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 2io7_1_A DATA FIRST_RESID 10 DATA SEQUENCE APFGTLLGYA PGGVAIYSSD YXXXXXXXXX XXXXXRSYID 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 QIREXXXXXF DATA SEQUENCE AAVPIRTGHP QNEVRLIDVL LRPEVLVFEP LWTVIPGNKA ILPILWSLFP DATA SEQUENCE HHRYLLDTDF TVNDELVKTG YAVKPIAGRC GSNIDLVSHH EEVLDKTSGK DATA SEQUENCE FAEQKNIYQQ LWCLPKVDGK YIQVCTFTVG GNYGGTCLRG DESLVIKKES DATA SEQUENCE DIEPLI 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 0.000 177.627 177.584 0.072 0.000 1.274 10 A CA 0.000 52.059 52.037 0.037 0.000 0.836 10 A CB 0.000 19.002 19.000 0.003 0.000 0.831 11 P HA 0.275 nan 4.420 nan 0.000 0.282 11 P C -0.152 177.249 177.300 0.168 0.000 1.273 11 P CA -0.113 63.061 63.100 0.123 0.000 0.809 11 P CB 0.221 31.985 31.700 0.108 0.000 1.246 12 F N -0.612 119.384 119.950 0.077 0.000 2.410 12 F HA 0.460 5.005 4.527 0.030 0.000 0.348 12 F C 1.301 177.169 175.800 0.114 0.000 1.106 12 F CA 1.063 59.121 58.000 0.098 0.000 1.163 12 F CB 0.246 39.297 39.000 0.086 0.000 1.129 12 F HN 0.580 nan 8.300 nan 0.000 0.516 13 G N 2.908 111.285 108.800 -0.706 0.000 2.195 13 G HA2 -0.271 3.708 3.960 0.032 0.000 0.246 13 G HA3 -0.271 3.708 3.960 0.032 0.000 0.246 13 G C 0.448 175.231 174.900 -0.195 0.000 0.984 13 G CA 0.187 45.017 45.100 -0.449 0.000 0.633 13 G HN 0.974 nan 8.290 nan 0.000 0.525 14 T N 1.519 115.992 114.554 -0.135 0.000 2.901 14 T HA 0.471 4.840 4.350 0.032 0.000 0.301 14 T C 0.601 175.218 174.700 -0.139 0.000 1.012 14 T CA -0.396 61.659 62.100 -0.076 0.000 1.135 14 T CB 0.565 69.400 68.868 -0.054 0.000 0.936 14 T HN 0.674 nan 8.240 nan 0.000 0.539 15 L N 7.243 128.372 121.223 -0.156 0.000 2.313 15 L HA 0.286 4.646 4.340 0.032 0.000 0.282 15 L C 0.527 177.174 176.870 -0.373 0.000 1.092 15 L CA 0.109 54.688 54.840 -0.433 0.000 0.831 15 L CB 0.295 42.106 42.059 -0.413 0.000 1.159 15 L HN 0.879 nan 8.230 nan 0.000 0.442 16 L N 5.252 126.201 121.223 -0.457 0.000 2.357 16 L HA 0.406 4.766 4.340 0.032 0.000 0.211 16 L C 1.038 177.706 176.870 -0.336 0.000 1.075 16 L CA 0.460 55.102 54.840 -0.331 0.000 0.830 16 L CB -0.124 41.750 42.059 -0.308 0.000 0.996 16 L HN 0.787 nan 8.230 nan 0.000 0.467 17 G N -1.543 106.959 108.800 -0.496 0.000 2.321 17 G HA2 0.370 4.349 3.960 0.032 0.000 0.296 17 G HA3 0.370 4.349 3.960 0.032 0.000 0.296 17 G C -2.246 172.291 174.900 -0.603 0.000 1.287 17 G CA -0.636 44.225 45.100 -0.399 0.000 0.846 17 G HN -0.180 nan 8.290 nan 0.000 0.508 18 Y N -0.055 120.172 120.300 -0.121 0.000 2.462 18 Y HA 0.757 5.327 4.550 0.032 0.000 0.346 18 Y C 0.804 176.738 175.900 0.057 0.000 0.976 18 Y CA -0.100 57.980 58.100 -0.033 0.000 1.044 18 Y CB 2.068 40.521 38.460 -0.012 0.000 1.230 18 Y HN 0.881 nan 8.280 nan 0.000 0.455 19 A N 2.975 125.995 122.820 0.334 0.000 2.240 19 A HA 0.681 5.021 4.320 0.032 0.000 0.292 19 A C -2.636 175.184 177.584 0.393 0.000 1.121 19 A CA -1.926 50.333 52.037 0.369 0.000 0.851 19 A CB -0.255 19.097 19.000 0.587 0.000 1.167 19 A HN 0.527 nan 8.150 nan 0.000 0.503 20 P HA 0.221 nan 4.420 nan 0.000 0.265 20 P C 0.857 178.329 177.300 0.287 0.000 1.187 20 P CA 2.130 65.438 63.100 0.347 0.000 0.766 20 P CB 0.413 32.344 31.700 0.385 0.000 0.820 21 G N 2.087 110.973 108.800 0.144 0.000 2.184 21 G HA2 -0.135 3.844 3.960 0.032 0.000 0.264 21 G HA3 -0.135 3.844 3.960 0.032 0.000 0.264 21 G C 0.795 175.715 174.900 0.033 0.000 0.975 21 G CA 0.380 45.505 45.100 0.043 0.000 0.642 21 G HN 1.109 nan 8.290 nan 0.000 0.536 22 G N -2.256 106.605 108.800 0.101 0.000 2.130 22 G HA2 0.053 4.032 3.960 0.032 0.000 0.216 22 G HA3 0.053 4.032 3.960 0.032 0.000 0.216 22 G C 0.241 175.317 174.900 0.294 0.000 0.999 22 G CA 0.372 45.529 45.100 0.095 0.000 0.686 22 G HN 1.659 nan 8.290 nan 0.000 0.515 23 V N 1.371 121.471 119.914 0.310 0.000 2.387 23 V HA 0.611 4.750 4.120 0.032 0.000 0.260 23 V C 1.236 177.527 176.094 0.328 0.000 1.054 23 V CA -0.217 62.265 62.300 0.303 0.000 0.967 23 V CB 0.390 32.406 31.823 0.320 0.000 1.036 23 V HN 1.124 nan 8.190 nan 0.000 0.481 24 A N 6.512 129.411 122.820 0.131 0.000 2.466 24 A HA 0.568 4.908 4.320 0.032 0.000 0.238 24 A C -0.121 177.213 177.584 -0.416 0.000 1.074 24 A CA 0.054 51.797 52.037 -0.491 0.000 0.774 24 A CB 0.054 18.569 19.000 -0.809 0.000 1.015 24 A HN 0.794 nan 8.150 nan 0.000 0.498 25 I N 1.583 121.688 120.570 -0.776 0.000 2.439 25 I HA 0.300 4.490 4.170 0.032 0.000 0.283 25 I C -1.122 174.459 176.117 -0.893 0.000 1.023 25 I CA -0.198 60.725 61.300 -0.629 0.000 1.100 25 I CB 0.976 38.658 38.000 -0.530 0.000 1.238 25 I HN 0.641 nan 8.210 nan 0.000 0.445 26 Y N 2.950 122.840 120.300 -0.682 0.000 2.458 26 Y HA 0.403 4.972 4.550 0.032 0.000 0.322 26 Y C 0.929 176.444 175.900 -0.642 0.000 1.259 26 Y CA -0.568 57.013 58.100 -0.865 0.000 1.302 26 Y CB 1.216 38.630 38.460 -1.744 0.000 1.314 26 Y HN 0.410 nan 8.280 nan 0.000 0.509 27 S N 0.333 115.802 115.700 -0.385 0.000 2.475 27 S HA 0.200 4.689 4.470 0.032 0.000 0.281 27 S C 0.074 174.575 174.600 -0.165 0.000 1.198 27 S CA -0.550 57.478 58.200 -0.286 0.000 1.063 27 S CB 0.419 63.565 63.200 -0.090 0.000 0.972 27 S HN 0.604 nan 8.310 nan 0.000 0.486 28 S N 3.782 119.435 115.700 -0.079 0.000 2.738 28 S HA 0.186 4.675 4.470 0.032 0.000 0.227 28 S C -0.203 174.677 174.600 0.467 0.000 1.311 28 S CA -0.610 57.699 58.200 0.181 0.000 1.249 28 S CB -0.496 62.805 63.200 0.169 0.000 1.030 28 S HN 0.774 nan 8.310 nan 0.000 0.512 29 D N 1.928 122.658 120.400 0.551 0.000 2.845 29 D HA 0.166 4.825 4.640 0.032 0.000 0.235 29 D C 0.161 176.690 176.300 0.381 0.000 1.158 29 D CA -0.377 53.855 54.000 0.385 0.000 0.990 29 D CB -0.550 40.411 40.800 0.269 0.000 1.094 29 D HN 0.396 nan 8.370 nan 0.000 0.486 46 S N 3.025 118.475 115.700 -0.416 0.000 2.531 46 S HA 0.368 4.858 4.470 0.032 0.000 0.279 46 S C -0.914 173.466 174.600 -0.367 0.000 1.305 46 S CA 0.062 58.050 58.200 -0.353 0.000 1.058 46 S CB 0.111 63.017 63.200 -0.490 0.000 0.899 46 S HN 0.426 nan 8.310 nan 0.000 0.493 47 Y N 2.798 122.989 120.300 -0.181 0.000 2.602 47 Y HA 0.634 5.201 4.550 0.028 0.000 0.342 47 Y C 0.132 175.963 175.900 -0.115 0.000 1.029 47 Y CA -0.973 57.031 58.100 -0.160 0.000 1.080 47 Y CB 1.775 40.191 38.460 -0.073 0.000 1.284 47 Y HN 0.506 nan 8.280 nan 0.000 0.485 48 I N 2.647 123.237 120.570 0.034 0.000 2.542 48 I HA 0.164 4.354 4.170 0.032 0.000 0.278 48 I C -0.953 175.183 176.117 0.032 0.000 1.069 48 I CA -0.084 61.237 61.300 0.036 0.000 1.100 48 I CB 0.836 38.852 38.000 0.027 0.000 1.204 48 I HN 0.790 nan 8.210 nan 0.000 0.470 49 D N 3.056 123.495 120.400 0.065 0.000 4.510 49 D HA -0.227 4.432 4.640 0.032 0.000 0.134 49 D C 0.379 176.681 176.300 0.003 0.000 0.756 49 D CA 1.380 55.410 54.000 0.051 0.000 1.077 49 D CB -0.311 40.540 40.800 0.086 0.000 0.597 49 D HN 0.498 nan 8.370 nan 0.000 0.579 50 D N 1.032 121.408 120.400 -0.041 0.000 2.398 50 D HA 0.102 4.761 4.640 0.032 0.000 0.210 50 D C -0.087 176.047 176.300 -0.277 0.000 1.094 50 D CA 0.313 54.206 54.000 -0.179 0.000 0.839 50 D CB 0.276 40.959 40.800 -0.196 0.000 0.963 50 D HN 0.126 nan 8.370 nan 0.000 0.506 51 E N 0.740 120.831 120.200 -0.181 0.000 2.167 51 E HA 0.060 4.429 4.350 0.032 0.000 0.284 51 E C -0.579 175.907 176.600 -0.189 0.000 1.016 51 E CA -0.633 55.604 56.400 -0.272 0.000 0.817 51 E CB 1.111 30.419 29.700 -0.653 0.000 1.080 51 E HN 0.151 nan 8.360 nan 0.000 0.397 52 Y N 4.044 124.123 120.300 -0.368 0.000 2.465 52 Y HA -0.047 4.532 4.550 0.048 0.000 0.331 52 Y C 0.993 176.588 175.900 -0.508 0.000 1.102 52 Y CA 0.312 57.969 58.100 -0.739 0.000 1.358 52 Y CB 0.475 38.542 38.460 -0.655 0.000 1.213 52 Y HN 0.476 nan 8.280 nan 0.000 0.525 53 M N 4.003 122.942 119.600 -1.103 0.000 2.556 53 M HA 0.296 4.796 4.480 0.032 0.000 0.264 53 M C 1.002 176.783 176.300 -0.865 0.000 1.163 53 M CA 1.221 56.054 55.300 -0.778 0.000 1.186 53 M CB -0.394 31.922 32.600 -0.472 0.000 1.321 53 M HN 0.867 nan 8.290 nan 0.000 0.485 54 G N -1.552 106.483 108.800 -1.275 0.000 2.512 54 G HA2 0.127 4.106 3.960 0.032 0.000 0.181 54 G HA3 0.127 4.106 3.960 0.032 0.000 0.181 54 G C -1.527 173.150 174.900 -0.372 0.000 1.173 54 G CA -0.631 44.059 45.100 -0.683 0.000 0.988 54 G HN 0.341 nan 8.290 nan 0.000 0.485 55 H N 1.397 120.378 119.070 -0.148 0.000 2.609 55 H HA 0.389 4.963 4.556 0.030 0.000 0.344 55 H C -0.371 174.872 175.328 -0.140 0.000 1.040 55 H CA -0.460 55.553 56.048 -0.059 0.000 1.216 55 H CB 1.506 31.335 29.762 0.112 0.000 1.529 55 H HN 0.365 nan 8.280 nan 0.000 0.519 56 K N 4.355 124.423 120.400 -0.553 0.000 2.436 56 K HA -0.058 4.281 4.320 0.032 0.000 0.282 56 K C -0.695 175.804 176.600 -0.169 0.000 1.044 56 K CA 0.544 56.230 56.287 -1.001 0.000 1.028 56 K CB 0.553 32.017 32.500 -1.727 0.000 0.919 56 K HN 0.425 nan 8.250 nan 0.000 0.474 57 W N 2.853 124.189 121.300 0.059 0.000 1.809 57 W HA 0.171 4.853 4.660 0.037 0.000 0.298 57 W C -0.053 176.551 176.519 0.142 0.000 0.905 57 W CA -0.722 56.650 57.345 0.045 0.000 1.872 57 W CB 0.800 30.204 29.460 -0.094 0.000 2.092 57 W HN 0.475 nan 8.180 nan 0.000 0.403 58 Q N -0.059 119.976 119.800 0.392 0.000 2.584 58 Q HA 0.001 4.360 4.340 0.032 0.000 0.235 58 Q C 1.682 177.872 176.000 0.317 0.000 1.079 58 Q CA 0.505 56.524 55.803 0.360 0.000 0.977 58 Q CB 0.629 29.556 28.738 0.314 0.000 1.293 58 Q HN 0.585 nan 8.270 nan 0.000 0.553 59 C N -1.825 117.641 119.300 0.276 0.000 2.432 59 C HA 0.013 4.492 4.460 0.032 0.000 0.280 59 C C 1.966 177.088 174.990 0.221 0.000 1.353 59 C CA 0.051 59.204 59.018 0.225 0.000 1.766 59 C CB -0.969 26.848 27.740 0.128 0.000 1.924 59 C HN 0.607 nan 8.230 nan 0.000 0.509 60 V N 1.142 121.187 119.914 0.219 0.000 2.535 60 V HA -0.099 4.041 4.120 0.032 0.000 0.246 60 V C 3.034 179.267 176.094 0.231 0.000 1.045 60 V CA 1.926 64.382 62.300 0.259 0.000 1.058 60 V CB -0.717 31.254 31.823 0.246 0.000 0.689 60 V HN 0.540 nan 8.190 nan 0.000 0.461 61 E N 0.320 120.639 120.200 0.197 0.000 2.118 61 E HA -0.258 4.111 4.350 0.032 0.000 0.195 61 E C 2.090 178.809 176.600 0.198 0.000 0.992 61 E CA 1.729 58.200 56.400 0.118 0.000 0.804 61 E CB -0.168 29.616 29.700 0.141 0.000 0.741 61 E HN 0.587 nan 8.360 nan 0.000 0.458 62 F N 0.914 120.976 119.950 0.188 0.000 2.149 62 F HA 0.041 4.588 4.527 0.033 0.000 0.294 62 F C 2.243 178.154 175.800 0.185 0.000 1.095 62 F CA 1.544 59.656 58.000 0.187 0.000 1.276 62 F CB -0.546 38.543 39.000 0.148 0.000 1.023 62 F HN 0.047 nan 8.300 nan 0.000 0.480 63 A N 1.148 124.103 122.820 0.225 0.000 1.892 63 A HA -0.291 4.049 4.320 0.032 0.000 0.218 63 A C 2.420 180.091 177.584 0.144 0.000 1.188 63 A CA 2.174 54.327 52.037 0.193 0.000 0.631 63 A CB -1.026 18.176 19.000 0.336 0.000 0.822 63 A HN 0.533 nan 8.150 nan 0.000 0.447 64 R N -0.740 119.805 120.500 0.074 0.000 2.115 64 R HA -0.076 4.283 4.340 0.032 0.000 0.226 64 R C 2.386 178.597 176.300 -0.148 0.000 1.100 64 R CA 1.418 57.395 56.100 -0.205 0.000 0.980 64 R CB -0.238 29.732 30.300 -0.551 0.000 0.875 64 R HN 0.541 nan 8.270 nan 0.000 0.445 65 R N -0.468 119.950 120.500 -0.136 0.000 2.090 65 R HA -0.133 4.226 4.340 0.032 0.000 0.228 65 R C 1.976 178.197 176.300 -0.131 0.000 1.110 65 R CA 1.391 57.434 56.100 -0.095 0.000 0.973 65 R CB -0.434 29.840 30.300 -0.042 0.000 0.869 65 R HN 0.226 nan 8.270 nan 0.000 0.440 66 F N 1.421 121.097 119.950 -0.457 0.000 2.025 66 F HA -0.241 4.304 4.527 0.030 0.000 0.297 66 F C 1.744 177.317 175.800 -0.378 0.000 1.132 66 F CA 1.864 59.578 58.000 -0.476 0.000 1.191 66 F CB -0.454 38.188 39.000 -0.596 0.000 0.963 66 F HN -0.030 nan 8.300 nan 0.000 0.481 67 L N -1.029 120.102 121.223 -0.153 0.000 2.043 67 L HA -0.264 4.096 4.340 0.032 0.000 0.212 67 L C 2.495 179.244 176.870 -0.202 0.000 1.075 67 L CA 1.867 56.568 54.840 -0.230 0.000 0.752 67 L CB -1.200 40.934 42.059 0.124 0.000 0.891 67 L HN 0.261 nan 8.230 nan 0.000 0.432 68 F N 0.942 120.761 119.950 -0.218 0.000 2.113 68 F HA -0.159 4.390 4.527 0.037 0.000 0.297 68 F C 2.263 177.955 175.800 -0.179 0.000 1.103 68 F CA 1.435 59.341 58.000 -0.155 0.000 1.248 68 F CB -0.181 38.739 39.000 -0.133 0.000 0.999 68 F HN -0.154 nan 8.300 nan 0.000 0.475 69 L N -0.045 121.072 121.223 -0.176 0.000 2.093 69 L HA -0.208 4.152 4.340 0.032 0.000 0.208 69 L C 1.931 178.573 176.870 -0.380 0.000 1.085 69 L CA 1.893 56.575 54.840 -0.263 0.000 0.755 69 L CB -0.875 41.100 42.059 -0.140 0.000 0.904 69 L HN 0.207 nan 8.230 nan 0.000 0.435 70 N N -1.504 116.852 118.700 -0.573 0.000 2.336 70 N HA -0.050 4.710 4.740 0.032 0.000 0.177 70 N C 0.937 176.317 175.510 -0.217 0.000 1.018 70 N CA 0.716 53.408 53.050 -0.596 0.000 0.878 70 N CB 0.213 37.965 38.487 -1.225 0.000 0.997 70 N HN 0.356 nan 8.380 nan 0.000 0.433 71 Y N -1.392 118.772 120.300 -0.226 0.000 2.588 71 Y HA 0.346 4.914 4.550 0.031 0.000 0.247 71 Y C 1.344 177.158 175.900 -0.144 0.000 1.157 71 Y CA -0.511 57.507 58.100 -0.138 0.000 1.215 71 Y CB 1.136 39.563 38.460 -0.055 0.000 1.245 71 Y HN -0.047 nan 8.280 nan 0.000 0.534 72 G N 1.809 110.511 108.800 -0.164 0.000 2.180 72 G HA2 -0.311 3.668 3.960 0.032 0.000 0.263 72 G HA3 -0.311 3.668 3.960 0.032 0.000 0.263 72 G C 0.077 174.990 174.900 0.021 0.000 0.989 72 G CA 0.686 45.642 45.100 -0.239 0.000 0.692 72 G HN 0.355 nan 8.290 nan 0.000 0.526 73 V N -3.694 116.294 119.914 0.125 0.000 3.166 73 V HA 0.971 5.110 4.120 0.032 0.000 0.317 73 V C 0.211 176.420 176.094 0.192 0.000 1.136 73 V CA -0.715 61.694 62.300 0.181 0.000 1.035 73 V CB 2.062 33.993 31.823 0.179 0.000 1.110 73 V HN 1.197 nan 8.190 nan 0.000 0.450 74 V N 1.272 121.260 119.914 0.123 0.000 3.167 74 V HA 0.705 4.844 4.120 0.032 0.000 0.293 74 V C -1.717 174.337 176.094 -0.067 0.000 1.379 74 V CA -0.640 61.634 62.300 -0.044 0.000 1.019 74 V CB 2.262 34.044 31.823 -0.067 0.000 1.115 74 V HN 1.262 nan 8.190 nan 0.000 0.442 75 F N 1.940 121.888 119.950 -0.003 0.000 2.492 75 F HA 0.844 5.386 4.527 0.026 0.000 0.327 75 F C 0.548 176.316 175.800 -0.054 0.000 1.079 75 F CA -0.314 57.632 58.000 -0.089 0.000 0.967 75 F CB 0.698 39.630 39.000 -0.114 0.000 1.169 75 F HN 0.738 nan 8.300 nan 0.000 0.472 76 T N -1.116 113.506 114.554 0.112 0.000 2.709 76 T HA -0.025 4.344 4.350 0.032 0.000 0.345 76 T C -0.198 174.609 174.700 0.179 0.000 1.086 76 T CA -0.131 62.044 62.100 0.126 0.000 1.084 76 T CB 0.129 69.076 68.868 0.132 0.000 1.000 76 T HN 0.869 nan 8.240 nan 0.000 0.549 77 D N 0.418 120.896 120.400 0.131 0.000 2.371 77 D HA 0.359 5.019 4.640 0.032 0.000 0.256 77 D C 0.063 176.427 176.300 0.107 0.000 1.193 77 D CA -0.290 53.787 54.000 0.128 0.000 0.881 77 D CB 0.303 41.148 40.800 0.076 0.000 1.143 77 D HN 0.718 nan 8.370 nan 0.000 0.473 78 V N 1.732 121.712 119.914 0.111 0.000 2.715 78 V HA 0.754 4.893 4.120 0.032 0.000 0.310 78 V C 1.265 177.352 176.094 -0.012 0.000 1.054 78 V CA -0.261 62.044 62.300 0.008 0.000 0.928 78 V CB 1.444 33.242 31.823 -0.041 0.000 1.007 78 V HN 0.553 nan 8.190 nan 0.000 0.437 79 G N 2.879 111.631 108.800 -0.080 0.000 2.404 79 G HA2 0.118 4.097 3.960 0.032 0.000 0.214 79 G HA3 0.118 4.097 3.960 0.032 0.000 0.214 79 G C 0.603 175.468 174.900 -0.060 0.000 1.189 79 G CA 0.527 45.596 45.100 -0.052 0.000 0.789 79 G HN 0.532 nan 8.290 nan 0.000 0.533 80 M N -0.399 119.091 119.600 -0.183 0.000 2.535 80 M HA 0.559 5.058 4.480 0.032 0.000 0.314 80 M C 1.342 177.515 176.300 -0.213 0.000 1.153 80 M CA -1.126 54.088 55.300 -0.143 0.000 0.924 80 M CB 1.629 34.158 32.600 -0.117 0.000 1.710 80 M HN 0.109 nan 8.290 nan 0.000 0.451 81 A N 3.200 126.007 122.820 -0.022 0.000 1.948 81 A HA -0.136 4.204 4.320 0.032 0.000 0.220 81 A C 1.730 179.297 177.584 -0.029 0.000 1.177 81 A CA 1.906 53.935 52.037 -0.014 0.000 0.636 81 A CB -0.833 18.194 19.000 0.045 0.000 0.815 81 A HN 0.967 nan 8.150 nan 0.000 0.449 82 W N 0.528 121.855 121.300 0.045 0.000 2.421 82 W HA -0.123 4.564 4.660 0.044 0.000 0.270 82 W C 0.990 177.545 176.519 0.060 0.000 1.233 82 W CA 1.073 58.451 57.345 0.056 0.000 1.226 82 W CB -0.761 28.741 29.460 0.071 0.000 1.121 82 W HN 0.512 nan 8.180 nan 0.000 0.579 83 E N 1.215 120.913 120.200 -0.837 0.000 2.204 83 E HA -0.147 4.223 4.350 0.032 0.000 0.194 83 E C 2.195 178.614 176.600 -0.300 0.000 0.989 83 E CA 1.297 57.219 56.400 -0.796 0.000 0.824 83 E CB -0.340 28.852 29.700 -0.846 0.000 0.756 83 E HN 0.307 nan 8.360 nan 0.000 0.477 84 I N 0.672 121.092 120.570 -0.250 0.000 2.248 84 I HA -0.291 3.898 4.170 0.032 0.000 0.248 84 I C 2.134 178.175 176.117 -0.127 0.000 1.107 84 I CA 1.015 62.143 61.300 -0.287 0.000 1.373 84 I CB -0.248 37.487 38.000 -0.441 0.000 1.055 84 I HN 0.111 nan 8.210 nan 0.000 0.418 85 F N 1.237 121.097 119.950 -0.150 0.000 2.408 85 F HA -0.175 4.371 4.527 0.031 0.000 0.300 85 F C 2.343 178.095 175.800 -0.080 0.000 1.090 85 F CA 1.185 59.130 58.000 -0.090 0.000 1.427 85 F CB -0.191 38.805 39.000 -0.006 0.000 1.070 85 F HN -0.066 nan 8.300 nan 0.000 0.549 86 S N -0.024 115.640 115.700 -0.061 0.000 2.575 86 S HA 0.221 4.711 4.470 0.032 0.000 0.215 86 S C 0.631 175.160 174.600 -0.118 0.000 0.966 86 S CA -0.226 57.915 58.200 -0.098 0.000 0.911 86 S CB -0.140 63.053 63.200 -0.011 0.000 0.780 86 S HN 0.050 nan 8.310 nan 0.000 0.514 87 L N 2.217 123.348 121.223 -0.154 0.000 2.349 87 L HA 0.365 4.724 4.340 0.032 0.000 0.275 87 L C 0.967 177.761 176.870 -0.127 0.000 1.115 87 L CA -0.316 54.440 54.840 -0.140 0.000 0.820 87 L CB 0.489 42.406 42.059 -0.237 0.000 1.135 87 L HN -0.044 nan 8.230 nan 0.000 0.445 88 R N 4.584 125.102 120.500 0.030 0.000 2.700 88 R HA 0.308 4.668 4.340 0.032 0.000 0.377 88 R C -1.207 175.274 176.300 0.300 0.000 1.130 88 R CA -0.158 55.998 56.100 0.094 0.000 1.055 88 R CB -0.035 30.312 30.300 0.079 0.000 1.387 88 R HN 0.596 nan 8.270 nan 0.000 0.580 89 F N -2.752 117.213 119.950 0.024 0.000 2.740 89 F HA 0.443 4.979 4.527 0.015 0.000 0.312 89 F C -1.771 174.089 175.800 0.100 0.000 1.121 89 F CA -1.272 56.764 58.000 0.059 0.000 0.977 89 F CB 0.826 39.870 39.000 0.074 0.000 1.265 89 F HN -0.259 nan 8.300 nan 0.000 0.443 90 L N 2.674 123.949 121.223 0.086 0.000 2.304 90 L HA 0.672 5.031 4.340 0.032 0.000 0.268 90 L C -0.437 176.545 176.870 0.187 0.000 1.010 90 L CA -1.203 53.678 54.840 0.067 0.000 0.813 90 L CB 2.151 44.284 42.059 0.124 0.000 1.315 90 L HN 0.846 nan 8.230 nan 0.000 0.445 91 R N 1.345 121.942 120.500 0.161 0.000 2.393 91 R HA 0.255 4.615 4.340 0.032 0.000 0.315 91 R C -0.810 175.585 176.300 0.158 0.000 0.952 91 R CA -0.539 55.672 56.100 0.186 0.000 0.842 91 R CB 1.383 31.806 30.300 0.204 0.000 1.163 91 R HN 0.596 nan 8.270 nan 0.000 0.450 92 E N 3.871 124.153 120.200 0.137 0.000 2.070 92 E HA 0.054 4.424 4.350 0.032 0.000 0.282 92 E C 0.746 177.428 176.600 0.136 0.000 1.104 92 E CA -0.343 56.129 56.400 0.121 0.000 0.876 92 E CB 1.127 30.880 29.700 0.089 0.000 1.055 92 E HN 0.551 nan 8.360 nan 0.000 0.401 93 V N 4.522 124.540 119.914 0.174 0.000 2.332 93 V HA -0.227 3.912 4.120 0.032 0.000 0.248 93 V C 1.940 178.117 176.094 0.139 0.000 1.055 93 V CA 1.305 63.730 62.300 0.208 0.000 1.038 93 V CB -0.204 31.870 31.823 0.420 0.000 0.651 93 V HN 0.594 nan 8.190 nan 0.000 0.450 94 V N 2.321 122.293 119.914 0.097 0.000 3.330 94 V HA -0.110 4.029 4.120 0.032 0.000 0.273 94 V C 1.194 177.317 176.094 0.049 0.000 1.179 94 V CA 2.007 64.340 62.300 0.055 0.000 1.174 94 V CB -1.237 30.598 31.823 0.020 0.000 0.794 94 V HN 0.990 nan 8.190 nan 0.000 0.527 95 N N -2.798 115.945 118.700 0.073 0.000 2.170 95 N HA -0.034 4.726 4.740 0.032 0.000 0.230 95 N C -0.502 