8.240 nan 0.000 0.537 257 E N 0.738 120.971 120.200 0.054 0.000 2.204 257 E HA -0.145 4.208 4.350 0.005 0.000 0.195 257 E C 1.989 178.639 176.600 0.084 0.000 0.990 257 E CA 1.116 57.575 56.400 0.098 0.000 0.821 257 E CB -0.219 29.574 29.700 0.154 0.000 0.750 257 E HN 0.733 nan 8.360 nan 0.000 0.477 258 S N 0.224 115.967 115.700 0.072 0.000 2.383 258 S HA -0.118 4.355 4.470 0.005 0.000 0.227 258 S C 1.975 176.598 174.600 0.037 0.000 1.026 258 S CA 0.891 59.136 58.200 0.074 0.000 0.981 258 S CB -0.106 63.135 63.200 0.068 0.000 0.818 258 S HN 0.470 nan 8.310 nan 0.000 0.472 259 A N 1.420 124.247 122.820 0.012 0.000 1.898 259 A HA -0.113 4.210 4.320 0.005 0.000 0.216 259 A C 2.048 179.593 177.584 -0.064 0.000 1.181 259 A CA 1.408 53.429 52.037 -0.025 0.000 0.620 259 A CB -0.546 18.436 19.000 -0.029 0.000 0.819 259 A HN 0.524 nan 8.150 nan 0.000 0.442 260 E N -0.276 119.896 120.200 -0.047 0.000 2.085 260 E HA -0.270 4.083 4.350 0.005 0.000 0.194 260 E C 2.169 178.678 176.600 -0.152 0.000 0.994 260 E CA 1.550 57.901 56.400 -0.081 0.000 0.801 260 E CB -0.150 29.551 29.700 0.000 0.000 0.743 260 E HN 0.759 nan 8.360 nan 0.000 0.453 261 Q N -0.007 119.748 119.800 -0.074 0.000 2.170 261 Q HA -0.212 4.131 4.340 0.005 0.000 0.203 261 Q C 1.946 177.879 176.000 -0.112 0.000 0.976 261 Q CA 1.557 57.307 55.803 -0.089 0.000 0.858 261 Q CB -0.015 28.737 28.738 0.022 0.000 0.907 261 Q HN 0.142 nan 8.270 nan 0.000 0.433 262 E N 0.508 120.657 120.200 -0.086 0.000 2.152 262 E HA -0.102 4.251 4.350 0.005 0.000 0.192 262 E C 1.607 178.082 176.600 -0.208 0.000 0.983 262 E CA 0.735 57.087 56.400 -0.080 0.000 0.818 262 E CB -0.032 29.647 29.700 -0.036 0.000 0.758 262 E HN 0.298 nan 8.360 nan 0.000 0.467 263 L N -0.039 121.017 121.223 -0.279 0.000 2.056 263 L HA -0.110 4.233 4.340 0.005 0.000 0.207 263 L C 2.372 179.020 176.870 -0.369 0.000 1.078 263 L CA 0.928 55.526 54.840 -0.404 0.000 0.749 263 L CB -0.356 41.505 42.059 -0.332 0.000 0.901 263 L HN 0.207 nan 8.230 nan 0.000 0.433 264 I N -0.581 119.710 120.570 -0.465 0.000 2.179 264 I HA -0.272 3.901 4.170 0.005 0.000 0.242 264 I C 2.646 178.647 176.117 -0.192 0.000 1.088 264 I CA 1.066 62.051 61.300 -0.523 0.000 1.357 264 I CB -0.322 37.298 38.000 -0.633 0.000 1.051 264 I HN 0.181 nan 8.210 nan 0.000 0.409 265 K N 1.018 121.329 120.400 -0.149 0.000 2.032 265 K HA -0.148 4.175 4.320 0.005 0.000 0.209 265 K C 2.208 178.803 176.600 -0.008 0.000 1.048 265 K CA 1.807 58.078 56.287 -0.027 0.000 0.927 265 K CB -0.659 31.855 32.500 0.024 0.000 0.712 265 K HN 0.341 nan 8.250 nan 0.000 0.441 266 A N 0.629 123.335 122.820 -0.190 0.000 1.933 266 A HA -0.138 4.185 4.320 0.005 0.000 0.218 266 A C 2.361 179.869 177.584 -0.126 0.000 1.175 266 A CA 2.227 54.008 52.037 -0.427 0.000 0.628 266 A CB -0.906 17.474 19.000 -1.033 0.000 0.814 266 A HN 0.347 nan 8.150 nan 0.000 0.444 267 T N 0.517 115.046 114.554 -0.042 0.000 2.708 267 T HA -0.165 4.188 4.350 0.005 0.000 0.266 267 T C 1.757 176.519 174.700 0.104 0.000 1.037 267 T CA 1.812 63.965 62.100 0.088 0.000 1.146 267 T CB -0.553 68.426 68.868 0.186 0.000 0.865 267 T HN 0.707 nan 8.240 nan 0.000 0.435 268 N N 0.353 119.128 118.700 0.126 0.000 2.120 268 N HA -0.102 4.641 4.740 0.005 0.000 0.188 268 N C 2.060 177.725 175.510 0.258 0.000 1.024 268 N CA 0.955 54.119 53.050 0.191 0.000 0.852 268 N CB -0.031 38.559 38.487 0.172 0.000 1.003 268 N HN 0.504 nan 8.380 nan 0.000 0.424 269 E N 1.181 121.519 120.200 0.230 0.000 2.046 269 E HA -0.093 4.260 4.350 0.005 0.000 0.190 269 E C 1.904 178.528 176.600 0.040 0.000 0.982 269 E CA 0.622 57.148 56.400 0.211 0.000 0.800 269 E CB 0.086 29.925 29.700 0.232 0.000 0.756 269 E HN 0.290 nan 8.360 nan 0.000 0.449 270 L N 0.017 121.264 121.223 0.040 0.000 2.201 270 L HA -0.152 4.191 4.340 0.005 0.000 0.212 270 L C 2.539 179.489 176.870 0.132 0.000 1.105 270 L CA 1.193 56.045 54.840 0.020 0.000 0.775 270 L CB -0.420 41.645 42.059 0.010 0.000 0.913 270 L HN 0.292 nan 8.230 nan 0.000 0.440 271 H N 0.238 119.324 119.070 0.027 0.000 2.353 271 H HA -0.148 4.411 4.556 0.005 0.000 0.300 271 H C 2.172 177.658 175.328 0.263 0.000 1.090 271 H CA 1.676 57.790 56.048 0.110 0.000 1.327 271 H CB 0.029 29.862 29.762 0.120 0.000 1.383 271 H HN 0.151 nan 8.280 nan 0.000 0.508 272 L N -0.559 120.782 121.223 0.197 0.000 2.093 272 L HA -0.162 4.181 4.340 0.005 0.000 0.208 272 L C 2.520 179.455 176.870 0.109 0.000 1.085 272 L CA 1.311 56.263 54.840 0.186 0.000 0.755 272 L CB -0.266 41.986 42.059 0.322 0.000 0.904 272 L HN 0.404 nan 8.230 nan 0.000 0.435 273 M N -2.023 117.556 119.600 -0.036 0.000 2.159 273 M HA -0.233 4.250 4.480 0.005 0.000 0.263 273 M C 2.138 178.486 176.300 0.079 0.000 1.063 273 M CA 1.855 57.054 55.300 -0.169 0.000 1.110 273 M CB -0.351 31.835 32.600 -0.689 0.000 1.374 273 M HN 0.111 nan 8.290 nan 0.000 0.411 274 Y N 0.223 120.527 120.300 0.007 0.000 2.293 274 Y HA -0.115 4.438 4.550 0.005 0.000 0.291 274 Y C 2.054 177.995 175.900 0.068 0.000 1.137 274 Y CA 1.241 59.391 58.100 0.084 0.000 1.202 274 Y CB -0.230 38.345 38.460 0.190 0.000 0.990 274 Y HN 0.138 nan 8.280 nan 0.000 0.537 275 L N -1.328 120.017 121.223 0.202 0.000 2.156 275 L HA -0.219 4.124 4.340 0.005 0.000 0.208 275 L C 2.309 179.294 176.870 0.192 0.000 1.095 275 L CA 1.485 56.430 54.840 0.175 0.000 0.770 275 L CB -0.488 41.698 42.059 0.212 0.000 0.914 275 L HN 0.290 nan 8.230 nan 0.000 0.439 276 H N 0.155 119.306 119.070 0.134 0.000 2.357 276 H HA -0.079 4.480 4.556 0.005 0.000 0.301 276 H C 2.112 177.469 175.328 0.050 0.000 1.082 276 H CA 1.486 57.616 56.048 0.136 0.000 1.342 276 H CB 0.160 30.053 29.762 0.218 0.000 1.389 276 H HN 0.238 nan 8.280 nan 0.000 0.511 277 A N -0.721 122.122 122.820 0.037 0.000 1.969 277 A HA -0.120 4.203 4.320 0.005 0.000 0.218 277 A C 2.436 179.900 177.584 -0.199 0.000 1.169 277 A CA 1.760 53.736 52.037 -0.102 0.000 0.635 277 A CB -0.881 18.108 19.000 -0.018 0.000 0.810 277 A HN 0.545 nan 8.150 nan 0.000 0.445 278 T N -0.196 114.215 114.554 -0.238 0.000 2.708 278 T HA -0.152 4.201 4.350 0.005 0.000 0.266 278 T C 1.689 175.968 174.700 -0.702 0.000 1.037 278 T CA 1.747 63.543 62.100 -0.507 0.000 1.146 278 T CB -0.406 68.049 68.868 -0.688 0.000 0.865 278 T HN 0.671 nan 8.240 nan 0.000 0.435 279 D N 0.792 120.872 120.400 -0.533 0.000 2.104 279 D HA -0.123 4.521 4.640 0.005 0.000 0.194 279 D C 2.222 178.366 176.300 -0.262 0.000 0.994 279 D CA 1.078 54.919 54.000 -0.265 0.000 0.830 279 D CB 0.052 40.941 40.800 0.148 0.000 0.959 279 D HN 0.074 nan 8.370 nan 0.000 0.452 280 K N 0.117 120.342 120.400 -0.293 0.000 2.032 280 K HA -0.093 4.230 4.320 0.005 0.000 0.209 280 K C 2.298 178.756 176.600 -0.238 0.000 1.048 280 K CA 0.629 56.761 56.287 -0.258 0.000 0.927 280 K CB -0.804 31.518 32.500 -0.297 0.000 0.712 280 K HN 0.182 nan 8.250 nan 0.000 0.441 281 V N 1.971 121.716 119.914 -0.282 0.000 2.287 281 V HA -0.212 3.911 4.120 0.005 0.000 0.248 281 V C 2.352 178.214 176.094 -0.385 0.000 1.053 281 V CA 1.515 63.627 62.300 -0.314 0.000 1.027 281 V CB -0.403 31.161 31.823 -0.432 0.000 0.646 281 V HN 0.235 nan 8.190 nan 0.000 0.447 282 L N -0.764 120.198 121.223 -0.434 0.000 2.551 282 L HA -0.073 4.270 4.340 0.005 0.000 0.228 282 L C 2.116 178.846 176.870 -0.234 0.000 1.153 282 L CA 1.094 55.703 54.840 -0.385 0.000 0.851 282 L CB -0.407 41.384 42.059 -0.448 0.000 0.959 282 L HN 0.299 nan 8.230 nan 0.000 0.451 283 K N -0.900 119.385 120.400 -0.191 0.000 2.374 283 K HA 0.038 4.361 4.320 0.005 0.000 0.196 283 K C -0.168 176.364 176.600 -0.113 0.000 1.023 283 K CA 0.039 56.258 56.287 -0.113 0.000 1.103 283 K CB 0.396 32.847 32.500 -0.081 0.000 0.848 283 K HN -0.010 nan 8.250 nan 0.000 0.528 284 D N 0.242 120.547 120.400 -0.158 0.000 2.476 284 D HA 0.076 4.719 4.640 0.005 0.000 0.251 284 D C -0.151 176.044 176.300 -0.176 0.000 1.291 284 D CA -0.336 53.586 54.000 -0.130 0.000 0.939 284 D CB 1.321 42.058 40.800 -0.104 0.000 1.221 284 D HN -0.191 nan 8.370 nan 0.000 0.567 285 D N 2.177 122.496 120.400 -0.135 0.000 2.172 285 D HA -0.176 4.467 4.640 0.005 0.000 0.196 285 D C 1.256 177.483 176.300 -0.122 0.000 0.999 285 D CA 1.190 55.101 54.000 -0.150 0.000 0.856 285 D CB 0.137 40.973 40.800 0.060 0.000 0.934 285 D HN 0.575 nan 8.370 nan 0.000 0.453 286 N N -0.504 118.161 118.700 -0.058 0.000 2.188 286 N HA -0.055 4.688 4.740 0.005 0.000 0.184 286 N C 1.784 177.264 175.510 -0.049 0.000 1.018 286 N CA 0.370 53.401 53.050 -0.031 0.000 0.858 286 N CB 0.066 38.540 38.487 -0.021 0.000 0.989 286 N HN 0.157 nan 8.380 nan 0.000 0.426 287 L N 0.163 121.344 121.223 -0.070 0.000 2.131 287 L HA -0.043 4.300 4.340 0.005 0.000 0.206 287 L C 2.128 179.009 176.870 0.018 0.000 1.087 287 L CA 0.300 55.136 54.840 -0.007 0.000 0.767 287 L CB -0.204 41.846 42.059 -0.016 0.000 0.917 287 L HN 0.213 nan 8.230 nan 0.000 0.441 288 L N 0.637 121.715 121.223 -0.241 0.000 2.046 288 L HA -0.120 4.223 4.340 0.005 0.000 0.208 288 L C 2.650 179.377 176.870 -0.238 0.000 1.077 288 L CA 1.958 56.505 54.840 -0.488 0.000 0.747 288 L CB -0.833 40.578 42.059 -1.079 0.000 0.896 288 L HN 0.151 nan 8.230 nan 0.000 0.432 289 A N -0.687 122.049 122.820 -0.141 0.000 2.032 289 A HA -0.196 4.127 4.320 0.005 0.000 0.221 289 A C 2.226 179.896 177.584 0.143 0.000 1.165 289 A CA 1.847 53.999 52.037 0.191 0.000 0.645 289 A CB -0.897 18.229 19.000 0.210 0.000 0.807 289 A HN 0.532 nan 8.150 nan 0.000 0.453 290 L N -2.131 119.138 121.223 0.076 0.000 2.275 290 L HA -0.123 4.220 4.340 0.005 0.000 0.215 290 L C 1.825 178.648 176.870 -0.079 0.000 1.119 290 L CA 0.774 55.550 54.840 -0.107 0.000 0.790 290 L CB -0.462 41.439 42.059 -0.262 0.000 0.919 290 L HN 0.371 nan 8.230 nan 0.000 0.443 291 F N -0.498 119.451 119.950 -0.002 0.000 2.780 291 F HA -0.029 4.501 4.527 0.006 0.000 0.299 291 F C 0.758 176.619 175.800 0.102 0.000 1.146 291 F CA -0.019 58.014 58.000 0.054 0.000 1.428 291 F CB -0.428 38.583 39.000 0.018 0.000 1.115 291 F HN 0.062 nan 8.300 nan 0.000 0.583 292 D N 0.810 121.364 120.400 0.256 0.000 2.772 292 D HA -0.219 4.424 4.640 0.005 0.000 0.233 292 D C -0.078 176.366 176.300 0.240 0.000 1.143 292 D CA 0.643 54.772 54.000 0.214 0.000 0.700 292 D CB -1.465 39.423 40.800 0.146 0.000 1.076 292 D HN 0.232 nan 8.370 nan 0.000 0.430 293 I N 0.416 121.162 120.570 0.293 0.000 2.353 293 I HA 0.204 4.377 4.170 0.005 0.000 0.293 293 I C -1.815 174.383 176.117 0.135 0.000 0.992 293 I CA -2.000 59.401 61.300 0.168 0.000 1.268 293 I CB 1.079 39.151 38.000 0.122 0.000 1.387 293 I HN -0.322 nan 8.210 nan 0.000 0.478 294 P HA -0.084 nan 4.420 nan 0.000 0.258 294 P C 0.422 177.565 177.300 -0.261 0.000 1.172 294 P CA 0.279 63.311 63.100 -0.113 0.000 0.762 294 P CB 0.426 32.053 31.700 -0.123 0.000 0.764 295 K N 3.746 123.850 120.400 -0.493 0.000 2.160 295 K HA -0.208 4.115 4.320 0.005 0.000 0.206 295 K C 1.624 177.800 176.600 -0.707 0.000 1.047 295 K CA 1.167 56.756 56.287 -1.163 0.000 0.930 295 K CB -0.419 31.451 32.500 -1.050 0.000 0.720 295 K HN 0.310 nan 8.250 nan 0.000 0.450 296 I N 0.908 121.297 120.570 -0.301 0.000 2.700 296 I HA -0.196 3.977 4.170 0.005 0.000 0.261 296 I C 1.304 177.354 176.117 -0.111 0.000 1.219 296 I CA 1.273 62.496 61.300 -0.128 0.000 1.463 296 I CB 0.117 38.131 38.000 0.024 0.000 1.092 296 I HN 0.200 nan 8.210 nan 0.000 0.452 297 L N -1.729 119.415 121.223 -0.131 0.000 2.477 297 L HA -0.051 4.292 4.340 0.005 0.000 0.220 297 L C 1.950 178.885 176.870 0.107 0.000 1.106 297 L CA -0.068 54.734 54.840 -0.064 0.000 0.851 297 L CB -0.573 41.350 42.059 -0.225 0.000 0.994 297 L HN 0.291 nan 8.230 nan 0.000 0.462 298 W N 1.132 122.356 121.300 -0.127 0.000 2.301 298 W HA -0.158 4.505 4.660 0.004 0.000 0.325 298 W C -0.199 176.274 176.519 -0.076 0.000 1.250 298 W CA 1.095 58.376 57.345 -0.106 0.000 1.261 298 W CB -2.506 26.904 29.460 -0.084 0.000 1.157 298 W HN 0.141 nan 8.180 nan 0.000 0.473 299 P HA -0.172 nan 4.420 nan 0.000 0.216 299 P C 1.716 179.055 177.300 0.066 0.000 1.150 299 P CA 2.154 65.315 63.100 0.101 0.000 0.843 299 P CB -0.141 31.602 31.700 0.072 0.000 0.787 300 R N -1.172 119.359 120.500 0.050 0.000 2.092 300 R HA -0.031 4.312 4.340 0.005 0.000 0.231 300 R C 2.119 178.431 176.300 0.021 0.000 1.119 300 R CA 0.918 57.034 56.100 0.027 0.000 0.970 300 R CB -1.374 28.927 30.300 0.001 0.000 0.864 300 R HN 0.226 nan 8.270 nan 0.000 0.440 301 L N 0.918 122.147 121.223 0.010 0.000 2.012 301 L HA -0.162 4.181 4.340 0.005 0.000 0.210 301 L C 2.469 179.369 176.870 0.051 0.000 1.073 301 L CA 1.752 56.588 54.840 -0.006 0.000 0.748 301 L CB -0.472 41.542 42.059 -0.075 0.000 0.891 301 L HN 0.031 nan 8.230 nan 0.000 0.431 302 R N -1.217 119.305 120.500 0.037 0.000 2.081 302 R HA -0.115 4.228 4.340 0.005 0.000 0.235 302 R C 2.268 178.634 176.300 0.109 0.000 1.131 302 R CA 1.147 57.291 56.100 0.073 0.000 0.960 302 R CB -0.413 29.912 30.300 0.041 0.000 0.856 302 R HN 0.284 nan 8.270 nan 0.000 0.436 303 L N -0.207 121.063 121.223 0.077 0.000 2.017 303 L HA -0.231 4.112 4.340 0.005 0.000 0.208 303 L C 2.615 179.536 176.870 0.085 0.000 1.073 303 L CA 1.436 56.315 54.840 0.065 0.000 0.745 303 L CB -0.592 41.499 42.059 0.053 0.000 0.894 303 L HN 0.267 nan 8.230 nan 0.000 0.432 304 S N -0.523 115.251 115.700 0.123 0.000 2.365 304 S HA -0.292 4.181 4.470 0.005 0.000 0.225 304 S C 1.858 176.627 174.600 0.282 0.000 1.039 304 S CA 1.610 59.931 58.200 0.202 0.000 1.033 304 S CB -0.525 62.803 63.200 0.213 0.000 0.887 304 S HN 0.581 nan 8.310 nan 0.000 0.447 305 W N 1.566 122.855 121.300 -0.018 0.000 2.338 305 W HA -0.218 4.445 4.660 0.005 0.000 0.304 305 W C 2.369 178.710 176.519 -0.296 0.000 1.212 305 W CA 1.633 58.791 57.345 -0.312 0.000 1.264 305 W CB -0.435 28.853 29.460 -0.287 0.000 1.142 305 W HN 0.508 nan 8.180 nan 0.000 0.512 306 Q N 0.643 120.365 119.800 -0.130 0.000 2.079 306 Q HA -0.238 4.105 4.340 0.005 0.000 0.200 306 Q C 2.320 178.181 176.000 -0.231 0.000 0.974 306 Q CA 2.253 57.909 55.803 -0.244 0.000 0.840 306 Q CB -0.176 28.509 28.738 -0.088 0.000 0.898 306 Q HN 0.428 nan 8.270 nan 0.000 0.430 307 R N -1.741 118.680 120.500 -0.131 0.000 2.365 307 R HA 0.195 4.539 4.340 0.005 0.000 0.223 307 R C 0.798 176.968 176.300 -0.216 0.000 0.899 307 R CA -0.131 55.901 56.100 -0.113 0.000 1.059 307 R CB 0.494 30.785 30.300 -0.016 0.000 1.086 307 R HN -0.042 nan 8.270 nan 0.000 0.522 308 R N 0.733 121.105 120.500 -0.214 0.000 2.577 308 R HA 0.221 4.564 4.340 0.005 0.000 0.344 308 R C 1.059 177.273 176.300 -0.143 0.000 1.037 308 R CA -0.354 55.543 56.100 -0.339 0.000 1.102 308 R CB 0.248 30.621 30.300 0.123 0.000 1.313 308 R HN 0.067 nan 8.270 nan 0.000 0.561 309 R N 1.161 121.402 120.500 -0.432 0.000 2.117 309 R HA -0.134 4.209 4.340 0.005 0.000 0.243 309 R C 0.497 176.555 176.300 -0.404 0.000 1.143 309 R CA 1.570 57.231 56.100 -0.732 0.000 0.968 309 R CB -0.019 29.566 30.300 -1.190 0.000 0.863 309 R HN 0.380 nan 8.270 nan 0.000 0.444 310 H N -1.292 117.759 119.070 -0.032 0.000 2.519 310 H HA 0.127 4.685 4.556 0.004 0.000 0.289 310 H C 0.353 175.952 175.328 0.451 0.000 1.040 310 H CA 0.036 56.210 56.048 0.210 0.000 1.165 310 H CB 0.098 29.971 29.762 0.185 0.000 1.462 310 H HN 0.496 nan 8.280 nan 0.000 0.555 311 H N -0.440 118.854 119.070 0.374 0.000 2.549 311 H HA 0.146 4.705 4.556 0.005 0.000 0.279 311 H C 0.830 176.351 175.328 0.321 0.000 1.018 311 H CA -0.363 55.893 56.048 0.345 0.000 1.175 311 H CB 0.943 30.853 29.762 0.247 0.000 1.485 311 H HN 0.141 nan 8.280 nan 0.000 0.543 312 M N 1.623 121.489 119.600 0.443 0.000 2.217 312 M HA 0.049 4.532 4.480 0.005 0.000 0.352 312 M C 0.090 176.488 176.300 0.162 0.000 1.376 312 M CA 0.245 55.698 55.300 0.255 0.000 1.107 312 M CB 0.625 33.401 32.600 0.292 0.000 1.723 312 M HN 0.232 nan 8.290 nan 0.000 0.461 313 I N 2.132 122.730 120.570 0.046 0.000 2.556 313 I HA 0.060 4.233 4.170 0.005 0.000 0.251 313 I C 0.945 177.020 176.117 -0.071 0.000 1.105 313 I CA 0.654 61.850 61.300 -0.173 0.000 1.436 313 I CB 0.513 38.151 38.000 -0.604 0.000 1.139 313 I HN 0.708 nan 8.210 nan 0.000 0.438 314 T N -0.892 113.694 114.554 0.053 0.000 2.885 314 T HA 0.675 5.029 4.350 0.005 0.000 0.322 314 T C -0.969 173.876 174.700 0.242 0.000 1.387 314 T CA -0.315 61.886 62.100 0.168 0.000 1.041 314 T CB 1.691 70.688 68.868 0.216 0.000 1.287 314 T HN 0.285 nan 8.240 nan 0.000 0.491 315 G N 1.581 110.573 108.800 0.320 0.000 2.649 315 G HA2 0.705 4.668 3.960 0.005 0.000 0.290 315 G HA3 0.705 4.668 3.960 0.005 0.000 0.290 315 G C -1.912 173.210 174.900 0.369 0.000 1.426 315 G CA -0.736 44.543 45.100 0.300 0.000 0.794 315 G HN 0.729 nan 8.290 nan 0.000 0.483 316 R N 0.172 120.845 120.500 0.288 0.000 2.538 316 R HA 0.563 4.907 4.340 0.005 0.000 0.292 316 R C -0.818 175.544 176.300 0.104 0.000 1.008 316 R CA -0.674 55.477 56.100 0.084 0.000 0.896 316 R CB 1.604 31.862 30.300 -0.070 0.000 1.187 316 R HN 0.506 nan 8.270 nan 0.000 0.440 317 M N 2.875 122.441 119.600 -0.056 0.000 2.238 317 M HA 0.286 4.769 4.480 0.005 0.000 0.350 317 M C -1.007 175.153 176.300 -0.235 0.000 1.138 317 M CA -0.684 54.477 55.300 -0.232 0.000 1.040 317 M CB 1.764 34.083 32.600 -0.468 0.000 1.639 317 M HN 0.366 nan 8.290 nan 0.000 0.451 318 D N 3.319 123.546 120.400 -0.288 0.000 2.274 318 D HA 0.516 5.159 4.640 0.005 0.000 0.239 318 D C -1.144 174.944 176.300 -0.354 0.000 1.104 318 D CA 0.352 54.266 54.000 -0.143 0.000 0.840 318 D CB 0.779 41.599 40.800 0.032 0.000 1.100 318 D HN 0.212 nan 8.370 nan 0.000 0.477 319 F N 0.357 120.182 119.950 -0.209 0.000 2.593 319 F HA 0.368 4.898 4.527 0.005 0.000 0.320 319 F C 0.005 175.570 175.800 -0.393 0.000 1.060 319 F CA -1.160 56.619 58.000 -0.368 0.000 0.940 319 F CB 1.515 40.364 39.000 -0.253 0.000 1.268 319 F HN 0.197 nan 8.300 nan 0.000 0.475 320 C N 4.550 123.694 119.300 -0.260 0.000 2.298 320 C HA 0.804 5.267 4.460 0.005 0.000 0.323 320 C C -0.586 174.450 174.990 0.076 0.000 1.284 320 C CA -0.586 58.395 59.018 -0.062 0.000 1.577 320 C CB -0.399 27.374 27.740 0.055 0.000 2.249 320 C HN 0.847 nan 8.230 nan 0.000 0.497 321 M N 7.516 127.164 119.600 0.082 0.000 2.263 321 M HA 0.561 5.044 4.480 0.005 0.000 0.295 321 M C -1.621 174.724 176.300 0.076 0.000 1.028 321 M CA 0.081 55.419 55.300 0.063 0.000 0.921 321 M CB 1.410 33.988 32.600 -0.037 0.000 1.601 321 M HN 0.975 nan 8.290 nan 0.000 0.440 322 D N 2.329 122.794 120.400 0.107 0.000 2.809 322 D HA 0.017 4.660 4.640 0.005 0.000 0.336 322 D C 0.052 176.405 176.300 0.088 0.000 1.367 322 D CA -0.237 53.810 54.000 0.078 0.000 0.815 322 D CB 0.042 40.883 40.800 0.069 0.000 1.381 322 D HN 0.731 nan 8.370 nan 0.000 0.471 323 E N 0.009 120.244 120.200 0.059 0.000 2.352 323 E HA -0.273 4.080 4.350 0.005 0.000 0.203 323 E C 1.218 177.865 176.600 0.078 0.000 1.024 323 E CA 1.078 57.511 56.400 0.054 0.000 0.842 323 E CB -0.228 29.490 29.700 0.030 0.000 0.753 323 E HN 0.347 nan 8.360 nan 0.000 0.508 324 R N 0.523 121.086 120.500 0.106 0.000 2.275 324 R HA 0.145 4.488 4.340 0.005 0.000 0.199 324 R C 0.799 177.298 176.300 0.332 0.000 0.989 324 R CA 0.500 56.698 56.100 0.164 0.000 1.016 324 R CB 0.457 30.799 30.300 0.071 0.000 0.918 324 R HN 0.361 nan 8.270 nan 0.000 0.473 325 G N 0.385 109.345 108.800 0.268 0.000 2.352 325 G HA2 -0.101 3.862 3.960 0.005 0.000 0.324 325 G HA3 -0.101 3.862 3.960 0.005 0.000 0.324 325 G C -2.036 172.999 174.900 0.225 0.000 1.249 325 G CA -0.816 44.428 45.100 0.241 0.000 1.053 325 G HN 0.066 nan 8.290 nan 0.000 0.492 326 L N 0.129 121.459 121.223 0.179 0.000 2.409 326 L HA 0.881 5.224 4.340 0.005 0.000 0.272 326 L C -0.808 176.126 176.870 0.107 0.000 0.980 326 L CA -0.792 54.120 54.840 0.120 0.000 0.826 326 L CB 1.726 43.820 42.059 0.059 0.000 1.268 326 L HN 0.623 nan 8.230 nan 0.000 0.407 327 K N 4.306 124.674 120.400 -0.053 0.000 2.422 327 K HA 0.661 4.984 4.320 0.005 0.000 0.251 327 K C -1.312 175.171 176.600 -0.196 0.000 0.933 327 K CA -0.713 55.440 56.287 -0.224 0.000 0.798 327 K CB 2.505 34.530 32.500 -0.791 0.000 1.238 327 K HN 0.415 nan 8.250 nan 0.000 0.428 328 V N 1.720 121.499 119.914 -0.225 0.000 2.481 328 V HA 0.254 4.377 4.120 0.005 0.000 0.286 328 V C 0.550 176.477 176.094 -0.279 0.000 1.042 328 V CA -0.557 61.456 62.300 -0.478 0.000 0.928 328 V CB 0.469 32.031 31.823 -0.434 0.000 0.986 328 V HN 0.639 nan 8.190 nan 0.000 0.462 329 Y N 2.149 122.322 120.300 -0.211 0.000 2.301 329 Y HA 0.216 4.769 4.550 0.005 0.000 0.295 329 Y C 1.152 176.995 175.900 -0.095 0.000 1.119 329 Y CA 0.425 58.452 58.100 -0.121 0.000 1.162 329 Y CB 0.269 38.676 38.460 -0.087 0.000 1.046 329 Y HN 0.910 nan 8.280 nan 0.000 0.538 330 E N -2.857 117.371 120.200 0.046 0.000 2.435 330 E HA 0.275 4.628 4.350 0.005 0.000 0.277 330 E C -2.058 174.543 176.600 0.001 0.000 1.106 330 E CA -1.070 55.372 56.400 0.070 0.000 0.868 330 E CB 1.387 31.119 29.700 0.053 0.000 1.454 330 E HN -0.147 nan 8.360 nan 0.000 0.452 331 Y N 1.626 121.829 120.300 -0.162 0.000 2.349 331 Y HA 0.405 4.958 4.550 0.005 0.000 0.324 331 Y C -1.345 174.454 175.900 -0.167 0.000 1.005 331 Y CA -1.970 55.936 58.100 -0.324 0.000 1.240 331 Y CB 1.204 39.147 38.460 -0.861 0.000 1.117 331 Y HN 0.575 nan 8.280 nan 0.000 0.463 332 N N 5.287 124.016 118.700 0.048 0.000 2.605 332 N HA 0.219 4.962 4.740 0.005 0.000 0.258 332 N C 0.587 175.965 175.510 -0.219 0.000 1.156 332 N CA 0.412 53.421 53.050 -0.069 0.000 1.008 332 N CB 1.275 39.762 38.487 0.001 0.000 1.354 332 N HN 0.731 nan 8.380 nan 0.000 0.509 333 A N 0.726 123.269 122.820 -0.460 0.000 2.195 333 A HA -0.057 4.266 4.320 0.005 0.000 0.210 333 A C 1.668 179.108 177.584 -0.240 0.000 1.165 333 A CA 0.434 52.132 52.037 -0.564 0.000 0.806 333 A CB 0.197 18.708 19.000 -0.814 0.000 0.847 333 A HN 0.414 nan 8.150 nan 0.000 0.482 334 D N 0.600 120.922 120.400 -0.130 0.000 2.394 334 D HA -0.028 4.615 4.640 0.005 0.000 0.237 334 D C 0.868 177.171 176.300 0.005 0.000 1.028 334 D CA 1.636 55.618 54.000 -0.030 0.000 0.937 334 D CB 0.007 40.821 40.800 0.024 0.000 1.072 334 D HN 0.263 nan 8.370 nan 0.000 0.457 335 S N 0.071 115.771 115.700 -0.000 0.000 2.252 335 S HA 0.784 5.257 4.470 0.005 0.000 0.187 335 S C -0.285 174.362 174.600 0.077 0.000 1.587 335 S CA -0.696 57.517 58.200 0.021 0.000 1.215 335 S CB 0.898 64.059 63.200 -0.065 0.000 1.085 335 S HN 0.418 nan 8.310 nan 0.000 0.466 336 A N 2.521 125.453 122.820 0.187 0.000 2.327 336 A HA 0.841 5.164 4.320 0.005 0.000 0.283 336 A C 0.593 178.417 177.584 0.400 0.000 1.127 336 A CA -0.425 51.766 52.037 0.256 0.000 0.810 336 A CB 0.620 19.814 19.000 0.323 0.000 1.066 336 A HN 1.203 nan 8.150 nan 0.000 0.492 337 S N -0.696 115.155 115.700 0.253 0.000 2.841 337 S HA 0.649 5.122 4.470 0.005 0.000 0.318 337 S C 0.386 175.182 174.600 0.327 0.000 1.127 337 S CA 0.033 58.355 58.200 0.202 0.000 0.883 337 S CB 0.873 63.906 63.200 -0.278 0.000 1.271 337 S HN 1.688 nan 8.310 nan 0.000 0.567 338 C N -0.141 119.317 119.300 0.263 0.000 5.829 338 C HA -0.131 4.332 4.460 0.005 0.000 0.216 338 C C 1.752 176.871 174.990 0.215 0.000 1.281 338 C CA 0.666 59.830 59.018 0.243 0.000 1.150 338 C CB -2.955 24.911 27.740 0.211 0.000 2.236 338 C HN 1.011 nan 8.230 nan 0.000 0.641 339 H N 0.500 119.612 119.070 0.070 0.000 2.319 339 H HA -0.169 4.390 4.556 0.005 0.000 0.297 339 H C 1.962 176.860 175.328 -0.716 0.000 1.097 339 H CA 2.122 57.907 56.048 -0.438 0.000 1.285 339 H CB -0.336 29.186 29.762 -0.401 0.000 1.368 339 H HN 0.655 nan 8.280 nan 0.000 0.495 340 T N 1.016 115.237 114.554 -0.555 0.000 2.684 340 T HA -0.138 4.215 4.350 0.005 0.000 0.267 340 T C 1.947 176.476 174.700 -0.284 0.000 1.036 340 T CA 1.605 63.331 62.100 -0.623 0.000 1.148 340 T CB -0.198 68.667 68.868 -0.005 0.000 0.863 340 T HN 0.353 nan 8.240 nan 0.000 0.436 341 E N 1.254 121.392 120.200 -0.104 0.000 2.038 341 E HA -0.039 4.314 4.350 0.005 0.000 0.195 341 E C 2.409 178.960 176.600 -0.081 0.000 1.000 341 E CA 1.346 57.684 56.400 -0.103 0.000 0.803 341 E CB -0.464 29.259 29.700 0.039 0.000 0.750 341 E HN 0.500 nan 8.360 nan 0.000 0.448 342 A N 0.118 122.919 122.820 -0.032 0.000 1.897 342 A HA 0.029 4.352 4.320 0.005 0.000 0.215 342 A C 2.304 179.872 177.584 -0.027 0.000 1.181 342 A CA 1.513 53.558 52.037 0.014 0.000 0.620 342 A CB -0.767 18.346 19.000 0.188 0.000 0.821 342 A HN 0.334 nan 8.150 nan 0.000 0.443 343 G N -1.914 106.821 108.800 -0.109 0.000 3.042 343 G HA2 0.325 4.288 3.960 0.005 0.000 0.212 343 G HA3 0.325 4.288 3.960 0.005 0.000 0.212 343 G C 0.942 175.898 174.900 0.093 0.000 1.166 343 G CA 1.039 46.139 45.100 -0.000 0.000 0.767 343 G HN 0.466 nan 8.290 nan 0.000 0.546 344 L N -1.012 120.226 121.223 0.024 0.000 2.603 344 L HA 0.428 4.771 4.340 0.005 0.000 0.189 344 L C 2.003 178.878 176.870 0.008 0.000 1.082 344 L CA 0.358 55.240 54.840 0.069 0.000 0.921 344 L CB -0.404 41.730 42.059 0.125 0.000 1.694 344 L HN -0.074 nan 8.230 nan 0.000 0.491 345 I N 0.965 121.463 120.570 -0.120 0.000 2.208 345 I HA -0.247 3.927 4.170 0.005 0.000 0.245 345 I C 2.553 