175.094 175.510 0.144 0.000 1.402 95 N CA 0.051 53.153 53.050 0.087 0.000 0.830 95 N CB 0.045 38.577 38.487 0.075 0.000 1.259 95 N HN 0.155 nan 8.380 nan 0.000 0.532 96 D N 1.264 121.753 120.400 0.148 0.000 2.739 96 D HA -0.210 4.449 4.640 0.032 0.000 0.230 96 D C -0.218 176.233 176.300 0.252 0.000 1.167 96 D CA 1.251 55.377 54.000 0.209 0.000 0.640 96 D CB -1.041 39.922 40.800 0.272 0.000 1.045 96 D HN 0.651 nan 8.370 nan 0.000 0.421 97 N N 0.144 118.937 118.700 0.156 0.000 2.515 97 N HA 0.402 5.162 4.740 0.032 0.000 0.279 97 N C -0.498 174.979 175.510 -0.055 0.000 1.164 97 N CA -0.330 52.760 53.050 0.067 0.000 0.982 97 N CB 0.778 39.323 38.487 0.098 0.000 1.170 97 N HN 0.104 nan 8.380 nan 0.000 0.474 98 I N 2.630 123.064 120.570 -0.226 0.000 2.362 98 I HA 0.276 4.465 4.170 0.032 0.000 0.289 98 I C -0.553 175.598 176.117 0.057 0.000 0.994 98 I CA -0.707 60.568 61.300 -0.043 0.000 1.158 98 I CB 0.978 38.914 38.000 -0.108 0.000 1.315 98 I HN 0.364 nan 8.210 nan 0.000 0.451 99 L N 8.411 129.719 121.223 0.142 0.000 2.322 99 L HA 0.560 4.919 4.340 0.032 0.000 0.279 99 L C -2.275 174.694 176.870 0.165 0.000 1.036 99 L CA -1.910 53.003 54.840 0.122 0.000 0.807 99 L CB 1.410 43.529 42.059 0.100 0.000 1.226 99 L HN 0.324 nan 8.230 nan 0.000 0.433 100 P HA 0.184 nan 4.420 nan 0.000 0.279 100 P C -1.188 176.162 177.300 0.084 0.000 1.239 100 P CA -0.381 62.787 63.100 0.112 0.000 0.789 100 P CB 1.883 33.623 31.700 0.067 0.000 0.933 101 L N 3.510 124.770 121.223 0.062 0.000 2.446 101 L HA 0.334 4.693 4.340 0.032 0.000 0.268 101 L C -0.489 176.328 176.870 -0.088 0.000 0.975 101 L CA -0.378 54.469 54.840 0.012 0.000 0.848 101 L CB 1.532 43.597 42.059 0.010 0.000 1.225 101 L HN 0.203 nan 8.230 nan 0.000 0.410 102 Q N 3.260 122.976 119.800 -0.140 0.000 2.260 102 Q HA 0.727 5.086 4.340 0.032 0.000 0.242 102 Q C -0.465 175.132 176.000 -0.672 0.000 0.932 102 Q CA -0.289 55.279 55.803 -0.391 0.000 0.891 102 Q CB 1.774 30.265 28.738 -0.411 0.000 1.222 102 Q HN 0.771 nan 8.270 nan 0.000 0.453 103 A N 2.147 124.459 122.820 -0.847 0.000 2.303 103 A HA 0.729 5.068 4.320 0.032 0.000 0.320 103 A C -1.173 175.841 177.584 -0.951 0.000 1.192 103 A CA -0.570 50.936 52.037 -0.884 0.000 0.821 103 A CB 0.351 18.707 19.000 -1.073 0.000 1.188 103 A HN 0.529 nan 8.150 nan 0.000 0.492 104 F N 3.741 123.574 119.950 -0.194 0.000 2.482 104 F HA 0.508 5.056 4.527 0.035 0.000 0.331 104 F C -1.901 173.670 175.800 -0.381 0.000 1.115 104 F CA -2.414 55.426 58.000 -0.266 0.000 0.955 104 F CB 1.978 40.802 39.000 -0.295 0.000 1.136 104 F HN 0.381 nan 8.300 nan 0.000 0.452 105 P HA -0.049 nan 4.420 nan 0.000 0.270 105 P C -0.684 176.353 177.300 -0.439 0.000 1.223 105 P CA -0.308 62.708 63.100 -0.139 0.000 0.785 105 P CB 0.819 32.499 31.700 -0.034 0.000 0.923 106 N N 0.560 119.026 118.700 -0.390 0.000 2.402 106 N HA 0.304 5.063 4.740 0.032 0.000 0.259 106 N C 0.878 176.344 175.510 -0.072 0.000 1.167 106 N CA 0.828 53.678 53.050 -0.332 0.000 0.949 106 N CB -1.073 37.321 38.487 -0.154 0.000 1.212 106 N HN 0.705 nan 8.380 nan 0.000 0.493 107 G N 1.147 109.970 108.800 0.037 0.000 2.507 107 G HA2 -0.145 3.834 3.960 0.032 0.000 0.205 107 G HA3 -0.145 3.834 3.960 0.032 0.000 0.205 107 G C -0.044 174.914 174.900 0.097 0.000 0.996 107 G CA -0.053 45.104 45.100 0.095 0.000 0.776 107 G HN 0.693 nan 8.290 nan 0.000 0.532 108 S N 0.266 116.029 115.700 0.105 0.000 2.601 108 S HA 0.576 5.065 4.470 0.032 0.000 0.271 108 S C -0.559 174.100 174.600 0.097 0.000 1.305 108 S CA -0.727 57.523 58.200 0.083 0.000 1.022 108 S CB 1.542 64.782 63.200 0.067 0.000 0.940 108 S HN -0.038 nan 8.310 nan 0.000 0.525 109 P HA -0.012 nan 4.420 nan 0.000 0.217 109 P C -0.040 177.101 177.300 -0.265 0.000 1.150 109 P CA 0.634 63.535 63.100 -0.332 0.000 0.832 109 P CB 0.083 31.128 31.700 -1.092 0.000 0.787 110 R N 1.142 121.485 120.500 -0.263 0.000 2.446 110 R HA 0.264 4.623 4.340 0.032 0.000 0.314 110 R C -0.345 175.787 176.300 -0.280 0.000 1.003 110 R CA -0.204 55.765 56.100 -0.218 0.000 1.018 110 R CB -1.081 28.852 30.300 -0.611 0.000 0.945 110 R HN -0.014 nan 8.270 nan 0.000 0.419 111 A N 7.511 129.967 122.820 -0.605 0.000 2.440 111 A HA 0.304 4.644 4.320 0.032 0.000 0.251 111 A C -1.853 175.308 177.584 -0.705 0.000 1.089 111 A CA -1.235 50.175 52.037 -1.044 0.000 0.779 111 A CB 0.032 18.390 19.000 -1.070 0.000 1.022 111 A HN 0.765 nan 8.150 nan 0.000 0.492 112 P HA 0.080 nan 4.420 nan 0.000 0.235 112 P C 0.283 177.234 177.300 -0.582 0.000 1.765 112 P CA 0.124 62.495 63.100 -1.216 0.000 1.034 112 P CB -0.220 30.396 31.700 -1.807 0.000 1.984 113 V N 2.717 122.414 119.914 -0.362 0.000 3.209 113 V HA 0.143 4.282 4.120 0.032 0.000 0.305 113 V C 0.670 176.689 176.094 -0.125 0.000 1.127 113 V CA 0.057 62.237 62.300 -0.200 0.000 1.235 113 V CB 0.235 31.986 31.823 -0.119 0.000 0.987 113 V HN 0.558 nan 8.190 nan 0.000 0.499 114 A N 4.346 127.123 122.820 -0.072 0.000 2.466 114 A HA 0.545 4.885 4.320 0.032 0.000 0.238 114 A C 1.560 179.197 177.584 0.088 0.000 1.074 114 A CA 0.489 52.523 52.037 -0.005 0.000 0.774 114 A CB -0.134 18.880 19.000 0.022 0.000 1.015 114 A HN 2.647 nan 8.150 nan 0.000 0.498 115 G N -0.112 108.789 108.800 0.169 0.000 2.268 115 G HA2 0.114 4.093 3.960 0.032 0.000 0.240 115 G HA3 0.114 4.093 3.960 0.032 0.000 0.240 115 G C 0.762 175.849 174.900 0.313 0.000 1.010 115 G CA 0.636 45.955 45.100 0.365 0.000 0.618 115 G HN 2.216 nan 8.290 nan 0.000 0.516 116 A N 0.131 123.059 122.820 0.180 0.000 2.386 116 A HA 0.688 5.027 4.320 0.032 0.000 0.246 116 A C 0.527 178.233 177.584 0.203 0.000 1.089 116 A CA 0.229 52.388 52.037 0.204 0.000 0.790 116 A CB 0.309 19.422 19.000 0.188 0.000 1.042 116 A HN 0.946 nan 8.150 nan 0.000 0.497 117 L N 0.488 121.850 121.223 0.231 0.000 2.312 117 L HA 0.380 4.740 4.340 0.032 0.000 0.281 117 L C -0.499 176.497 176.870 0.210 0.000 1.070 117 L CA -0.461 54.494 54.840 0.192 0.000 0.805 117 L CB 1.266 43.414 42.059 0.148 0.000 1.174 117 L HN 0.612 nan 8.230 nan 0.000 0.434 118 L N 5.421 126.736 121.223 0.154 0.000 2.319 118 L HA 0.541 4.900 4.340 0.032 0.000 0.281 118 L C -0.718 176.171 176.870 0.032 0.000 1.005 118 L CA -0.206 54.692 54.840 0.096 0.000 0.828 118 L CB 0.989 43.071 42.059 0.038 0.000 1.227 118 L HN 0.259 nan 8.230 nan 0.000 0.415 119 I N 4.318 124.858 120.570 -0.050 0.000 2.441 119 I HA 0.337 4.526 4.170 0.032 0.000 0.295 119 I C -0.382 175.634 176.117 -0.167 0.000 0.994 119 I CA -0.851 60.433 61.300 -0.026 0.000 1.144 119 I CB 1.433 39.450 38.000 0.028 0.000 1.314 119 I HN 0.551 nan 8.210 nan 0.000 0.445 120 W N 3.408 124.670 121.300 -0.063 0.000 2.551 120 W HA 0.237 4.915 4.660 0.030 0.000 0.330 120 W C 0.028 176.567 176.519 0.033 0.000 1.063 120 W CA -0.129 57.209 57.345 -0.011 0.000 1.222 120 W CB 2.080 31.538 29.460 -0.003 0.000 1.349 120 W HN 0.461 nan 8.180 nan 0.000 0.536 121 D N 2.299 122.834 120.400 0.226 0.000 2.312 121 D HA 0.121 4.780 4.640 0.032 0.000 0.248 121 D C -0.164 176.228 176.300 0.152 0.000 1.086 121 D CA -0.228 53.855 54.000 0.138 0.000 0.948 121 D CB 1.147 41.940 40.800 -0.011 0.000 1.162 121 D HN 0.222 nan 8.370 nan 0.000 0.446 122 K N 0.819 121.188 120.400 -0.053 0.000 2.436 122 K HA 0.506 4.846 4.320 0.032 0.000 0.275 122 K C 0.236 176.828 176.600 -0.013 0.000 0.999 122 K CA -0.618 55.651 56.287 -0.030 0.000 0.980 122 K CB 0.461 32.809 32.500 -0.252 0.000 0.919 122 K HN 0.491 nan 8.250 nan 0.000 0.484 123 G N 0.603 109.439 108.800 0.060 0.000 2.343 123 G HA2 0.383 4.363 3.960 0.032 0.000 0.298 123 G HA3 0.383 4.363 3.960 0.032 0.000 0.298 123 G C 0.091 175.004 174.900 0.022 0.000 1.644 123 G CA -0.089 45.028 45.100 0.028 0.000 0.958 123 G HN 1.008 nan 8.290 nan 0.000 0.702 124 G N 0.952 109.735 108.800 -0.029 0.000 2.582 124 G HA2 -0.052 3.928 3.960 0.032 0.000 0.288 124 G HA3 -0.052 3.928 3.960 0.032 0.000 0.288 124 G C 1.227 175.999 174.900 -0.214 0.000 1.247 124 G CA 1.396 46.441 45.100 -0.092 0.000 0.972 124 G HN 2.147 nan 8.290 nan 0.000 0.557 125 E N 0.056 119.996 120.200 -0.434 0.000 2.236 125 E HA -0.145 4.225 4.350 0.032 0.000 0.205 125 E C 1.487 177.641 176.600 -0.743 0.000 1.028 125 E CA 2.276 58.208 56.400 -0.781 0.000 0.827 125 E CB -0.372 28.393 29.700 -1.558 0.000 0.735 125 E HN 0.511 nan 8.360 nan 0.000 0.470 126 F N 0.479 120.261 119.950 -0.280 0.000 2.732 126 F HA 0.311 4.858 4.527 0.034 0.000 0.312 126 F C 1.268 177.025 175.800 -0.072 0.000 1.240 126 F CA -0.958 56.928 58.000 -0.189 0.000 1.211 126 F CB 0.308 39.189 39.000 -0.198 0.000 1.331 126 F HN -0.178 nan 8.300 nan 0.000 0.537 127 K N 1.223 121.650 120.400 0.044 0.000 2.589 127 K HA -0.296 4.043 4.320 0.032 0.000 0.215 127 K C 1.461 178.091 176.600 0.051 0.000 0.669 127 K CA 2.423 58.726 56.287 0.027 0.000 0.850 127 K CB -0.211 32.297 32.500 0.012 0.000 0.275 127 K HN 0.498 nan 8.250 nan 0.000 1.053 128 D N -1.234 119.206 120.400 0.067 0.000 2.417 128 D HA -0.048 4.611 4.640 0.032 0.000 0.207 128 D C 1.621 178.041 176.300 0.200 0.000 1.075 128 D CA 1.185 55.230 54.000 0.076 0.000 0.851 128 D CB -0.158 40.678 40.800 0.059 0.000 0.976 128 D HN 0.499 nan 8.370 nan 0.000 0.505 129 T N -1.713 112.966 114.554 0.209 0.000 2.867 129 T HA 0.230 4.599 4.350 0.032 0.000 0.268 129 T C 1.410 176.332 174.700 0.370 0.000 1.057 129 T CA 1.222 63.478 62.100 0.260 0.000 1.136 129 T CB -0.476 68.504 68.868 0.186 0.000 0.874 129 T HN 0.496 nan 8.240 nan 0.000 0.466 130 G N 0.740 109.738 108.800 0.330 0.000 2.632 130 G HA2 -0.010 3.969 3.960 0.032 0.000 0.224 130 G HA3 -0.010 3.969 3.960 0.032 0.000 0.224 130 G C -0.521 174.473 174.900 0.157 0.000 1.341 130 G CA -0.083 45.227 45.100 0.351 0.000 0.880 130 G HN 1.137 nan 8.290 nan 0.000 0.566 131 H N -2.109 116.948 119.070 -0.020 0.000 3.020 131 H HA 0.521 5.097 4.556 0.033 0.000 0.303 131 H C -1.792 173.587 175.328 0.086 0.000 1.332 131 H CA 0.157 56.043 56.048 -0.268 0.000 1.282 131 H CB 1.600 30.561 29.762 -1.336 0.000 1.928 131 H HN 1.435 nan 8.280 nan 0.000 0.519 132 V N 2.326 121.808 119.914 -0.719 0.000 3.007 132 V HA 0.926 5.065 4.120 0.032 0.000 0.311 132 V C -1.415 174.476 176.094 -0.338 0.000 1.120 132 V CA 0.416 62.556 62.300 -0.267 0.000 0.980 132 V CB 1.574 33.338 31.823 -0.098 0.000 1.033 132 V HN 1.076 nan 8.190 nan 0.000 0.429 133 A N 5.249 128.118 122.820 0.081 0.000 2.599 133 A HA 0.857 5.197 4.320 0.032 0.000 0.290 133 A C -1.861 175.831 177.584 0.180 0.000 1.101 133 A CA -0.624 51.526 52.037 0.188 0.000 0.674 133 A CB 1.686 20.892 19.000 0.344 0.000 1.277 133 A HN 0.726 nan 8.150 nan 0.000 0.419 134 I N 1.335 121.991 120.570 0.144 0.000 2.378 134 I HA 0.337 4.526 4.170 0.032 0.000 0.291 134 I C -0.203 175.903 176.117 -0.018 0.000 0.992 134 I CA -0.356 60.944 61.300 0.000 0.000 1.154 134 I CB 1.221 39.014 38.000 -0.344 0.000 1.315 134 I HN 0.539 nan 8.210 nan 0.000 0.448 135 I N 5.850 126.417 120.570 -0.006 0.000 2.505 135 I HA -0.053 4.137 4.170 0.032 0.000 0.287 135 I C 1.642 177.734 176.117 -0.042 0.000 1.104 135 I CA 0.270 61.548 61.300 -0.038 0.000 1.387 135 I CB 0.926 38.881 38.000 -0.074 0.000 1.404 135 I HN 0.723 nan 8.210 nan 0.000 0.528 136 T N 2.653 117.181 114.554 -0.042 0.000 3.037 136 T HA 0.098 4.467 4.350 0.032 0.000 0.252 136 T C 0.387 175.079 174.700 -0.013 0.000 1.073 136 T CA 0.052 62.159 62.100 0.011 0.000 1.091 136 T CB 0.247 69.159 68.868 0.075 0.000 0.935 136 T HN 0.719 nan 8.240 nan 0.000 0.488 137 Q N -0.375 119.349 119.800 -0.128 0.000 2.594 137 Q HA 0.593 4.953 4.340 0.032 0.000 0.278 137 Q C -2.340 173.423 176.000 -0.395 0.000 0.961 137 Q CA -1.133 54.555 55.803 -0.191 0.000 0.844 137 Q CB 0.844 29.511 28.738 -0.118 0.000 1.475 137 Q HN 0.146 nan 8.270 nan 0.000 0.389 138 L N 1.454 122.485 121.223 -0.321 0.000 2.331 138 L HA 0.494 4.853 4.340 0.032 0.000 0.275 138 L C -0.427 176.290 176.870 -0.255 0.000 1.022 138 L CA -0.159 54.482 54.840 -0.330 0.000 0.812 138 L CB 1.500 43.456 42.059 -0.171 0.000 1.257 138 L HN 0.867 nan 8.230 nan 0.000 0.435 139 H N 1.748 120.770 119.070 -0.080 0.000 2.750 139 H HA 0.295 4.871 4.556 0.033 0.000 0.239 139 H C 1.163 176.463 175.328 -0.047 0.000 1.210 139 H CA 0.194 56.201 56.048 -0.068 0.000 0.936 139 H CB 0.767 30.474 29.762 -0.091 0.000 2.074 139 H HN 0.869 nan 8.280 nan 0.000 0.622 140 G N 2.610 111.448 108.800 0.062 0.000 2.746 140 G HA2 -0.484 3.496 3.960 0.032 0.000 0.236 140 G HA3 -0.484 3.496 3.960 0.032 0.000 0.236 140 G C 1.277 176.183 174.900 0.011 0.000 1.172 140 G CA 1.250 46.373 45.100 0.037 0.000 0.736 140 G HN 0.581 nan 8.290 nan 0.000 0.519 141 N N 0.377 119.088 118.700 0.019 0.000 2.143 141 N HA 0.141 4.900 4.740 0.032 0.000 0.222 141 N C 0.404 175.912 175.510 -0.002 0.000 1.264 141 N CA 1.059 54.108 53.050 -0.002 0.000 0.897 141 N CB 0.464 38.950 38.487 -0.002 0.000 1.092 141 N HN 0.881 nan 8.380 nan 0.000 0.516 142 K N -0.747 119.652 120.400 -0.001 0.000 2.499 142 K HA 0.661 5.001 4.320 0.032 0.000 0.277 142 K C -1.696 174.799 176.600 -0.175 0.000 1.025 142 K CA -0.783 55.475 56.287 -0.047 0.000 0.900 142 K CB 2.111 34.614 32.500 0.005 0.000 1.494 142 K HN -0.188 nan 8.250 nan 0.000 0.442 143 V N 0.443 120.220 119.914 -0.228 0.000 2.932 143 V HA 0.484 4.623 4.120 0.032 0.000 0.307 143 V C -1.211 174.691 176.094 -0.321 0.000 1.147 143 V CA -0.874 61.233 62.300 -0.323 0.000 0.951 143 V CB 2.226 33.915 31.823 -0.223 0.000 1.031 143 V HN 0.712 nan 8.190 nan 0.000 0.426 144 R N 3.683 123.949 120.500 -0.390 0.000 2.514 144 R HA 0.804 5.164 4.340 0.032 0.000 0.301 144 R C -0.826 175.405 176.300 -0.115 0.000 0.962 144 R CA -0.563 55.335 56.100 -0.338 0.000 0.882 144 R CB 2.177 32.108 30.300 -0.614 0.000 1.143 144 R HN 0.804 nan 8.270 nan 0.000 0.452 145 I N -1.533 119.061 120.570 0.040 0.000 3.042 145 I HA 0.892 5.081 4.170 0.032 0.000 0.310 145 I C -1.141 175.071 176.117 0.158 0.000 1.117 145 I CA -1.112 60.251 61.300 0.105 0.000 1.003 145 I CB 2.518 40.624 38.000 0.178 0.000 1.228 145 I HN 0.607 nan 8.210 nan 0.000 0.443 146 A N 3.303 126.171 122.820 0.080 0.000 2.386 146 A HA 0.872 5.211 4.320 0.032 0.000 0.311 146 A C -0.713 176.754 177.584 -0.195 0.000 1.068 146 A CA -0.399 51.604 52.037 -0.057 0.000 0.743 146 A CB 1.449 20.416 19.000 -0.054 0.000 1.258 146 A HN 0.962 nan 8.150 nan 0.000 0.429 147 E N 0.386 120.333 120.200 -0.422 0.000 2.394 147 E HA 0.408 4.777 4.350 0.032 0.000 0.266 147 E C -0.442 175.873 176.600 -0.475 0.000 1.065 147 E CA -0.685 55.517 56.400 -0.330 0.000 0.885 147 E CB 1.028 30.788 29.700 0.100 0.000 1.659 147 E HN 0.474 nan 8.360 nan 0.000 0.462 148 Q N -0.673 119.038 119.800 -0.148 0.000 2.384 148 Q HA 0.219 4.578 4.340 0.032 0.000 0.264 148 Q C 0.165 176.117 176.000 -0.081 0.000 0.825 148 Q CA 0.136 55.854 55.803 -0.142 0.000 0.984 148 Q CB 0.702 29.465 28.738 0.041 0.000 1.183 148 Q HN 0.537 nan 8.270 nan 0.000 0.537 149 N N 0.210 118.966 118.700 0.093 0.000 2.839 149 N HA 0.182 4.941 4.740 0.032 0.000 0.314 149 N C -0.150 175.463 175.510 0.172 0.000 1.449 149 N CA -0.126 53.011 53.050 0.143 0.000 1.050 149 N CB 0.853 39.508 38.487 0.279 0.000 1.364 149 N HN -0.025 nan 8.380 nan 0.000 0.512 150 V N 0.041 120.014 119.914 0.098 0.000 3.103 150 V HA 0.239 4.379 4.120 0.032 0.000 0.229 150 V C 0.096 176.314 176.094 0.205 0.000 1.304 150 V CA 0.184 62.557 62.300 0.122 0.000 1.298 150 V CB 0.341 32.187 31.823 0.039 0.000 1.093 150 V HN 0.292 nan 8.190 nan 0.000 0.489 151 I N -1.669 118.976 120.570 0.125 0.000 2.509 151 I HA 0.664 4.853 4.170 0.032 0.000 0.293 151 I C -0.382 175.797 176.117 0.104 0.000 1.020 151 I CA -0.170 61.222 61.300 0.154 0.000 1.088 151 I CB 1.637 39.661 38.000 0.039 0.000 1.267 151 I HN 0.091 nan 8.210 nan 0.000 0.430 152 H N 3.645 122.704 119.070 -0.019 0.000 2.502 152 H HA 0.512 5.087 4.556 0.032 0.000 0.268 152 H C -0.580 174.718 175.328 -0.050 0.000 1.177 152 H CA -0.389 55.639 56.048 -0.032 0.000 0.961 152 H CB 0.053 29.819 29.762 0.008 0.000 1.737 152 H HN 0.747 nan 8.280 nan 0.000 0.569 153 S N -0.098 115.609 115.700 0.012 0.000 2.548 153 S HA 0.538 5.027 4.470 0.032 0.000 0.286 153 S C -2.985 171.563 174.600 -0.087 0.000 1.098 153 S CA -1.826 56.359 58.200 -0.026 0.000 0.930 153 S CB 2.953 66.146 63.200 -0.012 0.000 1.070 153 S HN -0.011 nan 8.310 nan 0.000 0.480 154 P HA 0.079 nan 4.420 nan 0.000 0.267 154 P C -0.846 176.373 177.300 -0.135 0.000 1.195 154 P CA -0.112 62.915 63.100 -0.123 0.000 0.773 154 P CB 0.397 32.041 31.700 -0.093 0.000 0.837 155 L N 3.036 124.160 121.223 -0.164 0.000 2.334 155 L HA 0.434 4.793 4.340 0.032 0.000 0.270 155 L C -1.945 174.822 176.870 -0.172 0.000 1.018 155 L CA -2.622 52.101 54.840 -0.195 0.000 0.811 155 L CB 0.819 42.729 42.059 -0.249 0.000 1.271 155 L HN 0.214 nan 8.230 nan 0.000 0.443 156 P HA -0.079 nan 4.420 nan 0.000 0.257 156 P C -0.952 176.276 177.300 -0.121 0.000 1.162 156 P CA 0.187 63.195 63.100 -0.154 0.000 0.762 156 P CB 0.138 31.718 31.700 -0.199 0.000 0.753 157 Q N 2.569 122.324 119.800 -0.076 0.000 2.687 157 Q HA -0.003 4.356 4.340 0.032 0.000 0.341 157 Q C 1.556 177.531 176.000 -0.041 0.000 1.074 157 Q CA 1.265 57.039 55.803 -0.047 0.000 1.115 157 Q CB -0.544 28.175 28.738 -0.031 0.000 0.996 157 Q HN 0.883 nan 8.270 nan 0.000 0.397 158 G N 2.353 111.138 108.800 -0.025 0.000 2.284 158 G HA2 -0.381 3.599 3.960 0.032 0.000 0.247 158 G HA3 -0.381 3.599 3.960 0.032 0.000 0.247 158 G C 0.221 175.113 174.900 -0.015 0.000 1.012 158 G CA 0.359 45.455 45.100 -0.006 0.000 0.618 158 G HN 0.621 nan 8.290 nan 0.000 0.521 159 Q N 1.046 120.789 119.800 -0.094 0.000 2.255 159 Q HA 0.366 4.726 4.340 0.032 0.000 0.280 159 Q C 0.389 176.289 176.000 -0.165 0.000 1.068 159 Q CA 0.270 55.955 55.803 -0.198 0.000 0.911 159 Q CB 0.113 28.562 28.738 -0.482 0.000 1.157 159 Q HN 0.591 nan 8.270 nan 0.000 0.380 160 Q N 6.400 126.220 119.800 0.033 0.000 2.936 160 Q HA 0.219 4.579 4.340 0.032 0.000 0.383 160 Q C -1.254 174.932 176.000 0.311 0.000 1.167 160 Q CA -0.266 55.628 55.803 0.152 0.000 1.038 160 Q CB 0.279 29.147 28.738 0.217 0.000 1.409 160 Q HN 0.553 nan 8.270 nan 0.000 0.448 161 W N -1.246 120.060 121.300 0.009 0.000 3.161 161 W HA 0.199 4.878 4.660 0.031 0.000 0.314 161 W C -0.208 176.290 176.519 -0.035 0.000 1.245 161 W CA -0.536 56.803 57.345 -0.010 0.000 1.191 161 W CB 0.334 29.804 29.460 0.017 0.000 1.392 161 W HN 0.037 nan 8.180 nan 0.000 0.568 162 T N -1.841 112.853 114.554 0.233 0.000 2.971 162 T HA 0.411 4.780 4.350 0.032 0.000 0.252 162 T C 0.399 175.252 174.700 0.255 0.000 1.022 162 T CA 0.162 62.307 62.100 0.075 0.000 0.980 162 T CB 0.873 69.734 68.868 -0.012 0.000 1.044 162 T HN 0.437 nan 8.240 nan 0.000 0.501 163 R N -0.005 120.790 120.500 0.493 0.000 2.716 163 R HA 0.552 4.911 4.340 0.032 0.000 0.271 163 R C -1.757 174.730 176.300 0.313 0.000 1.028 163 R CA -0.718 55.634 56.100 0.419 0.000 0.883 163 R CB 1.850 32.307 30.300 0.262 0.000 1.250 163 R HN 0.231 nan 8.270 nan 0.000 0.465 164 E N 1.901 122.201 120.200 0.165 0.000 2.224 164 E HA 0.431 4.800 4.350 0.032 0.000 0.265 164 E C -0.902 175.712 176.600 0.023 0.000 0.878 164 E CA -0.575 55.801 56.400 -0.041 0.000 0.759 164 E CB 2.224 31.836 29.700 -0.148 0.000 1.164 164 E HN 0.208 nan 8.360 nan 0.000 0.414 165 L N 1.756 122.981 121.223 0.004 0.000 2.334 165 L HA 0.427 4.786 4.340 0.032 0.000 0.273 165 L C 0.235 177.105 176.870 0.002 0.000 1.013 165 L CA -0.836 54.029 54.840 0.042 0.000 0.816 165 L CB 1.605 43.716 42.059 0.085 0.000 1.278 165 L HN 0.529 nan 8.230 nan 