178.727 176.117 0.094 0.000 1.097 345 I CA 1.709 62.913 61.300 -0.159 0.000 1.363 345 I CB -1.271 36.420 38.000 -0.515 0.000 1.051 345 I HN 0.308 nan 8.210 nan 0.000 0.413 346 L N -0.001 121.259 121.223 0.061 0.000 2.201 346 L HA -0.139 4.204 4.340 0.005 0.000 0.212 346 L C 2.584 179.604 176.870 0.251 0.000 1.105 346 L CA 0.868 55.793 54.840 0.142 0.000 0.775 346 L CB -0.427 41.640 42.059 0.013 0.000 0.913 346 L HN 0.231 nan 8.230 nan 0.000 0.440 347 E N -0.044 120.264 120.200 0.179 0.000 2.072 347 E HA -0.176 4.177 4.350 0.005 0.000 0.191 347 E C 2.271 179.003 176.600 0.219 0.000 0.985 347 E CA 0.687 57.197 56.400 0.184 0.000 0.801 347 E CB -0.118 29.663 29.700 0.135 0.000 0.750 347 E HN 0.212 nan 8.360 nan 0.000 0.452 348 R N 0.100 120.746 120.500 0.242 0.000 2.096 348 R HA -0.154 4.190 4.340 0.005 0.000 0.235 348 R C 1.986 178.547 176.300 0.435 0.000 1.127 348 R CA 1.096 57.378 56.100 0.302 0.000 0.968 348 R CB -0.914 29.561 30.300 0.291 0.000 0.861 348 R HN 0.300 nan 8.270 nan 0.000 0.440 349 W N 0.882 122.366 121.300 0.308 0.000 2.333 349 W HA -0.222 4.441 4.660 0.005 0.000 0.316 349 W C 2.091 178.686 176.519 0.126 0.000 1.215 349 W CA 2.500 59.929 57.345 0.140 0.000 1.278 349 W CB -0.490 28.918 29.460 -0.086 0.000 1.154 349 W HN 0.137 nan 8.180 nan 0.000 0.486 350 A N 0.254 123.196 122.820 0.204 0.000 1.858 350 A HA -0.294 4.029 4.320 0.005 0.000 0.216 350 A C 1.998 179.537 177.584 -0.075 0.000 1.190 350 A CA 2.062 54.077 52.037 -0.037 0.000 0.617 350 A CB -1.417 17.702 19.000 0.198 0.000 0.827 350 A HN 0.541 nan 8.150 nan 0.000 0.443 351 E N -1.086 119.135 120.200 0.035 0.000 2.130 351 E HA -0.332 4.021 4.350 0.005 0.000 0.196 351 E C 2.125 178.685 176.600 -0.067 0.000 0.998 351 E CA 1.792 58.202 56.400 0.016 0.000 0.806 351 E CB -0.100 29.643 29.700 0.071 0.000 0.738 351 E HN 0.608 nan 8.360 nan 0.000 0.459 352 Q N -1.176 118.564 119.800 -0.100 0.000 2.187 352 Q HA 0.041 4.384 4.340 0.005 0.000 0.199 352 Q C 1.511 177.213 176.000 -0.498 0.000 0.957 352 Q CA 1.563 57.228 55.803 -0.231 0.000 0.857 352 Q CB 0.442 29.106 28.738 -0.122 0.000 0.929 352 Q HN 0.319 nan 8.270 nan 0.000 0.453 353 G N -2.309 106.134 108.800 -0.594 0.000 3.215 353 G HA2 0.009 3.972 3.960 0.005 0.000 0.236 353 G HA3 0.009 3.972 3.960 0.005 0.000 0.236 353 G C -0.784 173.838 174.900 -0.463 0.000 1.029 353 G CA -0.328 44.393 45.100 -0.632 0.000 0.909 353 G HN 0.237 nan 8.290 nan 0.000 0.543 354 Y N 1.666 121.616 120.300 -0.584 0.000 2.341 354 Y HA 0.516 5.069 4.550 0.005 0.000 0.340 354 Y C 0.819 176.583 175.900 -0.227 0.000 0.997 354 Y CA -0.475 57.364 58.100 -0.434 0.000 1.149 354 Y CB 1.381 39.582 38.460 -0.431 0.000 1.171 354 Y HN -0.081 nan 8.280 nan 0.000 0.494 355 K N 3.732 123.696 120.400 -0.727 0.000 2.374 355 K HA 0.283 4.606 4.320 0.005 0.000 0.202 355 K C 0.789 177.003 176.600 -0.644 0.000 1.040 355 K CA 0.177 56.161 56.287 -0.504 0.000 1.085 355 K CB 0.761 33.077 32.500 -0.306 0.000 0.873 355 K HN 0.742 nan 8.250 nan 0.000 0.539 356 G N 0.441 108.377 108.800 -1.439 0.000 2.570 356 G HA2 -0.048 3.915 3.960 0.005 0.000 0.276 356 G HA3 -0.048 3.915 3.960 0.005 0.000 0.276 356 G C 0.208 175.032 174.900 -0.127 0.000 1.346 356 G CA -0.444 44.154 45.100 -0.836 0.000 1.034 356 G HN 0.263 nan 8.290 nan 0.000 0.512 357 N N -0.733 118.052 118.700 0.142 0.000 2.405 357 N HA 0.109 4.852 4.740 0.005 0.000 0.175 357 N C 1.524 177.236 175.510 0.336 0.000 1.051 357 N CA 0.146 53.318 53.050 0.204 0.000 0.899 357 N CB 0.263 38.837 38.487 0.146 0.000 1.000 357 N HN 0.533 nan 8.380 nan 0.000 0.451 358 G N 0.718 109.784 108.800 0.443 0.000 2.583 358 G HA2 0.334 4.297 3.960 0.005 0.000 0.275 358 G HA3 0.334 4.297 3.960 0.005 0.000 0.275 358 G C -0.436 174.669 174.900 0.342 0.000 1.342 358 G CA -0.221 45.071 45.100 0.319 0.000 1.030 358 G HN 0.258 nan 8.290 nan 0.000 0.520 359 F N -2.610 117.373 119.950 0.056 0.000 2.626 359 F HA 0.575 5.105 4.527 0.005 0.000 0.311 359 F C -0.774 175.030 175.800 0.007 0.000 1.088 359 F CA -1.811 56.212 58.000 0.037 0.000 0.949 359 F CB 1.542 40.587 39.000 0.075 0.000 1.322 359 F HN 0.407 nan 8.300 nan 0.000 0.461 360 N N 3.544 122.355 118.700 0.186 0.000 2.406 360 N HA 0.335 5.079 4.740 0.005 0.000 0.251 360 N C -1.773 173.893 175.510 0.259 0.000 1.069 360 N CA -2.669 50.441 53.050 0.100 0.000 0.947 360 N CB 1.009 39.572 38.487 0.127 0.000 1.111 360 N HN 0.455 nan 8.380 nan 0.000 0.497 361 P HA -0.049 nan 4.420 nan 0.000 0.236 361 P C 0.127 177.589 177.300 0.269 0.000 1.172 361 P CA 0.645 63.943 63.100 0.331 0.000 0.759 361 P CB 0.201 32.023 31.700 0.203 0.000 0.843 362 A N 0.141 123.069 122.820 0.179 0.000 2.430 362 A HA 0.061 4.384 4.320 0.005 0.000 0.243 362 A C 2.072 179.711 177.584 0.091 0.000 1.254 362 A CA -0.124 51.979 52.037 0.110 0.000 0.914 362 A CB -0.646 18.412 19.000 0.096 0.000 0.998 362 A HN 0.245 nan 8.150 nan 0.000 0.515 363 E N -0.117 120.169 120.200 0.143 0.000 2.114 363 E HA -0.202 4.152 4.350 0.005 0.000 0.199 363 E C 1.468 178.120 176.600 0.087 0.000 1.008 363 E CA 1.564 58.038 56.400 0.123 0.000 0.810 363 E CB -0.559 29.230 29.700 0.149 0.000 0.739 363 E HN 0.362 nan 8.360 nan 0.000 0.456 364 G N 0.569 109.413 108.800 0.073 0.000 3.141 364 G HA2 0.055 4.018 3.960 0.005 0.000 0.218 364 G HA3 0.055 4.018 3.960 0.005 0.000 0.218 364 G C 1.220 176.139 174.900 0.032 0.000 1.170 364 G CA -0.013 45.116 45.100 0.048 0.000 0.769 364 G HN 0.146 nan 8.290 nan 0.000 0.546 365 L N 1.055 122.293 121.223 0.024 0.000 2.034 365 L HA -0.187 4.156 4.340 0.005 0.000 0.217 365 L C 2.691 179.593 176.870 0.053 0.000 1.077 365 L CA 1.736 56.578 54.840 0.003 0.000 0.769 365 L CB -0.410 41.606 42.059 -0.071 0.000 0.890 365 L HN 0.323 nan 8.230 nan 0.000 0.435 366 I N -0.639 119.980 120.570 0.080 0.000 2.151 366 I HA -0.399 3.774 4.170 0.005 0.000 0.243 366 I C 2.109 178.179 176.117 -0.078 0.000 1.080 366 I CA 2.166 63.418 61.300 -0.080 0.000 1.339 366 I CB -0.613 37.307 38.000 -0.133 0.000 1.039 366 I HN 0.438 nan 8.210 nan 0.000 0.409 367 N N 0.116 118.800 118.700 -0.027 0.000 2.142 367 N HA -0.213 4.530 4.740 0.005 0.000 0.186 367 N C 1.842 177.355 175.510 0.005 0.000 1.023 367 N CA 0.895 53.940 53.050 -0.009 0.000 0.852 367 N CB -0.092 38.402 38.487 0.011 0.000 0.998 367 N HN 0.252 nan 8.380 nan 0.000 0.424 368 E N 0.917 121.118 120.200 0.003 0.000 2.058 368 E HA -0.145 4.208 4.350 0.005 0.000 0.194 368 E C 1.703 178.293 176.600 -0.016 0.000 0.997 368 E CA 0.854 57.253 56.400 -0.003 0.000 0.801 368 E CB -0.167 29.525 29.700 -0.013 0.000 0.746 368 E HN 0.132 nan 8.360 nan 0.000 0.450 369 L N 0.128 121.335 121.223 -0.026 0.000 2.042 369 L HA -0.100 4.243 4.340 0.005 0.000 0.210 369 L C 2.227 179.109 176.870 0.019 0.000 1.076 369 L CA 2.081 56.889 54.840 -0.053 0.000 0.749 369 L CB -1.279 40.750 42.059 -0.051 0.000 0.893 369 L HN 0.222 nan 8.230 nan 0.000 0.432 370 A N -0.927 121.916 122.820 0.039 0.000 1.972 370 A HA -0.070 4.254 4.320 0.005 0.000 0.219 370 A C 2.397 180.058 177.584 0.128 0.000 1.169 370 A CA 1.499 53.593 52.037 0.096 0.000 0.635 370 A CB -1.210 17.803 19.000 0.022 0.000 0.810 370 A HN 0.454 nan 8.150 nan 0.000 0.446 371 G N -0.340 108.513 108.800 0.088 0.000 2.421 371 G HA2 -0.015 3.948 3.960 0.005 0.000 0.216 371 G HA3 -0.015 3.948 3.960 0.005 0.000 0.216 371 G C 1.779 176.772 174.900 0.156 0.000 1.171 371 G CA 1.474 46.656 45.100 0.135 0.000 0.775 371 G HN 0.780 nan 8.290 nan 0.000 0.543 372 A N 0.136 122.970 122.820 0.022 0.000 1.883 372 A HA -0.079 4.244 4.320 0.005 0.000 0.217 372 A C 2.233 179.767 177.584 -0.082 0.000 1.186 372 A CA 1.503 53.497 52.037 -0.071 0.000 0.624 372 A CB -0.800 18.049 19.000 -0.252 0.000 0.822 372 A HN 0.557 nan 8.150 nan 0.000 0.444 373 W N -0.170 121.077 121.300 -0.089 0.000 2.363 373 W HA -0.152 4.511 4.660 0.005 0.000 0.296 373 W C 2.365 178.914 176.519 0.051 0.000 1.212 373 W CA 1.422 58.654 57.345 -0.189 0.000 1.260 373 W CB 0.072 29.340 29.460 -0.320 0.000 1.131 373 W HN 0.325 nan 8.180 nan 0.000 0.530 374 K N -0.034 120.565 120.400 0.331 0.000 2.097 374 K HA -0.171 4.152 4.320 0.005 0.000 0.205 374 K C 1.162 177.755 176.600 -0.011 0.000 1.050 374 K CA 1.649 58.045 56.287 0.182 0.000 0.938 374 K CB -0.540 31.994 32.500 0.055 0.000 0.718 374 K HN 0.184 nan 8.250 nan 0.000 0.442 375 H N -0.406 118.719 119.070 0.092 0.000 2.526 375 H HA 0.228 4.787 4.556 0.005 0.000 0.274 375 H C 0.079 175.417 175.328 0.016 0.000 0.999 375 H CA 0.324 56.381 56.048 0.015 0.000 1.157 375 H CB 0.234 29.986 29.762 -0.017 0.000 1.407 375 H HN 0.237 nan 8.280 nan 0.000 0.568 376 S N -0.182 115.599 115.700 0.135 0.000 2.655 376 S HA 0.268 4.741 4.470 0.005 0.000 0.265 376 S C 0.839 175.504 174.600 0.107 0.000 1.240 376 S CA -0.854 57.396 58.200 0.083 0.000 0.986 376 S CB 1.573 64.774 63.200 0.001 0.000 0.985 376 S HN 0.132 nan 8.310 nan 0.000 0.562 377 R N 0.442 120.968 120.500 0.043 0.000 2.694 377 R HA 0.522 4.865 4.340 0.005 0.000 0.334 377 R C 0.374 176.826 176.300 0.254 0.000 1.143 377 R CA -0.054 56.107 56.100 0.103 0.000 1.073 377 R CB -0.445 29.863 30.300 0.015 0.000 1.366 377 R HN 0.769 nan 8.270 nan 0.000 0.577 378 A N 0.604 123.626 122.820 0.336 0.000 2.425 378 A HA 0.341 4.664 4.320 0.005 0.000 0.242 378 A C 0.261 178.092 177.584 0.412 0.000 1.077 378 A CA -0.215 52.040 52.037 0.362 0.000 0.781 378 A CB 0.347 19.283 19.000 -0.106 0.000 1.020 378 A HN 0.272 nan 8.150 nan 0.000 0.494 379 R N 1.080 121.794 120.500 0.357 0.000 2.707 379 R HA 0.294 4.637 4.340 0.005 0.000 0.270 379 R C -1.718 174.826 176.300 0.407 0.000 1.083 379 R CA -1.001 55.291 56.100 0.319 0.000 1.182 379 R CB -0.115 30.349 30.300 0.273 0.000 1.084 379 R HN 0.469 nan 8.270 nan 0.000 0.528 380 P HA -0.134 nan 4.420 nan 0.000 0.216 380 P C -0.387 177.088 177.300 0.291 0.000 1.150 380 P CA 1.196 64.412 63.100 0.194 0.000 0.837 380 P CB 0.172 31.922 31.700 0.083 0.000 0.786 381 F N 0.465 120.505 119.950 0.151 0.000 2.411 381 F HA 0.429 4.959 4.527 0.005 0.000 0.352 381 F C -0.388 175.464 175.800 0.087 0.000 1.123 381 F CA -1.133 56.921 58.000 0.091 0.000 1.044 381 F CB 1.061 40.093 39.000 0.052 0.000 1.135 381 F HN -0.346 nan 8.300 nan 0.000 0.461 382 V N 5.702 125.472 119.914 -0.240 0.000 2.495 382 V HA 0.496 4.619 4.120 0.005 0.000 0.298 382 V C -1.282 174.740 176.094 -0.121 0.000 1.031 382 V CA -0.474 61.788 62.300 -0.064 0.000 0.871 382 V CB 1.262 32.928 31.823 -0.262 0.000 0.988 382 V HN 0.767 nan 8.190 nan 0.000 0.432 383 H N 5.431 124.571 119.070 0.117 0.000 2.620 383 H HA 0.562 5.122 4.556 0.005 0.000 0.313 383 H C -0.037 175.337 175.328 0.077 0.000 1.075 383 H CA -0.012 56.116 56.048 0.133 0.000 1.397 383 H CB 1.146 31.017 29.762 0.181 0.000 1.446 383 H HN 0.714 nan 8.280 nan 0.000 0.493 384 I N 4.357 125.004 120.570 0.129 0.000 2.342 384 I HA 0.182 4.355 4.170 0.005 0.000 0.291 384 I C -0.092 176.107 176.117 0.137 0.000 1.010 384 I CA -0.061 61.335 61.300 0.159 0.000 1.308 384 I CB 0.681 38.758 38.000 0.128 0.000 1.400 384 I HN 0.438 nan 8.210 nan 0.000 0.488 385 M N 7.356 127.014 119.600 0.097 0.000 2.114 385 M HA 0.378 4.861 4.480 0.005 0.000 0.332 385 M C -0.658 175.642 176.300 0.001 0.000 1.014 385 M CA -0.524 54.855 55.300 0.132 0.000 0.956 385 M CB 1.547 34.273 32.600 0.210 0.000 1.551 385 M HN 0.548 nan 8.290 nan 0.000 0.427 386 Q N 0.657 120.424 119.800 -0.055 0.000 2.484 386 Q HA 0.570 4.913 4.340 0.005 0.000 0.285 386 Q C -1.421 174.305 176.000 -0.457 0.000 1.097 386 Q CA -1.139 54.448 55.803 -0.361 0.000 0.802 386 Q CB 2.125 30.741 28.738 -0.204 0.000 1.444 386 Q HN 0.420 nan 8.270 nan 0.000 0.429 387 D N 0.715 120.597 120.400 -0.863 0.000 2.344 387 D HA 0.093 4.736 4.640 0.005 0.000 0.244 387 D C -0.874 175.254 176.300 -0.288 0.000 1.134 387 D CA -0.299 53.252 54.000 -0.748 0.000 0.930 387 D CB 1.172 41.398 40.800 -0.957 0.000 1.175 387 D HN 0.498 nan 8.370 nan 0.000 0.437 388 K N 1.989 122.313 120.400 -0.126 0.000 2.166 388 K HA 0.104 4.427 4.320 0.005 0.000 0.273 388 K C -1.218 175.324 176.600 -0.097 0.000 1.095 388 K CA 0.074 56.321 56.287 -0.067 0.000 0.985 388 K CB -0.013 32.481 32.500 -0.010 0.000 1.172 388 K HN 0.210 nan 8.250 nan 0.000 0.401 389 D N 3.333 123.660 120.400 -0.121 0.000 2.738 389 D HA 0.001 4.644 4.640 0.005 0.000 0.218 389 D C 1.124 177.363 176.300 -0.102 0.000 1.345 389 D CA -0.518 53.410 54.000 -0.119 0.000 0.943 389 D CB 1.062 41.757 40.800 -0.176 0.000 1.514 389 D HN 0.339 nan 8.370 nan 0.000 0.585 390 I N 1.989 122.522 120.570 -0.062 0.000 2.236 390 I HA -0.256 3.918 4.170 0.005 0.000 0.249 390 I C 1.323 177.419 176.117 -0.036 0.000 1.102 390 I CA 1.818 63.098 61.300 -0.033 0.000 1.365 390 I CB -0.697 37.295 38.000 -0.013 0.000 1.051 390 I HN 0.468 nan 8.210 nan 0.000 0.420 391 E N 1.260 121.415 120.200 -0.074 0.000 2.153 391 E HA -0.213 4.140 4.350 0.005 0.000 0.194 391 E C 1.769 178.145 176.600 -0.373 0.000 0.988 391 E CA 1.384 57.713 56.400 -0.118 0.000 0.811 391 E CB -0.476 29.165 29.700 -0.098 0.000 0.746 391 E HN 0.684 nan 8.360 nan 0.000 0.466 392 E N 0.511 120.543 120.200 -0.281 0.000 2.435 392 E HA -0.030 4.323 4.350 0.005 0.000 0.195 392 E C 1.390 177.865 176.600 -0.209 0.000 1.029 392 E CA 0.022 56.248 56.400 -0.291 0.000 0.865 392 E CB 0.107 29.651 29.700 -0.259 0.000 0.833 392 E HN 0.216 nan 8.360 nan 0.000 0.510 393 N N 0.721 119.334 118.700 -0.146 0.000 2.069 393 N HA -0.213 4.530 4.740 0.005 0.000 0.191 393 N C 1.731 177.273 175.510 0.054 0.000 1.031 393 N CA 1.466 54.502 53.050 -0.023 0.000 0.852 393 N CB -0.484 38.025 38.487 0.036 0.000 1.018 393 N HN 0.437 nan 8.380 nan 0.000 0.423 394 Y N -1.079 119.286 120.300 0.108 0.000 2.314 394 Y HA 0.050 4.603 4.550 0.005 0.000 0.293 394 Y C 2.466 178.499 175.900 0.221 0.000 1.129 394 Y CA 1.153 59.347 58.100 0.156 0.000 1.201 394 Y CB -1.026 37.545 38.460 0.186 0.000 0.999 394 Y HN 0.131 nan 8.280 nan 0.000 0.541 395 H N 1.100 120.048 119.070 -0.203 0.000 2.293 395 H HA -0.077 4.482 4.556 0.005 0.000 0.300 395 H C 2.311 177.737 175.328 0.162 0.000 1.082 395 H CA 1.906 57.953 56.048 -0.001 0.000 1.308 395 H CB -0.525 29.162 29.762 -0.125 0.000 1.375 395 H HN 0.398 nan 8.280 nan 0.000 0.495 396 A N 0.333 123.242 122.820 0.149 0.000 1.908 396 A HA -0.239 4.084 4.320 0.005 0.000 0.218 396 A C 2.292 179.888 177.584 0.020 0.000 1.181 396 A CA 1.978 54.109 52.037 0.155 0.000 0.627 396 A CB -0.570 18.496 19.000 0.110 0.000 0.818 396 A HN 0.686 nan 8.150 nan 0.000 0.445 397 Q N -2.206 117.624 119.800 0.049 0.000 2.230 397 Q HA -0.045 4.298 4.340 0.005 0.000 0.202 397 Q C 1.831 177.820 176.000 -0.017 0.000 0.963 397 Q CA 1.175 56.980 55.803 0.003 0.000 0.866 397 Q CB -0.213 28.564 28.738 0.065 0.000 0.931 397 Q HN 0.756 nan 8.270 nan 0.000 0.452 398 F N 0.852 120.756 119.950 -0.077 0.000 2.146 398 F HA -0.203 4.327 4.527 0.005 0.000 0.298 398 F C 2.134 177.777 175.800 -0.261 0.000 1.096 398 F CA 1.250 59.187 58.000 -0.105 0.000 1.275 398 F CB 0.054 39.043 39.000 -0.018 0.000 1.008 398 F HN 0.036 nan 8.300 nan 0.000 0.480 399 M N 0.656 120.079 119.600 -0.295 0.000 2.254 399 M HA -0.104 4.379 4.480 0.005 0.000 0.265 399 M C 2.128 178.029 176.300 -0.664 0.000 1.066 399 M CA 1.594 56.521 55.300 -0.622 0.000 1.123 399 M CB -0.685 31.204 32.600 -1.184 0.000 1.388 399 M HN 0.344 nan 8.290 nan 0.000 0.425 400 E N -0.789 119.085 120.200 -0.544 0.000 2.077 400 E HA -0.243 4.110 4.350 0.005 0.000 0.193 400 E C 1.859 178.030 176.600 -0.715 0.000 0.989 400 E CA 1.183 57.190 56.400 -0.656 0.000 0.800 400 E CB 0.016 29.409 29.700 -0.512 0.000 0.746 400 E HN 0.490 nan 8.360 nan 0.000 0.452 401 Q N -0.052 119.450 119.800 -0.496 0.000 2.124 401 Q HA -0.120 4.223 4.340 0.005 0.000 0.202 401 Q C 2.067 177.847 176.000 -0.366 0.000 0.977 401 Q CA 1.398 56.982 55.803 -0.365 0.000 0.850 401 Q CB -0.323 28.218 28.738 -0.327 0.000 0.901 401 Q HN 0.395 nan 8.270 nan 0.000 0.429 402 A N 0.517 123.052 122.820 -0.475 0.000 1.898 402 A HA -0.102 4.221 4.320 0.005 0.000 0.216 402 A C 2.262 179.655 177.584 -0.318 0.000 1.181 402 A CA 0.891 52.721 52.037 -0.344 0.000 0.620 402 A CB -0.661 18.153 19.000 -0.309 0.000 0.819 402 A HN 0.305 nan 8.150 nan 0.000 0.442 403 L N -1.368 119.500 121.223 -0.591 0.000 2.046 403 L HA -0.226 4.117 4.340 0.005 0.000 0.208 403 L C 2.531 179.279 176.870 -0.204 0.000 1.077 403 L CA 1.669 56.098 54.840 -0.685 0.000 0.747 403 L CB -0.642 40.792 42.059 -1.041 0.000 0.896 403 L HN 0.550 nan 8.230 nan 0.000 0.432 404 H N -1.430 117.484 119.070 -0.260 0.000 2.389 404 H HA -0.208 4.351 4.556 0.005 0.000 0.299 404 H C 2.243 177.492 175.328 -0.131 0.000 1.081 404 H CA 1.055 56.995 56.048 -0.179 0.000 1.345 404 H CB 0.218 29.870 29.762 -0.184 0.000 1.393 404 H HN 0.377 nan 8.280 nan 0.000 0.520 405 Q N 0.711 120.508 119.800 -0.005 0.000 2.224 405 Q HA -0.069 4.274 4.340 0.005 0.000 0.203 405 Q C 1.931 177.924 176.000 -0.011 0.000 0.970 405 Q CA 0.915 56.701 55.803 -0.028 0.000 0.865 405 Q CB 0.103 28.808 28.738 -0.055 0.000 0.922 405 Q HN 0.436 nan 8.270 nan 0.000 0.445 406 A N -0.627 122.211 122.820 0.030 0.000 2.251 406 A HA 0.327 4.650 4.320 0.005 0.000 0.209 406 A C 1.316 178.884 177.584 -0.026 0.000 1.187 406 A CA 0.695 52.786 52.037 0.091 0.000 0.823 406 A CB -0.165 19.006 19.000 0.285 0.000 0.846 406 A HN 0.561 nan 8.150 nan 0.000 0.486 407 G N -1.806 106.954 108.800 -0.067 0.000 2.132 407 G HA2 -0.237 3.726 3.960 0.005 0.000 0.234 407 G HA3 -0.237 3.726 3.960 0.005 0.000 0.234 407 G C -0.115 174.597 174.900 -0.313 0.000 0.989 407 G CA 0.156 45.130 45.100 -0.209 0.000 0.676 407 G HN 0.314 nan 8.290 nan 0.000 0.522 408 F N 1.096 120.949 119.950 -0.161 0.000 2.399 408 F HA 0.599 5.128 4.527 0.004 0.000 0.328 408 F C 0.936 176.626 175.800 -0.183 0.000 1.084 408 F CA -0.805 57.072 58.000 -0.205 0.000 1.053 408 F CB 0.922 39.718 39.000 -0.341 0.000 1.209 408 F HN 0.077 nan 8.300 nan 0.000 0.502 409 E N 0.325 120.473 120.200 -0.087 0.000 2.283 409 E HA 0.550 4.903 4.350 0.005 0.000 0.271 409 E C -0.471 175.693 176.600 -0.727 0.000 1.031 409 E CA -0.605 55.631 56.400 -0.272 0.000 0.868 409 E CB 1.706 31.308 29.700 -0.163 0.000 1.094 409 E HN 0.694 nan 8.360 nan 0.000 0.401 410 T N -0.525 113.613 114.554 -0.693 0.000 2.778 410 T HA 0.617 4.970 4.350 0.005 0.000 0.293 410 T C -0.731 173.632 174.700 -0.561 0.000 1.144 410 T CA -1.133 60.474 62.100 -0.822 0.000 1.010 410 T CB 2.074 70.653 68.868 -0.482 0.000 1.325 410 T HN 0.287 nan 8.240 nan 0.000 0.515 411 R N 0.660 120.946 120.500 -0.356 0.000 2.522 411 R HA 0.415 4.758 4.340 0.005 0.000 0.273 411 R C -1.761 174.514 176.300 -0.041 0.000 1.133 411 R CA -0.615 55.435 56.100 -0.083 0.000 0.969 411 R CB 1.473 31.796 30.300 0.037 0.000 1.235 411 R HN 0.853 nan 8.270 nan 0.000 0.433 412 I N 5.809 126.380 120.570 0.002 0.000 2.315 412 I HA 0.320 4.493 4.170 0.005 0.000 0.291 412 I C 0.194 176.353 176.117 0.070 0.000 1.006 412 I CA -0.651 60.666 61.300 0.030 0.000 1.265 412 I CB 1.185 39.191 38.000 0.009 0.000 1.387 412 I HN 0.281 nan 8.210 nan 0.000 0.475 413 L N 7.264 128.547 121.223 0.100 0.000 2.272 413 L HA 0.513 4.856 4.340 0.005 0.000 0.289 413 L C -0.020 176.901 176.870 0.085 0.000 1.032 413 L CA -0.658 54.246 54.840 0.106 0.000 0.810 413 L CB 0.894 43.036 42.059 0.139 0.000 1.205 413 L HN 0.514 nan 8.230 nan 0.000 0.422 414 R N 2.932 123.470 120.500 0.063 0.000 2.246 414 R HA 0.597 4.940 4.340 0.005 0.000 0.332 414 R C 0.342 176.688 176.300 0.077 0.000 0.974 414 R CA -0.196 55.929 56.100 0.042 0.000 0.837 414 R CB 1.702 32.009 30.300 0.013 0.000 1.145 414 R HN 0.911 nan 8.270 nan 0.000 0.467 415 G N 1.583 110.474 108.800 0.152 0.000 2.693 415 G HA2 -0.279 3.684 3.960 0.005 0.000 0.226 415 G HA3 -0.279 3.684 3.960 0.005 0.000 0.226 415 G C 0.190 175.186 174.900 0.159 0.000 1.354 415 G CA -0.598 44.632 45.100 0.216 0.000 0.873 415 G HN 0.538 nan 8.290 nan 0.000 0.562 416 L N -0.507 120.754 121.223 0.065 0.000 2.766 416 L HA 0.258 4.601 4.340 0.005 0.000 0.242 416 L C 1.929 178.754 176.870 -0.074 0.000 1.136 416 L CA 0.468 55.282 54.840 -0.043 0.000 0.933 416 L CB 0.314 42.294 42.059 -0.132 0.000 1.241 416 L HN 0.574 nan 8.230 nan 0.000 0.522 417 D N 0.866 121.244 120.400 -0.037 0.000 2.221 417 D HA -0.242 4.401 4.640 0.005 0.000 0.204 417 D C 1.979 178.248 176.300 -0.051 0.000 0.982 417 D CA 1.091 55.064 54.000 -0.045 0.000 0.857 417 D CB 0.221 41.011 40.800 -0.018 0.000 0.934 417 D HN 0.297 nan 8.370 nan 0.000 0.475 418 E N -0.430 119.748 120.200 -0.037 0.000 2.347 418 E HA -0.084 4.269 4.350 0.005 0.000 0.196 418 E C -0.147 176.408 176.600 -0.076 0.000 1.008 418 E CA 0.018 56.399 56.400 -0.032 0.000 0.852 418 E CB 0.238 29.941 29.700 0.005 0.000 0.783 418 E HN 0.096 nan 8.360 nan 0.000 0.505 419 L N 0.325 121.468 121.223 -0.133 0.000 2.371 419 L HA 0.415 4.758 4.340 0.005 0.000 0.272 419 L C 0.663 177.343 176.870 -0.316 0.000 1.124 419 L CA 0.401 55.099 54.840 -0.237 0.000 0.816 419 L CB 1.275 43.150 42.059 -0.306 0.000 1.129 419 L HN 0.035 nan 8.230 nan 0.000 0.448 420 G N 1.760 110.343 108.800 -0.362 0.000 2.687 420 G HA2 0.546 4.509 3.960 0.005 0.000 0.291 420 G HA3 0.546 4.509 3.960 0.005 0.000 0.291 420 G C -2.068 172.614 174.900 -0.364 0.000 1.420 420 G CA -0.469 44.426 45.100 -0.341 0.000 0.796 420 G HN 0.333 nan 8.290 nan 0.000 0.485 421 W N 0.547 121.847 121.300 -0.001 0.000 2.781 421 W HA 0.392 5.054 4.660 0.005 0.000 0.345 421 W C -0.395 176.124 176.519 0.001 0.000 1.085 421 W CA -0.402 56.942 57.345 -0.002 0.000 1.198 421 W CB 2.128 31.593 29.460 0.008 0.000 1.423 421 W HN 0.828 nan 8.180 nan 0.000 0.532 422 D N -0.071 120.477 120.400 0.248 0.000 2.425 422 D HA 0.397 5.040 4.640 0.005 0.000 0.274 422 D C 1.172 177.542 176.300 0.116 0.000 1.242 422 D CA -0.271 53.811 54.000 0.136 0.000 1.060 422 D CB -0.044 40.809 40.800 0.088 0.000 1.112 422 D HN 0.219 nan 8.370 nan 0.000 0.561 423 A N -0.545 122.315 122.820 0.065 0.000 1.898 423 A HA 0.092 4.415 4.320 0.005 0.000 0.216 423 A C 2.170 179.762 177.584 0.012 0.000 1.181 423 A CA 2.152 54.210 52.037 0.035 0.000 0.620 423 A CB -1.433 17.581 19.000 0.023 0.000 0.819 423 A HN 0.645 nan 8.150 nan 0.000 0.442 424 A N -1.924 120.907 122.820 0.019 0.000 2.119 424 A HA 0.363 4.686 4.320 0.005 0.000 0.217 424 A C 1.799 179.374 177.584 -0.016 0.000 1.153 424 A CA 1.529 53.567 52.037 0.002 0.000 0.692 424 A CB -0.782 18.227 19.000 0.014 0.000 0.799 424 A HN 1.939 nan 8.150 nan 0.000 0.458 425 G N -1.528 107.276 108.800 0.007 0.000 2.135 425 G HA2 -0.166 3.797 3.960 0.005 0.000 0.183 425 G HA3 -0.166 3.797 3.960 0.005 0.000 0.183 425 G C -0.122 174.853 174.900 0.125 0.000 1.004 425 G CA 0.071 45.140 45.100 -0.053 0.000 0.677 425 G HN 0.563 nan 8.290 nan 0.000 0.512 426 Q N -0.483 119.426 119.800 0.183 0.000 2.259 426 Q HA 0.588 4.932 4.340 0.005 0.000 0.246 426 Q C 0.512 176.677 176.000 0.275 0.000 0.920 426 Q CA -0.467 55.453 55.803 0.194 0.000 0.895 426 Q CB 1.516 30.317 28.738 0.104 0.000 1.220 426 Q HN 0.371 nan 8.270 nan 0.000 0.439 427 L N 4.422 125.754 121.223 0.181 0.000 2.360 427 L HA 0.348 4.691 4.340 0.005 0.000 0.276 427 L C -0.175 176.656 176.870 -0.064 0.000 1.121 427 L CA -0.077 54.769 54.840 0.010 0.000 0.845 427 L CB 0.228 42.264 42.059 -0.038 0.000 1.143 427 L HN 0.539 nan 8.230 nan 0.000 0.452 428 I N -0.341 120.156 120.570 -0.122 0.000 2.828 428 I HA 0.566 4.739 4.170 0.005 0.000 0.302 428 I C -0.798 175.238 176.117 -0.135 0.000 1.101 428 I CA -1.007 60.231 61.300 -0.102 0.000 1.031 428 I CB 2.069 40.044 38.000 -0.043 0.000 1.231 428 I HN 0.418 nan 8.210 nan 0.000 0.427 429 D N 3.162 123.511 120.400 -0.086 0.000 2.507 429 D HA 0.312 4.955 4.640 0.005 0.000 0.280 429 D C 1.237 177.533 176.300 -0.008 0.000 1.219 429 D CA -0.072 53.912 54.000 -0.027 0.000 1.085 429 D CB 0.281 41.176 40.800 0.158 0.000 1.134 429 D HN 0.707 nan 8.370 nan 0.000 0.583 430 G N -1.110 107.704 108.800 0.023 0.000 2.408 430 G HA2 -0.241 3.722 3.960 0.005 0.000 0.217 430 G HA3 -0.241 3.722 3.960 0.005 0.000 0.217 430 G C 1.248 176.155 174.900 0.012 0.000 1.150 430 G CA 0.784 45.891 45.100 0.012 0.000 0.776 430 G HN 0.558 nan 8.290 nan 0.000 0.542 431 E N 0.295 120.507 120.200 0.020 0.000 2.511 431 E HA 0.243 4.596 4.350 0.005 0.000 0.196 431 E C 1.708 178.303 176.600 -0.010 0.000 1.066 431 E CA 0.720 57.122 56.400 0.005 0.000 0.871 431 E CB -0.592 29.110 29.700 0.003 0.000 0.863 431 E HN 0.421 nan 8.360 nan 0.000 0.520 432 G N 0.935 109.730 108.800 -0.009 0.000 2.176 432 G HA2 -0.359 3.604 3.960 0.005 0.000 0.253 432 G HA3 -0.359 3.604 3.960 0.005 0.000 0.253 432 G C 0.245 175.127 174.900 -0.029 0.000 0.979 432 G CA 0.294 45.384 45.100 -0.016 0.000 0.641 432 G HN 0.508 nan 8.290 nan 0.000 0.530 433 R N 0.005 120.481 120.500 -0.041 0.000 2.528 433 R HA 0.735 5.078 4.340 0.005 0.000 0.271 433 R C 0.248 176.516 176.300 -0.054 0.000 1.056 433 R CA -0.932 55.127 56.100 -0.070 0.000 1.117 433 R CB 0.877 31.075 30.300 -0.170 0.000 1.085 433 R