0.000 0.431 166 E N 3.100 123.313 120.200 0.021 0.000 2.217 166 E HA 0.169 4.539 4.350 0.032 0.000 0.279 166 E C -0.828 175.778 176.600 0.009 0.000 1.068 166 E CA -0.276 56.130 56.400 0.009 0.000 0.882 166 E CB 1.004 30.714 29.700 0.018 0.000 1.039 166 E HN 0.416 nan 8.360 nan 0.000 0.418 167 M N 6.189 125.783 119.600 -0.010 0.000 2.088 167 M HA 0.212 4.711 4.480 0.032 0.000 0.346 167 M C -1.003 175.289 176.300 -0.013 0.000 1.111 167 M CA -0.831 54.466 55.300 -0.005 0.000 1.017 167 M CB 0.885 33.471 32.600 -0.023 0.000 1.568 167 M HN 0.295 nan 8.290 nan 0.000 0.445 168 V N 4.436 124.344 119.914 -0.009 0.000 2.370 168 V HA 0.588 4.727 4.120 0.032 0.000 0.279 168 V C -0.695 175.336 176.094 -0.105 0.000 1.029 168 V CA -0.635 61.639 62.300 -0.043 0.000 0.870 168 V CB 1.127 32.937 31.823 -0.020 0.000 0.984 168 V HN 0.608 nan 8.190 nan 0.000 0.451 169 V N 5.510 125.315 119.914 -0.182 0.000 2.311 169 V HA 0.486 4.625 4.120 0.032 0.000 0.275 169 V C -0.009 175.946 176.094 -0.231 0.000 1.022 169 V CA -0.273 61.820 62.300 -0.344 0.000 0.830 169 V CB 0.476 32.005 31.823 -0.489 0.000 1.012 169 V HN 1.048 nan 8.190 nan 0.000 0.452 170 E N 3.810 123.899 120.200 -0.185 0.000 2.182 170 E HA 0.441 4.811 4.350 0.032 0.000 0.258 170 E C -0.471 176.065 176.600 -0.107 0.000 0.879 170 E CA -0.883 55.448 56.400 -0.116 0.000 0.754 170 E CB 0.979 30.637 29.700 -0.070 0.000 1.162 170 E HN 0.672 nan 8.360 nan 0.000 0.419 171 N N 2.650 121.294 118.700 -0.095 0.000 2.667 171 N HA -0.258 4.502 4.740 0.032 0.000 0.263 171 N C 0.803 176.269 175.510 -0.074 0.000 1.038 171 N CA 1.246 54.255 53.050 -0.069 0.000 0.749 171 N CB -0.856 37.605 38.487 -0.043 0.000 0.892 171 N HN 1.013 nan 8.380 nan 0.000 0.546 172 G N -1.979 106.761 108.800 -0.100 0.000 2.435 172 G HA2 -0.411 3.568 3.960 0.032 0.000 0.245 172 G HA3 -0.411 3.568 3.960 0.032 0.000 0.245 172 G C 0.691 175.554 174.900 -0.061 0.000 1.073 172 G CA 0.426 45.485 45.100 -0.069 0.000 0.638 172 G HN 0.707 nan 8.290 nan 0.000 0.521 173 C N 0.454 119.705 119.300 -0.082 0.000 2.534 173 C HA 0.684 5.164 4.460 0.032 0.000 0.385 173 C C 0.008 174.962 174.990 -0.059 0.000 1.264 173 C CA -0.421 58.602 59.018 0.008 0.000 2.342 173 C CB -0.059 27.684 27.740 0.006 0.000 2.564 173 C HN 0.344 nan 8.230 nan 0.000 0.603 174 Y N 0.414 120.748 120.300 0.057 0.000 2.350 174 Y HA 0.467 5.037 4.550 0.033 0.000 0.338 174 Y C 0.545 176.566 175.900 0.201 0.000 0.961 174 Y CA -0.241 57.916 58.100 0.094 0.000 1.100 174 Y CB 1.662 40.168 38.460 0.077 0.000 1.179 174 Y HN 0.582 nan 8.280 nan 0.000 0.454 175 T N 4.908 119.601 114.554 0.232 0.000 2.876 175 T HA 0.664 5.033 4.350 0.032 0.000 0.289 175 T C -0.713 174.086 174.700 0.166 0.000 1.014 175 T CA -0.719 61.508 62.100 0.212 0.000 0.986 175 T CB 1.052 69.984 68.868 0.106 0.000 1.021 175 T HN 0.360 nan 8.240 nan 0.000 0.458 176 L N 2.245 123.582 121.223 0.189 0.000 2.342 176 L HA 0.626 4.986 4.340 0.032 0.000 0.271 176 L C 0.041 176.972 176.870 0.102 0.000 1.008 176 L CA -0.989 53.922 54.840 0.118 0.000 0.818 176 L CB 1.789 43.922 42.059 0.125 0.000 1.296 176 L HN 0.275 nan 8.230 nan 0.000 0.427 177 K N 1.934 122.388 120.400 0.090 0.000 2.358 177 K HA 0.248 4.587 4.320 0.032 0.000 0.260 177 K C -1.398 175.291 176.600 0.148 0.000 0.956 177 K CA -0.665 55.683 56.287 0.102 0.000 0.834 177 K CB 1.902 34.445 32.500 0.072 0.000 1.102 177 K HN 0.526 nan 8.250 nan 0.000 0.431 178 D N 1.390 121.924 120.400 0.224 0.000 2.302 178 D HA -0.006 4.653 4.640 0.032 0.000 0.248 178 D C 1.196 177.644 176.300 0.246 0.000 1.094 178 D CA -0.051 54.167 54.000 0.363 0.000 0.897 178 D CB 1.391 42.584 40.800 0.656 0.000 1.200 178 D HN 0.580 nan 8.370 nan 0.000 0.429 179 T N 0.575 115.222 114.554 0.155 0.000 3.093 179 T HA -0.067 4.303 4.350 0.032 0.000 0.270 179 T C 0.623 175.134 174.700 -0.315 0.000 1.170 179 T CA 0.604 62.634 62.100 -0.116 0.000 1.072 179 T CB -0.669 68.039 68.868 -0.267 0.000 0.863 179 T HN 0.235 nan 8.240 nan 0.000 0.562 180 F N 1.966 121.966 119.950 0.084 0.000 2.470 180 F HA 0.447 4.994 4.527 0.033 0.000 0.329 180 F C 1.213 177.030 175.800 0.029 0.000 1.072 180 F CA -1.552 56.450 58.000 0.004 0.000 0.989 180 F CB 1.550 40.486 39.000 -0.107 0.000 1.193 180 F HN 0.026 nan 8.300 nan 0.000 0.481 181 D N -1.324 119.186 120.400 0.183 0.000 2.333 181 D HA -0.101 4.558 4.640 0.032 0.000 0.208 181 D C 0.775 177.134 176.300 0.098 0.000 0.984 181 D CA 0.740 54.807 54.000 0.111 0.000 0.873 181 D CB -0.210 40.629 40.800 0.064 0.000 0.935 181 D HN 0.497 nan 8.370 nan 0.000 0.521 182 D N -0.170 120.285 120.400 0.092 0.000 2.433 182 D HA 0.007 4.667 4.640 0.032 0.000 0.211 182 D C 0.439 176.771 176.300 0.054 0.000 1.114 182 D CA -0.029 54.000 54.000 0.048 0.000 0.837 182 D CB -0.654 40.148 40.800 0.004 0.000 0.984 182 D HN 0.225 nan 8.370 nan 0.000 0.505 183 T N -2.034 112.585 114.554 0.108 0.000 2.918 183 T HA 0.580 4.950 4.350 0.032 0.000 0.283 183 T C 0.068 174.927 174.700 0.265 0.000 1.001 183 T CA -0.451 61.760 62.100 0.185 0.000 1.041 183 T CB 1.665 70.667 68.868 0.223 0.000 1.028 183 T HN -0.089 nan 8.240 nan 0.000 0.511 184 T N 2.171 116.909 114.554 0.306 0.000 2.812 184 T HA 0.516 4.885 4.350 0.032 0.000 0.282 184 T C -0.193 174.603 174.700 0.160 0.000 0.990 184 T CA -0.579 61.632 62.100 0.185 0.000 0.960 184 T CB 0.602 69.521 68.868 0.084 0.000 0.948 184 T HN 0.598 nan 8.240 nan 0.000 0.438 185 I N 4.188 124.728 120.570 -0.050 0.000 2.307 185 I HA 0.229 4.418 4.170 0.032 0.000 0.289 185 I C 1.256 177.151 176.117 -0.370 0.000 1.021 185 I CA -0.518 60.556 61.300 -0.377 0.000 1.224 185 I CB 1.297 39.029 38.000 -0.447 0.000 1.376 185 I HN 0.595 nan 8.210 nan 0.000 0.470 186 L N 5.838 126.754 121.223 -0.512 0.000 1.994 186 L HA 0.032 4.391 4.340 0.032 0.000 0.208 186 L C 1.236 177.591 176.870 -0.858 0.000 1.071 186 L CA 1.237 55.600 54.840 -0.795 0.000 0.745 186 L CB -0.438 40.791 42.059 -1.383 0.000 0.892 186 L HN 0.867 nan 8.230 nan 0.000 0.431 187 G N -2.493 105.827 108.800 -0.800 0.000 2.368 187 G HA2 0.150 4.130 3.960 0.032 0.000 0.269 187 G HA3 0.150 4.130 3.960 0.032 0.000 0.269 187 G C -2.335 172.509 174.900 -0.093 0.000 1.291 187 G CA -0.385 44.398 45.100 -0.529 0.000 0.903 187 G HN 0.171 nan 8.290 nan 0.000 0.483 188 W N -1.139 120.297 121.300 0.226 0.000 2.929 188 W HA 0.888 5.568 4.660 0.032 0.000 0.345 188 W C -0.455 176.260 176.519 0.326 0.000 1.151 188 W CA -1.365 56.111 57.345 0.217 0.000 1.111 188 W CB 1.209 30.746 29.460 0.129 0.000 1.449 188 W HN 0.534 nan 8.180 nan 0.000 0.572 189 M N 2.134 122.012 119.600 0.463 0.000 2.457 189 M HA 0.579 5.078 4.480 0.032 0.000 0.300 189 M C -1.212 175.291 176.300 0.338 0.000 1.141 189 M CA -0.721 54.744 55.300 0.274 0.000 0.901 189 M CB 2.545 35.202 32.600 0.094 0.000 1.687 189 M HN 0.401 nan 8.290 nan 0.000 0.449 190 I N 1.848 122.623 120.570 0.342 0.000 2.512 190 I HA 0.210 4.399 4.170 0.032 0.000 0.287 190 I C -0.408 175.827 176.117 0.196 0.000 1.069 190 I CA -0.788 60.700 61.300 0.313 0.000 1.056 190 I CB 2.071 40.329 38.000 0.430 0.000 1.229 190 I HN 0.607 nan 8.210 nan 0.000 0.429 191 Q N 5.501 125.381 119.800 0.134 0.000 2.325 191 Q HA 0.191 4.551 4.340 0.032 0.000 0.256 191 Q C -0.801 175.248 176.000 0.081 0.000 1.142 191 Q CA 0.762 56.621 55.803 0.093 0.000 0.902 191 Q CB 0.596 29.381 28.738 0.078 0.000 1.350 191 Q HN 0.808 nan 8.270 nan 0.000 0.449 192 T N 1.800 116.407 114.554 0.089 0.000 2.802 192 T HA 0.266 4.635 4.350 0.032 0.000 0.311 192 T C -0.016 174.721 174.700 0.061 0.000 1.405 192 T CA -0.445 61.701 62.100 0.077 0.000 1.016 192 T CB 1.203 70.137 68.868 0.109 0.000 1.352 192 T HN 0.600 nan 8.240 nan 0.000 0.498 193 E N 0.492 120.715 120.200 0.040 0.000 2.447 193 E HA 0.068 4.437 4.350 0.032 0.000 0.195 193 E C -0.381 176.231 176.600 0.021 0.000 1.028 193 E CA -0.069 56.346 56.400 0.024 0.000 0.876 193 E CB 0.314 30.020 29.700 0.010 0.000 0.885 193 E HN 0.455 nan 8.360 nan 0.000 0.500 194 D N 1.137 121.557 120.400 0.034 0.000 2.352 194 D HA -0.028 4.631 4.640 0.032 0.000 0.245 194 D C 0.871 177.206 176.300 0.058 0.000 1.224 194 D CA 0.164 54.176 54.000 0.019 0.000 0.879 194 D CB 1.075 41.875 40.800 0.001 0.000 1.057 194 D HN 0.008 nan 8.370 nan 0.000 0.491 195 T N 0.548 115.114 114.554 0.020 0.000 3.129 195 T HA 0.034 4.404 4.350 0.032 0.000 0.251 195 T C 0.789 175.514 174.700 0.041 0.000 1.117 195 T CA -0.308 61.809 62.100 0.028 0.000 1.034 195 T CB -0.044 68.816 68.868 -0.014 0.000 0.968 195 T HN 0.407 nan 8.240 nan 0.000 0.526 196 E N 0.465 120.640 120.200 -0.042 0.000 2.413 196 E HA 0.034 4.403 4.350 0.032 0.000 0.263 196 E C -0.334 176.248 176.600 -0.030 0.000 1.015 196 E CA -0.120 56.165 56.400 -0.193 0.000 0.916 196 E CB 0.094 29.479 29.700 -0.526 0.000 0.947 196 E HN 0.614 nan 8.360 nan 0.000 0.440 197 Y N -0.220 120.174 120.300 0.156 0.000 4.784 197 Y HA -0.380 4.189 4.550 0.032 0.000 0.278 197 Y C 0.941 177.041 175.900 0.334 0.000 0.980 197 Y CA 0.329 58.548 58.100 0.199 0.000 1.845 197 Y CB -1.837 36.706 38.460 0.139 0.000 1.177 197 Y HN 0.579 nan 8.280 nan 0.000 0.460 198 S N 1.287 117.245 115.700 0.430 0.000 2.624 198 S HA 0.625 5.115 4.470 0.032 0.000 0.263 198 S C -0.131 174.443 174.600 -0.045 0.000 1.287 198 S CA -0.888 57.349 58.200 0.061 0.000 0.990 198 S CB 1.495 64.561 63.200 -0.224 0.000 0.950 198 S HN 0.285 nan 8.310 nan 0.000 0.561 199 L N 1.311 122.415 121.223 -0.200 0.000 2.357 199 L HA 0.484 4.843 4.340 0.032 0.000 0.273 199 L C -2.210 174.560 176.870 -0.167 0.000 1.080 199 L CA -2.293 52.452 54.840 -0.158 0.000 0.803 199 L CB 0.877 42.812 42.059 -0.207 0.000 1.174 199 L HN 0.518 nan 8.230 nan 0.000 0.443 200 P HA 0.062 nan 4.420 nan 0.000 0.275 200 P C -1.078 176.150 177.300 -0.119 0.000 1.227 200 P CA -0.450 62.591 63.100 -0.098 0.000 0.781 200 P CB 0.529 32.193 31.700 -0.060 0.000 0.906 201 Q N 4.812 124.541 119.800 -0.120 0.000 2.276 201 Q HA 0.095 4.454 4.340 0.032 0.000 0.267 201 Q C -1.736 174.214 176.000 -0.083 0.000 1.135 201 Q CA -1.717 54.015 55.803 -0.119 0.000 0.910 201 Q CB -0.051 28.619 28.738 -0.114 0.000 1.271 201 Q HN 0.317 nan 8.270 nan 0.000 0.417 202 P HA -0.129 nan 4.420 nan 0.000 0.268 202 P C -0.833 176.459 177.300 -0.013 0.000 1.189 202 P CA 0.677 63.767 63.100 -0.017 0.000 0.771 202 P CB 0.664 32.377 31.700 0.022 0.000 0.822 203 E N 1.003 121.204 120.200 0.002 0.000 2.312 203 E HA 0.445 4.814 4.350 0.032 0.000 0.267 203 E C -0.448 176.171 176.600 0.031 0.000 0.894 203 E CA -1.041 55.363 56.400 0.007 0.000 0.773 203 E CB 2.081 31.779 29.700 -0.003 0.000 1.241 203 E HN 0.326 nan 8.360 nan 0.000 0.432 204 I N 1.335 121.930 120.570 0.043 0.000 2.385 204 I HA 0.278 4.467 4.170 0.032 0.000 0.294 204 I C -0.189 175.953 176.117 0.043 0.000 0.988 204 I CA -0.463 60.866 61.300 0.049 0.000 1.265 204 I CB 1.202 39.236 38.000 0.055 0.000 1.388 204 I HN 0.567 nan 8.210 nan 0.000 0.480 205 A N 6.129 128.972 122.820 0.039 0.000 2.507 205 A HA 0.289 4.628 4.320 0.032 0.000 0.281 205 A C 1.593 179.199 177.584 0.036 0.000 1.154 205 A CA 0.530 52.587 52.037 0.034 0.000 0.828 205 A CB -1.030 17.988 19.000 0.030 0.000 1.069 205 A HN 1.150 nan 8.150 nan 0.000 0.522 206 G N 1.979 110.803 108.800 0.040 0.000 2.717 206 G HA2 -0.367 3.612 3.960 0.032 0.000 0.224 206 G HA3 -0.367 3.612 3.960 0.032 0.000 0.224 206 G C 1.231 176.152 174.900 0.035 0.000 1.088 206 G CA 1.506 46.632 45.100 0.044 0.000 0.734 206 G HN 0.824 nan 8.290 nan 0.000 0.616 207 E N 0.166 120.383 120.200 0.029 0.000 2.204 207 E HA 0.016 4.385 4.350 0.032 0.000 0.194 207 E C 2.407 179.021 176.600 0.024 0.000 0.989 207 E CA 0.554 56.969 56.400 0.024 0.000 0.824 207 E CB -0.329 29.384 29.700 0.021 0.000 0.756 207 E HN 0.497 nan 8.360 nan 0.000 0.477 208 L N -0.243 120.996 121.223 0.026 0.000 2.313 208 L HA 0.041 4.400 4.340 0.032 0.000 0.214 208 L C 1.800 178.681 176.870 0.019 0.000 1.119 208 L CA 0.395 55.251 54.840 0.025 0.000 0.809 208 L CB -0.069 42.008 42.059 0.031 0.000 0.933 208 L HN 0.150 nan 8.230 nan 0.000 0.449 209 L N -0.422 120.813 121.223 0.020 0.000 2.591 209 L HA 0.048 4.407 4.340 0.032 0.000 0.228 209 L C 0.567 177.443 176.870 0.011 0.000 1.133 209 L CA 0.149 54.996 54.840 0.011 0.000 0.880 209 L CB -0.261 41.811 42.059 0.023 0.000 1.033 209 L HN 0.133 nan 8.230 nan 0.000 0.450 210 K N 1.222 121.632 120.400 0.016 0.000 2.298 210 K HA 0.353 4.692 4.320 0.032 0.000 0.280 210 K C -0.267 176.341 176.600 0.014 0.000 1.032 210 K CA -0.218 56.079 56.287 0.016 0.000 0.958 210 K CB 1.439 33.950 32.500 0.019 0.000 0.978 210 K HN 0.032 nan 8.250 nan 0.000 0.472 211 I N 2.439 123.017 120.570 0.014 0.000 2.325 211 I HA 0.064 4.253 4.170 0.032 0.000 0.291 211 I C -0.034 176.128 176.117 0.076 0.000 1.019 211 I CA -0.148 61.167 61.300 0.026 0.000 1.302 211 I CB 1.327 39.310 38.000 -0.027 0.000 1.401 211 I HN 0.501 nan 8.210 nan 0.000 0.485 212 S N 3.856 119.606 115.700 0.083 0.000 2.608 212 S HA 0.639 5.128 4.470 0.032 0.000 0.291 212 S C 0.260 174.894 174.600 0.058 0.000 1.146 212 S CA -0.766 57.468 58.200 0.057 0.000 1.043 212 S CB 1.839 65.036 63.200 -0.006 0.000 1.037 212 S HN 0.771 nan 8.310 nan 0.000 0.520 213 G N 0.144 108.915 108.800 -0.049 0.000 2.377 213 G HA2 0.643 4.622 3.960 0.032 0.000 0.299 213 G HA3 0.643 4.622 3.960 0.032 0.000 0.299 213 G C -0.658 173.925 174.900 -0.529 0.000 1.150 213 G CA -0.509 44.398 45.100 -0.321 0.000 0.847 213 G HN 0.914 nan 8.290 nan 0.000 0.501 214 A N 1.954 124.191 122.820 -0.971 0.000 2.532 214 A HA 0.962 5.301 4.320 0.032 0.000 0.290 214 A C -0.374 176.662 177.584 -0.913 0.000 1.143 214 A CA -0.892 50.566 52.037 -0.966 0.000 0.728 214 A CB 2.001 20.092 19.000 -1.516 0.000 1.317 214 A HN 0.908 nan 8.150 nan 0.000 0.414 215 R N 0.054 120.333 120.500 -0.368 0.000 2.740 215 R HA 0.724 5.083 4.340 0.032 0.000 0.273 215 R C -1.792 174.696 176.300 0.314 0.000 0.998 215 R CA -0.623 55.480 56.100 0.005 0.000 0.900 215 R CB 1.330 31.619 30.300 -0.019 0.000 1.223 215 R HN 0.696 nan 8.270 nan 0.000 0.466 216 L N 1.556 123.015 121.223 0.392 0.000 2.352 216 L HA 0.437 4.796 4.340 0.032 0.000 0.269 216 L C 0.223 177.244 176.870 0.251 0.000 1.034 216 L CA -0.754 54.290 54.840 0.341 0.000 0.806 216 L CB 1.606 43.863 42.059 0.331 0.000 1.244 216 L HN 0.667 nan 8.230 nan 0.000 0.447 217 E N 1.945 122.242 120.200 0.161 0.000 2.290 217 E HA -0.019 4.350 4.350 0.032 0.000 0.277 217 E C -0.602 176.068 176.600 0.115 0.000 1.035 217 E CA -0.394 56.061 56.400 0.093 0.000 0.873 217 E CB 0.697 30.421 29.700 0.040 0.000 1.029 217 E HN 0.351 nan 8.360 nan 0.000 0.419 218 N N 4.677 123.381 118.700 0.007 0.000 2.402 218 N HA -0.013 4.746 4.740 0.032 0.000 0.252 218 N C -0.404 175.066 175.510 -0.067 0.000 1.118 218 N CA 0.348 53.312 53.050 -0.143 0.000 0.945 218 N CB 0.555 38.787 38.487 -0.425 0.000 1.147 218 N HN 0.459 nan 8.380 nan 0.000 0.495 219 K N 2.203 122.614 120.400 0.017 0.000 2.706 219 K HA 0.185 4.525 4.320 0.032 0.000 0.203 219 K C 0.366 176.975 176.600 0.015 0.000 1.102 219 K CA -0.082 56.203 56.287 -0.004 0.000 1.058 219 K CB -0.200 32.293 32.500 -0.011 0.000 0.779 219 K HN 0.613 nan 8.250 nan 0.000 0.483 220 G N 2.197 111.033 108.800 0.060 0.000 2.198 220 G HA2 -0.291 3.689 3.960 0.032 0.000 0.257 220 G HA3 -0.291 3.689 3.960 0.032 0.000 0.257 220 G C 0.316 175.255 174.900 0.065 0.000 1.042 220 G CA 0.664 45.829 45.100 0.108 0.000 0.791 220 G HN 0.488 nan 8.290 nan 0.000 0.502 221 Q N -1.080 118.712 119.800 -0.014 0.000 2.230 221 Q HA 0.240 4.599 4.340 0.032 0.000 0.202 221 Q C 1.152 176.678 176.000 -0.789 0.000 0.963 221 Q CA 1.172 56.689 55.803 -0.477 0.000 0.866 221 Q CB 0.076 28.337 28.738 -0.796 0.000 0.931 221 Q HN 0.688 nan 8.270 nan 0.000 0.452 222 F N 0.153 120.042 119.950 -0.102 0.000 2.798 222 F HA 0.290 4.836 4.527 0.032 0.000 0.333 222 F C 0.241 176.129 175.800 0.147 0.000 1.324 222 F CA -0.481 57.387 58.000 -0.220 0.000 1.183 222 F CB 0.741 39.342 39.000 -0.664 0.000 1.132 222 F HN -0.074 nan 8.300 nan 0.000 0.521 223 D N -0.355 120.214 120.400 0.281 0.000 2.431 223 D HA 0.162 4.821 4.640 0.032 0.000 0.227 223 D C 1.641 178.084 176.300 0.237 0.000 1.030 223 D CA 0.620 54.776 54.000 0.260 0.000 0.897 223 D CB 0.489 41.396 40.800 0.180 0.000 1.058 223 D HN 0.424 nan 8.370 nan 0.000 0.500 224 G N 0.349 109.290 108.800 0.236 0.000 3.341 224 G HA2 0.293 4.273 3.960 0.032 0.000 0.177 224 G HA3 0.293 4.273 3.960 0.032 0.000 0.177 224 G C -0.596 174.439 174.900 0.225 0.000 1.236 224 G CA -0.474 44.739 45.100 0.187 0.000 0.888 224 G HN -0.101 nan 8.290 nan 0.000 0.644 225 K N 2.251 122.730 120.400 0.131 0.000 2.231 225 K HA 0.168 4.507 4.320 0.032 0.000 0.255 225 K C 0.812 177.445 176.600 0.054 0.000 1.108 225 K CA -0.573 55.738 56.287 0.039 0.000 0.997 225 K CB 0.524 33.022 32.500 -0.004 0.000 1.549 225 K HN 0.675 nan 8.250 nan 0.000 0.419 226 W N 2.811 124.139 121.300 0.048 0.000 2.770 226 W HA 0.090 4.768 4.660 0.030 0.000 0.256 226 W C -0.379 176.160 176.519 0.034 0.000 1.291 226 W CA -0.310 57.043 57.345 0.013 0.000 1.396 226 W CB -0.328 29.132 29.460 -0.000 0.000 1.114 226 W HN 0.170 nan 8.180 nan 0.000 0.637 227 L N 3.297 124.167 121.223 -0.589 0.000 2.281 227 L HA 0.090 4.449 4.340 0.032 0.000 0.285 227 L C 0.413 177.156 176.870 -0.212 0.000 1.074 227 L CA -0.293 54.253 54.840 -0.490 0.000 0.817 227 L CB 0.446 42.067 42.059 -0.729 0.000 1.168 227 L HN -0.271 nan 8.230 nan 0.000 0.434 228 D N 3.925 124.262 120.400 -0.104 0.000 2.368 228 D HA -0.064 4.595 4.640 0.032 0.000 0.268 228 D C 0.876 177.143 176.300 -0.055 0.000 1.298 228 D CA 0.400 54.368 54.000 -0.053 0.000 0.938 228 D CB 0.717 41.505 40.800 -0.019 0.000 1.101 228 D HN 0.522 nan 8.370 nan 0.000 0.509 229 E N 2.370 122.540 120.200 -0.050 0.000 2.516 229 E HA -0.082 4.287 4.350 0.032 0.000 0.199 229 E C 1.143 177.732 176.600 -0.017 0.000 1.069 229 E CA 0.293 56.671 56.400 -0.036 0.000 0.876 229 E CB 0.452 30.131 29.700 -0.034 0.000 0.843 229 E HN 0.280 nan 8.360 nan 0.000 0.530 230 K N 0.772 121.164 120.400 -0.013 0.000 2.361 230 K HA -0.014 4.325 4.320 0.032 0.000 0.196 230 K C 0.308 176.907 176.600 -0.002 0.000 1.039 230 K CA 0.306 56.590 56.287 -0.006 0.000 1.001 230 K CB 0.025 32.522 32.500 -0.005 0.000 0.795 230 K HN 0.027 nan 8.250 nan 0.000 0.495 231 D N 1.595 121.993 120.400 -0.002 0.000 2.336 231 D HA 0.085 4.744 4.640 0.032 0.000 0.249 231 D C -1.905 174.404 176.300 0.015 0.000 1.213 231 D CA -2.369 51.634 54.000 0.006 0.000 0.870 231 D CB 1.532 42.335 40.800 0.006 0.000 1.076 231 D HN -0.167 nan 8.370 nan 0.000 0.483 232 P HA -0.193 nan 4.420 nan 0.000 0.217 232 P C 1.451 178.784 177.300 0.055 0.000 1.151 232 P CA 0.530 63.649 63.100 0.032 0.000 0.849 232 P CB 0.272 31.990 31.700 0.029 0.000 0.787 233 L N -0.485 120.776 121.223 0.064 0.000 1.976 233 L HA -0.200 4.159 4.340 0.032 0.000 0.209 233 L C 2.479 179.407 176.870 0.095 0.000 1.071 233 L CA 1.942 56.846 54.840 0.107 0.000 0.746 233 L CB -1.530 40.602 42.059 0.121 0.000 0.890 233 L HN -0.021 nan 8.230 nan 0.000 0.432 234 Q N -1.217 118.607 119.800 0.041 0.000 2.096 234 Q HA -0.261 4.098 4.340 0.032 0.000 0.204 234 Q C 2.038 178.053 176.000 0.026 0.000 0.982 234 Q CA 1.808 57.608 55.803 -0.006 0.000 0.850 234 Q CB -0.330 28.371 28.738 -0.061 0.000 0.901 234 Q HN 0.541 nan 8.270 nan 0.000 0.422 235 N N 0.323 119.037 118.700 0.023 0.000 2.166 235 N HA -0.155 4.604 4.740 0.032 0.000 0.186 235 N C 1.578 177.118 175.510 0.050 0.000 1.019 235 N CA 1.306 54.368 