HN 0.160 nan 8.270 nan 0.000 0.530 434 L N 1.774 122.966 121.223 -0.052 0.000 2.416 434 L HA 0.159 4.502 4.340 0.005 0.000 0.272 434 L C -0.324 176.507 176.870 -0.065 0.000 1.161 434 L CA -0.556 54.258 54.840 -0.043 0.000 0.845 434 L CB 1.338 43.393 42.059 -0.006 0.000 1.119 434 L HN 0.406 nan 8.230 nan 0.000 0.464 435 V N 3.111 122.933 119.914 -0.154 0.000 2.318 435 V HA 0.175 4.298 4.120 0.005 0.000 0.271 435 V C 0.220 176.292 176.094 -0.037 0.000 1.030 435 V CA -0.381 61.758 62.300 -0.268 0.000 0.844 435 V CB 0.851 32.396 31.823 -0.463 0.000 1.015 435 V HN 0.952 nan 8.190 nan 0.000 0.460 436 N N 1.900 120.653 118.700 0.087 0.000 2.160 436 N HA 0.191 4.934 4.740 0.005 0.000 0.226 436 N C -0.429 175.191 175.510 0.184 0.000 1.256 436 N CA -0.219 52.904 53.050 0.121 0.000 0.890 436 N CB 0.807 39.366 38.487 0.120 0.000 1.116 436 N HN 0.476 nan 8.380 nan 0.000 0.517 437 C N 0.924 120.366 119.300 0.237 0.000 2.832 437 C HA 0.772 5.235 4.460 0.005 0.000 0.383 437 C C -1.253 173.918 174.990 0.303 0.000 1.046 437 C CA -0.582 58.612 59.018 0.293 0.000 1.242 437 C CB 0.271 28.201 27.740 0.316 0.000 1.693 437 C HN 0.290 nan 8.230 nan 0.000 0.497 438 V N 3.313 123.412 119.914 0.307 0.000 2.841 438 V HA 0.875 4.998 4.120 0.005 0.000 0.310 438 V C -1.285 175.030 176.094 0.368 0.000 1.090 438 V CA -0.548 61.916 62.300 0.273 0.000 0.930 438 V CB 1.834 33.750 31.823 0.155 0.000 1.014 438 V HN 1.046 nan 8.190 nan 0.000 0.425 439 W N 5.705 127.086 121.300 0.136 0.000 2.529 439 W HA 0.790 5.453 4.660 0.005 0.000 0.321 439 W C -0.340 176.234 176.519 0.092 0.000 1.047 439 W CA -0.612 56.839 57.345 0.176 0.000 1.216 439 W CB 1.783 31.301 29.460 0.096 0.000 1.357 439 W HN 0.935 nan 8.180 nan 0.000 0.489 440 K N 2.219 122.107 120.400 -0.853 0.000 2.340 440 K HA 0.616 4.940 4.320 0.005 0.000 0.244 440 K C 0.239 176.145 176.600 -1.157 0.000 0.973 440 K CA -0.331 55.511 56.287 -0.741 0.000 0.828 440 K CB 2.079 34.358 32.500 -0.368 0.000 1.226 440 K HN 0.456 nan 8.250 nan 0.000 0.437 441 T N -3.102 111.010 114.554 -0.737 0.000 3.015 441 T HA 0.120 4.474 4.350 0.005 0.000 0.250 441 T C -0.034 174.433 174.700 -0.388 0.000 1.057 441 T CA -0.489 61.271 62.100 -0.567 0.000 1.066 441 T CB -0.309 68.313 68.868 -0.410 0.000 0.959 441 T HN 0.542 nan 8.240 nan 0.000 0.488 442 W N 2.550 123.627 121.300 -0.371 0.000 2.193 442 W HA 0.574 5.237 4.660 0.005 0.000 0.338 442 W C 0.710 177.020 176.519 -0.348 0.000 1.310 442 W CA -0.646 56.513 57.345 -0.309 0.000 1.243 442 W CB 0.262 29.534 29.460 -0.313 0.000 1.165 442 W HN 0.262 nan 8.180 nan 0.000 0.566 443 A N 3.230 126.047 122.820 -0.004 0.000 2.354 443 A HA 0.241 4.564 4.320 0.005 0.000 0.269 443 A C 0.251 177.749 177.584 -0.144 0.000 1.109 443 A CA -0.633 51.352 52.037 -0.087 0.000 0.800 443 A CB 0.207 19.187 19.000 -0.032 0.000 1.045 443 A HN 0.937 nan 8.150 nan 0.000 0.489 444 W N 0.520 121.664 121.300 -0.260 0.000 2.342 444 W HA -0.167 4.497 4.660 0.006 0.000 0.297 444 W C 1.972 177.976 176.519 -0.858 0.000 1.213 444 W CA 1.590 58.637 57.345 -0.497 0.000 1.251 444 W CB 0.136 29.251 29.460 -0.575 0.000 1.136 444 W HN 0.924 nan 8.180 nan 0.000 0.526 445 E N -0.163 119.782 120.200 -0.425 0.000 2.160 445 E HA -0.183 4.170 4.350 0.005 0.000 0.195 445 E C 1.898 178.459 176.600 -0.065 0.000 0.991 445 E CA 2.073 58.274 56.400 -0.331 0.000 0.810 445 E CB -0.505 29.155 29.700 -0.067 0.000 0.742 445 E HN 0.040 nan 8.360 nan 0.000 0.466 446 T N -0.264 114.274 114.554 -0.026 0.000 2.821 446 T HA -0.085 4.268 4.350 0.005 0.000 0.267 446 T C 1.739 176.457 174.700 0.030 0.000 1.046 446 T CA 1.299 63.426 62.100 0.046 0.000 1.139 446 T CB -0.343 68.580 68.868 0.092 0.000 0.871 446 T HN 0.351 nan 8.240 nan 0.000 0.454 447 A N 0.729 123.549 122.820 0.001 0.000 1.929 447 A HA 0.124 4.447 4.320 0.005 0.000 0.216 447 A C 2.022 179.778 177.584 0.287 0.000 1.176 447 A CA 0.837 52.926 52.037 0.086 0.000 0.628 447 A CB -0.910 18.171 19.000 0.136 0.000 0.816 447 A HN 0.587 nan 8.150 nan 0.000 0.444 448 F N 0.195 120.225 119.950 0.133 0.000 2.216 448 F HA -0.206 4.324 4.527 0.005 0.000 0.300 448 F C 2.005 177.856 175.800 0.085 0.000 1.085 448 F CA 0.556 58.623 58.000 0.112 0.000 1.326 448 F CB -0.196 38.884 39.000 0.133 0.000 1.027 448 F HN 0.232 nan 8.300 nan 0.000 0.497 449 D N 0.295 120.855 120.400 0.266 0.000 2.144 449 D HA -0.171 4.472 4.640 0.005 0.000 0.199 449 D C 2.119 178.492 176.300 0.121 0.000 0.984 449 D CA 1.080 55.182 54.000 0.170 0.000 0.834 449 D CB -0.428 40.450 40.800 0.129 0.000 0.955 449 D HN 0.405 nan 8.370 nan 0.000 0.465 450 Q N -0.116 119.744 119.800 0.100 0.000 2.291 450 Q HA -0.044 4.300 4.340 0.005 0.000 0.205 450 Q C 2.317 178.352 176.000 0.057 0.000 0.970 450 Q CA 0.517 56.355 55.803 0.058 0.000 0.876 450 Q CB 0.227 28.978 28.738 0.022 0.000 0.935 450 Q HN 0.392 nan 8.270 nan 0.000 0.455 451 I N 0.087 120.704 120.570 0.078 0.000 2.277 451 I HA -0.203 3.970 4.170 0.005 0.000 0.243 451 I C 2.249 178.423 176.117 0.095 0.000 1.094 451 I CA 0.856 62.175 61.300 0.032 0.000 1.393 451 I CB -0.113 37.889 38.000 0.003 0.000 1.078 451 I HN 0.081 nan 8.210 nan 0.000 0.417 452 R N 0.724 121.292 120.500 0.113 0.000 2.193 452 R HA -0.158 4.185 4.340 0.005 0.000 0.229 452 R C 2.029 178.389 176.300 0.101 0.000 1.110 452 R CA 1.086 57.255 56.100 0.115 0.000 0.988 452 R CB -0.137 30.233 30.300 0.116 0.000 0.871 452 R HN 0.429 nan 8.270 nan 0.000 0.458 453 E N 0.109 120.364 120.200 0.091 0.000 2.110 453 E HA -0.115 4.238 4.350 0.005 0.000 0.193 453 E C 0.945 177.595 176.600 0.083 0.000 0.988 453 E CA 1.263 57.707 56.400 0.074 0.000 0.804 453 E CB 0.096 29.832 29.700 0.060 0.000 0.745 453 E HN 0.169 nan 8.360 nan 0.000 0.458 460 A N 0.973 123.920 122.820 0.212 0.000 2.275 460 A HA 0.824 5.147 4.320 0.005 0.000 0.212 460 A C 0.577 178.221 177.584 0.101 0.000 1.201 460 A CA 0.691 52.797 52.037 0.115 0.000 0.843 460 A CB -0.439 18.594 19.000 0.056 0.000 0.873 460 A HN 1.707 nan 8.150 nan 0.000 0.492 461 A N -1.928 120.957 122.820 0.108 0.000 2.564 461 A HA 0.548 4.871 4.320 0.005 0.000 0.291 461 A C -0.738 176.757 177.584 -0.148 0.000 1.102 461 A CA -0.439 51.599 52.037 0.002 0.000 0.660 461 A CB 0.051 19.045 19.000 -0.010 0.000 1.283 461 A HN 0.397 nan 8.150 nan 0.000 0.430 462 V N 2.789 122.604 119.914 -0.167 0.000 2.509 462 V HA 0.178 4.301 4.120 0.005 0.000 0.297 462 V C -1.561 174.362 176.094 -0.283 0.000 1.014 462 V CA 0.063 62.200 62.300 -0.271 0.000 1.127 462 V CB 0.680 32.425 31.823 -0.130 0.000 0.925 462 V HN 0.657 nan 8.190 nan 0.000 0.480 463 P HA 0.160 nan 4.420 nan 0.000 0.235 463 P C -0.307 176.908 177.300 -0.141 0.000 1.765 463 P CA 0.021 62.942 63.100 -0.298 0.000 1.034 463 P CB -0.386 31.061 31.700 -0.421 0.000 1.984 464 I N -1.383 119.136 120.570 -0.084 0.000 2.428 464 I HA 0.497 4.670 4.170 0.005 0.000 0.296 464 I C 0.230 176.333 176.117 -0.023 0.000 0.985 464 I CA -1.410 59.879 61.300 -0.019 0.000 1.260 464 I CB 1.588 39.600 38.000 0.020 0.000 1.389 464 I HN -0.118 nan 8.210 nan 0.000 0.484 465 R N 3.000 123.508 120.500 0.014 0.000 2.490 465 R HA 0.375 4.718 4.340 0.005 0.000 0.278 465 R C 0.200 176.308 176.300 -0.319 0.000 1.069 465 R CA -0.073 55.951 56.100 -0.128 0.000 1.080 465 R CB 0.859 31.133 30.300 -0.043 0.000 1.030 465 R HN 0.862 nan 8.270 nan 0.000 0.491 466 T N -2.129 112.043 114.554 -0.636 0.000 3.288 466 T HA 0.372 4.725 4.350 0.005 0.000 0.293 466 T C 0.283 174.217 174.700 -1.276 0.000 1.008 466 T CA -0.388 61.210 62.100 -0.835 0.000 0.929 466 T CB 0.850 69.508 68.868 -0.350 0.000 1.152 466 T HN 0.782 nan 8.240 nan 0.000 0.517 467 G N 0.149 107.993 108.800 -1.593 0.000 2.404 467 G HA2 0.464 4.428 3.960 0.005 0.000 0.298 467 G HA3 0.464 4.428 3.960 0.005 0.000 0.298 467 G C -2.331 172.263 174.900 -0.509 0.000 1.577 467 G CA -0.729 43.805 45.100 -0.943 0.000 0.847 467 G HN 0.438 nan 8.290 nan 0.000 0.598 468 H N 2.509 121.499 119.070 -0.133 0.000 3.087 468 H HA 0.357 4.916 4.556 0.005 0.000 0.348 468 H C -1.996 173.391 175.328 0.098 0.000 1.092 468 H CA -1.029 55.052 56.048 0.055 0.000 1.285 468 H CB 3.317 33.257 29.762 0.296 0.000 1.875 468 H HN 0.362 nan 8.280 nan 0.000 0.512 469 P HA -0.135 nan 4.420 nan 0.000 0.218 469 P C 0.498 177.836 177.300 0.064 0.000 1.146 469 P CA 1.179 64.211 63.100 -0.113 0.000 0.813 469 P CB 0.588 32.168 31.700 -0.201 0.000 0.778 470 Q N -1.738 118.239 119.800 0.296 0.000 2.247 470 Q HA 0.189 4.532 4.340 0.005 0.000 0.211 470 Q C 0.221 176.421 176.000 0.333 0.000 0.861 470 Q CA -0.157 55.851 55.803 0.341 0.000 0.949 470 Q CB -0.159 28.791 28.738 0.354 0.000 1.115 470 Q HN 0.044 nan 8.270 nan 0.000 0.507 471 N N 1.462 120.436 118.700 0.456 0.000 2.754 471 N HA -0.210 4.533 4.740 0.005 0.000 0.248 471 N C -0.915 174.645 175.510 0.084 0.000 1.093 471 N CA 0.727 53.968 53.050 0.318 0.000 0.699 471 N CB -0.590 37.988 38.487 0.152 0.000 1.016 471 N HN 0.528 nan 8.380 nan 0.000 0.552 472 E N 0.805 120.983 120.200 -0.038 0.000 1.996 472 E HA 0.257 4.610 4.350 0.005 0.000 0.280 472 E C -0.460 176.004 176.600 -0.227 0.000 1.092 472 E CA -0.374 55.857 56.400 -0.282 0.000 0.862 472 E CB 0.557 29.913 29.700 -0.572 0.000 1.066 472 E HN 0.035 nan 8.360 nan 0.000 0.396 473 V N 5.899 125.600 119.914 -0.356 0.000 2.406 473 V HA 0.293 4.416 4.120 0.005 0.000 0.272 473 V C 0.551 176.501 176.094 -0.241 0.000 1.043 473 V CA -0.407 61.626 62.300 -0.444 0.000 0.915 473 V CB 1.066 32.464 31.823 -0.707 0.000 0.988 473 V HN 0.683 nan 8.190 nan 0.000 0.466 474 R N 2.778 123.200 120.500 -0.131 0.000 2.553 474 R HA 0.432 4.775 4.340 0.005 0.000 0.263 474 R C 1.303 177.469 176.300 -0.223 0.000 1.066 474 R CA -0.837 55.172 56.100 -0.153 0.000 1.135 474 R CB 0.818 31.069 30.300 -0.080 0.000 1.148 474 R HN 0.592 nan 8.270 nan 0.000 0.558 475 L N 1.182 122.210 121.223 -0.326 0.000 2.012 475 L HA -0.181 4.162 4.340 0.005 0.000 0.210 475 L C 2.146 178.855 176.870 -0.269 0.000 1.073 475 L CA 1.754 56.314 54.840 -0.466 0.000 0.748 475 L CB -0.221 41.428 42.059 -0.683 0.000 0.891 475 L HN 0.713 nan 8.230 nan 0.000 0.431 476 I N -0.185 120.298 120.570 -0.144 0.000 2.454 476 I HA -0.307 3.866 4.170 0.005 0.000 0.254 476 I C 1.571 177.694 176.117 0.009 0.000 1.156 476 I CA 1.348 62.632 61.300 -0.026 0.000 1.433 476 I CB -0.187 37.823 38.000 0.017 0.000 1.082 476 I HN 0.329 nan 8.210 nan 0.000 0.432 477 D N 0.106 120.512 120.400 0.010 0.000 2.350 477 D HA -0.098 4.545 4.640 0.005 0.000 0.216 477 D C 2.021 178.364 176.300 0.071 0.000 0.968 477 D CA 0.919 54.984 54.000 0.108 0.000 0.894 477 D CB 0.240 41.185 40.800 0.242 0.000 0.909 477 D HN 0.326 nan 8.370 nan 0.000 0.520 478 V N 0.398 120.291 119.914 -0.034 0.000 2.635 478 V HA -0.037 4.086 4.120 0.005 0.000 0.233 478 V C 2.569 178.658 176.094 -0.009 0.000 1.097 478 V CA 0.225 62.493 62.300 -0.054 0.000 1.134 478 V CB -0.494 31.241 31.823 -0.146 0.000 0.841 478 V HN 0.064 nan 8.190 nan 0.000 0.496 479 L N 0.257 121.449 121.223 -0.052 0.000 2.129 479 L HA -0.154 4.189 4.340 0.005 0.000 0.212 479 L C 1.838 178.852 176.870 0.241 0.000 1.087 479 L CA 1.160 56.010 54.840 0.017 0.000 0.757 479 L CB -0.456 41.494 42.059 -0.182 0.000 0.896 479 L HN 0.311 nan 8.230 nan 0.000 0.434 480 L N -0.283 121.057 121.223 0.195 0.000 2.741 480 L HA 0.181 4.524 4.340 0.005 0.000 0.237 480 L C 0.845 177.786 176.870 0.119 0.000 1.178 480 L CA 0.357 55.309 54.840 0.187 0.000 0.973 480 L CB -0.532 41.623 42.059 0.160 0.000 1.255 480 L HN 0.173 nan 8.230 nan 0.000 0.498 481 R N 1.286 121.854 120.500 0.113 0.000 2.267 481 R HA 0.138 4.481 4.340 0.005 0.000 0.319 481 R C -1.191 175.168 176.300 0.098 0.000 1.067 481 R CA -1.431 54.727 56.100 0.097 0.000 0.936 481 R CB 1.256 31.617 30.300 0.102 0.000 1.006 481 R HN -0.054 nan 8.270 nan 0.000 0.452 482 P HA -0.244 nan 4.420 nan 0.000 0.217 482 P C 0.429 177.781 177.300 0.086 0.000 1.151 482 P CA 1.430 64.577 63.100 0.079 0.000 0.849 482 P CB 0.137 31.873 31.700 0.060 0.000 0.787 483 E N -0.946 119.304 120.200 0.084 0.000 2.502 483 E HA 0.035 4.388 4.350 0.005 0.000 0.194 483 E C -0.122 176.538 176.600 0.100 0.000 1.062 483 E CA 0.157 56.610 56.400 0.087 0.000 0.867 483 E CB -0.178 29.568 29.700 0.077 0.000 0.888 483 E HN 0.000 nan 8.360 nan 0.000 0.510 484 V N 2.455 122.432 119.914 0.105 0.000 2.383 484 V HA 0.123 4.246 4.120 0.005 0.000 0.275 484 V C -0.259 175.917 176.094 0.137 0.000 1.036 484 V CA -0.768 61.601 62.300 0.115 0.000 0.889 484 V CB 1.240 33.120 31.823 0.095 0.000 