53.050 0.020 0.000 0.856 235 N CB -0.100 38.396 38.487 0.015 0.000 0.993 235 N HN 0.265 nan 8.380 nan 0.000 0.426 236 A N -0.418 122.457 122.820 0.091 0.000 1.883 236 A HA -0.199 4.140 4.320 0.032 0.000 0.217 236 A C 2.143 179.833 177.584 0.175 0.000 1.186 236 A CA 1.471 53.598 52.037 0.150 0.000 0.624 236 A CB -1.299 17.828 19.000 0.212 0.000 0.822 236 A HN 0.596 nan 8.150 nan 0.000 0.444 237 Y N 0.575 120.835 120.300 -0.067 0.000 2.165 237 Y HA -0.189 4.379 4.550 0.031 0.000 0.286 237 Y C 2.317 178.107 175.900 -0.184 0.000 1.155 237 Y CA 2.054 59.924 58.100 -0.384 0.000 1.164 237 Y CB -0.210 37.940 38.460 -0.518 0.000 0.978 237 Y HN 0.074 nan 8.280 nan 0.000 0.513 238 V N 0.408 120.308 119.914 -0.023 0.000 2.453 238 V HA -0.257 3.882 4.120 0.032 0.000 0.247 238 V C 2.205 178.253 176.094 -0.076 0.000 1.048 238 V CA 1.807 64.073 62.300 -0.056 0.000 1.049 238 V CB -0.617 31.192 31.823 -0.022 0.000 0.672 238 V HN 0.394 nan 8.190 nan 0.000 0.457 239 Q N -0.062 119.718 119.800 -0.034 0.000 2.291 239 Q HA -0.081 4.279 4.340 0.032 0.000 0.206 239 Q C 2.233 178.212 176.000 -0.034 0.000 0.976 239 Q CA 1.706 57.498 55.803 -0.018 0.000 0.875 239 Q CB -0.394 28.350 28.738 0.009 0.000 0.927 239 Q HN 0.687 nan 8.270 nan 0.000 0.450 240 A N 0.144 122.926 122.820 -0.062 0.000 1.924 240 A HA 0.012 4.351 4.320 0.032 0.000 0.211 240 A C 1.398 178.894 177.584 -0.146 0.000 1.198 240 A CA 0.939 52.939 52.037 -0.062 0.000 0.657 240 A CB 0.129 19.170 19.000 0.068 0.000 0.852 240 A HN 0.328 nan 8.150 nan 0.000 0.454 241 N N -1.887 116.630 118.700 -0.306 0.000 2.193 241 N HA 0.405 5.165 4.740 0.032 0.000 0.210 241 N C 0.561 175.997 175.510 -0.123 0.000 1.215 241 N CA 0.851 53.740 53.050 -0.268 0.000 0.901 241 N CB 1.363 39.547 38.487 -0.505 0.000 1.060 241 N HN 0.684 nan 8.380 nan 0.000 0.508 242 G N 0.544 109.282 108.800 -0.102 0.000 2.698 242 G HA2 -0.225 3.754 3.960 0.032 0.000 0.225 242 G HA3 -0.225 3.754 3.960 0.032 0.000 0.225 242 G C -0.889 174.022 174.900 0.017 0.000 1.345 242 G CA -0.750 44.338 45.100 -0.021 0.000 0.871 242 G HN 0.023 nan 8.290 nan 0.000 0.540 243 Q N 0.026 119.834 119.800 0.013 0.000 3.159 243 Q HA 0.411 4.770 4.340 0.032 0.000 0.280 243 Q C 0.402 176.521 176.000 0.199 0.000 1.403 243 Q CA 0.771 56.542 55.803 -0.053 0.000 0.957 243 Q CB -0.150 28.549 28.738 -0.064 0.000 1.729 243 Q HN 1.629 nan 8.270 nan 0.000 0.551 244 V N -0.086 119.987 119.914 0.265 0.000 3.000 244 V HA 0.432 4.572 4.120 0.032 0.000 0.300 244 V C -0.042 176.279 176.094 0.378 0.000 1.251 244 V CA -0.615 61.908 62.300 0.373 0.000 0.972 244 V CB 1.986 33.948 31.823 0.231 0.000 1.065 244 V HN 0.428 nan 8.190 nan 0.000 0.431 245 I N 2.461 123.221 120.570 0.317 0.000 3.565 245 I HA 0.519 4.708 4.170 0.032 0.000 0.287 245 I C 0.463 176.631 176.117 0.085 0.000 1.193 245 I CA 0.520 61.938 61.300 0.196 0.000 1.402 245 I CB 0.359 38.411 38.000 0.086 0.000 1.284 245 I HN 0.886 nan 8.210 nan 0.000 0.454 246 N N -0.819 117.903 118.700 0.036 0.000 3.243 246 N HA 0.195 4.954 4.740 0.032 0.000 0.280 246 N C -0.214 175.308 175.510 0.019 0.000 1.545 246 N CA -0.692 52.363 53.050 0.009 0.000 0.854 246 N CB 0.827 39.289 38.487 -0.042 0.000 1.612 246 N HN -0.160 nan 8.380 nan 0.000 0.577 247 Q N -0.237 119.571 119.800 0.014 0.000 2.369 247 Q HA -0.026 4.333 4.340 0.032 0.000 0.206 247 Q C -0.704 175.318 176.000 0.037 0.000 0.963 247 Q CA 1.501 57.322 55.803 0.030 0.000 0.894 247 Q CB -0.455 28.297 28.738 0.022 0.000 0.965 247 Q HN 0.614 nan 8.270 nan 0.000 0.475 248 D N -0.598 119.808 120.400 0.010 0.000 2.429 248 D HA 0.120 4.779 4.640 0.032 0.000 0.255 248 D C -2.064 174.241 176.300 0.008 0.000 1.257 248 D CA -1.669 52.368 54.000 0.062 0.000 0.890 248 D CB 1.048 41.893 40.800 0.075 0.000 1.267 248 D HN -0.112 nan 8.370 nan 0.000 0.521 249 P HA -0.143 nan 4.420 nan 0.000 0.234 249 P C 0.465 177.453 177.300 -0.520 0.000 1.162 249 P CA 0.693 63.480 63.100 -0.521 0.000 0.759 249 P CB -0.054 31.082 31.700 -0.941 0.000 0.813 250 Y N -2.005 118.325 120.300 0.050 0.000 2.478 250 Y HA 0.121 4.691 4.550 0.034 0.000 0.261 250 Y C 1.620 177.699 175.900 0.298 0.000 1.127 250 Y CA -0.110 58.109 58.100 0.197 0.000 1.288 250 Y CB -0.165 38.395 38.460 0.167 0.000 1.084 250 Y HN 0.063 nan 8.280 nan 0.000 0.530 251 H N 0.413 119.608 119.070 0.207 0.000 2.463 251 H HA 0.302 4.876 4.556 0.031 0.000 0.332 251 H C -1.147 174.222 175.328 0.070 0.000 1.127 251 H CA -0.744 55.363 56.048 0.098 0.000 1.238 251 H CB 0.929 30.654 29.762 -0.061 0.000 1.478 251 H HN 0.154 nan 8.280 nan 0.000 0.499 252 Y N 2.458 122.631 120.300 -0.211 0.000 2.677 252 Y HA 0.551 5.119 4.550 0.030 0.000 0.334 252 Y C -1.911 173.758 175.900 -0.384 0.000 1.154 252 Y CA -1.357 56.636 58.100 -0.179 0.000 1.070 252 Y CB 0.860 39.293 38.460 -0.045 0.000 1.294 252 Y HN 0.408 nan 8.280 nan 0.000 0.475 253 Y N -0.082 120.226 120.300 0.014 0.000 2.598 253 Y HA 0.733 5.303 4.550 0.034 0.000 0.340 253 Y C -0.048 175.835 175.900 -0.029 0.000 1.038 253 Y CA -0.559 57.497 58.100 -0.074 0.000 1.100 253 Y CB 2.657 41.111 38.460 -0.010 0.000 1.281 253 Y HN 0.819 nan 8.280 nan 0.000 0.488 254 T N -0.011 114.611 114.554 0.114 0.000 2.896 254 T HA 0.836 5.205 4.350 0.032 0.000 0.297 254 T C -1.040 173.680 174.700 0.034 0.000 1.108 254 T CA -0.789 61.347 62.100 0.061 0.000 1.004 254 T CB 1.642 70.535 68.868 0.042 0.000 1.159 254 T HN 0.698 nan 8.240 nan 0.000 0.499 255 I N -1.297 119.272 120.570 -0.001 0.000 2.969 255 I HA 0.775 4.964 4.170 0.032 0.000 0.307 255 I C -0.066 176.046 176.117 -0.009 0.000 1.149 255 I CA -1.178 60.115 61.300 -0.012 0.000 1.008 255 I CB 2.447 40.425 38.000 -0.038 0.000 1.232 255 I HN 0.877 nan 8.210 nan 0.000 0.435 256 T N -0.944 113.614 114.554 0.008 0.000 2.904 256 T HA 0.240 4.609 4.350 0.032 0.000 0.290 256 T C 0.752 175.477 174.700 0.042 0.000 1.018 256 T CA -0.146 61.973 62.100 0.033 0.000 1.075 256 T CB 1.562 70.454 68.868 0.040 0.000 0.986 256 T HN 0.917 nan 8.240 nan 0.000 0.523 257 E N 0.906 121.161 120.200 0.092 0.000 2.273 257 E HA -0.173 4.197 4.350 0.032 0.000 0.198 257 E C 1.879 178.538 176.600 0.099 0.000 1.002 257 E CA 1.395 57.878 56.400 0.139 0.000 0.828 257 E CB -0.181 29.642 29.700 0.204 0.000 0.747 257 E HN 0.838 nan 8.360 nan 0.000 0.491 258 S N 0.106 115.851 115.700 0.075 0.000 2.395 258 S HA -0.011 4.478 4.470 0.032 0.000 0.225 258 S C 2.151 176.767 174.600 0.028 0.000 1.027 258 S CA 0.606 58.846 58.200 0.068 0.000 0.965 258 S CB 0.006 63.245 63.200 0.066 0.000 0.812 258 S HN 0.368 nan 8.310 nan 0.000 0.482 259 A N 1.918 124.741 122.820 0.005 0.000 1.930 259 A HA -0.086 4.253 4.320 0.032 0.000 0.217 259 A C 2.167 179.702 177.584 -0.081 0.000 1.175 259 A CA 1.441 53.456 52.037 -0.037 0.000 0.627 259 A CB -0.620 18.357 19.000 -0.037 0.000 0.815 259 A HN 0.556 nan 8.150 nan 0.000 0.443 260 E N -0.207 119.958 120.200 -0.058 0.000 2.077 260 E HA -0.246 4.123 4.350 0.032 0.000 0.193 260 E C 2.166 178.664 176.600 -0.169 0.000 0.989 260 E CA 1.361 57.698 56.400 -0.104 0.000 0.800 260 E CB -0.158 29.531 29.700 -0.019 0.000 0.746 260 E HN 0.767 nan 8.360 nan 0.000 0.452 261 Q N 0.212 119.967 119.800 -0.076 0.000 2.061 261 Q HA -0.238 4.121 4.340 0.032 0.000 0.204 261 Q C 2.121 178.049 176.000 -0.121 0.000 0.984 261 Q CA 1.745 57.499 55.803 -0.082 0.000 0.846 261 Q CB -0.137 28.621 28.738 0.033 0.000 0.902 261 Q HN 0.145 nan 8.270 nan 0.000 0.421 262 E N 1.052 121.200 120.200 -0.086 0.000 2.023 262 E HA -0.170 4.200 4.350 0.032 0.000 0.196 262 E C 1.834 178.302 176.600 -0.219 0.000 1.003 262 E CA 1.215 57.562 56.400 -0.088 0.000 0.809 262 E CB -0.379 29.288 29.700 -0.054 0.000 0.755 262 E HN 0.286 nan 8.360 nan 0.000 0.449 263 L N 0.167 121.206 121.223 -0.307 0.000 2.081 263 L HA -0.221 4.139 4.340 0.032 0.000 0.212 263 L C 2.548 179.157 176.870 -0.434 0.000 1.080 263 L CA 1.279 55.844 54.840 -0.459 0.000 0.754 263 L CB -0.507 41.316 42.059 -0.393 0.000 0.893 263 L HN 0.267 nan 8.230 nan 0.000 0.433 264 I N -0.566 119.713 120.570 -0.485 0.000 2.286 264 I HA -0.266 3.923 4.170 0.032 0.000 0.245 264 I C 2.663 178.646 176.117 -0.222 0.000 1.104 264 I CA 0.988 61.967 61.300 -0.535 0.000 1.397 264 I CB -0.263 37.367 38.000 -0.617 0.000 1.072 264 I HN 0.223 nan 8.210 nan 0.000 0.417 265 K N 1.347 121.646 120.400 -0.168 0.000 2.001 265 K HA -0.253 4.087 4.320 0.032 0.000 0.214 265 K C 2.237 178.833 176.600 -0.008 0.000 1.050 265 K CA 1.995 58.256 56.287 -0.043 0.000 0.934 265 K CB -0.224 32.282 32.500 0.009 0.000 0.718 265 K HN 0.289 nan 8.250 nan 0.000 0.443 266 A N 0.389 123.114 122.820 -0.159 0.000 1.908 266 A HA -0.182 4.158 4.320 0.032 0.000 0.218 266 A C 2.230 179.735 177.584 -0.131 0.000 1.181 266 A CA 2.369 54.170 52.037 -0.394 0.000 0.627 266 A CB -1.130 17.227 19.000 -1.073 0.000 0.818 266 A HN 0.478 nan 8.150 nan 0.000 0.445 267 T N 0.493 115.011 114.554 -0.060 0.000 2.622 267 T HA -0.188 4.181 4.350 0.032 0.000 0.266 267 T C 1.766 176.519 174.700 0.087 0.000 1.047 267 T CA 1.847 63.993 62.100 0.077 0.000 1.159 267 T CB -0.633 68.335 68.868 0.166 0.000 0.863 267 T HN 0.719 nan 8.240 nan 0.000 0.422 268 N N 0.396 119.157 118.700 0.102 0.000 2.104 268 N HA -0.138 4.621 4.740 0.032 0.000 0.190 268 N C 2.053 177.698 175.510 0.226 0.000 1.024 268 N CA 1.124 54.267 53.050 0.155 0.000 0.853 268 N CB -0.089 38.477 38.487 0.131 0.000 1.008 268 N HN 0.513 nan 8.380 nan 0.000 0.424 269 E N 1.248 121.581 120.200 0.221 0.000 2.031 269 E HA -0.141 4.228 4.350 0.032 0.000 0.193 269 E C 2.003 178.661 176.600 0.096 0.000 0.994 269 E CA 0.804 57.365 56.400 0.268 0.000 0.800 269 E CB 0.014 29.912 29.700 0.329 0.000 0.752 269 E HN 0.283 nan 8.360 nan 0.000 0.447 270 L N -0.031 121.221 121.223 0.048 0.000 2.079 270 L HA -0.221 4.139 4.340 0.032 0.000 0.210 270 L C 2.622 179.542 176.870 0.083 0.000 1.081 270 L CA 1.572 56.412 54.840 0.001 0.000 0.752 270 L CB -0.617 41.422 42.059 -0.034 0.000 0.896 270 L HN 0.345 nan 8.230 nan 0.000 0.433 271 H N 0.219 119.277 119.070 -0.020 0.000 2.290 271 H HA -0.190 4.450 4.556 0.141 0.000 0.298 271 H C 2.268 177.726 175.328 0.216 0.000 1.087 271 H CA 1.735 57.813 56.048 0.051 0.000 1.291 271 H CB 0.010 29.823 29.762 0.084 0.000 1.369 271 H HN 0.092 nan 8.280 nan 0.000 0.492 272 L N -0.319 121.075 121.223 0.285 0.000 2.079 272 L HA -0.219 4.141 4.340 0.032 0.000 0.210 272 L C 2.478 179.441 176.870 0.155 0.000 1.081 272 L CA 1.687 56.684 54.840 0.261 0.000 0.752 272 L CB -0.501 41.770 42.059 0.354 0.000 0.896 272 L HN 0.509 nan 8.230 nan 0.000 0.433 273 M N -1.723 117.881 119.600 0.008 0.000 2.066 273 M HA -0.270 4.229 4.480 0.032 0.000 0.259 273 M C 2.277 178.636 176.300 0.099 0.000 1.074 273 M CA 2.026 57.258 55.300 -0.114 0.000 1.114 273 M CB -0.640 31.621 32.600 -0.566 0.000 1.306 273 M HN 0.011 nan 8.290 nan 0.000 0.411 274 Y N 0.681 120.979 120.300 -0.004 0.000 2.102 274 Y HA -0.293 4.291 4.550 0.058 0.000 0.280 274 Y C 2.188 178.118 175.900 0.050 0.000 1.178 274 Y CA 1.780 59.919 58.100 0.066 0.000 1.146 274 Y CB -0.792 37.765 38.460 0.161 0.000 0.968 274 Y HN 0.191 nan 8.280 nan 0.000 0.504 275 L N -1.151 120.186 121.223 0.191 0.000 2.127 275 L HA -0.288 4.071 4.340 0.032 0.000 0.211 275 L C 2.508 179.474 176.870 0.160 0.000 1.089 275 L CA 1.715 56.646 54.840 0.152 0.000 0.757 275 L CB -0.669 41.534 42.059 0.240 0.000 0.899 275 L HN 0.480 nan 8.230 nan 0.000 0.434 276 H N 0.009 119.149 119.070 0.117 0.000 2.363 276 H HA -0.089 4.484 4.556 0.028 0.000 0.301 276 H C 2.160 177.498 175.328 0.016 0.000 1.074 276 H CA 1.097 57.217 56.048 0.119 0.000 1.354 276 H CB 0.459 30.348 29.762 0.212 0.000 1.397 276 H HN 0.315 nan 8.280 nan 0.000 0.516 277 A N 0.118 122.914 122.820 -0.040 0.000 1.969 277 A HA -0.115 4.224 4.320 0.032 0.000 0.218 277 A C 2.488 179.922 177.584 -0.249 0.000 1.169 277 A CA 1.735 53.672 52.037 -0.166 0.000 0.635 277 A CB -0.834 18.119 19.000 -0.079 0.000 0.810 277 A HN 0.461 nan 8.150 nan 0.000 0.445 278 T N -0.388 113.984 114.554 -0.304 0.000 2.701 278 T HA -0.128 4.241 4.350 0.032 0.000 0.263 278 T C 1.720 175.949 174.700 -0.785 0.000 1.040 278 T CA 1.677 63.436 62.100 -0.568 0.000 1.147 278 T CB -0.394 67.995 68.868 -0.798 0.000 0.865 278 T HN 0.663 nan 8.240 nan 0.000 0.426 279 D N 0.521 120.478 120.400 -0.737 0.000 2.116 279 D HA -0.139 4.520 4.640 0.032 0.000 0.193 279 D C 2.121 178.227 176.300 -0.323 0.000 0.998 279 D CA 1.313 55.056 54.000 -0.429 0.000 0.836 279 D CB -0.038 40.825 40.800 0.105 0.000 0.951 279 D HN 0.044 nan 8.370 nan 0.000 0.449 280 K N -0.438 119.759 120.400 -0.338 0.000 2.147 280 K HA -0.025 4.315 4.320 0.032 0.000 0.205 280 K C 2.001 178.437 176.600 -0.272 0.000 1.049 280 K CA 0.481 56.591 56.287 -0.295 0.000 0.936 280 K CB -0.417 31.864 32.500 -0.366 0.000 0.722 280 K HN 0.105 nan 8.250 nan 0.000 0.446 281 V N 0.542 120.260 119.914 -0.326 0.000 2.379 281 V HA -0.137 4.002 4.120 0.032 0.000 0.245 281 V C 1.765 177.616 176.094 -0.405 0.000 1.044 281 V CA 1.320 63.414 62.300 -0.344 0.000 1.036 281 V CB -0.338 31.229 31.823 -0.426 0.000 0.664 281 V HN 0.219 nan 8.190 nan 0.000 0.453 282 L N -0.511 120.444 121.223 -0.448 0.000 2.627 282 L HA 0.064 4.424 4.340 0.032 0.000 0.233 282 L C 1.808 178.527 176.870 -0.253 0.000 1.144 282 L CA 0.784 55.385 54.840 -0.398 0.000 0.892 282 L CB -0.395 41.402 42.059 -0.436 0.000 1.039 282 L HN 0.268 nan 8.230 nan 0.000 0.442 283 K N -0.627 119.642 120.400 -0.219 0.000 2.374 283 K HA 0.099 4.438 4.320 0.032 0.000 0.202 283 K C -0.313 176.210 176.600 -0.129 0.000 1.040 283 K CA 0.011 56.217 56.287 -0.134 0.000 1.085 283 K CB 0.630 33.070 32.500 -0.100 0.000 0.873 283 K HN -0.012 nan 8.250 nan 0.000 0.539 284 D N 0.353 120.650 120.400 -0.172 0.000 2.478 284 D HA 0.075 4.734 4.640 0.032 0.000 0.240 284 D C -0.072 176.118 176.300 -0.183 0.000 1.364 284 D CA -0.272 53.643 54.000 -0.143 0.000 0.987 284 D CB 1.225 41.954 40.800 -0.118 0.000 1.328 284 D HN -0.204 nan 8.370 nan 0.000 0.584 285 D N 1.849 122.160 120.400 -0.150 0.000 2.172 285 D HA -0.178 4.482 4.640 0.032 0.000 0.196 285 D C 1.245 177.476 176.300 -0.116 0.000 0.999 285 D CA 0.938 54.844 54.000 -0.157 0.000 0.856 285 D CB 0.284 41.093 40.800 0.015 0.000 0.934 285 D HN 0.449 nan 8.370 nan 0.000 0.453 286 N N -0.190 118.470 118.700 -0.066 0.000 2.453 286 N HA -0.067 4.692 4.740 0.032 0.000 0.183 286 N C 1.854 177.331 175.510 -0.055 0.000 1.041 286 N CA 0.338 53.365 53.050 -0.038 0.000 0.900 286 N CB 0.106 38.575 38.487 -0.029 0.000 0.961 286 N HN 0.332 nan 8.380 nan 0.000 0.443 287 L N -0.146 121.022 121.223 -0.091 0.000 2.116 287 L HA 0.029 4.388 4.340 0.032 0.000 0.200 287 L C 2.128 178.965 176.870 -0.056 0.000 1.084 287 L CA 0.192 55.001 54.840 -0.051 0.000 0.766 287 L CB -0.614 41.401 42.059 -0.072 0.000 0.930 287 L HN 0.039 nan 8.230 nan 0.000 0.453 288 L N 1.195 122.243 121.223 -0.292 0.000 2.151 288 L HA -0.235 4.124 4.340 0.032 0.000 0.215 288 L C 2.418 179.111 176.870 -0.296 0.000 1.084 288 L CA 2.076 56.593 54.840 -0.538 0.000 0.764 288 L CB -0.763 40.732 42.059 -0.940 0.000 0.891 288 L HN 0.213 nan 8.230 nan 0.000 0.435 289 A N -1.045 121.688 122.820 -0.144 0.000 2.121 289 A HA -0.041 4.299 4.320 0.032 0.000 0.218 289 A C 2.091 179.781 177.584 0.176 0.000 1.154 289 A CA 1.370 53.517 52.037 0.184 0.000 0.679 289 A CB -0.754 18.384 19.000 0.229 0.000 0.795 289 A HN 0.537 nan 8.150 nan 0.000 0.458 290 L N -2.025 119.284 121.223 0.142 0.000 2.552 290 L HA 0.054 4.413 4.340 0.032 0.000 0.227 290 L C 1.445 178.383 176.870 0.114 0.000 1.146 290 L CA 0.230 55.088 54.840 0.029 0.000 0.858 290 L CB -0.252 41.728 42.059 -0.131 0.000 0.969 290 L HN 0.312 nan 8.230 nan 0.000 0.451 291 F N -0.544 119.421 119.950 0.025 0.000 2.743 291 F HA 0.029 4.572 4.527 0.027 0.000 0.297 291 F C 0.725 176.589 175.800 0.106 0.000 1.131 291 F CA -0.199 57.840 58.000 0.066 0.000 1.426 291 F CB -0.110 38.908 39.000 0.030 0.000 1.116 291 F HN 0.058 nan 8.300 nan 0.000 0.583 292 D N 0.900 121.470 120.400 0.285 0.000 2.800 292 D HA -0.197 4.462 4.640 0.032 0.000 0.232 292 D C -0.231 176.206 176.300 0.228 0.000 1.137 292 D CA 0.572 54.701 54.000 0.215 0.000 0.718 292 D CB -1.526 39.365 40.800 0.151 0.000 1.084 292 D HN 0.212 nan 8.370 nan 0.000 0.432 293 I N 0.526 121.265 120.570 0.282 0.000 2.321 293 I HA 0.209 4.399 4.170 0.032 0.000 0.291 293 I C -1.898 174.297 176.117 0.130 0.000 0.998 293 I CA -1.960 59.431 61.300 0.150 0.000 1.227 293 I CB 1.246 39.309 38.000 0.106 0.000 1.368 293 I HN -0.345 nan 8.210 nan 0.000 0.466 294 P HA -0.100 nan 4.420 nan 0.000 0.255 294 P C 0.552 177.686 177.300 -0.276 0.000 1.161 294 P CA 0.396 63.430 63.100 -0.110 0.000 0.768 294 P CB 0.451 32.112 31.700 -0.065 0.000 0.746 295 K N 4.396 124.452 120.400 -0.574 0.000 2.071 295 K HA -0.262 4.077 4.320 0.032 0.000 0.217 295 K C 1.695 177.914 176.600 -0.635 0.000 1.054 295 K CA 1.731 57.287 56.287 -1.219 0.000 0.937 295 K CB -0.743 31.167 32.500 -0.982 0.000 0.719 295 K HN 0.294 nan 8.250 nan 0.000 0.454 296 I N 1.009 121.424 120.570 -0.258 0.000 2.285 296 I HA -0.289 3.900 4.170 0.032 0.000 0.253 296 I C 1.517 177.596 176.117 -0.064 0.000 1.104 296 I CA 1.625 62.875 61.300 -0.084 0.000 1.372 296 I CB -0.095 37.932 38.000 0.045 0.000 1.057 296 I HN 0.263 nan 8.210 nan 0.000 0.431 297 L N -1.705 119.475 121.223 -0.072 0.000 2.492 297 L HA -0.106 4.253 4.340 0.032 0.000 0.223 297 L C 1.986 178.949 176.870 0.156 0.000 1.132 297 L CA 0.004 54.836 54.840 -0.013 0.000 0.850 297 L CB -0.565 41.397 42.059 -0.162 0.000 0.966 297 L HN 0.316 nan 8.230 nan 0.000 0.454 298 W N 1.009 122.235 121.300 -0.122 0.000 2.301 298 W HA -0.153 4.528 4.660 0.035 0.000 0.325 298 W C -0.187 176.286 176.519 -0.076 0.000 1.250 298 W CA 1.026 58.307 57.345 -0.107 0.000 1.261 298 W CB -2.500 26.909 29.460 -0.086 0.000 1.157 298 W HN 0.131 nan 8.180 nan 0.000 0.473 299 P HA -0.175 nan 4.420 nan 0.000 0.217 299 P C 1.523 178.861 177.300 0.064 0.000 1.148 299 P CA 2.267 65.426 63.100 0.099 0.000 0.828 299 P CB -0.175 31.571 31.700 0.077 0.000 0.783 300 R N -1.518 119.015 120.500 0.054 0.000 2.119 300 R HA 0.025 4.384 4.340 0.032 0.000 0.222 300 R C 2.076 178.391 176.300 0.024 0.000 1.088 300 R CA 0.575 56.695 56.100 0.034 0.000 0.984 300 R CB -0.951 29.358 30.300 0.015 0.000 0.884 300 R HN 0.160 nan 8.270 nan 0.000 0.447 301 L N 0.999 122.221 121.223 -0.001 0.000 2.012 301 L HA -0.183 4.176 4.340 0.032 0.000 0.210 301 L C 2.337 179.226 176.870 0.032 0.000 1.073 301 L CA 1.807 56.630 54.840 -0.027 0.000 0.748 301 L CB -0.373 41.613 42.059 -0.121 0.000 0.891 301 L HN 0.002 nan 8.230 nan 0.000 0.431 302 R N -1.215 119.291 120.500 0.011 0.000 2.073 302 R HA -0.123 4.237 4.340 0.032 0.000 0.234 302 R C 2.287 178.643 176.300 0.094 0.000 1.134 302 R CA 1.341 57.468 56.100 0.045 0.000 0.952 302 R CB -0.494 29.815 30.300 0.015 0.000 0.850 302 R HN 0.264 nan 8.270 nan 0.000 0.433 303 L N 0.021 121.288 121.223 0.073 0.000 2.079 303 L HA -0.247 4.112 4.340 0.032 0.000 0.210 303 L C 2.597 179.526 176.870 0.098 0.000 1.081 303 L CA 1.445 56.328 54.840 0.071 0.000 0.752 303 L CB -0.464 41.633 42.059 0.063 0.000 0.896 303 L HN 0.291 nan 8.230 nan 0.000 0.433 304 S N -0.573 115.212 115.700 0.142 0.000 2.356 304 S HA -0.276 4.213 4.470 0.032 0.000 0.223 304 S C 1.875 176.665 174.600 0.315 0.000 1.032 304 S CA 1.201 59.545 58.200 0.240 0.000 1.005 304 S CB -0.498 62.861 63.200 0.265 0.000 0.867 304 S HN 0.609 nan 8.310 nan 0.000 0.449 