0.985 484 V HN 0.251 nan 8.190 nan 0.000 0.459 485 L N 7.859 129.178 121.223 0.160 0.000 2.295 485 L HA 0.411 4.754 4.340 0.005 0.000 0.288 485 L C -0.145 176.824 176.870 0.165 0.000 1.079 485 L CA 0.646 55.579 54.840 0.154 0.000 0.830 485 L CB 0.816 43.003 42.059 0.214 0.000 1.200 485 L HN 0.444 nan 8.230 nan 0.000 0.438 486 V N 5.820 125.791 119.914 0.095 0.000 2.532 486 V HA 0.468 4.591 4.120 0.005 0.000 0.295 486 V C -0.375 175.709 176.094 -0.017 0.000 1.041 486 V CA -0.355 62.028 62.300 0.140 0.000 0.926 486 V CB 1.423 33.378 31.823 0.221 0.000 0.992 486 V HN 0.485 nan 8.190 nan 0.000 0.457 487 F N 1.605 121.700 119.950 0.241 0.000 2.547 487 F HA 0.493 5.024 4.527 0.006 0.000 0.316 487 F C 0.404 176.287 175.800 0.139 0.000 1.121 487 F CA -0.835 57.331 58.000 0.277 0.000 0.911 487 F CB 1.629 40.910 39.000 0.468 0.000 1.179 487 F HN 0.373 nan 8.300 nan 0.000 0.443 488 E N 3.222 123.564 120.200 0.237 0.000 2.390 488 E HA 0.220 4.573 4.350 0.005 0.000 0.261 488 E C -2.350 174.387 176.600 0.229 0.000 1.076 488 E CA -1.953 54.579 56.400 0.220 0.000 0.905 488 E CB 0.266 30.024 29.700 0.098 0.000 0.984 488 E HN 0.199 nan 8.360 nan 0.000 0.427 489 P HA -0.040 nan 4.420 nan 0.000 0.270 489 P C 0.947 178.149 177.300 -0.163 0.000 1.223 489 P CA -0.241 62.817 63.100 -0.071 0.000 0.785 489 P CB 0.503 32.077 31.700 -0.210 0.000 0.923 490 L N 3.046 124.096 121.223 -0.288 0.000 2.079 490 L HA -0.135 4.208 4.340 0.005 0.000 0.210 490 L C 1.923 178.522 176.870 -0.453 0.000 1.081 490 L CA 1.644 55.975 54.840 -0.848 0.000 0.752 490 L CB -1.310 40.327 42.059 -0.702 0.000 0.896 490 L HN 0.575 nan 8.230 nan 0.000 0.433 491 W N -0.829 120.379 121.300 -0.154 0.000 2.387 491 W HA -0.193 4.470 4.660 0.006 0.000 0.272 491 W C 1.834 178.292 176.519 -0.101 0.000 1.224 491 W CA 1.156 58.439 57.345 -0.103 0.000 1.210 491 W CB -1.948 27.561 29.460 0.082 0.000 1.125 491 W HN 0.459 nan 8.180 nan 0.000 0.572 492 T N 0.245 114.434 114.554 -0.608 0.000 3.077 492 T HA -0.165 4.188 4.350 0.005 0.000 0.269 492 T C 1.777 176.375 174.700 -0.170 0.000 1.146 492 T CA 1.582 63.365 62.100 -0.527 0.000 1.091 492 T CB -0.953 67.541 68.868 -0.624 0.000 0.892 492 T HN 0.203 nan 8.240 nan 0.000 0.533 493 V N -1.325 118.518 119.914 -0.119 0.000 3.141 493 V HA 0.077 4.200 4.120 0.005 0.000 0.265 493 V C 2.211 178.343 176.094 0.063 0.000 1.126 493 V CA 0.402 62.700 62.300 -0.002 0.000 1.141 493 V CB -1.064 30.800 31.823 0.068 0.000 0.743 493 V HN 0.331 nan 8.190 nan 0.000 0.492 494 I N 1.342 121.916 120.570 0.008 0.000 2.206 494 I HA 0.044 4.217 4.170 0.005 0.000 0.239 494 I C 0.402 176.611 176.117 0.153 0.000 1.078 494 I CA 1.013 62.285 61.300 -0.048 0.000 1.367 494 I CB -2.471 35.351 38.000 -0.297 0.000 1.078 494 I HN 0.323 nan 8.210 nan 0.000 0.413 495 P HA -0.072 nan 4.420 nan 0.000 0.226 495 P C 1.359 178.775 177.300 0.194 0.000 1.153 495 P CA 1.404 64.686 63.100 0.304 0.000 0.777 495 P CB -0.122 31.764 31.700 0.310 0.000 0.794 496 G N -0.694 108.136 108.800 0.050 0.000 2.985 496 G HA2 -0.067 3.896 3.960 0.005 0.000 0.209 496 G HA3 -0.067 3.896 3.960 0.005 0.000 0.209 496 G C 0.438 175.383 174.900 0.075 0.000 1.165 496 G CA -0.183 44.916 45.100 -0.002 0.000 0.776 496 G HN 0.339 nan 8.290 nan 0.000 0.541 497 N N -0.455 118.352 118.700 0.177 0.000 2.419 497 N HA 0.319 5.062 4.740 0.005 0.000 0.277 497 N C 1.040 176.614 175.510 0.107 0.000 1.006 497 N CA -0.575 52.580 53.050 0.176 0.000 0.923 497 N CB 1.023 39.744 38.487 0.389 0.000 1.140 497 N HN -0.232 nan 8.380 nan 0.000 0.488 498 K N 2.454 122.853 120.400 -0.003 0.000 2.442 498 K HA -0.014 4.309 4.320 0.005 0.000 0.198 498 K C 1.381 177.887 176.600 -0.156 0.000 1.044 498 K CA 0.721 56.974 56.287 -0.057 0.000 0.948 498 K CB -0.039 32.402 32.500 -0.100 0.000 0.762 498 K HN 0.652 nan 8.250 nan 0.000 0.472 499 A N 0.173 122.828 122.820 -0.275 0.000 2.172 499 A HA -0.088 4.235 4.320 0.005 0.000 0.216 499 A C 1.941 179.299 177.584 -0.377 0.000 1.154 499 A CA 0.816 52.590 52.037 -0.438 0.000 0.701 499 A CB -0.451 17.925 19.000 -1.039 0.000 0.789 499 A HN 0.360 nan 8.150 nan 0.000 0.465 500 I N -0.760 119.740 120.570 -0.116 0.000 2.928 500 I HA -0.091 4.082 4.170 0.005 0.000 0.266 500 I C 1.931 178.026 176.117 -0.037 0.000 1.234 500 I CA 0.564 61.936 61.300 0.120 0.000 1.483 500 I CB 0.001 38.154 38.000 0.256 0.000 1.097 500 I HN 0.321 nan 8.210 nan 0.000 0.455 501 L N 1.039 122.195 121.223 -0.112 0.000 2.017 501 L HA -0.108 4.235 4.340 0.005 0.000 0.208 501 L C -0.369 176.428 176.870 -0.121 0.000 1.073 501 L CA 1.368 56.129 54.840 -0.131 0.000 0.745 501 L CB -2.036 39.940 42.059 -0.139 0.000 0.894 501 L HN 0.220 nan 8.230 nan 0.000 0.432 502 P HA -0.132 nan 4.420 nan 0.000 0.218 502 P C 1.788 179.098 177.300 0.016 0.000 1.149 502 P CA 1.323 64.312 63.100 -0.185 0.000 0.817 502 P CB 0.073 31.439 31.700 -0.557 0.000 0.785 503 I N -1.486 119.095 120.570 0.019 0.000 2.252 503 I HA -0.198 3.975 4.170 0.005 0.000 0.245 503 I C 2.246 178.383 176.117 0.033 0.000 1.102 503 I CA 1.262 62.594 61.300 0.053 0.000 1.385 503 I CB -0.654 37.397 38.000 0.085 0.000 1.064 503 I HN -0.077 nan 8.210 nan 0.000 0.414 504 L N -0.060 121.179 121.223 0.027 0.000 2.046 504 L HA -0.249 4.094 4.340 0.005 0.000 0.208 504 L C 2.541 179.516 176.870 0.175 0.000 1.077 504 L CA 1.570 56.464 54.840 0.088 0.000 0.747 504 L CB -0.513 41.499 42.059 -0.079 0.000 0.896 504 L HN 0.518 nan 8.230 nan 0.000 0.432 505 W N -0.047 121.221 121.300 -0.053 0.000 2.363 505 W HA -0.247 4.416 4.660 0.005 0.000 0.296 505 W C 2.719 179.201 176.519 -0.061 0.000 1.212 505 W CA 1.670 58.980 57.345 -0.059 0.000 1.260 505 W CB -0.089 29.306 29.460 -0.107 0.000 1.131 505 W HN 0.235 nan 8.180 nan 0.000 0.530 506 S N 0.814 116.524 115.700 0.015 0.000 2.356 506 S HA -0.212 4.261 4.470 0.005 0.000 0.223 506 S C 2.008 176.485 174.600 -0.206 0.000 1.032 506 S CA 1.665 59.811 58.200 -0.091 0.000 1.005 506 S CB -0.613 62.580 63.200 -0.011 0.000 0.867 506 S HN 0.308 nan 8.310 nan 0.000 0.449 507 L N -0.773 120.309 121.223 -0.235 0.000 2.109 507 L HA 0.141 4.484 4.340 0.005 0.000 0.207 507 L C 0.125 176.550 176.870 -0.741 0.000 1.086 507 L CA 0.765 55.304 54.840 -0.502 0.000 0.760 507 L CB -0.164 41.516 42.059 -0.632 0.000 0.910 507 L HN 0.306 nan 8.230 nan 0.000 0.437 508 F N 0.116 119.950 119.950 -0.193 0.000 2.531 508 F HA 0.323 4.853 4.527 0.005 0.000 0.333 508 F C -2.239 173.310 175.800 -0.419 0.000 1.292 508 F CA -2.463 55.410 58.000 -0.211 0.000 1.184 508 F CB 0.136 39.029 39.000 -0.178 0.000 1.426 508 F HN -0.183 nan 8.300 nan 0.000 0.559 509 P HA 0.056 nan 4.420 nan 0.000 0.271 509 P C -0.359 176.470 177.300 -0.786 0.000 1.220 509 P CA 0.540 63.020 63.100 -1.033 0.000 0.768 509 P CB 0.452 31.721 31.700 -0.719 0.000 0.848 510 H N -2.263 116.106 119.070 -1.168 0.000 2.992 510 H HA -0.193 4.366 4.556 0.005 0.000 0.266 510 H C 0.783 176.024 175.328 -0.145 0.000 1.200 510 H CA 0.615 56.431 56.048 -0.386 0.000 1.135 510 H CB -2.416 27.239 29.762 -0.178 0.000 1.282 510 H HN 0.623 nan 8.280 nan 0.000 0.351 511 H N 2.046 121.010 119.070 -0.176 0.000 2.928 511 H HA 0.047 4.606 4.556 0.005 0.000 0.338 511 H C 1.631 176.906 175.328 -0.088 0.000 1.047 511 H CA 0.936 56.918 56.048 -0.109 0.000 1.435 511 H CB 0.638 30.337 29.762 -0.105 0.000 1.428 511 H HN 0.631 nan 8.280 nan 0.000 0.590 512 R N 3.474 123.719 120.500 -0.424 0.000 2.185 512 R HA -0.198 4.145 4.340 0.005 0.000 0.247 512 R C 0.361 176.566 176.300 -0.160 0.000 1.159 512 R CA 1.757 57.656 56.100 -0.335 0.000 0.988 512 R CB -0.363 29.601 30.300 -0.560 0.000 0.871 512 R HN 0.479 nan 8.270 nan 0.000 0.458 513 Y N 0.862 121.301 120.300 0.231 0.000 2.462 513 Y HA 0.370 4.923 4.550 0.005 0.000 0.261 513 Y C 0.887 176.811 175.900 0.039 0.000 1.146 513 Y CA -0.583 57.594 58.100 0.128 0.000 1.283 513 Y CB 0.264 38.832 38.460 0.180 0.000 1.090 513 Y HN -0.082 nan 8.280 nan 0.000 0.526 514 L N 0.583 121.956 121.223 0.251 0.000 2.360 514 L HA 0.450 4.793 4.340 0.005 0.000 0.271 514 L C -0.512 176.437 176.870 0.132 0.000 1.057 514 L CA -0.719 54.245 54.840 0.206 0.000 0.803 514 L CB 1.527 43.805 42.059 0.365 0.000 1.207 514 L HN -0.133 nan 8.230 nan 0.000 0.445 515 L N 0.982 122.172 121.223 -0.054 0.000 2.334 515 L HA 0.325 4.669 4.340 0.005 0.000 0.276 515 L C -0.239 176.220 176.870 -0.685 0.000 1.014 515 L CA -0.755 53.918 54.840 -0.280 0.000 0.815 515 L CB 1.761 43.707 42.059 -0.189 0.000 1.268 515 L HN 0.514 nan 8.230 nan 0.000 0.428 516 D N 2.088 121.708 120.400 -1.300 0.000 2.434 516 D HA 0.098 4.741 4.640 0.005 0.000 0.252 516 D C -0.328 175.391 176.300 -0.969 0.000 1.185 516 D CA 0.363 53.100 54.000 -2.105 0.000 0.886 516 D CB 0.828 40.743 40.800 -1.474 0.000 1.148 516 D HN 0.569 nan 8.370 nan 0.000 0.483 517 T N 1.497 115.570 114.554 -0.803 0.000 2.909 517 T HA 0.569 4.922 4.350 0.005 0.000 0.299 517 T C -1.138 173.357 174.700 -0.343 0.000 1.073 517 T CA -0.857 60.996 62.100 -0.413 0.000 0.999 517 T CB 2.194 70.886 68.868 -0.293 0.000 1.098 517 T HN 0.294 nan 8.240 nan 0.000 0.477 518 D N 0.524 120.763 120.400 -0.269 0.000 2.626 518 D HA 0.438 5.081 4.640 0.005 0.000 0.278 518 D C -0.417 175.766 176.300 -0.195 0.000 1.211 518 D CA -1.020 52.843 54.000 -0.228 0.000 0.903 518 D CB 1.321 42.061 40.800 -0.101 0.000 1.408 518 D HN 0.519 nan 8.370 nan 0.000 0.454 519 F N -0.046 119.943 119.950 0.065 0.000 2.732 519 F HA 0.275 4.805 4.527 0.005 0.000 0.303 519 F C 0.764 176.662 175.800 0.162 0.000 1.110 519 F CA 0.368 58.439 58.000 0.118 0.000 1.355 519 F CB 0.708 39.726 39.000 0.030 0.000 1.081 519 F HN -0.031 nan 8.300 nan 0.000 0.565 520 T N -0.861 113.772 114.554 0.131 0.000 2.843 520 T HA 0.362 4.715 4.350 0.005 0.000 0.302 520 T C -0.806 173.547 174.700 -0.578 0.000 1.232 520 T CA -0.615 61.331 62.100 -0.258 0.000 1.009 520 T CB 2.406 71.194 68.868 -0.133 0.000 1.254 520 T HN -0.403 nan 8.240 nan 0.000 0.504 521 V N 4.280 123.679 119.914 -0.858 0.000 2.356 521 V HA 0.245 4.368 4.120 0.005 0.000 0.258 521 V C 0.942 176.793 176.094 -0.404 0.000 1.065 521 V CA -0.711 61.110 62.300 -0.799 0.000 0.935 521 V CB -0.643 30.591 31.823 -0.982 0.000 1.061 521 V HN 0.807 nan 8.190 nan 0.000 0.484 522 N N 3.372 121.910 118.700 -0.269 0.000 2.366 522 N HA 0.154 4.897 4.740 0.005 0.000 0.277 522 N C 0.251 175.700 175.510 -0.101 0.000 1.275 522 N CA -0.677 52.286 53.050 -0.145 0.000 0.964 522 N CB 1.113 39.548 38.487 -0.086 0.000 1.167 522 N HN 0.414 nan 8.380 nan 0.000 0.568 523 D N 0.507 120.878 120.400 -0.049 0.000 2.092 523 D HA -0.181 4.462 4.640 0.005 0.000 0.193 523 D C 1.475 177.775 176.300 0.001 0.000 0.994 523 D CA 1.866 55.856 54.000 -0.017 0.000 0.828 523 D CB -0.203 40.598 40.800 0.002 0.000 0.963 523 D HN 0.604 nan 8.370 nan 0.000 0.450 524 E N 0.858 121.064 120.200 0.009 0.000 2.110 524 E HA -0.075 4.279 4.350 0.005 0.000 0.193 524 E C 2.399 179.011 176.600 0.020 0.000 0.988 524 E CA 0.299 56.716 56.400 0.029 0.000 0.804 524 E CB -0.294 29.436 29.700 0.050 0.000 0.745 524 E HN 0.267 nan 8.360 nan 0.000 0.458 525 L N 0.149 121.360 121.223 -0.019 0.000 2.017 525 L HA -0.156 4.187 4.340 0.005 0.000 0.208 525 L C 2.441 179.373 176.870 0.103 0.000 1.073 525 L CA 0.831 55.672 54.840 0.003 0.000 0.745 525 L CB -0.519 41.462 42.059 -0.130 0.000 0.894 525 L HN 0.122 nan 8.230 nan 0.000 0.432 526 V N 0.437 120.378 119.914 0.045 0.000 2.392 526 V HA -0.300 3.823 4.120 0.005 0.000 0.249 526 V C 2.720 178.887 176.094 0.121 0.000 1.059 526 V CA 1.913 64.282 62.300 0.115 0.000 1.051 526 V CB -0.420 31.429 31.823 0.042 0.000 0.658 526 V HN 0.435 nan 8.190 nan 0.000 0.455 527 K N 0.186 120.635 120.400 0.082 0.000 2.217 527 K HA -0.104 4.219 4.320 0.005 0.000 0.202 527 K C 1.889 178.537 176.600 0.080 0.000 1.051 527 K CA 2.011 58.343 56.287 0.075 0.000 0.952 527 K CB -0.357 32.175 32.500 0.053 0.000 0.736 527 K HN 0.716 nan 8.250 nan 0.000 0.453 528 T N -3.059 111.549 114.554 0.090 0.000 3.014 528 T HA 0.303 4.656 4.350 0.005 0.000 0.250 528 T C 0.800 175.559 174.700 0.098 0.000 1.060 528 T CA 0.338 62.476 62.100 0.064 0.000 1.040 528 T CB 0.166 69.076 68.868 0.069 0.000 0.971 528 T HN 0.370 nan 8.240 nan 0.000 0.497 529 G N 1.248 110.146 108.800 0.163 0.000 2.690 529 G HA2 0.231 4.195 3.960 0.005 0.000 0.686 529 G HA3 0.231 4.195 3.960 0.005 0.000 0.686 529 G C -0.845 174.159 174.900 0.173 0.000 1.277 529 G CA -0.538 44.618 45.100 0.093 0.000 0.799 529 G HN 1.230 nan 8.290 nan 0.000 0.613 530 Y N -2.639 117.687 120.300 0.044 0.000 2.656 530 Y HA 0.851 5.405 4.550 0.005 0.000 0.334 530 Y C -0.051 175.867 175.900 0.030 0.000 1.179 530 Y CA -1.112 57.014 58.100 0.044 0.000 1.050 530 Y CB 0.784 39.288 38.460 0.074 0.000 1.308 530 Y HN 1.873 nan 8.280 nan 0.000 0.456 531 A N 1.359 124.276 122.820 0.162 0.000 2.317 531 A HA 0.759 5.082 4.320 0.005 0.000 0.327 531 A C -1.346 176.291 177.584 0.089 0.000 1.178 531 A CA -0.846 51.212 52.037 0.034 0.000 0.817 531 A CB 0.985 19.946 19.000 -0.065 0.000 1.189 531 A HN 0.700 nan 8.150 nan 0.000 0.489 532 V N 3.064 122.994 119.914 0.026 0.000 2.370 532 V HA 0.452 4.575 4.120 0.005 0.000 0.283 532 V C -0.102 175.896 176.094 -0.160 0.000 1.023 532 V CA -0.358 61.873 62.300 -0.116 0.000 0.857 532 V CB 0.979 32.811 31.823 0.016 0.000 0.985 532 V HN 0.883 nan 8.190 nan 0.000 0.443 533 K N 6.077 126.332 120.400 -0.241 0.000 2.513 533 K HA 0.473 4.796 4.320 0.005 0.000 0.251 533 K C -2.953 173.543 176.600 -0.174 0.000 0.939 533 K CA -1.802 54.380 56.287 -0.175 0.000 0.793 533 K CB 3.000 35.401 32.500 -0.166 0.000 1.241 533 K HN 0.332 nan 8.250 nan 0.000 0.431 534 P HA 0.023 nan 4.420 nan 0.000 0.268 534 P C 0.802 178.026 177.300 -0.127 0.000 1.205 534 P CA -0.123 62.921 63.100 -0.094 0.000 0.771 534 P CB 0.492 32.169 31.700 -0.038 0.000 0.858 535 I N 0.311 120.829 120.570 -0.086 0.000 2.493 535 I HA -0.022 4.151 4.170 0.005 0.000 0.254 535 I C 1.327 177.395 176.117 -0.080 0.000 1.160 535 I CA 1.351 62.601 61.300 -0.082 0.000 1.445 535 I CB -0.494 37.474 38.000 -0.054 0.000 1.086 535 I HN 0.154 nan 8.210 nan 0.000 0.433 536 A N 1.276 124.037 122.820 -0.100 0.000 2.701 536 A HA 0.676 4.999 4.320 0.005 0.000 0.297 536 A C 0.801 178.132 177.584 -0.423 0.000 1.197 536 A CA -0.044 51.915 52.037 -0.131 0.000 0.963 536 A CB -0.746 18.259 19.000 0.009 0.000 1.175 536 A HN 0.464 nan 8.150 nan 0.000 0.531 537 G N 0.399 108.854 108.800 -0.575 0.000 2.532 537 G HA2 0.682 4.646 3.960 0.005 0.000 0.291 537 G HA3 0.682 4.646 3.960 0.005 0.000 0.291 537 G C -0.097 174.392 174.900 -0.685 0.000 1.349 537 G CA -0.555 43.833 45.100 -1.186 0.000 1.038 537 G HN 0.847 nan 8.290 nan 0.000 0.518 538 R N -4.010 116.153 120.500 -0.563 0.000 2.774 538 R HA 0.375 4.718 4.340 0.005 0.000 0.279 538 R C -0.456 175.819 176.300 -0.042 0.000 1.022 538 R CA -0.292 55.685 56.100 -0.204 0.000 0.855 538 R CB 0.010 30.224 30.300 -0.144 0.000 1.279 538 R HN 1.030 nan 8.270 nan 0.000 0.485 539 C N -0.183 119.105 119.300 -0.020 0.000 4.392 539 C HA -0.076 4.387 4.460 0.005 0.000 0.280 539 C C 1.411 176.409 174.990 0.013 0.000 1.381 539 C CA 1.453 60.479 59.018 0.013 0.000 1.871 539 C CB -2.116 25.656 27.740 0.053 0.000 1.323 539 C HN 1.817 nan 8.230 nan 0.000 0.772 540 G N -0.097 108.695 108.800 -0.014 0.000 2.160 540 G HA2 -0.149 3.814 3.960 0.005 0.000 0.244 540 G HA3 -0.149 3.814 3.960 0.005 0.000 0.244 540 G C -0.073 174.834 174.900 0.012 0.000 1.022 540 G CA 0.472 45.558 45.100 -0.024 0.000 0.741 540 G HN 1.036 nan 8.290 nan 0.000 0.508 541 S N -0.031 115.710 115.700 0.068 0.000 2.562 541 S HA 0.485 4.958 4.470 0.005 0.000 0.275 541 S C 0.862 175.544 174.600 0.135 0.000 1.281 541 S CA 0.125 58.421 58.200 0.160 0.000 1.045 541 S CB 0.761 64.215 63.200 0.423 0.000 0.962 541 S HN 0.713 nan 8.310 nan 0.000 0.503 542 N N 0.732 119.499 118.700 0.111 0.000 2.714 542 N HA -0.147 4.596 4.740 0.005 0.000 0.252 542 N C -0.965 174.556 175.510 0.019 0.000 1.014 542 N CA 0.465 53.561 53.050 0.076 0.000 0.735 542 N CB -1.195 37.373 38.487 0.135 0.000 0.924 542 N HN 0.374 nan 8.380 nan 0.000 0.540 543 I N 0.179 120.742 120.570 -0.012 0.000 2.437 543 I HA 0.340 4.513 4.170 0.005 0.000 0.298 543 I C 0.150 176.239 176.117 -0.048 0.000 0.984 543 I CA -0.178 61.091 61.300 -0.052 0.000 1.214 543 I CB 1.421 39.370 38.000 -0.084 0.000 1.365 543 I HN 0.084 nan 8.210 nan 0.000 0.469 544 D N 7.045 127.414 120.400 -0.051 0.000 2.757 544 D HA 0.448 5.091 4.640 0.005 0.000 0.249 544 D C -0.665 175.585 176.300 -0.084 0.000 1.168 544 D CA -0.281 53.690 54.000 -0.048 0.000 0.870 544 D CB 2.936 43.733 40.800 -0.005 0.000 1.411 544 D HN 0.256 nan 8.370 nan 0.000 0.525 545 L N 1.794 122.948 121.223 -0.114 0.000 2.298 545 L HA 0.430 4.773 4.340 0.005 0.000 0.284 545 L C -0.408 176.345 176.870 -0.195 0.000 1.013 545 L CA -0.968 53.780 54.840 -0.152 0.000 0.824 545 L CB 1.833 43.810 42.059 -0.137 0.000 1.221 545 L HN 0.009 nan 8.230 nan 0.000 0.418 546 V N 2.289 121.998 119.914 -0.342 0.000 2.357 546 V HA 0.239 4.362 4.120 0.005 0.000 0.284 546 V C 0.576 176.480 176.094 -0.316 0.000 1.018 546 V CA -0.509 61.546 62.300 -0.409 0.000 0.841 546 V CB 1.620 32.961 31.823 -0.803 0.000 0.991 546 V HN 0.924 nan 8.190 nan 0.000 0.437 547 S N 3.881 119.491 115.700 -0.150 0.000 2.596 547 S HA 0.046 4.519 4.470 0.005 0.000 0.260 547 S C 0.982 175.537 174.600 -0.076 0.000 1.336 547 S CA -0.052 58.113 58.200 -0.058 0.000 0.993 547 S CB 0.200 63.391 63.200 -0.015 0.000 0.923 547 S HN 0.942 nan 8.310 nan 0.000 0.567 548 H N 0.568 119.521 119.070 -0.194 0.000 2.832 548 H HA 0.224 4.783 4.556 0.005 0.000 0.297 548 H C 0.275 175.385 175.328 -0.363 0.000 1.103 548 H CA 0.268 56.178 56.048 -0.229 0.000 1.201 548 H CB -0.889 28.730 29.762 -0.238 0.000 1.291 548 H HN 0.688 nan 8.280 nan 0.000 0.614 549 H N 0.496 119.444 119.070 -0.202 0.000 5.120 549 H HA 0.219 4.778 4.556 0.005 0.000 0.090 549 H C 0.673 175.952 175.328 -0.082 0.000 1.292 549 H CA 0.457 56.398 56.048 -0.179 0.000 0.528 549 H CB 0.888 30.510 29.762 -0.233 0.000 1.593 549 H HN 0.441 nan 8.280 nan 0.000 0.138 550 E N 0.457 120.706 120.200 0.082 0.000 2.537 550 E HA 0.042 4.395 4.350 0.005 0.000 0.191 550 E C -0.034 176.562 176.600 -0.007 0.000 0.987 550 E CA -0.033 56.383 56.400 0.026 0.000 1.607 550 E CB 1.044 30.757 29.700 0.022 0.000 2.499 550 E HN 0.438 nan 8.360 nan 0.000 1.073 551 E N 3.069 123.267 120.200 -0.003 0.000 2.502 551 E HA 0.086 4.439 4.350 0.005 0.000 0.261 551 E C -0.287 176.284 176.600 -0.048 0.000 0.974 551 E CA 0.047 56.433 56.400 -0.024 0.000 0.936 551 E CB 1.039 30.727 29.700 -0.020 0.000 0.926 551 E HN -0.183 nan 8.360 nan 0.000 0.459 552 V N 6.069 125.955 119.914 -0.048 0.000 2.353 552 V HA -0.000 4.123 4.120 0.005 0.000 0.264 552 V C 1.272 177.332 176.094 -0.057 0.000 1.049 552 V CA -0.195 62.068 62.300 -0.063 0.000 0.896 552 V CB 0.536 32.332 31.823 -0.045 0.000 1.025 552 V HN 0.733 nan 8.190 nan 0.000 0.475 553 L N 2.702 123.882 121.223 -0.072 0.000 2.141 553 L HA 0.110 4.453 4.340 0.005 0.000 0.209 553 L C 0.678 177.505 176.870 -0.072 0.000 1.094 553 L CA 1.209 56.010 54.840 -0.065 0.000 0.763 553 L CB -0.037 41.977 42.059 -0.076 0.000 0.908 553 L HN 0.627 nan 8.230 nan 0.000 0.437 554 D N -1.485 118.867 120.400 -0.080 0.000 2.694 554 D HA 0.347 4.990 4.640 0.005 0.000 0.260 554 D C -1.415 174.845 176.300 -0.067 0.000 1.250 554 D CA -0.605 53.351 54.000 -0.075 0.000 0.763 554 D CB 1.772 42.511 40.800 -0.101 0.000 1.311 554 D HN -0.139 nan 8.370 nan 0.000 0.420 555 K N 0.842 121.212 120.400 -0.050 0.000 2.561 555 K HA 0.570 4.893 4.320 0.005 0.000 0.254 555 K C -1.371 175.213 176.600 -0.028 0.000 0.942 555 K CA -0.535 55.730 56.287 -0.037 0.000 0.818 555 K CB 1.447 33.932 32.500 -0.024 0.000 1.306 555 K HN 0.514 nan 8.250 nan 0.000 0.435 556 T N -0.751 113.790 114.554 -0.021 0.000 2.940 556 T HA 0.521 4.874 4.350 0.005 0.000 0.288 556 T C -0.052 174.650 174.700 0.004 0.000 1.045 556 T CA -0.679 61.415 62.100 -0.010 0.000 1.018 556 T CB 1.669 70.531 68.868 -0.010 0.000 1.151 556 T HN 0.426 nan 8.240 nan 0.000 0.529 557 S N -0.733 114.971 115.700 0.006 0.000 2.745 557 S HA 0.938 5.411 4.470 0.005 0.000 0.292 557 S C 0.256 174.867 174.600 0.018 0.000 1.127 557 S CA 0.302 58.506 58.200 0.007 0.000 1.007 557 S CB 0.645 63.841 63.200 -0.006 0.000 1.165 557 S HN 1.919 nan 8.310 nan 0.000 0.544 558 G N 0.405 109.198 108.800 -0.012 0.000 2.368 558 G HA2 0.167 4.130 3.960 0.005 0.000 0.302 558 G HA3 0.167 4.130 3.960 0.005 0.000 0.302 558 G C -1.024 173.773 174.900 -0.171 0.000 1.329 558 G CA -0.663 44.406 45.100 -0.053 0.000 0.935 558 G HN 0.614 nan 8.290 nan 0.000 0.590 559 K N -0.424 119.698 120.400 -0.463 0.000 2.417 559 K HA 0.289 4.612 4.320 0.005 0.000 0.196 559 K C 0.418 176.687 176.600 -0.553 0.000 1.023 559 K CA 0.404 56.373 56.287 -0.530 0.000 1.122 559 K CB 0.033 32.176 32.500 -0.596 0.000 0.850 559 K HN 0.332 nan 8.250 nan 0.000 0.521 560 F N -0.374 119.579 119.950 0.005 0.000 2.647 560 F HA 0.293 4.823 4.527 0.005 0.000 0.300 560 F C 1.739 177.543 175.800 0.007 0.000 1.106 560 F CA -0.586 57.419 58.000 0.009 0.000 1.313 560 F CB 0.168 39.171 39.000 0.005 0.000 1.007 560 F HN -0.053 nan 8.300 nan 0.000 0.536 561 A N 0.067 122.955 122.820 0.112 0.000 2.131 561 A HA -0.136 4.187 4.320 0.005 0.000 0.220 561 A C 2.119 179.747 177.584 0.074 0.000 1.158 561 A CA 1.484 53.569 52.037 0.081 0.000 0.665 561 A CB -0.289 18.736 19.000 0.041 0.000 0.795 561 A HN 0.264 nan 8.150 nan 0.000 0.460 562 E N 0.123 120.370 120.200 0.079 0.000 2.400 562 E HA -0.026 4.327 4.350 0.005 0.000 0.195 562 E C 0.817 177.466 176.600 0.082 0.000 1.012 562 E CA 0.208 56.650 56.400 0.070 0.000 0.875 562 E CB -0.088 29.647 29.700 0.058 0.000 0.859 562 E HN 0.973 nan 8.360 nan 0.000 0.498 563 Q N 1.010 120.874 119.800 0.107 0.000 2.407 563 Q HA 0.211 4.554 4.340 0.005 0.000 0.214 563 Q C 0.365 176.406 176.000 0.068 0.000 1.043 563 Q CA -0.415 55.446 55.803 0.096 0.000 0.983 563 Q CB 0.969 29.779 28.738 0.120 0.000 1.211 563 Q HN -0.231 nan 8.270 nan 0.000 0.564 564 K N 0.794 121.229 120.400 0.058 0.000 2.414 564 K HA 0.030 4.353 4.320 0.005 0.000 0.272 564 K C -0.678 175.934 176.600 0.019 0.000 0.993 564 K CA -0.037 56.281 56.287 0.051 0.000 0.964 564 K CB 0.449 32.979 32.500 0.050 0.000 0.925 564 K HN 0.583 nan 8.250 nan 0.000 0.487 565 N N 1.953 120.651 118.700 -0.003 0.000 2.402 565 N HA 0.447 5.190 4.740 0.005 0.000 0.294 565 N C -0.578 174.802 175.510 -0.218 0.000 1.203 565 N CA -0.559 52.395 53.050 -0.159 0.000 0.838 565 N CB 1.159 39.460 38.487 -0.310 0.000 1.306 565 N HN 0.479 nan 8.380 nan 0.000 0.510 566 I N -2.273 118.045 120.570 -0.419 0.000 3.002 566 I HA 0.550 4.724 4.170 0.005 0.000 0.310 566 I C -1.383 174.297 176.117 -0.729 0.000 1.087 566 I CA -0.884 60.154 61.300 -0.436 0.000 1.017 566 I CB 1.084 38.853 38.000 -0.386 0.000 1.226 566 I HN 0.302 nan 8.210 nan 0.000 0.443 567 Y N 1.470 121.664 120.300 -0.177 0.000 2.338 567 Y HA 0.601 5.154 4.550 0.005 0.000 0.328 567 Y C -0.234 175.574 175.900 -0.152 0.000 0.965 567 Y CA -0.409 57.611 58.100 -0.135 0.000 1.208 567 Y CB 1.619 39.931 38.460 -0.247 0.000 1.132 567 Y HN 0.603 nan 8.280 nan 0.000 0.469 568 Q N 3.249 123.053 119.800 0.008 0.000 2.322 568 Q HA 0.240 4.583 4.340 0.005 0.000 0.265 568 Q C -0.529 175.497 176.000 0.043 0.000 0.985 568 Q CA -0.990 54.789 55.803 -0.040 0.000 0.849 568 Q CB 1.494 30.195 28.738 -0.062 0.000 1.274 568 Q HN 0.746 nan 8.270 nan 0.000 0.449 569 Q N 3.270 123.054 119.800 -0.026 0.000 2.549 569 Q HA -0.112 4.231 4.340 0.005 0.000 0.347 569 Q C -0.757 175.332 176.000 0.149 0.000 1.081 569 Q CA -0.017 55.814 55.803 0.047 0.000 1.093 569 Q CB 0.404 29.117 28.738 -0.042 0.000 1.067 569 Q HN 0.596 nan 8.270 nan 0.000 0.398 570 L N 6.664 127.986 121.223 0.165 0.000 2.499 570 L HA 0.075 4.418 4.340 0.005 0.000 0.273 570 L C -1.124 175.923 176.870 0.295 0.000 1.195 570 L CA 1.050 55.986 54.840 0.159 0.000 0.882 570 L CB 0.330 42.432 42.059 0.073 0.000 1.133 570 L HN 0.737 nan 8.230 nan 0.000 0.483 571 W N 7.089 128.437 121.300 0.080 0.000 2.288 571 W HA 0.213 4.877 4.660 0.006 0.000 0.287 571 W C -1.412 175.218 176.519 0.185 0.000 1.046 571 W CA -1.047 56.373 57.345 0.125 0.000 1.074 571 W CB 0.939 30.491 29.460 0.154 0.000 0.955 571 W HN 0.451 nan 8.180 nan 0.000 0.277 572 C N 4.263 123.660 119.300 0.163 0.000 2.644 572 C HA 0.289 4.752 4.460 0.005 0.000 0.417 572 C C 1.447 176.557 174.990 0.199 0.000 1.304 572 C CA -0.118 58.979 59.018 0.132 0.000 2.035 572 C CB -0.164 27.584 27.740 0.013 0.000 2.673 572 C HN 0.417 nan 8.230 nan 0.000 0.602 573 L N 5.681 127.050 121.223 0.243 0.000 2.529 573 L HA 0.148 4.491 4.340 0.005 0.000 0.287 573 L C -1.508 175.538 176.870 0.294 0.000 1.241 573 L CA -0.611 54.404 54.840 0.292 0.000 0.857 573 L CB 0.133 42.361 42.059 0.283 0.000 1.113 573 L HN 0.497 nan 8.230 nan 0.000 0.504 574 P HA 0.143 nan 4.420 nan 0.000 0.281 574 P C -1.336 176.010 