305 W N 1.767 123.048 121.300 -0.031 0.000 2.342 305 W HA -0.208 4.462 4.660 0.016 0.000 0.297 305 W C 2.284 178.601 176.519 -0.337 0.000 1.213 305 W CA 1.560 58.665 57.345 -0.400 0.000 1.251 305 W CB -0.360 28.889 29.460 -0.352 0.000 1.136 305 W HN 0.537 nan 8.180 nan 0.000 0.526 306 Q N 0.506 120.203 119.800 -0.172 0.000 2.079 306 Q HA -0.191 4.168 4.340 0.032 0.000 0.200 306 Q C 2.243 178.107 176.000 -0.226 0.000 0.974 306 Q CA 1.720 57.368 55.803 -0.258 0.000 0.840 306 Q CB -0.076 28.610 28.738 -0.087 0.000 0.898 306 Q HN 0.328 nan 8.270 nan 0.000 0.430 307 R N -0.558 119.882 120.500 -0.101 0.000 2.074 307 R HA 0.152 4.512 4.340 0.032 0.000 0.218 307 R C 1.389 177.617 176.300 -0.121 0.000 1.137 307 R CA 0.252 56.327 56.100 -0.042 0.000 0.998 307 R CB 0.028 30.372 30.300 0.072 0.000 0.895 307 R HN -0.005 nan 8.270 nan 0.000 0.442 308 R N 1.972 122.451 120.500 -0.035 0.000 2.823 308 R HA 0.089 4.449 4.340 0.032 0.000 0.250 308 R C 1.261 177.475 176.300 -0.143 0.000 1.332 308 R CA 0.046 56.087 56.100 -0.099 0.000 1.259 308 R CB -0.169 30.322 30.300 0.319 0.000 1.225 308 R HN 0.088 nan 8.270 nan 0.000 0.545 309 R N 1.105 121.287 120.500 -0.530 0.000 2.096 309 R HA -0.143 4.216 4.340 0.032 0.000 0.240 309 R C 0.765 176.716 176.300 -0.582 0.000 1.139 309 R CA 1.739 57.323 56.100 -0.859 0.000 0.952 309 R CB -0.146 29.459 30.300 -1.159 0.000 0.854 309 R HN 0.384 nan 8.270 nan 0.000 0.436 310 H N -1.085 117.848 119.070 -0.230 0.000 2.488 310 H HA 0.172 4.742 4.556 0.024 0.000 0.294 310 H C 0.164 175.623 175.328 0.219 0.000 1.088 310 H CA -0.100 55.973 56.048 0.041 0.000 1.086 310 H CB 0.341 30.145 29.762 0.071 0.000 1.569 310 H HN 0.337 nan 8.280 nan 0.000 0.548 311 H N -0.158 119.091 119.070 0.298 0.000 2.549 311 H HA 0.130 4.703 4.556 0.029 0.000 0.279 311 H C 0.904 176.306 175.328 0.123 0.000 1.018 311 H CA -0.263 55.898 56.048 0.189 0.000 1.175 311 H CB 0.487 30.257 29.762 0.013 0.000 1.485 311 H HN 0.311 nan 8.280 nan 0.000 0.543 312 M N 1.354 121.140 119.600 0.310 0.000 2.219 312 M HA 0.007 4.506 4.480 0.032 0.000 0.353 312 M C 0.270 176.660 176.300 0.151 0.000 1.304 312 M CA 0.003 55.413 55.300 0.183 0.000 1.115 312 M CB 0.546 33.301 32.600 0.258 0.000 1.664 312 M HN -0.047 nan 8.290 nan 0.000 0.459 313 I N 2.277 122.890 120.570 0.071 0.000 2.522 313 I HA 0.112 4.302 4.170 0.032 0.000 0.240 313 I C 1.216 177.339 176.117 0.011 0.000 1.078 313 I CA 0.962 62.204 61.300 -0.096 0.000 1.422 313 I CB -0.670 37.123 38.000 -0.344 0.000 1.188 313 I HN 0.672 nan 8.210 nan 0.000 0.442 314 T N -0.168 114.458 114.554 0.120 0.000 2.982 314 T HA 0.683 5.053 4.350 0.032 0.000 0.321 314 T C -0.622 174.265 174.700 0.312 0.000 1.229 314 T CA -0.363 61.883 62.100 0.244 0.000 1.044 314 T CB 1.745 70.798 68.868 0.308 0.000 1.184 314 T HN 0.417 nan 8.240 nan 0.000 0.477 315 G N 1.811 110.842 108.800 0.385 0.000 2.818 315 G HA2 0.780 4.760 3.960 0.032 0.000 0.286 315 G HA3 0.780 4.760 3.960 0.032 0.000 0.286 315 G C -1.555 173.602 174.900 0.427 0.000 1.364 315 G CA -0.896 44.417 45.100 0.355 0.000 0.938 315 G HN 0.789 nan 8.290 nan 0.000 0.490 316 R N -0.352 120.343 120.500 0.324 0.000 2.564 316 R HA 0.583 4.942 4.340 0.032 0.000 0.284 316 R C -0.976 175.384 176.300 0.100 0.000 1.031 316 R CA -0.626 55.537 56.100 0.106 0.000 0.904 316 R CB 1.532 31.811 30.300 -0.034 0.000 1.199 316 R HN 0.474 nan 8.270 nan 0.000 0.443 317 M N 2.812 122.382 119.600 -0.050 0.000 2.363 317 M HA 0.330 4.829 4.480 0.032 0.000 0.343 317 M C -0.988 175.162 176.300 -0.249 0.000 1.165 317 M CA -0.658 54.508 55.300 -0.223 0.000 1.046 317 M CB 1.853 34.191 32.600 -0.436 0.000 1.648 317 M HN 0.501 nan 8.290 nan 0.000 0.452 318 D N 2.815 123.022 120.400 -0.321 0.000 2.344 318 D HA 0.515 5.174 4.640 0.032 0.000 0.239 318 D C -1.222 174.873 176.300 -0.342 0.000 1.064 318 D CA 0.127 54.038 54.000 -0.148 0.000 0.829 318 D CB 1.234 42.061 40.800 0.044 0.000 1.129 318 D HN 0.244 nan 8.370 nan 0.000 0.506 319 F N 0.348 120.206 119.950 -0.153 0.000 2.579 319 F HA 0.391 4.911 4.527 -0.012 0.000 0.324 319 F C 0.184 175.789 175.800 -0.324 0.000 1.058 319 F CA -1.037 56.774 58.000 -0.315 0.000 0.944 319 F CB 1.666 40.525 39.000 -0.236 0.000 1.245 319 F HN 0.193 nan 8.300 nan 0.000 0.477 320 C N 4.404 123.584 119.300 -0.200 0.000 2.322 320 C HA 0.800 5.280 4.460 0.032 0.000 0.324 320 C C -0.566 174.459 174.990 0.060 0.000 1.284 320 C CA -0.619 58.377 59.018 -0.036 0.000 1.606 320 C CB -0.170 27.597 27.740 0.045 0.000 2.251 320 C HN 0.855 nan 8.230 nan 0.000 0.502 321 M N 6.741 126.388 119.600 0.079 0.000 2.393 321 M HA 0.621 5.121 4.480 0.032 0.000 0.299 321 M C -1.653 174.692 176.300 0.074 0.000 1.103 321 M CA 0.075 55.404 55.300 0.047 0.000 0.910 321 M CB 1.704 34.276 32.600 -0.047 0.000 1.659 321 M HN 0.974 nan 8.290 nan 0.000 0.445 322 D N 1.607 122.063 120.400 0.093 0.000 2.871 322 D HA 0.048 4.707 4.640 0.032 0.000 0.330 322 D C -0.051 176.299 176.300 0.083 0.000 1.364 322 D CA -0.219 53.827 54.000 0.076 0.000 0.759 322 D CB 0.085 40.935 40.800 0.083 0.000 1.325 322 D HN 0.648 nan 8.370 nan 0.000 0.452 323 E N 0.092 120.328 120.200 0.060 0.000 2.187 323 E HA -0.229 4.141 4.350 0.032 0.000 0.199 323 E C 1.514 178.164 176.600 0.084 0.000 1.004 323 E CA 1.292 57.725 56.400 0.056 0.000 0.813 323 E CB -0.372 29.348 29.700 0.033 0.000 0.736 323 E HN 0.377 nan 8.360 nan 0.000 0.468 324 R N 0.808 121.377 120.500 0.114 0.000 2.237 324 R HA 0.110 4.469 4.340 0.032 0.000 0.219 324 R C 0.970 177.430 176.300 0.268 0.000 1.080 324 R CA 0.607 56.815 56.100 0.179 0.000 0.995 324 R CB -0.126 30.288 30.300 0.189 0.000 0.875 324 R HN 0.327 nan 8.270 nan 0.000 0.462 325 G N 0.257 109.190 108.800 0.221 0.000 2.352 325 G HA2 -0.097 3.883 3.960 0.032 0.000 0.324 325 G HA3 -0.097 3.883 3.960 0.032 0.000 0.324 325 G C -1.995 173.007 174.900 0.170 0.000 1.249 325 G CA -0.884 44.328 45.100 0.187 0.000 1.053 325 G HN 0.043 nan 8.290 nan 0.000 0.492 326 L N 0.544 121.856 121.223 0.147 0.000 2.325 326 L HA 0.853 5.213 4.340 0.032 0.000 0.281 326 L C -0.593 176.324 176.870 0.079 0.000 1.004 326 L CA -0.899 54.002 54.840 0.101 0.000 0.823 326 L CB 1.442 43.540 42.059 0.065 0.000 1.236 326 L HN 0.565 nan 8.230 nan 0.000 0.415 327 K N 3.737 124.072 120.400 -0.108 0.000 2.371 327 K HA 0.580 4.920 4.320 0.032 0.000 0.251 327 K C -1.449 174.977 176.600 -0.289 0.000 0.934 327 K CA -0.660 55.423 56.287 -0.340 0.000 0.798 327 K CB 2.619 34.532 32.500 -0.977 0.000 1.204 327 K HN 0.348 nan 8.250 nan 0.000 0.427 328 V N 4.574 124.293 119.914 -0.324 0.000 2.384 328 V HA 0.245 4.384 4.120 0.032 0.000 0.287 328 V C -0.044 175.851 176.094 -0.331 0.000 1.020 328 V CA -0.176 61.801 62.300 -0.538 0.000 0.850 328 V CB 0.701 32.190 31.823 -0.556 0.000 0.987 328 V HN 0.660 nan 8.190 nan 0.000 0.436 329 Y N 4.390 124.554 120.300 -0.225 0.000 2.201 329 Y HA 0.214 4.784 4.550 0.033 0.000 0.292 329 Y C 1.275 177.111 175.900 -0.107 0.000 1.119 329 Y CA 0.971 58.990 58.100 -0.135 0.000 1.127 329 Y CB 0.106 38.507 38.460 -0.098 0.000 1.019 329 Y HN 0.781 nan 8.280 nan 0.000 0.514 330 E N -2.179 118.052 120.200 0.051 0.000 2.458 330 E HA 0.263 4.632 4.350 0.032 0.000 0.278 330 E C -1.977 174.611 176.600 -0.021 0.000 1.004 330 E CA -1.013 55.411 56.400 0.041 0.000 0.823 330 E CB 1.654 31.368 29.700 0.023 0.000 1.396 330 E HN -0.070 nan 8.360 nan 0.000 0.463 331 Y N 1.980 122.159 120.300 -0.203 0.000 2.594 331 Y HA 0.378 4.957 4.550 0.049 0.000 0.338 331 Y C -1.342 174.449 175.900 -0.181 0.000 1.019 331 Y CA -1.900 55.992 58.100 -0.348 0.000 1.306 331 Y CB 0.512 38.447 38.460 -0.875 0.000 1.094 331 Y HN 0.480 nan 8.280 nan 0.000 0.534 332 N N 4.656 123.358 118.700 0.003 0.000 2.434 332 N HA 0.174 4.934 4.740 0.032 0.000 0.273 332 N C 0.714 176.089 175.510 -0.226 0.000 1.210 332 N CA 0.607 53.603 53.050 -0.091 0.000 0.992 332 N CB 1.231 39.713 38.487 -0.008 0.000 1.355 332 N HN 0.717 nan 8.380 nan 0.000 0.495 333 A N 0.906 123.451 122.820 -0.458 0.000 2.220 333 A HA -0.022 4.317 4.320 0.032 0.000 0.211 333 A C 1.690 179.137 177.584 -0.228 0.000 1.176 333 A CA 0.164 51.891 52.037 -0.516 0.000 0.834 333 A CB 0.254 18.756 19.000 -0.830 0.000 0.868 333 A HN 0.386 nan 8.150 nan 0.000 0.488 334 D N 0.783 121.104 120.400 -0.132 0.000 2.154 334 D HA -0.016 4.643 4.640 0.032 0.000 0.211 334 D C 0.599 176.884 176.300 -0.024 0.000 0.977 334 D CA 1.758 55.735 54.000 -0.038 0.000 0.869 334 D CB 0.128 40.941 40.800 0.022 0.000 1.022 334 D HN 0.352 nan 8.370 nan 0.000 0.461 335 S N -0.392 115.296 115.700 -0.020 0.000 2.736 335 S HA 0.789 5.279 4.470 0.032 0.000 0.285 335 S C -0.715 173.917 174.600 0.053 0.000 1.163 335 S CA -0.741 57.458 58.200 -0.001 0.000 1.025 335 S CB 1.837 64.994 63.200 -0.071 0.000 1.030 335 S HN 0.338 nan 8.310 nan 0.000 0.486 336 A N 2.494 125.413 122.820 0.164 0.000 2.401 336 A HA 0.950 5.289 4.320 0.032 0.000 0.310 336 A C 0.002 177.739 177.584 0.255 0.000 1.075 336 A CA -0.713 51.454 52.037 0.216 0.000 0.746 336 A CB 1.953 21.150 19.000 0.327 0.000 1.277 336 A HN 0.758 nan 8.150 nan 0.000 0.425 337 S N -1.367 114.417 115.700 0.139 0.000 2.786 337 S HA 0.599 5.088 4.470 0.032 0.000 0.302 337 S C 0.270 175.056 174.600 0.310 0.000 1.080 337 S CA 0.416 58.596 58.200 -0.034 0.000 0.925 337 S CB 0.965 63.974 63.200 -0.317 0.000 1.325 337 S HN 1.565 nan 8.310 nan 0.000 0.576 338 C N 0.910 120.322 119.300 0.187 0.000 5.102 338 C HA -0.118 4.362 4.460 0.032 0.000 0.236 338 C C 1.526 176.598 174.990 0.137 0.000 1.316 338 C CA 0.382 59.539 59.018 0.232 0.000 1.394 338 C CB -2.908 24.999 27.740 0.277 0.000 1.902 338 C HN 0.942 nan 8.230 nan 0.000 0.644 339 H N 0.019 119.042 119.070 -0.078 0.000 2.353 339 H HA -0.125 4.446 4.556 0.025 0.000 0.300 339 H C 1.963 176.791 175.328 -0.834 0.000 1.090 339 H CA 1.980 57.726 56.048 -0.503 0.000 1.327 339 H CB -0.114 29.552 29.762 -0.160 0.000 1.383 339 H HN 0.667 nan 8.280 nan 0.000 0.508 340 T N 0.850 115.009 114.554 -0.659 0.000 2.777 340 T HA -0.104 4.266 4.350 0.032 0.000 0.266 340 T C 1.862 176.322 174.700 -0.400 0.000 1.040 340 T CA 1.177 62.778 62.100 -0.832 0.000 1.141 340 T CB -0.096 68.665 68.868 -0.178 0.000 0.868 340 T HN 0.283 nan 8.240 nan 0.000 0.444 341 E N 1.601 121.700 120.200 -0.170 0.000 2.033 341 E HA -0.065 4.304 4.350 0.032 0.000 0.199 341 E C 2.457 178.986 176.600 -0.118 0.000 1.011 341 E CA 1.501 57.829 56.400 -0.120 0.000 0.815 341 E CB -0.642 29.071 29.700 0.021 0.000 0.755 341 E HN 0.485 nan 8.360 nan 0.000 0.451 342 A N 0.089 122.868 122.820 -0.068 0.000 1.873 342 A HA -0.015 4.325 4.320 0.032 0.000 0.215 342 A C 2.313 179.872 177.584 -0.041 0.000 1.186 342 A CA 1.684 53.715 52.037 -0.011 0.000 0.616 342 A CB -0.943 18.156 19.000 0.166 0.000 0.823 342 A HN 0.337 nan 8.150 nan 0.000 0.442 343 G N -2.029 106.697 108.800 -0.123 0.000 2.985 343 G HA2 0.324 4.303 3.960 0.032 0.000 0.209 343 G HA3 0.324 4.303 3.960 0.032 0.000 0.209 343 G C 0.871 175.820 174.900 0.081 0.000 1.165 343 G CA 1.075 46.176 45.100 0.002 0.000 0.776 343 G HN 0.534 nan 8.290 nan 0.000 0.541 344 L N -1.339 119.880 121.223 -0.006 0.000 2.249 344 L HA 0.405 4.765 4.340 0.032 0.000 0.204 344 L C 1.906 178.771 176.870 -0.008 0.000 1.135 344 L CA 0.367 55.234 54.840 0.046 0.000 1.070 344 L CB -0.404 41.722 42.059 0.111 0.000 2.194 344 L HN -0.063 nan 8.230 nan 0.000 0.504 345 I N 0.858 121.350 120.570 -0.130 0.000 2.226 345 I HA -0.218 3.972 4.170 0.032 0.000 0.245 345 I C 2.525 178.688 176.117 0.076 0.000 1.100 345 I CA 1.637 62.849 61.300 -0.148 0.000 1.374 345 I CB -1.108 36.609 38.000 -0.471 0.000 1.057 345 I HN 0.311 nan 8.210 nan 0.000 0.413 346 L N 0.129 121.374 121.223 0.036 0.000 2.141 346 L HA -0.161 4.198 4.340 0.032 0.000 0.209 346 L C 2.648 179.656 176.870 0.230 0.000 1.094 346 L CA 0.932 55.838 54.840 0.109 0.000 0.763 346 L CB -0.437 41.615 42.059 -0.011 0.000 0.908 346 L HN 0.208 nan 8.230 nan 0.000 0.437 347 E N 0.022 120.319 120.200 0.161 0.000 2.058 347 E HA -0.220 4.150 4.350 0.032 0.000 0.194 347 E C 2.278 179.003 176.600 0.208 0.000 0.997 347 E CA 0.912 57.414 56.400 0.170 0.000 0.801 347 E CB -0.188 29.588 29.700 0.127 0.000 0.746 347 E HN 0.184 nan 8.360 nan 0.000 0.450 348 R N 0.014 120.652 120.500 0.230 0.000 2.081 348 R HA -0.161 4.198 4.340 0.032 0.000 0.235 348 R C 2.066 178.619 176.300 0.423 0.000 1.131 348 R CA 1.371 57.651 56.100 0.299 0.000 0.960 348 R CB -1.147 29.339 30.300 0.310 0.000 0.856 348 R HN 0.296 nan 8.270 nan 0.000 0.436 349 W N 0.931 122.401 121.300 0.282 0.000 2.317 349 W HA -0.281 4.399 4.660 0.034 0.000 0.318 349 W C 2.108 178.695 176.519 0.113 0.000 1.227 349 W CA 2.888 60.309 57.345 0.126 0.000 1.269 349 W CB -0.622 28.792 29.460 -0.076 0.000 1.155 349 W HN 0.184 nan 8.180 nan 0.000 0.484 350 A N 0.257 123.210 122.820 0.222 0.000 1.835 350 A HA -0.305 4.034 4.320 0.032 0.000 0.215 350 A C 2.026 179.584 177.584 -0.043 0.000 1.199 350 A CA 1.972 54.003 52.037 -0.009 0.000 0.615 350 A CB -1.600 17.520 19.000 0.200 0.000 0.838 350 A HN 0.495 nan 8.150 nan 0.000 0.444 351 E N -0.891 119.340 120.200 0.052 0.000 2.339 351 E HA -0.322 4.048 4.350 0.032 0.000 0.201 351 E C 1.903 178.474 176.600 -0.049 0.000 1.015 351 E CA 1.767 58.180 56.400 0.022 0.000 0.841 351 E CB -0.026 29.712 29.700 0.062 0.000 0.754 351 E HN 0.673 nan 8.360 nan 0.000 0.508 352 Q N -1.126 118.612 119.800 -0.104 0.000 2.390 352 Q HA 0.098 4.457 4.340 0.032 0.000 0.216 352 Q C 1.553 177.263 176.000 -0.483 0.000 0.916 352 Q CA 1.348 57.009 55.803 -0.237 0.000 0.911 352 Q CB 0.481 29.117 28.738 -0.170 0.000 1.035 352 Q HN 0.202 nan 8.270 nan 0.000 0.541 353 G N -1.316 107.143 108.800 -0.569 0.000 3.342 353 G HA2 0.100 4.079 3.960 0.032 0.000 0.252 353 G HA3 0.100 4.079 3.960 0.032 0.000 0.252 353 G C -0.887 173.751 174.900 -0.437 0.000 1.011 353 G CA -0.216 44.534 45.100 -0.584 0.000 0.869 353 G HN 0.238 nan 8.290 nan 0.000 0.514 354 Y N 1.299 121.256 120.300 -0.572 0.000 2.446 354 Y HA 0.506 5.077 4.550 0.035 0.000 0.338 354 Y C 0.284 176.039 175.900 -0.242 0.000 1.055 354 Y CA -0.975 56.850 58.100 -0.458 0.000 1.101 354 Y CB 1.764 39.906 38.460 -0.530 0.000 1.221 354 Y HN 0.023 nan 8.280 nan 0.000 0.460 355 K N 1.961 121.835 120.400 -0.877 0.000 2.586 355 K HA 0.346 4.685 4.320 0.032 0.000 0.198 355 K C 0.234 176.406 176.600 -0.714 0.000 1.170 355 K CA 0.097 56.026 56.287 -0.596 0.000 1.069 355 K CB 0.398 32.702 32.500 -0.326 0.000 0.944 355 K HN 0.628 nan 8.250 nan 0.000 0.572 356 G N 0.910 108.839 108.800 -1.453 0.000 2.489 356 G HA2 0.058 4.037 3.960 0.032 0.000 0.271 356 G HA3 0.058 4.037 3.960 0.032 0.000 0.271 356 G C 0.065 174.844 174.900 -0.201 0.000 1.427 356 G CA -0.512 44.173 45.100 -0.692 0.000 1.057 356 G HN 0.265 nan 8.290 nan 0.000 0.532 357 N N -0.862 117.899 118.700 0.101 0.000 2.388 357 N HA 0.161 4.920 4.740 0.032 0.000 0.176 357 N C 1.446 177.157 175.510 0.336 0.000 1.062 357 N CA 0.187 53.340 53.050 0.172 0.000 0.895 357 N CB 0.394 38.958 38.487 0.129 0.000 1.018 357 N HN 0.539 nan 8.380 nan 0.000 0.456 358 G N 0.527 109.604 108.800 0.462 0.000 2.647 358 G HA2 0.313 4.293 3.960 0.032 0.000 0.271 358 G HA3 0.313 4.293 3.960 0.032 0.000 0.271 358 G C -0.365 174.844 174.900 0.514 0.000 1.300 358 G CA -0.073 45.286 45.100 0.431 0.000 0.997 358 G HN 0.225 nan 8.290 nan 0.000 0.533 359 F N -2.978 117.051 119.950 0.132 0.000 2.715 359 F HA 0.568 5.110 4.527 0.025 0.000 0.318 359 F C -0.749 175.092 175.800 0.070 0.000 1.141 359 F CA -2.087 55.979 58.000 0.111 0.000 0.950 359 F CB 1.181 40.247 39.000 0.109 0.000 1.374 359 F HN 0.339 nan 8.300 nan 0.000 0.477 360 N N 2.799 121.626 118.700 0.210 0.000 2.420 360 N HA 0.355 5.115 4.740 0.032 0.000 0.249 360 N C -1.805 173.799 175.510 0.157 0.000 1.033 360 N CA -2.715 50.393 53.050 0.096 0.000 0.944 360 N CB 1.086 39.657 38.487 0.141 0.000 1.113 360 N HN 0.397 nan 8.380 nan 0.000 0.502 361 P HA -0.058 nan 4.420 nan 0.000 0.228 361 P C 0.208 177.615 177.300 0.178 0.000 1.151 361 P CA 0.723 63.897 63.100 0.123 0.000 0.770 361 P CB 0.339 32.062 31.700 0.038 0.000 0.786 362 A N 0.032 122.929 122.820 0.128 0.000 2.390 362 A HA 0.063 4.403 4.320 0.032 0.000 0.232 362 A C 2.063 179.700 177.584 0.089 0.000 1.233 362 A CA -0.102 51.991 52.037 0.094 0.000 0.907 362 A CB -0.582 18.471 19.000 0.089 0.000 0.967 362 A HN 0.225 nan 8.150 nan 0.000 0.512 363 E N -0.019 120.260 120.200 0.132 0.000 2.136 363 E HA -0.221 4.149 4.350 0.032 0.000 0.202 363 E C 1.464 178.122 176.600 0.096 0.000 1.019 363 E CA 1.613 58.087 56.400 0.124 0.000 0.819 363 E CB -0.604 29.189 29.700 0.154 0.000 0.739 363 E HN 0.376 nan 8.360 nan 0.000 0.458 364 G N 0.768 109.617 108.800 0.082 0.000 3.141 364 G HA2 0.113 4.092 3.960 0.032 0.000 0.218 364 G HA3 0.113 4.092 3.960 0.032 0.000 0.218 364 G C 1.355 176.279 174.900 0.041 0.000 1.170 364 G CA -0.240 44.894 45.100 0.057 0.000 0.769 364 G HN 0.117 nan 8.290 nan 0.000 0.546 365 L N 0.273 121.524 121.223 0.045 0.000 2.011 365 L HA -0.239 4.121 4.340 0.032 0.000 0.225 365 L C 2.754 179.647 176.870 0.038 0.000 1.084 365 L CA 1.281 56.146 54.840 0.043 0.000 0.791 365 L CB -0.302 41.798 42.059 0.069 0.000 0.898 365 L HN 0.176 nan 8.230 nan 0.000 0.440 366 I N -0.067 120.517 120.570 0.023 0.000 2.194 366 I HA -0.317 3.872 4.170 0.032 0.000 0.246 366 I C 2.320 178.388 176.117 -0.082 0.000 1.093 366 I CA 1.622 62.828 61.300 -0.157 0.000 1.355 366 I CB -1.247 36.627 38.000 -0.210 0.000 1.046 366 I HN 0.448 nan 8.210 nan 0.000 0.413 367 N N 0.489 119.175 118.700 -0.024 0.000 2.142 367 N HA -0.194 4.566 4.740 0.032 0.000 0.186 367 N C 1.800 177.321 175.510 0.018 0.000 1.023 367 N CA 1.064 54.112 53.050 -0.002 0.000 0.852 367 N CB -0.171 38.323 38.487 0.012 0.000 0.998 367 N HN 0.329 nan 8.380 nan 0.000 0.424 368 E N 0.500 120.710 120.200 0.017 0.000 2.274 368 E HA -0.001 4.369 4.350 0.032 0.000 0.194 368 E C 1.718 178.330 176.600 0.021 0.000 0.996 368 E CA 0.102 56.515 56.400 0.022 0.000 0.840 368 E CB -0.049 29.656 29.700 0.008 0.000 0.772 368 E HN 0.093 nan 8.360 nan 0.000 0.491 369 L N 0.025 121.254 121.223 0.010 0.000 2.005 369 L HA -0.066 4.293 4.340 0.032 0.000 0.207 369 L C 2.126 179.057 176.870 0.101 0.000 1.072 369 L CA 2.003 56.847 54.840 0.007 0.000 0.744 369 L CB -0.972 41.067 42.059 -0.033 0.000 0.895 369 L HN 0.171 nan 8.230 nan 0.000 0.433 370 A N -0.858 122.024 122.820 0.104 0.000 1.978 370 A HA -0.113 4.226 4.320 0.032 0.000 0.220 370 A C 2.306 180.006 177.584 0.194 0.000 1.170 370 A CA 1.636 53.770 52.037 0.160 0.000 0.636 370 A CB -1.422 17.613 19.000 0.058 0.000 0.810 370 A HN 0.498 nan 8.150 nan 0.000 0.448 371 G N -0.324 108.560 108.800 0.140 0.000 2.604 371 G HA2 -0.047 3.932 3.960 0.032 0.000 0.216 371 G HA3 -0.047 3.932 3.960 0.032 0.000 0.216 371 G C 1.815 176.856 174.900 0.235 0.000 1.265 371 G CA 1.717 46.928 45.100 0.184 0.000 0.804 371 G HN 0.933 nan 8.290 nan 0.000 0.579 372 A N -0.324 122.562 122.820 0.109 0.000 2.042 372 A HA -0.126 4.213 4.320 0.032 0.000 0.222 372 A C 2.213 179.817 177.584 0.034 0.000 1.167 372 A CA 1.696 53.760 52.037 0.045 0.000 0.649 372 A CB -0.667 18.273 19.000 -0.100 0.000 0.809 372 A HN 0.616 nan 8.150 nan 0.000 0.457 373 W N -0.560 120.771 121.300 0.051 0.000 2.408 373 W HA -0.052 4.642 4.660 0.057 0.000 0.311 373 W C 2.355 178.965 176.519 0.150 0.000 1.190 373 W CA 1.166 58.496 57.345 -0.025 0.000 1.321 373 W CB -0.052 29.326 29.460 -0.137 0.000 1.143 373 W HN 0.264 