177.300 0.078 0.000 1.249 574 P CA -0.612 62.564 63.100 0.127 0.000 0.810 574 P CB 1.129 32.867 31.700 0.064 0.000 1.008 575 K N 1.691 122.060 120.400 -0.052 0.000 2.240 575 K HA 0.455 4.778 4.320 0.005 0.000 0.271 575 K C -1.376 175.141 176.600 -0.137 0.000 1.018 575 K CA -0.669 55.439 56.287 -0.299 0.000 0.874 575 K CB 0.666 32.879 32.500 -0.477 0.000 1.098 575 K HN 0.208 nan 8.250 nan 0.000 0.458 576 V N 4.288 124.145 119.914 -0.094 0.000 2.569 576 V HA 0.140 4.263 4.120 0.005 0.000 0.301 576 V C -0.890 175.278 176.094 0.122 0.000 1.044 576 V CA -0.811 61.514 62.300 0.042 0.000 0.874 576 V CB 1.588 33.477 31.823 0.111 0.000 1.002 576 V HN 0.963 nan 8.190 nan 0.000 0.424 577 D N 4.259 124.700 120.400 0.070 0.000 2.697 577 D HA -0.163 4.480 4.640 0.005 0.000 0.238 577 D C 1.318 177.587 176.300 -0.053 0.000 1.152 577 D CA 2.025 56.036 54.000 0.018 0.000 0.666 577 D CB -1.050 39.772 40.800 0.037 0.000 1.037 577 D HN 1.489 nan 8.370 nan 0.000 0.423 578 G N -0.845 107.907 108.800 -0.080 0.000 2.184 578 G HA2 -0.368 3.595 3.960 0.005 0.000 0.264 578 G HA3 -0.368 3.595 3.960 0.005 0.000 0.264 578 G C 0.333 175.151 174.900 -0.136 0.000 0.975 578 G CA 0.881 45.916 45.100 -0.109 0.000 0.642 578 G HN 0.546 nan 8.290 nan 0.000 0.536 579 K N -0.843 119.478 120.400 -0.133 0.000 2.426 579 K HA 0.542 4.865 4.320 0.005 0.000 0.251 579 K C -1.063 175.413 176.600 -0.207 0.000 0.941 579 K CA -0.987 55.226 56.287 -0.123 0.000 0.808 579 K CB 1.678 34.178 32.500 -0.000 0.000 1.265 579 K HN 0.082 nan 8.250 nan 0.000 0.432 580 Y N 1.651 121.947 120.300 -0.006 0.000 2.359 580 Y HA 0.252 4.805 4.550 0.005 0.000 0.334 580 Y C 0.246 176.122 175.900 -0.040 0.000 1.058 580 Y CA -0.232 57.862 58.100 -0.010 0.000 1.244 580 Y CB 0.449 38.913 38.460 0.007 0.000 1.187 580 Y HN 0.259 nan 8.280 nan 0.000 0.510 581 I N 3.719 124.317 120.570 0.046 0.000 2.406 581 I HA 0.266 4.439 4.170 0.005 0.000 0.290 581 I C -0.514 175.606 176.117 0.004 0.000 0.999 581 I CA -0.596 60.663 61.300 -0.068 0.000 1.124 581 I CB 1.688 39.502 38.000 -0.310 0.000 1.289 581 I HN 0.535 nan 8.210 nan 0.000 0.441 582 Q N 5.491 125.298 119.800 0.012 0.000 2.309 582 Q HA 0.637 4.980 4.340 0.005 0.000 0.264 582 Q C -1.698 174.304 176.000 0.004 0.000 1.008 582 Q CA -0.731 55.108 55.803 0.060 0.000 0.853 582 Q CB 2.336 31.147 28.738 0.122 0.000 1.314 582 Q HN 0.483 nan 8.270 nan 0.000 0.448 583 V N 3.092 123.018 119.914 0.019 0.000 2.472 583 V HA 0.450 4.573 4.120 0.005 0.000 0.290 583 V C -0.502 175.625 176.094 0.054 0.000 1.037 583 V CA -0.554 61.741 62.300 -0.008 0.000 0.908 583 V CB 1.404 33.192 31.823 -0.058 0.000 0.985 583 V HN 0.896 nan 8.190 nan 0.000 0.454 584 C N 3.347 122.628 119.300 -0.031 0.000 2.498 584 C HA 0.818 5.281 4.460 0.005 0.000 0.316 584 C C 0.359 175.233 174.990 -0.194 0.000 1.209 584 C CA -0.597 58.366 59.018 -0.092 0.000 1.518 584 C CB 1.691 29.279 27.740 -0.253 0.000 2.147 584 C HN 0.995 nan 8.230 nan 0.000 0.483 585 T N -0.245 114.228 114.554 -0.135 0.000 2.887 585 T HA 0.777 5.130 4.350 0.005 0.000 0.288 585 T C -0.875 173.631 174.700 -0.323 0.000 1.021 585 T CA -0.409 61.599 62.100 -0.154 0.000 1.000 585 T CB 1.010 69.963 68.868 0.142 0.000 1.034 585 T HN 0.308 nan 8.240 nan 0.000 0.467 586 F N 1.671 121.546 119.950 -0.126 0.000 2.399 586 F HA 0.594 5.123 4.527 0.005 0.000 0.334 586 F C 1.290 177.039 175.800 -0.085 0.000 1.097 586 F CA -0.591 57.342 58.000 -0.112 0.000 1.076 586 F CB 1.865 40.750 39.000 -0.191 0.000 1.162 586 F HN 0.850 nan 8.300 nan 0.000 0.495 587 T N -0.503 114.180 114.554 0.214 0.000 2.888 587 T HA 0.831 5.184 4.350 0.005 0.000 0.284 587 T C -1.030 173.744 174.700 0.124 0.000 1.017 587 T CA -0.796 61.373 62.100 0.114 0.000 1.022 587 T CB 1.612 70.543 68.868 0.105 0.000 1.013 587 T HN 0.369 nan 8.240 nan 0.000 0.465 588 V N 1.781 121.716 119.914 0.035 0.000 2.567 588 V HA 0.648 4.771 4.120 0.005 0.000 0.298 588 V C 1.033 177.109 176.094 -0.031 0.000 1.047 588 V CA -0.198 62.107 62.300 0.010 0.000 0.880 588 V CB 0.913 32.730 31.823 -0.009 0.000 1.009 588 V HN 1.485 nan 8.190 nan 0.000 0.429 589 G N 3.181 111.968 108.800 -0.022 0.000 2.168 589 G HA2 0.033 3.996 3.960 0.005 0.000 0.257 589 G HA3 0.033 3.996 3.960 0.005 0.000 0.257 589 G C 1.246 176.146 174.900 0.001 0.000 0.997 589 G CA 1.049 46.152 45.100 0.006 0.000 0.708 589 G HN 2.451 nan 8.290 nan 0.000 0.520 590 G N -1.778 106.957 108.800 -0.108 0.000 2.175 590 G HA2 -0.252 3.711 3.960 0.005 0.000 0.244 590 G HA3 -0.252 3.711 3.960 0.005 0.000 0.244 590 G C 0.056 174.765 174.900 -0.318 0.000 0.982 590 G CA 0.595 45.434 45.100 -0.436 0.000 0.641 590 G HN 1.153 nan 8.290 nan 0.000 0.527 591 N N -0.781 117.851 118.700 -0.113 0.000 2.381 591 N HA 0.440 5.183 4.740 0.005 0.000 0.294 591 N C -0.489 175.058 175.510 0.063 0.000 1.216 591 N CA -0.711 52.340 53.050 0.002 0.000 0.803 591 N CB 1.226 39.722 38.487 0.016 0.000 1.372 591 N HN 0.177 nan 8.380 nan 0.000 0.500 592 Y N 0.422 120.726 120.300 0.008 0.000 2.895 592 Y HA 0.094 4.647 4.550 0.005 0.000 0.334 592 Y C 1.240 177.178 175.900 0.063 0.000 1.261 592 Y CA 0.846 58.969 58.100 0.040 0.000 1.560 592 Y CB 0.261 38.739 38.460 0.030 0.000 1.253 592 Y HN 0.688 nan 8.280 nan 0.000 0.582 593 G N 2.785 111.307 108.800 -0.463 0.000 3.342 593 G HA2 0.493 4.456 3.960 0.005 0.000 0.252 593 G HA3 0.493 4.456 3.960 0.005 0.000 0.252 593 G C 0.073 174.719 174.900 -0.423 0.000 1.011 593 G CA 0.219 45.140 45.100 -0.298 0.000 0.869 593 G HN 1.278 nan 8.290 nan 0.000 0.514 594 G N -1.245 106.999 108.800 -0.928 0.000 2.336 594 G HA2 0.446 4.409 3.960 0.005 0.000 0.300 594 G HA3 0.446 4.409 3.960 0.005 0.000 0.300 594 G C -1.380 173.447 174.900 -0.121 0.000 1.375 594 G CA -0.251 44.631 45.100 -0.364 0.000 0.885 594 G HN 0.395 nan 8.290 nan 0.000 0.599 595 T N -0.652 113.994 114.554 0.153 0.000 2.906 595 T HA 0.780 5.133 4.350 0.005 0.000 0.295 595 T C -0.304 174.451 174.700 0.092 0.000 1.061 595 T CA 0.170 62.338 62.100 0.112 0.000 1.000 595 T CB 1.273 70.236 68.868 0.158 0.000 1.103 595 T HN 1.993 nan 8.240 nan 0.000 0.486 596 C N 1.408 120.700 119.300 -0.014 0.000 3.311 596 C HA 0.860 5.323 4.460 0.005 0.000 0.325 596 C C -1.735 173.220 174.990 -0.058 0.000 1.352 596 C CA -1.130 57.884 59.018 -0.006 0.000 1.308 596 C CB -0.146 27.625 27.740 0.052 0.000 1.619 596 C HN 0.902 nan 8.230 nan 0.000 0.469 597 L N 1.705 122.896 121.223 -0.054 0.000 2.333 597 L HA 0.791 5.134 4.340 0.005 0.000 0.269 597 L C -0.095 176.742 176.870 -0.055 0.000 1.010 597 L CA -0.654 54.141 54.840 -0.074 0.000 0.818 597 L CB 1.651 43.643 42.059 -0.112 0.000 1.306 597 L HN 0.704 nan 8.230 nan 0.000 0.430 598 R N 0.893 121.364 120.500 -0.049 0.000 2.686 598 R HA 0.727 5.070 4.340 0.005 0.000 0.283 598 R C -0.681 175.607 176.300 -0.020 0.000 0.978 598 R CA -0.785 55.304 56.100 -0.018 0.000 0.897 598 R CB 2.275 32.574 30.300 -0.001 0.000 1.192 598 R HN 0.823 nan 8.270 nan 0.000 0.457 599 G N 0.487 109.289 108.800 0.004 0.000 2.638 599 G HA2 0.503 4.466 3.960 0.005 0.000 0.302 599 G HA3 0.503 4.466 3.960 0.005 0.000 0.302 599 G C -1.619 173.313 174.900 0.053 0.000 1.365 599 G CA -0.248 44.862 45.100 0.017 0.000 0.987 599 G HN 0.456 nan 8.290 nan 0.000 0.495 600 D N -0.358 120.099 120.400 0.095 0.000 2.661 600 D HA 0.429 5.072 4.640 0.005 0.000 0.228 600 D C 0.697 177.105 176.300 0.181 0.000 1.183 600 D CA -0.513 53.552 54.000 0.108 0.000 0.844 600 D CB 2.126 42.976 40.800 0.084 0.000 1.555 600 D HN 0.208 nan 8.370 nan 0.000 0.453 601 E N -0.013 120.268 120.200 0.136 0.000 2.268 601 E HA 0.054 4.407 4.350 0.005 0.000 0.195 601 E C 0.551 177.318 176.600 0.278 0.000 0.995 601 E CA 0.524 57.019 56.400 0.159 0.000 0.836 601 E CB -0.090 29.662 29.700 0.087 0.000 0.763 601 E HN 0.337 nan 8.360 nan 0.000 0.491 602 S N -0.892 114.915 115.700 0.178 0.000 2.747 602 S HA 0.287 4.760 4.470 0.005 0.000 0.300 602 S C 0.702 175.151 174.600 -0.252 0.000 1.121 602 S CA -0.763 57.448 58.200 0.018 0.000 0.995 602 S CB 1.087 64.268 63.200 -0.032 0.000 1.113 602 S HN -0.060 nan 8.310 nan 0.000 0.547 603 L N 1.003 121.892 121.223 -0.556 0.000 2.362 603 L HA 0.199 4.542 4.340 0.005 0.000 0.219 603 L C 0.414 177.101 176.870 -0.304 0.000 1.134 603 L CA 0.883 55.326 54.840 -0.662 0.000 0.807 603 L CB -0.690 41.061 42.059 -0.512 0.000 0.927 603 L HN 0.569 nan 8.230 nan 0.000 0.447 604 V N 1.291 121.087 119.914 -0.196 0.000 2.347 604 V HA 0.258 4.381 4.120 0.005 0.000 0.280 604 V C 0.384 176.436 176.094 -0.070 0.000 1.021 604 V CA -0.907 61.312 62.300 -0.135 0.000 0.847 604 V CB 1.660 33.413 31.823 -0.116 0.000 0.990 604 V HN -0.091 nan 8.190 nan 0.000 0.444 605 I N 6.048 126.588 120.570 -0.051 0.000 2.588 605 I HA 0.347 4.520 4.170 0.005 0.000 0.283 605 I C 0.503 176.611 176.117 -0.015 0.000 1.119 605 I CA 0.238 61.532 61.300 -0.010 0.000 1.419 605 I CB 0.676 38.685 38.000 0.015 0.000 1.394 605 I HN 0.703 nan 8.210 nan 0.000 0.562 606 K N 4.327 124.727 120.400 -0.001 0.000 2.399 606 K HA 0.375 4.698 4.320 0.005 0.000 0.260 606 K C 0.379 176.985 176.600 0.010 0.000 1.049 606 K CA -0.972 55.316 56.287 0.002 0.000 0.890 606 K CB 1.356 33.858 32.500 0.004 0.000 1.430 606 K HN 0.165 nan 8.250 nan 0.000 0.459 607 K N 1.286 121.694 120.400 0.012 0.000 2.218 607 K HA -0.168 4.155 4.320 0.005 0.000 0.205 607 K C 1.144 177.755 176.600 0.017 0.000 1.046 607 K CA 2.006 58.300 56.287 0.012 0.000 0.933 607 K CB 0.134 32.639 32.500 0.008 0.000 0.728 607 K HN 0.595 nan 8.250 nan 0.000 0.454 608 E N 0.207 120.418 120.200 0.017 0.000 2.437 608 E HA 0.070 4.423 4.350 0.005 0.000 0.189 608 E C -0.378 176.238 176.600 0.027 0.000 1.054 608 E CA -0.090 56.322 56.400 0.021 0.000 0.874 608 E CB 0.255 29.964 29.700 0.015 0.000 1.011 608 E HN 0.036 nan 8.360 nan 0.000 0.474 609 S N 1.799 117.516 115.700 0.028 0.000 2.592 609 S HA 0.139 4.612 4.470 0.005 0.000 0.271 609 S C 0.114 174.737 174.600 0.038 0.000 1.326 609 S CA -0.476 57.743 58.200 0.032 0.000 1.024 609 S CB 0.809 64.026 63.200 0.030 0.000 0.921 609 S HN 0.165 nan 8.310 nan 0.000 0.527 610 D N 0.906 121.329 120.400 0.039 0.000 2.354 610 D HA 0.291 4.934 4.640 0.005 0.000 0.247 610 D C -0.017 176.302 176.300 0.032 0.000 1.138 610 D CA -0.246 53.780 54.000 0.042 0.000 0.958 610 D CB 0.507 41.331 40.800 0.040 0.000 1.144 610 D HN 0.179 nan 8.370 nan 0.000 0.458 611 I N 1.373 121.961 120.570 0.030 0.000 2.396 611 I HA 0.101 4.274 4.170 0.005 0.000 0.292 611 I C 0.388 176.485 176.117 -0.033 0.000 0.999 611 I CA -0.298 61.004 61.300 0.003 0.000 1.310 611 I CB 0.909 38.916 38.000 0.011 0.000 1.404 611 I HN 0.096 nan 8.210 nan 0.000 0.496 612 E N 7.276 127.453 120.200 -0.039 0.000 2.158 612 E HA 0.392 4.745 4.350 0.005 0.000 0.271 612 E C -2.390 174.135 176.600 -0.126 0.000 0.911 612 E CA -2.081 54.309 56.400 -0.018 0.000 0.767 612 E CB 1.465 31.250 29.700 0.141 0.000 1.120 612 E HN 0.219 nan 8.360 nan 0.000 0.405 613 P HA -0.030 nan 4.420 nan 0.000 0.262 613 P C -0.634 176.516 177.300 -0.251 0.000 1.182 613 P CA -0.056 62.640 63.100 -0.673 0.000 0.761 613 P CB 0.313 31.007 31.700 -1.677 0.000 0.795 614 L N 5.365 126.471 121.223 -0.195 0.000 2.385 614 L HA 0.566 4.909 4.340 0.005 0.000 0.273 614 L C -1.382 175.430 176.870 -0.096 0.000 0.990 614 L CA -0.394 54.413 54.840 -0.055 0.000 0.821 614 L CB 1.248 43.278 42.059 -0.049 0.000 1.279 614 L HN 0.163 nan 8.230 nan 0.000 0.412 615 I N 5.827 126.368 120.570 -0.048 0.000 2.466 615 I HA 0.385 4.558 4.170 0.005 0.000 0.289 615 I C -0.538 175.458 176.117 -0.203 0.000 1.026 615 I CA -0.644 60.556 61.300 -0.167 0.000 1.078 615 I CB 2.044 39.958 38.000 -0.143 0.000 1.249 615 I HN 0.252 nan 8.210 nan 0.000 0.429 616 V N 6.785 126.413 119.914 -0.478 0.000 2.432 616 V HA 0.417 4.541 4.120 0.005 0.000 0.275 616 V C 0.148 176.067 176.094 -0.293 0.000 1.043 616 V CA -0.608 61.389 62.300 -0.505 0.000 0.925 616 V CB 1.703 32.910 31.823 -1.025 0.000 0.985 616 V HN 0.531 nan 8.190 nan 0.000 0.466 617 V N 3.075 122.948 119.914 -0.068 0.000 2.628 617 V HA 0.757 4.880 4.120 0.005 0.000 0.306 617 V C -0.299 175.847 176.094 0.086 0.000 1.045 617 V CA -1.041 61.294 62.300 0.059 0.000 0.905 617 V CB 1.527 33.404 31.823 0.091 0.000 0.997 617 V HN 0.912 nan 8.190 nan 0.000 0.436 618 K N 0.000 120.477 120.400 0.129 0.000 2.780 618 K HA 0.000 4.323 4.320 0.005 0.000 0.191 618 K CA 0.000 56.357 56.287 0.116 0.000 0.838 618 K CB 0.000 32.584 32.500 0.140 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543