nan 8.180 nan 0.000 0.501 374 K N 0.054 120.690 120.400 0.393 0.000 2.160 374 K HA -0.235 4.104 4.320 0.032 0.000 0.206 374 K C 1.108 177.708 176.600 -0.000 0.000 1.047 374 K CA 1.800 58.180 56.287 0.155 0.000 0.930 374 K CB -0.449 32.033 32.500 -0.029 0.000 0.720 374 K HN 0.260 nan 8.250 nan 0.000 0.450 375 H N -0.742 118.426 119.070 0.165 0.000 2.529 375 H HA 0.215 4.792 4.556 0.035 0.000 0.277 375 H C -0.153 175.243 175.328 0.114 0.000 1.004 375 H CA 0.224 56.325 56.048 0.088 0.000 1.167 375 H CB 0.384 30.181 29.762 0.058 0.000 1.445 375 H HN 0.176 nan 8.280 nan 0.000 0.554 376 S N 0.086 115.946 115.700 0.266 0.000 2.617 376 S HA 0.208 4.698 4.470 0.032 0.000 0.269 376 S C 0.907 175.623 174.600 0.193 0.000 1.292 376 S CA -0.950 57.400 58.200 0.251 0.000 1.010 376 S CB 1.526 64.890 63.200 0.273 0.000 0.944 376 S HN 0.301 nan 8.310 nan 0.000 0.536 377 R N 0.959 121.489 120.500 0.049 0.000 3.298 377 R HA 0.208 4.567 4.340 0.032 0.000 0.249 377 R C 0.536 176.934 176.300 0.163 0.000 1.563 377 R CA 0.018 56.151 56.100 0.054 0.000 1.378 377 R CB -0.984 29.278 30.300 -0.064 0.000 1.250 377 R HN 0.767 nan 8.270 nan 0.000 0.580 378 A N 1.266 124.236 122.820 0.249 0.000 2.445 378 A HA 0.198 4.537 4.320 0.032 0.000 0.242 378 A C 0.365 178.118 177.584 0.283 0.000 1.075 378 A CA -0.213 51.955 52.037 0.220 0.000 0.777 378 A CB 0.391 19.333 19.000 -0.096 0.000 1.013 378 A HN 0.291 nan 8.150 nan 0.000 0.493 379 R N 1.829 122.465 120.500 0.226 0.000 2.560 379 R HA 0.320 4.680 4.340 0.032 0.000 0.270 379 R C -1.262 175.224 176.300 0.310 0.000 1.074 379 R CA -1.227 55.014 56.100 0.236 0.000 1.140 379 R CB 0.396 30.818 30.300 0.204 0.000 1.073 379 R HN 0.571 nan 8.270 nan 0.000 0.527 380 P HA -0.233 nan 4.420 nan 0.000 0.216 380 P C -0.083 177.369 177.300 0.253 0.000 1.157 380 P CA 1.525 64.749 63.100 0.208 0.000 0.880 380 P CB 0.068 31.840 31.700 0.120 0.000 0.791 381 F N 0.790 120.805 119.950 0.108 0.000 2.388 381 F HA 0.372 4.920 4.527 0.034 0.000 0.358 381 F C -0.587 175.235 175.800 0.036 0.000 1.122 381 F CA -0.942 57.087 58.000 0.048 0.000 1.056 381 F CB 1.134 40.149 39.000 0.025 0.000 1.155 381 F HN -0.375 nan 8.300 nan 0.000 0.461 382 V N 5.337 125.026 119.914 -0.376 0.000 2.384 382 V HA 0.267 4.407 4.120 0.032 0.000 0.287 382 V C -0.664 175.281 176.094 -0.249 0.000 1.020 382 V CA -0.865 61.308 62.300 -0.211 0.000 0.850 382 V CB 1.103 32.660 31.823 -0.443 0.000 0.987 382 V HN 0.602 nan 8.190 nan 0.000 0.436 383 H N 3.915 123.004 119.070 0.033 0.000 2.690 383 H HA 0.511 5.086 4.556 0.031 0.000 0.314 383 H C -0.066 175.283 175.328 0.034 0.000 1.069 383 H CA -0.097 55.995 56.048 0.073 0.000 1.436 383 H CB 0.843 30.691 29.762 0.144 0.000 1.462 383 H HN 0.544 nan 8.280 nan 0.000 0.511 384 I N 4.162 124.786 120.570 0.090 0.000 2.365 384 I HA 0.175 4.365 4.170 0.032 0.000 0.291 384 I C -0.028 176.162 176.117 0.122 0.000 1.004 384 I CA -0.073 61.307 61.300 0.134 0.000 1.311 384 I CB 0.705 38.753 38.000 0.079 0.000 1.401 384 I HN 0.458 nan 8.210 nan 0.000 0.491 385 M N 7.394 127.044 119.600 0.083 0.000 2.043 385 M HA 0.316 4.815 4.480 0.032 0.000 0.322 385 M C -0.540 175.728 176.300 -0.054 0.000 0.962 385 M CA -0.534 54.819 55.300 0.090 0.000 0.927 385 M CB 1.517 34.216 32.600 0.166 0.000 1.466 385 M HN 0.571 nan 8.290 nan 0.000 0.412 386 Q N 0.876 120.613 119.800 -0.105 0.000 2.418 386 Q HA 0.652 5.012 4.340 0.032 0.000 0.276 386 Q C -1.394 174.307 176.000 -0.498 0.000 1.081 386 Q CA -1.017 54.557 55.803 -0.382 0.000 0.864 386 Q CB 2.001 30.601 28.738 -0.229 0.000 1.384 386 Q HN 0.455 nan 8.270 nan 0.000 0.467 387 D N -0.233 119.677 120.400 -0.818 0.000 2.229 387 D HA 0.174 4.833 4.640 0.032 0.000 0.249 387 D C -0.908 175.203 176.300 -0.316 0.000 1.027 387 D CA -0.596 52.947 54.000 -0.762 0.000 0.923 387 D CB 1.231 41.321 40.800 -1.182 0.000 1.174 387 D HN 0.429 nan 8.370 nan 0.000 0.443 388 K N 2.527 122.840 120.400 -0.146 0.000 2.054 388 K HA 0.164 4.503 4.320 0.032 0.000 0.242 388 K C -0.811 175.727 176.600 -0.102 0.000 1.157 388 K CA -0.024 56.211 56.287 -0.087 0.000 1.079 388 K CB 0.034 32.518 32.500 -0.025 0.000 1.331 388 K HN 0.297 nan 8.250 nan 0.000 0.317 389 D N 2.331 122.649 120.400 -0.137 0.000 2.620 389 D HA 0.080 4.739 4.640 0.032 0.000 0.252 389 D C 0.726 176.957 176.300 -0.116 0.000 1.207 389 D CA -0.425 53.498 54.000 -0.128 0.000 0.884 389 D CB 1.582 42.279 40.800 -0.172 0.000 1.262 389 D HN 0.301 nan 8.370 nan 0.000 0.552 390 I N 2.119 122.642 120.570 -0.077 0.000 2.800 390 I HA -0.250 3.940 4.170 0.032 0.000 0.266 390 I C 1.908 177.981 176.117 -0.074 0.000 1.249 390 I CA 1.383 62.651 61.300 -0.054 0.000 1.458 390 I CB 0.219 38.202 38.000 -0.028 0.000 1.093 390 I HN 0.417 nan 8.210 nan 0.000 0.466 391 E N -0.376 119.745 120.200 -0.133 0.000 2.340 391 E HA -0.148 4.221 4.350 0.032 0.000 0.194 391 E C 1.546 177.836 176.600 -0.518 0.000 0.996 391 E CA 0.309 56.574 56.400 -0.225 0.000 0.869 391 E CB -0.194 29.421 29.700 -0.141 0.000 0.835 391 E HN 0.570 nan 8.360 nan 0.000 0.493 392 E N 0.682 120.674 120.200 -0.346 0.000 2.371 392 E HA -0.032 4.337 4.350 0.032 0.000 0.194 392 E C 1.356 177.795 176.600 -0.269 0.000 1.012 392 E CA 0.174 56.382 56.400 -0.321 0.000 0.860 392 E CB 0.132 29.680 29.700 -0.252 0.000 0.811 392 E HN 0.207 nan 8.360 nan 0.000 0.502 393 N N 0.770 119.338 118.700 -0.220 0.000 2.060 393 N HA -0.235 4.524 4.740 0.032 0.000 0.195 393 N C 1.691 177.205 175.510 0.006 0.000 1.028 393 N CA 1.618 54.621 53.050 -0.079 0.000 0.861 393 N CB -0.549 37.931 38.487 -0.013 0.000 1.029 393 N HN 0.454 nan 8.380 nan 0.000 0.428 394 Y N -1.677 118.676 120.300 0.087 0.000 2.516 394 Y HA 0.154 4.722 4.550 0.029 0.000 0.291 394 Y C 2.229 178.247 175.900 0.197 0.000 1.131 394 Y CA 0.797 58.977 58.100 0.133 0.000 1.281 394 Y CB -0.912 37.642 38.460 0.157 0.000 1.013 394 Y HN 0.159 nan 8.280 nan 0.000 0.554 395 H N 0.720 119.742 119.070 -0.080 0.000 2.512 395 H HA 0.252 4.824 4.556 0.027 0.000 0.279 395 H C 1.979 177.415 175.328 0.180 0.000 0.999 395 H CA 0.625 56.725 56.048 0.087 0.000 1.283 395 H CB 0.009 29.746 29.762 -0.043 0.000 1.421 395 H HN 0.381 nan 8.280 nan 0.000 0.554 396 A N 0.183 123.035 122.820 0.052 0.000 1.861 396 A HA -0.066 4.273 4.320 0.032 0.000 0.212 396 A C 2.211 179.755 177.584 -0.067 0.000 1.199 396 A CA 1.041 53.113 52.037 0.059 0.000 0.613 396 A CB -0.333 18.701 19.000 0.056 0.000 0.846 396 A HN 0.534 nan 8.150 nan 0.000 0.446 397 Q N -1.615 118.184 119.800 -0.000 0.000 2.170 397 Q HA -0.149 4.210 4.340 0.032 0.000 0.203 397 Q C 1.833 177.809 176.000 -0.041 0.000 0.976 397 Q CA 1.536 57.322 55.803 -0.029 0.000 0.858 397 Q CB -0.286 28.483 28.738 0.051 0.000 0.907 397 Q HN 0.728 nan 8.270 nan 0.000 0.433 398 F N 0.873 120.767 119.950 -0.093 0.000 2.113 398 F HA -0.192 4.349 4.527 0.023 0.000 0.297 398 F C 2.155 177.807 175.800 -0.247 0.000 1.103 398 F CA 1.261 59.205 58.000 -0.094 0.000 1.248 398 F CB -0.054 38.960 39.000 0.024 0.000 0.999 398 F HN 0.027 nan 8.300 nan 0.000 0.475 399 M N 0.732 120.132 119.600 -0.334 0.000 2.296 399 M HA -0.121 4.379 4.480 0.032 0.000 0.265 399 M C 2.058 177.934 176.300 -0.708 0.000 1.064 399 M CA 1.491 56.377 55.300 -0.690 0.000 1.109 399 M CB -0.792 31.010 32.600 -1.330 0.000 1.396 399 M HN 0.355 nan 8.290 nan 0.000 0.430 400 E N -0.931 118.921 120.200 -0.580 0.000 2.106 400 E HA -0.211 4.158 4.350 0.032 0.000 0.192 400 E C 1.878 178.017 176.600 -0.768 0.000 0.984 400 E CA 0.895 56.873 56.400 -0.703 0.000 0.806 400 E CB 0.100 29.460 29.700 -0.566 0.000 0.750 400 E HN 0.499 nan 8.360 nan 0.000 0.458 401 Q N -0.042 119.449 119.800 -0.514 0.000 2.084 401 Q HA -0.143 4.217 4.340 0.032 0.000 0.202 401 Q C 2.102 177.901 176.000 -0.336 0.000 0.978 401 Q CA 1.437 57.026 55.803 -0.356 0.000 0.844 401 Q CB -0.403 28.150 28.738 -0.307 0.000 0.898 401 Q HN 0.332 nan 8.270 nan 0.000 0.426 402 A N 0.657 123.222 122.820 -0.426 0.000 1.902 402 A HA -0.144 4.195 4.320 0.032 0.000 0.217 402 A C 2.295 179.711 177.584 -0.281 0.000 1.181 402 A CA 1.084 52.953 52.037 -0.280 0.000 0.623 402 A CB -0.744 18.131 19.000 -0.209 0.000 0.818 402 A HN 0.313 nan 8.150 nan 0.000 0.443 403 L N -1.459 119.411 121.223 -0.588 0.000 2.012 403 L HA -0.247 4.112 4.340 0.032 0.000 0.210 403 L C 2.581 179.368 176.870 -0.138 0.000 1.073 403 L CA 1.876 56.314 54.840 -0.670 0.000 0.748 403 L CB -0.723 40.736 42.059 -0.999 0.000 0.891 403 L HN 0.555 nan 8.230 nan 0.000 0.431 404 H N -1.386 117.531 119.070 -0.255 0.000 2.387 404 H HA -0.248 4.328 4.556 0.034 0.000 0.299 404 H C 2.282 177.525 175.328 -0.142 0.000 1.099 404 H CA 1.333 57.270 56.048 -0.184 0.000 1.315 404 H CB 0.188 29.838 29.762 -0.187 0.000 1.380 404 H HN 0.406 nan 8.280 nan 0.000 0.513 405 Q N 0.691 120.490 119.800 -0.003 0.000 2.172 405 Q HA -0.032 4.327 4.340 0.032 0.000 0.200 405 Q C 2.086 178.073 176.000 -0.023 0.000 0.964 405 Q CA 0.859 56.644 55.803 -0.029 0.000 0.855 405 Q CB 0.122 28.833 28.738 -0.045 0.000 0.918 405 Q HN 0.424 nan 8.270 nan 0.000 0.444 406 A N -0.103 122.733 122.820 0.026 0.000 2.238 406 A HA 0.313 4.652 4.320 0.032 0.000 0.208 406 A C 1.142 178.615 177.584 -0.186 0.000 1.177 406 A CA 0.671 52.745 52.037 0.061 0.000 0.804 406 A CB -0.334 18.877 19.000 0.352 0.000 0.823 406 A HN 0.573 nan 8.150 nan 0.000 0.482 407 G N -1.381 107.301 108.800 -0.198 0.000 2.414 407 G HA2 -0.179 3.800 3.960 0.032 0.000 0.256 407 G HA3 -0.179 3.800 3.960 0.032 0.000 0.256 407 G C -0.341 174.190 174.900 -0.614 0.000 1.128 407 G CA -0.049 44.832 45.100 -0.364 0.000 0.944 407 G HN 0.296 nan 8.290 nan 0.000 0.500 408 F N -0.444 119.396 119.950 -0.183 0.000 2.598 408 F HA 0.683 5.230 4.527 0.033 0.000 0.327 408 F C 0.613 176.280 175.800 -0.222 0.000 1.057 408 F CA -0.986 56.872 58.000 -0.236 0.000 0.957 408 F CB 1.554 40.319 39.000 -0.392 0.000 1.278 408 F HN 0.097 nan 8.300 nan 0.000 0.484 409 E N 0.393 120.519 120.200 -0.124 0.000 2.179 409 E HA 0.536 4.905 4.350 0.032 0.000 0.275 409 E C -0.862 175.204 176.600 -0.889 0.000 0.945 409 E CA -0.666 55.528 56.400 -0.344 0.000 0.792 409 E CB 1.955 31.578 29.700 -0.128 0.000 1.125 409 E HN 0.648 nan 8.360 nan 0.000 0.397 410 T N 0.369 114.517 114.554 -0.678 0.000 2.887 410 T HA 0.642 5.011 4.350 0.032 0.000 0.292 410 T C -0.615 173.798 174.700 -0.478 0.000 1.087 410 T CA -1.125 60.520 62.100 -0.758 0.000 1.009 410 T CB 1.930 70.527 68.868 -0.453 0.000 1.203 410 T HN 0.405 nan 8.240 nan 0.000 0.518 411 R N 1.286 121.587 120.500 -0.332 0.000 2.542 411 R HA 0.434 4.793 4.340 0.032 0.000 0.284 411 R C -1.356 174.921 176.300 -0.038 0.000 1.167 411 R CA -0.647 55.417 56.100 -0.060 0.000 1.000 411 R CB 1.250 31.612 30.300 0.103 0.000 1.229 411 R HN 0.795 nan 8.270 nan 0.000 0.416 412 I N 5.286 125.849 120.570 -0.012 0.000 2.575 412 I HA 0.187 4.376 4.170 0.032 0.000 0.285 412 I C 0.036 176.186 176.117 0.056 0.000 1.085 412 I CA -0.362 60.946 61.300 0.013 0.000 1.403 412 I CB 0.981 38.979 38.000 -0.004 0.000 1.409 412 I HN 0.411 nan 8.210 nan 0.000 0.557 413 L N 7.047 128.316 121.223 0.076 0.000 2.316 413 L HA 0.438 4.797 4.340 0.032 0.000 0.280 413 L C -0.213 176.696 176.870 0.065 0.000 1.006 413 L CA -0.648 54.244 54.840 0.087 0.000 0.836 413 L CB 0.975 43.107 42.059 0.122 0.000 1.221 413 L HN 0.519 nan 8.230 nan 0.000 0.418 414 R N 3.369 123.895 120.500 0.044 0.000 2.230 414 R HA 0.553 4.913 4.340 0.032 0.000 0.337 414 R C 0.486 176.823 176.300 0.061 0.000 1.063 414 R CA -0.036 56.078 56.100 0.023 0.000 0.935 414 R CB 1.217 31.518 30.300 0.001 0.000 1.121 414 R HN 0.904 nan 8.270 nan 0.000 0.486 415 G N 1.468 110.349 108.800 0.136 0.000 2.615 415 G HA2 -0.267 3.712 3.960 0.032 0.000 0.218 415 G HA3 -0.267 3.712 3.960 0.032 0.000 0.218 415 G C 0.100 175.094 174.900 0.157 0.000 1.339 415 G CA -0.643 44.581 45.100 0.206 0.000 0.884 415 G HN 0.498 nan 8.290 nan 0.000 0.559 416 L N -0.029 121.233 121.223 0.064 0.000 2.966 416 L HA 0.283 4.642 4.340 0.032 0.000 0.262 416 L C 1.583 178.414 176.870 -0.065 0.000 1.165 416 L CA 0.142 54.963 54.840 -0.032 0.000 0.978 416 L CB 0.497 42.490 42.059 -0.110 0.000 1.337 416 L HN 0.438 nan 8.230 nan 0.000 0.563 417 D N 1.193 121.575 120.400 -0.030 0.000 2.182 417 D HA -0.246 4.414 4.640 0.032 0.000 0.201 417 D C 1.872 178.142 176.300 -0.051 0.000 0.986 417 D CA 1.278 55.255 54.000 -0.039 0.000 0.847 417 D CB 0.216 41.008 40.800 -0.014 0.000 0.942 417 D HN 0.444 nan 8.370 nan 0.000 0.467 418 E N -0.243 119.933 120.200 -0.040 0.000 2.347 418 E HA -0.107 4.263 4.350 0.032 0.000 0.196 418 E C 0.182 176.730 176.600 -0.087 0.000 1.008 418 E CA 0.089 56.465 56.400 -0.040 0.000 0.852 418 E CB 0.209 29.905 29.700 -0.006 0.000 0.783 418 E HN 0.015 nan 8.360 nan 0.000 0.505 419 L N 0.830 121.968 121.223 -0.142 0.000 2.417 419 L HA 0.459 4.819 4.340 0.032 0.000 0.268 419 L C 0.756 177.424 176.870 -0.337 0.000 1.158 419 L CA 0.598 55.287 54.840 -0.251 0.000 0.819 419 L CB 0.966 42.834 42.059 -0.319 0.000 1.112 419 L HN 0.183 nan 8.230 nan 0.000 0.458 420 G N 1.878 110.428 108.800 -0.417 0.000 2.608 420 G HA2 0.460 4.439 3.960 0.032 0.000 0.291 420 G HA3 0.460 4.439 3.960 0.032 0.000 0.291 420 G C -2.062 172.583 174.900 -0.426 0.000 1.425 420 G CA -0.553 44.303 45.100 -0.407 0.000 0.787 420 G HN 0.374 nan 8.290 nan 0.000 0.484 421 W N 0.208 121.506 121.300 -0.002 0.000 2.639 421 W HA 0.444 5.123 4.660 0.032 0.000 0.347 421 W C -0.495 176.024 176.519 0.000 0.000 1.067 421 W CA -0.455 56.889 57.345 -0.002 0.000 1.218 421 W CB 1.937 31.401 29.460 0.007 0.000 1.393 421 W HN 0.422 nan 8.180 nan 0.000 0.557 422 D N 0.158 120.699 120.400 0.234 0.000 2.380 422 D HA 0.207 4.866 4.640 0.032 0.000 0.254 422 D C 1.272 177.647 176.300 0.125 0.000 1.288 422 D CA 0.235 54.314 54.000 0.131 0.000 1.008 422 D CB 0.783 41.639 40.800 0.093 0.000 1.099 422 D HN 0.330 nan 8.370 nan 0.000 0.537 423 A N 0.051 122.916 122.820 0.074 0.000 1.969 423 A HA -0.026 4.314 4.320 0.032 0.000 0.218 423 A C 1.899 179.504 177.584 0.034 0.000 1.169 423 A CA 2.078 54.145 52.037 0.050 0.000 0.635 423 A CB -0.574 18.446 19.000 0.032 0.000 0.810 423 A HN 0.491 nan 8.150 nan 0.000 0.445 424 A N -1.972 120.871 122.820 0.038 0.000 1.930 424 A HA 0.392 4.731 4.320 0.032 0.000 0.215 424 A C 1.788 179.377 177.584 0.010 0.000 1.176 424 A CA 1.703 53.752 52.037 0.021 0.000 0.632 424 A CB -0.473 18.543 19.000 0.027 0.000 0.819 424 A HN 1.735 nan 8.150 nan 0.000 0.445 425 G N -1.599 107.234 108.800 0.055 0.000 2.200 425 G HA2 -0.073 3.907 3.960 0.032 0.000 0.145 425 G HA3 -0.073 3.907 3.960 0.032 0.000 0.145 425 G C -0.189 174.846 174.900 0.225 0.000 1.021 425 G CA -0.096 45.022 45.100 0.029 0.000 0.720 425 G HN 0.507 nan 8.290 nan 0.000 0.494 426 Q N 0.205 120.143 119.800 0.229 0.000 2.259 426 Q HA 0.582 4.941 4.340 0.032 0.000 0.249 426 Q C 0.303 176.443 176.000 0.234 0.000 0.914 426 Q CA -0.410 55.522 55.803 0.215 0.000 0.904 426 Q CB 1.933 30.735 28.738 0.108 0.000 1.213 426 Q HN 0.318 nan 8.270 nan 0.000 0.428 427 L N 4.446 125.749 121.223 0.134 0.000 2.410 427 L HA 0.311 4.671 4.340 0.032 0.000 0.273 427 L C -0.113 176.687 176.870 -0.117 0.000 1.152 427 L CA 0.011 54.800 54.840 -0.085 0.000 0.855 427 L CB 0.191 42.188 42.059 -0.103 0.000 1.129 427 L HN 0.581 nan 8.230 nan 0.000 0.463 428 I N -0.171 120.291 120.570 -0.179 0.000 2.865 428 I HA 0.522 4.712 4.170 0.032 0.000 0.302 428 I C -1.053 174.966 176.117 -0.163 0.000 1.140 428 I CA -1.035 60.183 61.300 -0.138 0.000 1.021 428 I CB 2.173 40.129 38.000 -0.073 0.000 1.233 428 I HN 0.400 nan 8.210 nan 0.000 0.427 429 D N 3.344 123.676 120.400 -0.113 0.000 2.511 429 D HA 0.314 4.973 4.640 0.032 0.000 0.276 429 D C 1.274 177.558 176.300 -0.027 0.000 1.220 429 D CA -0.078 53.889 54.000 -0.055 0.000 1.077 429 D CB 0.360 41.209 40.800 0.082 0.000 1.126 429 D HN 0.714 nan 8.370 nan 0.000 0.583 430 G N -0.486 108.316 108.800 0.002 0.000 2.586 430 G HA2 -0.317 3.662 3.960 0.032 0.000 0.218 430 G HA3 -0.317 3.662 3.960 0.032 0.000 0.218 430 G C 0.985 175.883 174.900 -0.003 0.000 1.216 430 G CA 0.676 45.775 45.100 -0.001 0.000 0.786 430 G HN 0.651 nan 8.290 nan 0.000 0.583 431 E N 0.843 121.047 120.200 0.006 0.000 2.428 431 E HA 0.251 4.620 4.350 0.032 0.000 0.199 431 E C 1.798 178.385 176.600 -0.022 0.000 1.172 431 E CA 0.161 56.556 56.400 -0.008 0.000 0.941 431 E CB -0.472 29.222 29.700 -0.011 0.000 1.001 431 E HN 0.518 nan 8.360 nan 0.000 0.501 432 G N 2.426 111.213 108.800 -0.022 0.000 2.220 432 G HA2 -0.422 3.558 3.960 0.032 0.000 0.269 432 G HA3 -0.422 3.558 3.960 0.032 0.000 0.269 432 G C 0.535 175.411 174.900 -0.040 0.000 0.977 432 G CA 0.830 45.913 45.100 -0.028 0.000 0.634 432 G HN 0.472 nan 8.290 nan 0.000 0.539 433 R N 0.154 120.624 120.500 -0.051 0.000 2.679 433 R HA 0.606 4.965 4.340 0.032 0.000 0.269 433 R C 0.485 176.744 176.300 -0.068 0.000 1.076 433 R CA -0.723 55.332 56.100 -0.075 0.000 1.160 433 R CB 0.481 30.687 30.300 -0.156 0.000 1.054 433 R HN 0.196 nan 8.270 nan 0.000 0.507 434 L N 2.138 123.325 121.223 -0.061 0.000 2.416 434 L HA 0.137 4.496 4.340 0.032 0.000 0.272 434 L C -0.350 176.456 176.870 -0.107 0.000 1.161 434 L CA -0.527 54.278 54.840 -0.059 0.000 0.845 434 L CB 1.285 43.336 42.059 -0.014 0.000 1.119 434 L HN 0.465 nan 8.230 nan 0.000 0.464 435 V N 3.847 123.635 119.914 -0.210 0.000 2.334 435 V HA 0.102 4.242 4.120 0.032 0.000 0.267 435 V C 0.463 176.497 176.094 -0.099 0.000 1.040 435 V CA -0.233 61.835 62.300 -0.386 0.000 0.866 435 V CB 0.830 32.390 31.823 -0.439 0.000 1.019 435 V HN 0.953 nan 8.190 nan 0.000 0.468 436 N N 2.396 121.118 118.700 0.036 0.000 2.317 436 N HA 0.121 4.881 4.740 0.032 0.000 0.199 436 N C 0.113 175.714 175.510 0.150 0.000 1.145 436 N CA -0.032 53.076 53.050 0.096 0.000 0.882 436 N CB 0.514 39.071 38.487 0.116 0.000 1.113 436 N HN 0.511 nan 8.380 nan 0.000 0.486 437 C N 0.337 119.760 119.300 0.205 0.000 2.634 437 C HA 0.854 5.334 4.460 0.032 0.000 0.313 437 C C -1.303 173.828 174.990 0.235 0.000 1.198 437 C CA -0.379 58.780 59.018 0.234 0.000 1.605 437 C CB 1.087 28.962 27.740 0.226 0.000 2.196 437 C HN 0.113 nan 8.230 nan 0.000 0.486 438 V N 3.911 123.978 119.914 0.255 0.000 2.891 438 V HA 0.436 4.576 4.120 0.032 0.000 0.304 438 V C -1.525 174.743 176.094 0.289 0.000 1.171 438 V CA -0.423 62.009 62.300 0.220 0.000 0.943 438 V CB 1.961 33.858 31.823 0.122 0.000 1.037 438 V HN 0.910 nan 8.190 nan 0.000 0.427 439 W N 6.906 128.258 121.300 0.087 0.000 2.294 439 W HA 0.632 5.305 4.660 0.021 0.000 0.314 439 W C 0.130 176.682 176.519 0.055 0.000 1.044 439 W CA -0.948 56.472 57.345 0.126 0.000 1.284 439 W CB 1.080 30.567 29.460 0.044 0.000 1.231 439 W HN 0.604 nan 8.180 nan 0.000 0.419 440 K N 3.156 123.188 120.400 -0.613 0.000 2.110 440 K HA 0.529 4.868 4.320 0.032 0.000 0.263 440 K C 0.180 176.208 176.600 -0.954 0.000 0.975 440 K CA -0.656 55.291 56.287 -0.567 0.000 0.895 440 K CB 2.021 34.302 32.500 -0.364 0.000 1.060 440 K HN 0.306 nan 8.250 nan 0.000 0.448 441 T N 1.085 115.222 114.554 -0.695 0.000 3.034 441 T HA 0.099 4.468 4.350 0.032 0.000 0.248 441 T C -0.370 174.087 174.700 -0.405 0.000 1.040 441 T CA -0.203 61.515 62.100 -0.637 0.000 1.107 441 T CB -0.065 68.466 68.868 -0.563 0.000 0.932 441 T HN 0.531 nan 8.240 nan 0.000 0.474 442 W N 2.137 123.227 121.300 -0.351 0.000 2.187 442 W HA 0.471 5.149 4.660 0.031 0.000 0.348 442 W C 0.499 176.820 176.519 -0.331 0.000 1.282 442 W CA -0.838 56.331 57.345 -0.293 0.000 1.271 442 W CB 0.248 29.525 29.460 -0.305 0.000 1.170 442 W HN 0.068 nan 8.180 nan 0.000 0.583 443 A N 2.694 125.529 122.820 0.026 0.000 2.309 443 A HA 0.282 4.622 4.320 0.032 0.000 0.298 443 A C 0.176 177.687 177.584 -0.122 0.000 1.165 443 A CA -0.687 51.313 52.037 -0.061 0.000 0.821 443 A CB 0.181 19.176 19.000 -0.009 0.000 1.102 443 A HN 0.927 nan 8.150 nan 0.000 0.500 444 W N 0.517 121.647 121.300 -0.282 0.000 2.321 444 W HA -0.193 4.482 4.660 0.025 0.000 0.306 444 W C 1.936 177.953 176.519 -0.837 0.000 1.217 444 W CA 1.535 58.550 57.345 -0.551 0.000 1.257 444 W CB 0.124 29.173 29.460 -0.684 0.000 1.145 444 W HN 0.788 nan 8.180 nan 0.000 0.509 445 E N -0.391 119.558 120.200 -0.418 0.000 2.187 445 E HA -0.218 4.151 4.350 0.032 0.000 0.199 445 E C 1.881 178.463 176.600 -0.031 0.000 1.004 445 E CA 2.063 58.319 56.400 -0.240 0.000 0.813 445 E CB -0.724 28.977 29.700 0.001 0.000 0.736 445 E HN 0.297 nan 8.360 nan 0.000 0.468 446 T N 0.651 115.189 114.554 -0.026 0.000 2.746 446 T HA -0.120 4.249 4.350 0.032 0.000 0.267 446 T C 1.874 176.572 174.700 -0.004 0.000 1.039 446 T CA 1.465 63.576 62.100 0.018 0.000 1.142 446 T CB -0.127 68.760 68.868 0.032 0.000 0.866 446 T HN 0.298 nan 8.240 nan 0.000 0.444 447 A N 0.521 123.320 122.820 -0.035 0.000 1.968 447 A HA 0.138 4.478 4.320 0.032 0.000 0.217 447 A C 2.032 179.783 177.584 0.279 0.000 1.169 447 A CA 0.818 52.890 52.037 0.058 0.000 0.638 447 A CB -0.869 18.184 19.000 0.089 0.000 0.812 447 A HN 0.589 nan 8.150 nan 0.000 0.446 448 F N -0.100 119.941 119.950 0.152 0.000 2.234 448 F HA -0.175 4.371 4.527 0.032 0.000 0.299 448 F C 2.081 177.942 175.800 0.102 0.000 1.087 448 F CA 0.540 58.620 58.000 0.133 0.000 1.340 448 F CB -0.095 38.994 39.000 0.149 0.000 1.031 448 F HN 0.232 nan 8.300 nan 0.000 0.500 449 D N 0.272 120.839 120.400 0.279 0.000 2.144 449 D HA -0.156 4.503 4.640 0.032 0.000 0.199 449 D C 1.777 178.156 176.300 0.132 0.000 0.984 449 D CA 1.039 55.147 54.000 0.179 0.000 0.834 449 D CB -0.303 40.575 40.800 0.129 0.000 0.955 449 D HN 0.402 nan 8.370 nan 0.000 0.465 450 Q N -0.216 119.651 119.800 0.111 0.000 2.515 450 Q HA 0.065 4.424 4.340 0.032 0.000 0.214 450 Q C 1.622 177.675 176.000 0.088 0.000 0.971 450 Q CA 0.162 56.008 55.803 0.071 0.000 0.952 450 Q CB 0.500 29.254 28.738 0.026 0.000 0.999 450 Q HN 0.387 nan 8.270 nan 0.000 0.524 451 I N -0.891 119.756 120.570 0.128 0.000 4.032 451 I HA -0.030 4.159 4.170 0.032 0.000 0.313 451 I C 1.494 177.737 176.117 0.210 0.000 1.272 451 I CA 0.074 61.453 61.300 0.131 0.000 1.307 451 I CB 0.316 38.370 38.000 0.090 0.000 1.155 451 I HN 0.046 nan 8.210 nan 0.000 0.431 452 R N 1.177 121.774 120.500 0.162 0.000 2.339 452 R HA 0.040 4.399 4.340 0.032 0.000 0.199 452 R C 0.266 176.628 176.300 0.104 0.000 1.018 452 R CA 0.481 56.659 56.100 0.130 0.000 1.036 452 R CB -0.133 30.236 30.300 0.115 0.000 0.899 452 R HN 0.430 nan 8.270 nan 0.000 0.473 460 A N -0.055 122.930 122.820 0.274 0.000 2.606 460 A HA 0.935 5.274 4.320 0.032 0.000 0.290 460 A C -0.005 177.633 177.584 0.090 0.000 1.174 460 A CA 0.328 52.448 52.037 0.138 0.000 0.958 460 A CB -0.540 18.501 19.000 0.069 0.000 1.194 460 A HN 2.070 nan 8.150 nan 0.000 0.526 461 A N -1.758 121.107 122.820 0.076 0.000 2.441 461 A HA 0.488 4.827 4.320 0.032 0.000 0.295 461 A C -0.875 176.593 177.584 -0.194 0.000 0.992 461 A CA -0.425 51.595 52.037 -0.029 0.000 0.603 461 A CB -0.321 18.664 19.000 -0.025 0.000 1.385 461 A HN 0.702 nan 8.150 nan 0.000 0.470 462 V N 2.476 122.267 119.914 -0.205 0.000 2.617 462 V HA 0.259 4.398 4.120 0.032 0.000 0.304 462 V C -1.572 174.308 176.094 -0.357 0.000 1.040 462 V CA 0.254 62.355 62.300 -0.331 0.000 1.149 462 V CB 0.639 32.369 31.823 -0.154 0.000 0.914 462 V HN 0.666 nan 8.190 nan 0.000 0.487 463 P HA 0.270 nan 4.420 nan 0.000 0.238 463 P C -0.460 176.747 177.300 -0.155 0.000 1.794 463 P CA 0.018 62.912 63.100 -0.342 0.000 1.088 463 P CB -0.132 31.303 31.700 -0.441 0.000 1.923 464 I N -1.121 119.392 120.570 -0.095 0.000 2.707 464 I HA 0.648 4.837 4.170 0.032 0.000 0.309 464 I C -0.009 176.090 176.117 -0.030 0.000 1.001 464 I CA -1.870 59.414 61.300 -0.026 0.000 1.129 464 I CB 1.879 39.887 38.000 0.014 0.000 1.308 464 I HN -0.168 nan 8.210 nan 0.000 0.466 465 R N 1.274 121.779 120.500 0.007 0.000 2.297 465 R HA 0.428 4.787 4.340 0.032 0.000 0.308 465 R C 0.367 176.488 176.300 -0.299 0.000 1.029 465 R CA 0.122 56.137 56.100 -0.141 0.000 0.929 465 R CB 1.297 31.540 30.300 -0.096 0.000 1.046 465 R HN 0.883 nan 8.270 nan 0.000 0.461 466 T N -0.997 113.232 114.554 -0.541 0.000 3.182 466 T HA 0.442 4.811 4.350 0.032 0.000 0.277 466 T C 0.397 174.432 174.700 -1.109 0.000 1.013 466 T CA -0.170 61.539 62.100 -0.653 0.000 0.900 466 T CB 0.701 69.407 68.868 -0.270 0.000 1.098 466 T HN 0.602 nan 8.240 nan 0.000 0.543 467 G N 0.065 108.023 108.800 -1.404 0.000 2.411 467 G HA2 0.484 4.463 3.960 0.032 0.000 0.295 467 G HA3 0.484 4.463 3.960 0.032 0.000 0.295 467 G C -2.301 172.229 174.900 -0.616 0.000 1.542 467 G CA -0.722 43.800 45.100 -0.963 0.000 0.814 467 G HN 0.510 nan 8.290 nan 0.000 0.557 468 H N 1.717 120.597 119.070 -0.317 0.000 3.153 468 H HA 0.250 4.826 4.556 0.033 0.000 0.323 468 H C -2.326 173.034 175.328 0.053 0.000 1.096 468 H CA -0.610 55.394 56.048 -0.073 0.000 1.385 468 H CB 2.409 32.209 29.762 0.063 0.000 2.027 468 H HN 0.283 nan 8.280 nan 0.000 0.499 469 P HA -0.224 nan 4.420 nan 0.000 0.214 469 P C 0.890 178.230 177.300 0.067 0.000 1.164 469 P CA 1.673 64.679 63.100 -0.156 0.000 0.942 469 P CB 0.318 31.847 31.700 -0.285 0.000 0.791 470 Q N -1.433 118.488 119.800 0.202 0.000 2.515 470 Q HA 0.048 4.407 4.340 0.032 0.000 0.214 470 Q C -0.059 176.137 176.000 0.327 0.000 0.971 470 Q CA 0.214 56.190 55.803 0.288 0.000 0.952 470 Q CB -1.327 27.602 28.738 0.318 0.000 0.999 470 Q HN 0.304 nan 8.270 nan 0.000 0.524 471 N N 1.139 120.117 118.700 0.463 0.000 2.705 471 N HA -0.235 4.525 4.740 0.032 0.000 0.255 471 N C -1.041 174.589 175.510 0.200 0.000 1.008 471 N CA 0.155 53.443 53.050 0.397 0.000 0.742 471 N CB -0.312 38.302 38.487 0.212 0.000 0.906 471 N HN 0.393 nan 8.380 nan 0.000 0.541 472 E N 1.295 121.583 120.200 0.148 0.000 2.063 472 E HA 0.261 4.630 4.350 0.032 0.000 0.265 472 E C -0.566 175.955 176.600 -0.132 0.000 0.919 472 E CA -0.682 55.629 56.400 -0.148 0.000 0.756 472 E CB 0.861 30.346 29.700 -0.358 0.000 1.120 472 E HN 0.123 nan 8.360 nan 0.000 0.414 473 V N 5.233 124.977 119.914 -0.284 0.000 2.461 473 V HA 0.303 4.442 4.120 0.032 0.000 0.275 473 V C 0.615 176.595 176.094 -0.189 0.000 1.047 473 V CA -0.358 61.727 62.300 -0.359 0.000 0.955 473 V CB 0.990 32.384 31.823 -0.715 0.000 0.988 473 V HN 0.674 nan 8.190 nan 0.000 0.471 474 R N 2.619 123.067 120.500 -0.086 0.000 2.549 474 R HA 0.426 4.785 4.340 0.032 0.000 0.259 474 R C 1.344 177.522 176.300 -0.204 0.000 1.095 474 R CA -0.839 55.180 56.100 -0.136 0.000 1.148 474 R CB 0.727 30.979 30.300 -0.079 0.000 1.181 474 R HN 0.617 nan 8.270 nan 0.000 0.571 475 L N 1.173 122.207 121.223 -0.315 0.000 1.989 475 L HA -0.195 4.165 4.340 0.032 0.000 0.211 475 L C 2.123 178.829 176.870 -0.273 0.000 1.071 475 L CA 1.803 56.370 54.840 -0.454 0.000 0.749 475 L CB -0.253 41.396 42.059 -0.684 0.000 0.890 475 L HN 0.720 nan 8.230 nan 0.000 0.431 476 I N -0.142 120.332 120.570 -0.160 0.000 2.454 476 I HA -0.310 3.880 4.170 0.032 0.000 0.254 476 I C 1.454 177.572 176.117 0.001 0.000 1.156 476 I CA 1.411 62.687 61.300 -0.040 0.000 1.433 476 I CB -0.236 37.772 38.000 0.013 0.000 1.082 476 I HN 0.347 nan 8.210 nan 0.000 0.432 477 D N 0.104 120.506 120.400 0.002 0.000 2.378 477 D HA -0.079 4.581 4.640 0.032 0.000 0.222 477 D C 1.861 178.201 176.300 0.066 0.000 0.980 477 D CA 0.804 54.865 54.000 0.100 0.000 0.907 477 D CB 0.388 41.327 40.800 0.232 0.000 0.899 477 D HN 0.329 nan 8.370 nan 0.000 0.527 478 V N -0.158 119.738 119.914 -0.030 0.000 2.840 478 V HA 0.001 4.140 4.120 0.032 0.000 0.234 478 V C 2.472 178.557 176.094 -0.015 0.000 1.159 478 V CA 0.083 62.353 62.300 -0.049 0.000 1.194 478 V CB -0.248 31.497 31.823 -0.131 0.000 0.971 478 V HN 0.067 nan 8.190 nan 0.000 0.494 479 L N 0.074 121.256 121.223 -0.067 0.000 2.127 479 L HA -0.096 4.263 4.340 0.032 0.000 0.211 479 L C 1.897 178.901 176.870 0.224 0.000 1.089 479 L CA 1.571 56.388 54.840 -0.037 0.000 0.757 479 L CB -0.402 41.451 42.059 -0.343 0.000 0.899 479 L HN 0.315 nan 8.230 nan 0.000 0.434 480 L N -0.433 120.910 121.223 0.200 0.000 2.818 480 L HA 0.155 4.515 4.340 0.032 0.000 0.243 480 L C 0.639 177.590 176.870 0.134 0.000 1.185 480 L CA -0.443 54.526 54.840 0.214 0.000 0.988 480 L CB 0.097 42.275 42.059 0.198 0.000 1.292 480 L HN 0.052 nan 8.230 nan 0.000 0.519 481 R N 1.423 121.995 120.500 0.121 0.000 2.347 481 R HA 0.148 4.507 4.340 0.032 0.000 0.304 481 R C -1.729 174.635 176.300 0.108 0.000 1.072 481 R CA -1.635 54.528 56.100 0.105 0.000 0.980 481 R CB 0.597 30.959 30.300 0.102 0.000 0.986 481 R HN -0.162 nan 8.270 nan 0.000 0.448 482 P HA -0.139 nan 4.420 nan 0.000 0.216 482 P C -0.034 177.325 177.300 0.098 0.000 1.150 482 P CA 1.222 64.377 63.100 0.091 0.000 0.837 482 P CB 0.314 32.057 31.700 0.071 0.000 0.786 483 E N -1.117 119.138 120.200 0.092 0.000 2.358 483 E HA -0.006 4.363 4.350 0.032 0.000 0.195 483 E C 0.372 177.036 176.600 0.105 0.000 1.010 483 E CA 0.260 56.716 56.400 0.093 0.000 0.856 483 E CB -0.794 28.954 29.700 0.081 0.000 0.795 483 E HN 0.070 nan 8.360 nan 0.000 0.504 484 V N 2.479 122.458 119.914 0.109 0.000 2.405 484 V HA 0.072 4.212 4.120 0.032 0.000 0.264 484 V C -0.151 176.036 176.094 0.154 0.000 1.048 484 V CA -0.567 61.803 62.300 0.117 0.000 0.966 484 V CB 0.510 32.387 31.823 0.090 0.000 1.015 484 V HN 0.139 nan 8.190 nan 0.000 0.477 485 L N 7.963 129.296 121.223 0.182 0.000 2.268 485 L HA 0.534 4.893 4.340 0.032 0.000 0.289 485 L C -0.120 176.925 176.870 0.292 0.000 1.064 485 L CA 0.436 55.410 54.840 0.223 0.000 0.824 485 L CB 1.276 43.485 42.059 0.249 0.000 1.202 485 L HN 0.536 nan 8.230 nan 0.000 0.433 486 V N 5.583 125.638 119.914 0.236 0.000 2.732 486 V HA 0.626 4.765 4.120 0.032 0.000 0.310 486 V C -1.057 175.120 176.094 0.138 0.000 1.053 486 V CA -0.394 62.059 62.300 0.256 0.000 0.957 486 V CB 1.732 33.651 31.823 0.160 0.000 1.018 486 V HN 0.581 nan 8.190 nan 0.000 0.452 487 F N 3.028 123.076 119.950 0.163 0.000 2.518 487 F HA 0.602 5.143 4.527 0.024 0.000 0.323 487 F C 0.320 176.135 175.800 0.024 0.000 1.129 487 F CA -0.668 57.442 58.000 0.183 0.000 0.920 487 F CB 1.855 41.096 39.000 0.403 0.000 1.160 487 F HN 0.506 nan 8.300 nan 0.000 0.440 488 E N 3.410 123.665 120.200 0.092 0.000 2.374 488 E HA 0.271 4.640 4.350 0.032 0.000 0.260 488 E C -2.382 174.235 176.600 0.029 0.000 1.101 488 E CA -1.950 54.464 56.400 0.023 0.000 0.907 488 E CB 0.288 29.963 29.700 -0.042 0.000 1.014 488 E HN 0.198 nan 8.360 nan 0.000 0.427 489 P HA -0.050 nan 4.420 nan 0.000 0.269 489 P C 0.974 178.128 177.300 -0.244 0.000 1.215 489 P CA -0.210 62.768 63.100 -0.203 0.000 0.780 489 P CB 0.485 31.980 31.700 -0.342 0.000 0.898 490 L N 3.952 125.049 121.223 -0.209 0.000 1.990 490 L HA -0.170 4.189 4.340 0.032 0.000 0.213 490 L C 2.072 178.668 176.870 -0.457 0.000 1.072 490 L CA 1.829 56.254 54.840 -0.691 0.000 0.755 490 L CB -1.565 40.172 42.059 -0.537 0.000 0.889 490 L HN 0.601 nan 8.230 nan 0.000 0.432 491 W N -0.482 120.724 121.300 -0.155 0.000 2.321 491 W HA -0.298 4.366 4.660 0.006 0.000 0.285 491 W C 1.916 178.379 176.519 -0.094 0.000 1.213 491 W CA 1.488 58.772 57.345 -0.103 0.000 1.205 491 W CB -2.089 27.413 29.460 0.070 0.000 1.134 491 W HN 0.497 nan 8.180 nan 0.000 0.549 492 T N 0.412 114.596 114.554 -0.616 0.000 3.025 492 T HA -0.190 4.179 4.350 0.032 0.000 0.270 492 T C 1.864 176.475 174.700 -0.148 0.000 1.126 492 T CA 1.948 63.745 62.100 -0.506 0.000 1.105 492 T CB -0.997 67.472 68.868 -0.664 0.000 0.884 492 T HN 0.240 nan 8.240 nan 0.000 0.522 493 V N -0.173 119.674 119.914 -0.113 0.000 2.490 493 V HA -0.058 4.081 4.120 0.032 0.000 0.250 493 V C 2.464 178.629 176.094 0.119 0.000 1.061 493 V CA 0.811 63.123 62.300 0.020 0.000 1.064 493 V CB -1.107 30.776 31.823 0.100 0.000 0.670 493 V HN 0.344 nan 8.190 nan 0.000 0.461 494 I N 1.552 122.166 120.570 0.072 0.000 2.076 494 I HA -0.104 4.086 4.170 0.032 0.000 0.237 494 I C 0.670 176.952 176.117 0.275 0.000 1.059 494 I CA 2.029 63.374 61.300 0.074 0.000 1.317 494 I CB -2.929 34.947 38.000 -0.206 0.000 1.037 494 I HN 0.346 nan 8.210 nan 0.000 0.398 495 P HA -0.119 nan 4.420 nan 0.000 0.219 495 P C 1.526 178.952 177.300 0.210 0.000 1.146 495 P CA 1.873 65.163 63.100 0.316 0.000 0.808 495 P CB -0.227 31.645 31.700 0.286 0.000 0.779 496 G N -0.650 108.192 108.800 0.070 0.000 2.650 496 G HA2 -0.131 3.848 3.960 0.032 0.000 0.214 496 G HA3 -0.131 3.848 3.960 0.032 0.000 0.214 496 G C 0.671 175.610 174.900 0.065 0.000 1.136 496 G CA -0.163 44.938 45.100 0.001 0.000 0.789 496 G HN 0.381 nan 8.290 nan 0.000 0.536 497 N N -0.309 118.488 118.700 0.162 0.000 2.499 497 N HA 0.219 4.979 4.740 0.032 0.000 0.281 497 N C 0.980 176.488 175.510 -0.003 0.000 1.098 497 N CA -0.480 52.629 53.050 0.098 0.000 0.979 497 N CB 0.651 39.286 38.487 0.247 0.000 1.121 497 N HN -0.103 nan 8.380 nan 0.000 0.466 498 K N 2.272 122.615 120.400 -0.095 0.000 2.525 498 K HA 0.014 4.353 4.320 0.032 0.000 0.192 498 K C 1.088 177.543 176.600 -0.242 0.000 1.029 498 K CA 0.207 56.420 56.287 -0.123 0.000 1.029 498 K CB 0.167 32.590 32.500 -0.128 0.000 0.814 498 K HN 0.574 nan 8.250 nan 0.000 0.503 499 A N 0.852 123.402 122.820 -0.450 0.000 2.168 499 A HA -0.060 4.279 4.320 0.032 0.000 0.215 499 A C 1.892 179.256 177.584 -0.365 0.000 1.152 499 A CA 0.625 52.373 52.037 -0.483 0.000 0.716 499 A CB -0.241 18.188 19.000 -0.952 0.000 0.794 499 A HN 0.265 nan 8.150 nan 0.000 0.465 500 I N -0.472 119.956 120.570 -0.237 0.000 2.676 500 I HA -0.117 4.073 4.170 0.032 0.000 0.259 500 I C 2.024 178.106 176.117 -0.058 0.000 1.194 500 I CA 0.705 62.041 61.300 0.061 0.000 1.473 500 I CB -0.048 38.077 38.000 0.207 0.000 1.096 500 I HN 0.325 nan 8.210 nan 0.000 0.443 501 L N 0.840 121.991 121.223 -0.121 0.000 2.012 501 L HA -0.155 4.204 4.340 0.032 0.000 0.210 501 L C -0.233 176.567 176.870 -0.117 0.000 1.073 501 L CA 1.624 56.386 54.840 -0.130 0.000 0.748 501 L CB -2.173 39.797 42.059 -0.149 0.000 0.891 501 L HN 0.209 nan 8.230 nan 0.000 0.431 502 P HA -0.170 nan 4.420 nan 0.000 0.215 502 P C 1.825 179.155 177.300 0.049 0.000 1.153 502 P CA 1.244 64.234 63.100 -0.183 0.000 0.853 502 P CB 0.016 31.326 31.700 -0.650 0.000 0.788 503 I N -1.264 119.338 120.570 0.053 0.000 2.127 503 I HA -0.210 3.979 4.170 0.032 0.000 0.241 503 I C 2.216 178.352 176.117 0.031 0.000 1.075 503 I CA 1.490 62.830 61.300 0.068 0.000 1.334 503 I CB -1.832 36.216 38.000 0.080 0.000 1.040 503 I HN -0.019 nan 8.210 nan 0.000 0.405 504 L N 0.220 121.455 121.223 0.020 0.000 2.081 504 L HA -0.236 4.124 4.340 0.032 0.000 0.212 504 L C 2.398 179.370 176.870 0.170 0.000 1.080 504 L CA 1.770 56.643 54.840 0.055 0.000 0.754 504 L CB -1.079 40.903 42.059 -0.129 0.000 0.893 504 L HN 0.419 nan 8.230 nan 0.000 0.433 505 W N -0.712 120.551 121.300 -0.062 0.000 2.355 505 W HA -0.272 4.404 4.660 0.026 0.000 0.309 505 W C 2.683 179.170 176.519 -0.053 0.000 1.206 505 W CA 1.526 58.835 57.345 -0.061 0.000 1.284 505 W CB -0.165 29.231 29.460 -0.107 0.000 1.145 505 W HN 0.321 nan 8.180 nan 0.000 0.502 506 S N 0.774 116.462 115.700 -0.020 0.000 2.370 506 S HA -0.224 4.266 4.470 0.032 0.000 0.226 506 S C 1.932 176.389 174.600 -0.238 0.000 1.033 506 S CA 1.731 59.849 58.200 -0.136 0.000 1.011 506 S CB -0.582 62.599 63.200 -0.031 0.000 0.852 506 S HN 0.314 nan 8.310 nan 0.000 0.457 507 L N -0.918 120.155 121.223 -0.249 0.000 2.156 507 L HA 0.160 4.520 4.340 0.032 0.000 0.208 507 L C 0.250 176.694 176.870 -0.710 0.000 1.095 507 L CA 0.743 55.286 54.840 -0.495 0.000 0.770 507 L CB -0.120 41.570 42.059 -0.616 0.000 0.914 507 L HN 0.291 nan 8.230 nan 0.000 0.439 508 F N -0.816 119.020 119.950 -0.190 0.000 2.542 508 F HA 0.356 4.911 4.527 0.046 0.000 0.323 508 F C -2.249 173.325 175.800 -0.378 0.000 1.411 508 F CA -2.627 55.266 58.000 -0.178 0.000 1.124 508 F CB -0.171 38.776 39.000 -0.090 0.000 1.331 508 F HN -0.265 nan 8.300 nan 0.000 0.560 509 P HA -0.084 nan 4.420 nan 0.000 0.261 509 P C -0.170 176.749 177.300 -0.634 0.000 1.165 509 P CA 0.912 63.490 63.100 -0.870 0.000 0.759 509 P CB 0.058 31.511 31.700 -0.413 0.000 0.772 510 H N -1.136 117.389 119.070 -0.908 0.000 2.684 510 H HA -0.264 4.311 4.556 0.033 0.000 0.309 510 H C 0.803 176.098 175.328 -0.056 0.000 1.102 510 H CA 0.630 56.591 56.048 -0.144 0.000 1.147 510 H CB -2.142 27.596 29.762 -0.039 0.000 1.391 510 H HN 0.564 nan 8.280 nan 0.000 0.398 511 H N 1.154 120.175 119.070 -0.081 0.000 2.897 511 H HA 0.042 4.620 4.556 0.037 0.000 0.347 511 H C 1.789 177.095 175.328 -0.037 0.000 1.068 511 H CA 0.908 56.927 56.048 -0.047 0.000 1.426 511 H CB 0.505 30.242 29.762 -0.041 0.000 1.410 511 H HN 0.531 nan 8.280 nan 0.000 0.597 512 R N 3.057 123.152 120.500 -0.674 0.000 2.159 512 R HA -0.258 4.101 4.340 0.032 0.000 0.252 512 R C 0.866 177.058 176.300 -0.180 0.000 1.144 512 R CA 2.564 58.364 56.100 -0.499 0.000 0.961 512 R CB -0.165 29.586 30.300 -0.915 0.000 0.877 512 R HN 0.635 nan 8.270 nan 0.000 0.444 513 Y N -0.604 119.924 120.300 0.381 0.000 2.458 513 Y HA 0.285 4.866 4.550 0.052 0.000 0.254 513 Y C 0.623 176.558 175.900 0.059 0.000 1.120 513 Y CA -0.298 57.906 58.100 0.173 0.000 1.282 513 Y CB 0.192 38.754 38.460 0.171 0.000 1.109 513 Y HN -0.049 nan 8.280 nan 0.000 0.526 514 L N 0.976 122.389 121.223 0.317 0.000 2.453 514 L HA 0.284 4.644 4.340 0.032 0.000 0.261 514 L C -0.324 176.594 176.870 0.080 0.000 1.179 514 L CA -0.321 54.652 54.840 0.221 0.000 0.813 514 L CB 0.812 43.136 42.059 0.441 0.000 1.110 514 L HN -0.018 nan 8.230 nan 0.000 0.466 515 L N 1.005 122.140 121.223 -0.148 0.000 2.346 515 L HA 0.287 4.646 4.340 0.032 0.000 0.276 515 L C -0.307 176.062 176.870 -0.836 0.000 1.006 515 L CA -0.831 53.777 54.840 -0.386 0.000 0.817 515 L CB 1.900 43.815 42.059 -0.240 0.000 1.272 515 L HN 0.504 nan 8.230 nan 0.000 0.421 516 D N 2.368 122.075 120.400 -1.155 0.000 2.433 516 D HA 0.018 4.677 4.640 0.032 0.000 0.274 516 D C -0.697 175.113 176.300 -0.816 0.000 1.344 516 D CA 0.567 53.654 54.000 -1.523 0.000 0.989 516 D CB 0.452 40.762 40.800 -0.816 0.000 1.116 516 D HN 0.405 nan 8.370 nan 0.000 0.533 517 T N 3.473 117.556 114.554 -0.786 0.000 2.824 517 T HA 0.398 4.767 4.350 0.032 0.000 0.282 517 T C -0.389 174.089 174.700 -0.370 0.000 0.993 517 T CA -0.949 60.902 62.100 -0.415 0.000 0.967 517 T CB 2.235 70.912 68.868 -0.319 0.000 0.960 517 T HN 0.248 nan 8.240 nan 0.000 0.441 518 D N 0.043 120.264 120.400 -0.299 0.000 2.636 518 D HA 0.454 5.113 4.640 0.032 0.000 0.275 518 D C -0.411 175.730 176.300 -0.265 0.000 1.130 518 D CA -1.098 52.744 54.000 -0.264 0.000 1.031 518 D CB 1.473 42.213 40.800 -0.101 0.000 1.451 518 D HN 0.401 nan 8.370 nan 0.000 0.505 519 F N -0.073 119.915 119.950 0.062 0.000 2.693 519 F HA 0.189 4.735 4.527 0.033 0.000 0.303 519 F C 0.950 176.852 175.800 0.169 0.000 1.097 519 F CA 0.038 58.106 58.000 0.115 0.000 1.330 519 F CB 0.423 39.449 39.000 0.042 0.000 1.067 519 F HN 0.151 nan 8.300 nan 0.000 0.565 520 T N -3.725 110.910 114.554 0.134 0.000 2.792 520 T HA 0.499 4.868 4.350 0.032 0.000 0.303 520 T C -0.773 173.634 174.700 -0.489 0.000 1.310 520 T CA -0.857 61.119 62.100 -0.206 0.000 1.007 520 T CB 1.778 70.592 68.868 -0.089 0.000 1.335 520 T HN -0.340 nan 8.240 nan 0.000 0.504 521 V N 3.465 122.967 119.914 -0.687 0.000 2.276 521 V HA 0.254 4.394 4.120 0.032 0.000 0.249 521 V C 0.519 176.439 176.094 -0.289 0.000 1.160 521 V CA -0.843 61.077 62.300 -0.633 0.000 1.042 521 V CB -1.522 29.869 31.823 -0.721 0.000 1.224 521 V HN 0.936 nan 8.190 nan 0.000 0.496 522 N N 2.199 120.784 118.700 -0.192 0.000 2.354 522 N HA 0.094 4.853 4.740 0.032 0.000 0.246 522 N C 0.637 176.119 175.510 -0.046 0.000 1.285 522 N CA -0.485 52.514 53.050 -0.084 0.000 0.925 522 N CB 0.527 38.992 38.487 -0.037 0.000 1.174 522 N HN 0.264 nan 8.380 nan 0.000 0.478 523 D N -0.295 120.099 120.400 -0.010 0.000 2.177 523 D HA -0.272 4.387 4.640 0.032 0.000 0.189 523 D C 1.464 177.784 176.300 0.033 0.000 1.002 523 D CA 1.948 55.957 54.000 0.015 0.000 0.845 523 D CB -0.377 40.439 40.800 0.026 0.000 0.960 523 D HN 0.841 nan 8.370 nan 0.000 0.447 524 E N 0.158 120.384 120.200 0.044 0.000 2.070 524 E HA -0.175 4.194 4.350 0.032 0.000 0.197 524 E C 1.879 178.515 176.600 0.059 0.000 1.004 524 E CA 0.921 57.358 56.400 0.061 0.000 0.805 524 E CB -0.561 29.190 29.700 0.085 0.000 0.744 524 E HN 0.188 nan 8.360 nan 0.000 0.451 525 L N -0.329 120.915 121.223 0.036 0.000 2.353 525 L HA -0.083 4.276 4.340 0.032 0.000 0.220 525 L C 2.280 179.266 176.870 0.194 0.000 1.133 525 L CA 0.803 55.694 54.840 0.085 0.000 0.798 525 L CB -0.291 41.760 42.059 -0.012 0.000 0.922 525 L HN 0.102 nan 8.230 nan 0.000 0.445 526 V N -0.777 119.210 119.914 0.121 0.000 2.453 526 V HA -0.267 3.872 4.120 0.032 0.000 0.247 526 V C 2.522 178.694 176.094 0.130 0.000 1.048 526 V CA 1.619 64.010 62.300 0.153 0.000 1.049 526 V CB -0.483 31.388 31.823 0.081 0.000 0.672 526 V HN 0.473 nan 8.190 nan 0.000 0.457 527 K N 0.629 121.088 120.400 0.097 0.000 2.057 527 K HA -0.196 4.143 4.320 0.032 0.000 0.207 527 K C 2.183 178.830 176.600 0.078 0.000 1.049 527 K CA 2.070 58.407 56.287 0.083 0.000 0.931 527 K CB -0.228 32.309 32.500 0.061 0.000 0.714 527 K HN 0.659 nan 8.250 nan 0.000 0.440 528 T N -2.549 112.048 114.554 0.072 0.000 3.014 528 T HA 0.232 4.601 4.350 0.032 0.000 0.263 528 T C 0.911 175.629 174.700 0.029 0.000 1.078 528 T CA 0.319 62.435 62.100 0.026 0.000 1.135 528 T CB -0.068 68.834 68.868 0.056 0.000 0.895 528 T HN 0.454 nan 8.240 nan 0.000 0.480 529 G N 1.086 109.932 108.800 0.077 0.000 2.663 529 G HA2 0.276 4.255 3.960 0.032 0.000 0.686 529 G HA3 0.276 4.255 3.960 0.032 0.000 0.686 529 G C -0.873 174.011 174.900 -0.028 0.000 1.246 529 G CA -0.554 44.504 45.100 -0.071 0.000 0.795 529 G HN 1.243 nan 8.290 nan 0.000 0.627 530 Y N -2.830 117.501 120.300 0.053 0.000 2.689 530 Y HA 0.867 5.435 4.550 0.031 0.000 0.333 530 Y C -0.038 175.893 175.900 0.051 0.000 1.208 530 Y CA -1.266 56.867 58.100 0.055 0.000 1.055 530 Y CB 0.634 39.136 38.460 0.069 0.000 1.304 530 Y HN 1.945 nan 8.280 nan 0.000 0.455 531 A N 1.202 124.179 122.820 0.262 0.000 2.292 531 A HA 0.721 5.060 4.320 0.032 0.000 0.319 531 A C -1.184 176.527 177.584 0.211 0.000 1.206 531 A CA -0.789 51.331 52.037 0.137 0.000 0.835 531 A CB 0.664 19.669 19.000 0.009 0.000 1.164 531 A HN 0.683 nan 8.150 nan 0.000 0.505 532 V N 3.297 123.298 119.914 0.145 0.000 2.407 532 V HA 0.445 4.584 4.120 0.032 0.000 0.278 532 V C 0.033 176.055 176.094 -0.121 0.000 1.037 532 V CA -0.215 62.070 62.300 -0.025 0.000 0.900 532 V CB 0.839 32.705 31.823 0.072 0.000 0.983 532 V HN 0.890 nan 8.190 nan 0.000 0.459 533 K N 5.920 126.182 120.400 -0.230 0.000 2.525 533 K HA 0.442 4.782 4.320 0.032 0.000 0.254 533 K C -2.996 173.491 176.600 -0.189 0.000 0.934 533 K CA -1.712 54.471 56.287 -0.173 0.000 0.802 533 K CB 3.091 35.499 32.500 -0.153 0.000 1.295 533 K HN 0.321 nan 8.250 nan 0.000 0.433 534 P HA 0.063 nan 4.420 nan 0.000 0.271 534 P C 0.844 178.051 177.300 -0.154 0.000 1.218 534 P CA -0.226 62.801 63.100 -0.121 0.000 0.780 534 P CB 0.523 32.177 31.700 -0.077 0.000 0.901 535 I N 0.310 120.808 120.570 -0.119 0.000 2.493 535 I HA -0.024 4.165 4.170 0.032 0.000 0.254 535 I C 1.272 177.317 176.117 -0.119 0.000 1.160 535 I CA 1.377 62.601 61.300 -0.126 0.000 1.445 535 I CB -0.509 37.424 38.000 -0.112 0.000 1.086 535 I HN 0.154 nan 8.210 nan 0.000 0.433 536 A N 1.291 124.038 122.820 -0.122 0.000 2.749 536 A HA 0.696 5.035 4.320 0.032 0.000 0.299 536 A C 0.613 177.955 177.584 -0.403 0.000 1.105 536 A CA -0.079 51.875 52.037 -0.138 0.000 0.987 536 A CB -0.643 18.360 19.000 0.005 0.000 1.180 536 A HN 0.454 nan 8.150 nan 0.000 0.528 537 G N 0.245 108.679 108.800 -0.610 0.000 2.521 537 G HA2 0.712 4.691 3.960 0.032 0.000 0.323 537 G HA3 0.712 4.691 3.960 0.032 0.000 0.323 537 G C -0.172 174.312 174.900 -0.693 0.000 1.211 537 G CA -0.780 43.544 45.100 -1.294 0.000 0.979 537 G HN 0.696 nan 8.290 nan 0.000 0.490 538 R N -2.786 117.362 120.500 -0.587 0.000 2.829 538 R HA 0.502 4.861 4.340 0.032 0.000 0.267 538 R C -0.163 176.121 176.300 -0.027 0.000 1.051 538 R CA -0.306 55.678 56.100 -0.193 0.000 0.927 538 R CB 0.287 30.520 30.300 -0.113 0.000 1.292 538 R HN 0.881 nan 8.270 nan 0.000 0.445 539 C N -0.753 118.545 119.300 -0.003 0.000 4.663 539 C HA -0.103 4.376 4.460 0.032 0.000 0.272 539 C C 1.312 176.311 174.990 0.015 0.000 1.566 539 C CA 1.270 60.304 59.018 0.027 0.000 1.735 539 C CB -2.122 25.666 27.740 0.080 0.000 1.857 539 C HN 1.693 nan 8.230 nan 0.000 0.674 540 G N 0.150 108.943 108.800 -0.012 0.000 2.212 540 G HA2 -0.096 3.883 3.960 0.032 0.000 0.255 540 G HA3 -0.096 3.883 3.960 0.032 0.000 0.255 540 G C -0.169 174.738 174.900 0.012 0.000 1.062 540 G CA 0.473 45.555 45.100 -0.031 0.000 0.815 540 G HN 1.030 nan 8.290 nan 0.000 0.497 541 S N -0.057 115.690 115.700 0.077 0.000 2.525 541 S HA 0.526 5.016 4.470 0.032 0.000 0.278 541 S C 0.860 175.546 174.600 0.144 0.000 1.234 541 S CA 0.115 58.412 58.200 0.162 0.000 1.058 541 S CB 0.814 64.254 63.200 0.401 0.000 0.983 541 S HN 0.815 nan 8.310 nan 0.000 0.495 542 N N 0.825 119.584 118.700 0.097 0.000 2.740 542 N HA -0.140 4.619 4.740 0.032 0.000 0.248 542 N C -0.996 174.527 175.510 0.022 0.000 1.062 542 N CA 0.434 53.525 53.050 0.069 0.000 0.704 542 N CB -1.247 37.313 38.487 0.122 0.000 0.968 542 N HN 0.354 nan 8.380 nan 0.000 0.547 543 I N 0.286 120.853 120.570 -0.005 0.000 2.385 543 I HA 0.343 4.532 4.170 0.032 0.000 0.294 543 I C 0.140 176.242 176.117 -0.026 0.000 0.988 543 I CA -0.233 61.046 61.300 -0.036 0.000 1.265 543 I CB 1.447 39.404 38.000 -0.071 0.000 1.388 543 I HN 0.036 nan 8.210 nan 0.000 0.480 544 D N 6.069 126.461 120.400 -0.014 0.000 2.549 544 D HA 0.434 5.094 4.640 0.032 0.000 0.251 544 D C -0.543 175.748 176.300 -0.015 0.000 1.153 544 D CA -0.209 53.791 54.000 0.000 0.000 0.861 544 D CB 1.711 42.539 40.800 0.048 0.000 1.207 544 D HN 0.249 nan 8.370 nan 0.000 0.543 545 L N 2.721 123.908 121.223 -0.060 0.000 2.270 545 L HA 0.457 4.817 4.340 0.032 0.000 0.286 545 L C -0.587 176.198 176.870 -0.143 0.000 1.059 545 L CA -0.830 53.950 54.840 -0.099 0.000 0.839 545 L CB 0.723 42.724 42.059 -0.098 0.000 1.221 545 L HN 0.079 nan 8.230 nan 0.000 0.431 546 V N 1.865 121.612 119.914 -0.279 0.000 2.472 546 V HA 0.353 4.492 4.120 0.032 0.000 0.290 546 V C 0.587 176.489 176.094 -0.319 0.000 1.037 546 V CA -0.546 61.556 62.300 -0.330 0.000 0.908 546 V CB 1.810 33.330 31.823 -0.504 0.000 0.985 546 V HN 0.864 nan 8.190 nan 0.000 0.454 547 S N 3.121 118.731 115.700 -0.149 0.000 2.655 547 S HA 0.192 4.682 4.470 0.032 0.000 0.265 547 S C 1.210 175.799 174.600 -0.020 0.000 1.240 547 S CA -0.049 58.134 58.200 -0.027 0.000 0.986 547 S CB 0.461 63.687 63.200 0.044 0.000 0.985 547 S HN 0.895 nan 8.310 nan 0.000 0.562 548 H N -0.183 118.787 119.070 -0.166 0.000 2.462 548 H HA -0.007 4.568 4.556 0.033 0.000 0.292 548 H C 1.162 176.422 175.328 -0.114 0.000 1.049 548 H CA 1.526 57.484 56.048 -0.149 0.000 1.334 548 H CB -1.021 28.618 29.762 -0.205 0.000 1.404 548 H HN 0.749 nan 8.280 nan 0.000 0.544 549 H N 0.997 119.700 119.070 -0.610 0.000 2.563 549 H HA 0.003 4.579 4.556 0.033 0.000 0.272 549 H C 0.574 175.786 175.328 -0.192 0.000 1.005 549 H CA 0.908 56.699 56.048 -0.430 0.000 1.171 549 H CB 0.061 29.576 29.762 -0.411 0.000 1.351 549 H HN 0.590 nan 8.280 nan 0.000 0.602 550 E N 0.653 120.826 120.200 -0.045 0.000 2.553 550 E HA -0.181 4.188 4.350 0.032 0.000 0.264 550 E C -1.000 175.584 176.600 -0.026 0.000 1.068 550 E CA 0.191 56.575 56.400 -0.027 0.000 0.774 550 E CB -0.978 28.724 29.700 0.002 0.000 1.349 550 E HN 0.609 nan 8.360 nan 0.000 0.404 551 E N -0.499 119.683 120.200 -0.031 0.000 2.212 551 E HA 0.402 4.772 4.350 0.032 0.000 0.270 551 E C -0.373 176.201 176.600 -0.044 0.000 0.956 551 E CA -0.725 55.659 56.400 -0.027 0.000 0.825 551 E CB 2.110 31.802 29.700 -0.014 0.000 1.167 551 E HN 0.032 nan 8.360 nan 0.000 0.400 552 V N 4.547 124.440 119.914 -0.035 0.000 2.276 552 V HA 0.007 4.147 4.120 0.032 0.000 0.249 552 V C 1.348 177.419 176.094 -0.039 0.000 1.160 552 V CA 0.248 62.524 62.300 -0.040 0.000 1.042 552 V CB -0.475 31.335 31.823 -0.023 0.000 1.224 552 V HN 0.713 nan 8.190 nan 0.000 0.496 553 L N 1.471 122.664 121.223 -0.049 0.000 2.127 553 L HA -0.027 4.332 4.340 0.032 0.000 0.211 553 L C 0.810 177.645 176.870 -0.059 0.000 1.089 553 L CA 1.535 56.347 54.840 -0.047 0.000 0.757 553 L CB -0.020 42.008 42.059 -0.053 0.000 0.899 553 L HN 0.613 nan 8.230 nan 0.000 0.434 554 D N -1.722 118.640 120.400 -0.063 0.000 2.720 554 D HA 0.339 4.998 4.640 0.032 0.000 0.239 554 D C -1.203 175.065 176.300 -0.054 0.000 1.218 554 D CA -0.462 53.499 54.000 -0.066 0.000 0.748 554 D CB 1.946 42.688 40.800 -0.097 0.000 1.387 554 D HN -0.156 nan 8.370 nan 0.000 0.438 555 K N 0.145 120.520 120.400 -0.043 0.000 2.512 555 K HA 0.703 5.043 4.320 0.032 0.000 0.263 555 K C -1.151 175.433 176.600 -0.027 0.000 0.966 555 K CA -0.751 55.519 56.287 -0.028 0.000 0.851 555 K CB 2.432 34.924 32.500 -0.014 0.000 1.395 555 K HN 0.484 nan 8.250 nan 0.000 0.440 556 T N -1.639 112.905 114.554 -0.016 0.000 2.952 556 T HA 0.386 4.756 4.350 0.032 0.000 0.305 556 T C 0.031 174.735 174.700 0.006 0.000 1.064 556 T CA -0.884 61.211 62.100 -0.009 0.000 1.008 556 T CB 1.389 70.249 68.868 -0.013 0.000 1.078 556 T HN 0.504 nan 8.240 nan 0.000 0.459 557 S N 1.813 117.515 115.700 0.004 0.000 2.625 557 S HA 0.915 5.404 4.470 0.032 0.000 0.258 557 S C 0.798 175.406 174.600 0.013 0.000 1.256 557 S CA -0.184 58.019 58.200 0.004 0.000 0.983 557 S CB 0.331 63.526 63.200 -0.008 0.000 1.032 557 S HN 1.834 nan 8.310 nan 0.000 0.572 558 G N -0.580 108.212 108.800 -0.014 0.000 2.324 558 G HA2 0.401 4.380 3.960 0.032 0.000 0.293 558 G HA3 0.401 4.380 3.960 0.032 0.000 0.293 558 G C -1.274 173.519 174.900 -0.179 0.000 1.297 558 G CA -0.786 44.285 45.100 -0.049 0.000 0.853 558 G HN 0.495 nan 8.290 nan 0.000 0.535 559 K N -0.513 119.596 120.400 -0.485 0.000 2.358 559 K HA 0.410 4.749 4.320 0.032 0.000 0.197 559 K C 0.500 176.755 176.600 -0.576 0.000 1.025 559 K CA 0.306 56.263 56.287 -0.551 0.000 1.104 559 K CB 0.060 32.188 32.500 -0.620 0.000 0.855 559 K HN 0.288 nan 8.250 nan 0.000 0.531 560 F N 0.005 119.955 119.950 0.002 0.000 2.647 560 F HA 0.422 4.970 4.527 0.036 0.000 0.300 560 F C 1.770 177.569 175.800 -0.001 0.000 1.106 560 F CA -0.646 57.356 58.000 0.003 0.000 1.313 560 F CB -0.048 38.951 39.000 -0.002 0.000 1.007 560 F HN -0.010 nan 8.300 nan 0.000 0.536 561 A N 0.528 123.405 122.820 0.096 0.000 1.892 561 A HA -0.189 4.151 4.320 0.032 0.000 0.218 561 A C 2.086 179.710 177.584 0.065 0.000 1.188 561 A CA 1.726 53.803 52.037 0.068 0.000 0.631 561 A CB -0.354 18.663 19.000 0.029 0.000 0.822 561 A HN 0.262 nan 8.150 nan 0.000 0.447 562 E N 0.720 120.955 120.200 0.059 0.000 2.516 562 E HA -0.073 4.296 4.350 0.032 0.000 0.199 562 E C 0.954 177.595 176.600 0.069 0.000 1.069 562 E CA 0.534 56.967 56.400 0.055 0.000 0.876 562 E CB -0.463 29.262 29.700 0.042 0.000 0.843 562 E HN 0.968 nan 8.360 nan 0.000 0.530 563 Q N 0.349 120.203 119.800 0.091 0.000 2.166 563 Q HA 0.297 4.657 4.340 0.032 0.000 0.226 563 Q C 0.098 176.128 176.000 0.050 0.000 0.989 563 Q CA -0.869 54.984 55.803 0.082 0.000 0.966 563 Q CB 1.134 29.940 28.738 0.112 0.000 1.173 563 Q HN -0.224 nan 8.270 nan 0.000 0.509 564 K N 1.206 121.631 120.400 0.041 0.000 2.412 564 K HA 0.072 4.412 4.320 0.032 0.000 0.281 564 K C -0.735 175.852 176.600 -0.021 0.000 1.027 564 K CA -0.133 56.169 56.287 0.026 0.000 0.989 564 K CB 0.427 32.950 32.500 0.039 0.000 0.935 564 K HN 0.547 nan 8.250 nan 0.000 0.475 565 N N 3.153 121.812 118.700 -0.069 0.000 2.482 565 N HA 0.377 5.136 4.740 0.032 0.000 0.279 565 N C -0.240 175.105 175.510 -0.275 0.000 1.182 565 N CA -0.502 52.409 53.050 -0.232 0.000 0.969 565 N CB 1.033 39.265 38.487 -0.425 0.000 1.201 565 N HN 0.500 nan 8.380 nan 0.000 0.523 566 I N -2.132 118.196 120.570 -0.404 0.000 2.957 566 I HA 0.536 4.725 4.170 0.032 0.000 0.310 566 I C -1.429 174.359 176.117 -0.549 0.000 1.063 566 I CA -0.854 60.225 61.300 -0.368 0.000 1.033 566 I CB 1.204 38.995 38.000 -0.348 0.000 1.230 566 I HN 0.269 nan 8.210 nan 0.000 0.447 567 Y N 1.702 121.872 120.300 -0.216 0.000 2.326 567 Y HA 0.593 5.162 4.550 0.033 0.000 0.329 567 Y C -0.271 175.523 175.900 -0.176 0.000 0.973 567 Y CA -0.502 57.481 58.100 -0.194 0.000 1.162 567 Y CB 1.599 39.819 38.460 -0.400 0.000 1.147 567 Y HN 0.637 nan 8.280 nan 0.000 0.456 568 Q N 3.123 122.951 119.800 0.045 0.000 2.312 568 Q HA 0.272 4.632 4.340 0.032 0.000 0.263 568 Q C -0.533 175.522 176.000 0.093 0.000 0.995 568 Q CA -1.008 54.789 55.803 -0.009 0.000 0.853 568 Q CB 1.599 30.312 28.738 -0.041 0.000 1.300 568 Q HN 0.777 nan 8.270 nan 0.000 0.448 569 Q N 3.119 122.927 119.800 0.014 0.000 2.549 569 Q HA -0.114 4.246 4.340 0.032 0.000 0.347 569 Q C -0.615 175.494 176.000 0.182 0.000 1.081 569 Q CA -0.030 55.827 55.803 0.089 0.000 1.093 569 Q CB 0.370 29.114 28.738 0.010 0.000 1.067 569 Q HN 0.626 nan 8.270 nan 0.000 0.398 570 L N 6.147 127.475 121.223 0.174 0.000 2.506 570 L HA 0.078 4.438 4.340 0.032 0.000 0.281 570 L C -1.045 176.001 176.870 0.294 0.000 1.228 570 L CA 1.008 55.941 54.840 0.156 0.000 0.850 570 L CB 0.447 42.528 42.059 0.036 0.000 1.110 570 L HN 0.789 nan 8.230 nan 0.000 0.496 571 W N 6.476 127.828 121.300 0.087 0.000 1.987 571 W HA 0.169 4.854 4.660 0.041 0.000 0.291 571 W C -1.350 175.281 176.519 0.187 0.000 1.044 571 W CA -1.151 56.265 57.345 0.119 0.000 0.924 571 W CB 0.379 29.918 29.460 0.132 0.000 0.806 571 W HN 0.533 nan 8.180 nan 0.000 0.249 572 C N 3.713 123.101 119.300 0.147 0.000 2.657 572 C HA 0.210 4.689 4.460 0.032 0.000 0.420 572 C C 1.482 176.617 174.990 0.242 0.000 1.323 572 C CA 0.045 59.153 59.018 0.151 0.000 1.894 572 C CB -0.335 27.433 27.740 0.047 0.000 2.681 572 C HN 0.381 nan 8.230 nan 0.000 0.613 573 L N 5.635 127.031 121.223 0.287 0.000 2.467 573 L HA 0.227 4.586 4.340 0.032 0.000 0.270 573 L C -1.470 175.585 176.870 0.309 0.000 1.205 573 L CA -0.828 54.207 54.840 0.326 0.000 0.828 573 L CB 0.222 42.470 42.059 0.315 0.000 1.101 573 L HN 0.512 nan 8.230 nan 0.000 0.479 574 P HA 0.104 nan 4.420 nan 0.000 0.277 574 P C -1.338 175.943 177.300 -0.032 0.000 1.240 574 P CA -0.563 62.588 63.100 0.085 0.000 0.798 574 P CB 1.073 32.799 31.700 0.043 0.000 0.979 575 K N 1.846 122.123 120.400 -0.205 0.000 2.263 575 K HA 0.413 4.753 4.320 0.032 0.000 0.272 575 K C -1.331 175.130 176.600 -0.233 0.000 1.033 575 K CA -0.663 55.314 56.287 -0.516 0.000 0.884 575 K CB 0.669 32.755 32.500 -0.690 0.000 1.107 575 K HN 0.229 nan 8.250 nan 0.000 0.460 576 V N 4.286 124.102 119.914 -0.164 0.000 2.443 576 V HA 0.116 4.255 4.120 0.032 0.000 0.293 576 V C -0.783 175.401 176.094 0.149 0.000 1.021 576 V CA -0.719 61.592 62.300 0.018 0.000 0.848 576 V CB 1.425 33.296 31.823 0.080 0.000 0.998 576 V HN 0.934 nan 8.190 nan 0.000 0.424 577 D N 4.490 124.948 120.400 0.097 0.000 2.746 577 D HA -0.136 4.523 4.640 0.032 0.000 0.241 577 D C 1.277 177.584 176.300 0.012 0.000 1.140 577 D CA 2.088 56.140 54.000 0.088 0.000 0.707 577 D CB -1.036 39.882 40.800 0.197 0.000 1.034 577 D HN 1.386 nan 8.370 nan 0.000 0.423 578 G N -0.880 107.897 108.800 -0.039 0.000 2.284 578 G HA2 -0.380 3.599 3.960 0.032 0.000 0.261 578 G HA3 -0.380 3.599 3.960 0.032 0.000 0.261 578 G C 0.490 175.340 174.900 -0.084 0.000 0.997 578 G CA 0.945 46.008 45.100 -0.061 0.000 0.621 578 G HN 0.565 nan 8.290 nan 0.000 0.534 579 K N -0.783 119.564 120.400 -0.088 0.000 2.350 579 K HA 0.610 4.949 4.320 0.032 0.000 0.241 579 K C -1.153 175.315 176.600 -0.220 0.000 0.994 579 K CA -0.968 55.278 56.287 -0.068 0.000 0.839 579 K CB 1.513 34.026 32.500 0.021 0.000 1.244 579 K HN 0.063 nan 8.250 nan 0.000 0.443 580 Y N 1.009 121.294 120.300 -0.025 0.000 2.327 580 Y HA 0.291 4.859 4.550 0.030 0.000 0.336 580 Y C -0.022 175.832 175.900 -0.077 0.000 1.035 580 Y CA -0.588 57.493 58.100 -0.032 0.000 1.165 580 Y CB 0.552 39.007 38.460 -0.008 0.000 1.181 580 Y HN 0.262 nan 8.280 nan 0.000 0.494 581 I N 3.289 123.843 120.570 -0.028 0.000 2.354 581 I HA 0.248 4.437 4.170 0.032 0.000 0.292 581 I C -0.348 175.765 176.117 -0.007 0.000 0.989 581 I CA -0.619 60.609 61.300 -0.119 0.000 1.188 581 I CB 1.564 39.343 38.000 -0.368 0.000 1.342 581 I HN 0.537 nan 8.210 nan 0.000 0.457 582 Q N 5.427 125.238 119.800 0.018 0.000 2.312 582 Q HA 0.644 5.003 4.340 0.032 0.000 0.263 582 Q C -1.463 174.554 176.000 0.028 0.000 0.995 582 Q CA -0.710 55.145 55.803 0.085 0.000 0.853 582 Q CB 1.966 30.787 28.738 0.138 0.000 1.300 582 Q HN 0.475 nan 8.270 nan 0.000 0.448 583 V N 2.768 122.711 119.914 0.048 0.000 2.644 583 V HA 0.411 4.551 4.120 0.032 0.000 0.295 583 V C -0.334 175.797 176.094 0.061 0.000 1.053 583 V CA -0.515 61.794 62.300 0.017 0.000 0.987 583 V CB 1.514 33.325 31.823 -0.020 0.000 1.006 583 V HN 0.893 nan 8.190 nan 0.000 0.472 584 C N 2.730 122.018 119.300 -0.021 0.000 2.547 584 C HA 0.755 5.235 4.460 0.032 0.000 0.313 584 C C 0.232 175.113 174.990 -0.182 0.000 1.191 584 C CA -0.653 58.305 59.018 -0.101 0.000 1.474 584 C CB 1.550 29.134 27.740 -0.260 0.000 2.081 584 C HN 1.008 nan 8.230 nan 0.000 0.476 585 T N -0.125 114.355 114.554 -0.123 0.000 2.863 585 T HA 0.759 5.128 4.350 0.032 0.000 0.285 585 T C -0.849 173.687 174.700 -0.274 0.000 1.009 585 T CA -0.374 61.672 62.100 -0.090 0.000 0.989 585 T CB 0.863 69.862 68.868 0.219 0.000 1.004 585 T HN 0.300 nan 8.240 nan 0.000 0.455 586 F N 1.208 121.118 119.950 -0.068 0.000 2.385 586 F HA 0.564 5.091 4.527 0.001 0.000 0.336 586 F C 1.249 177.040 175.800 -0.015 0.000 1.100 586 F CA -0.477 57.483 58.000 -0.066 0.000 1.116 586 F CB 1.865 40.759 39.000 -0.177 0.000 1.166 586 F HN 0.595 nan 8.300 nan 0.000 0.511 587 T N 2.635 117.356 114.554 0.279 0.000 2.859 587 T HA 0.697 5.066 4.350 0.032 0.000 0.281 587 T C -1.165 173.656 174.700 0.201 0.000 1.005 587 T CA -0.482 61.742 62.100 0.207 0.000 1.025 587 T CB 0.947 70.002 68.868 0.312 0.000 0.977 587 T HN 0.336 nan 8.240 nan 0.000 0.458 588 V N 3.181 123.150 119.914 0.092 0.000 2.559 588 V HA 0.551 4.690 4.120 0.032 0.000 0.289 588 V C 0.758 176.858 176.094 0.010 0.000 1.036 588 V CA -0.279 62.061 62.300 0.067 0.000 0.887 588 V CB 1.254 33.104 31.823 0.044 0.000 1.022 588 V HN 1.198 nan 8.190 nan 0.000 0.442 589 G N 3.376 112.195 108.800 0.030 0.000 2.283 589 G HA2 0.063 4.042 3.960 0.032 0.000 0.280 589 G HA3 0.063 4.042 3.960 0.032 0.000 0.280 589 G C 1.279 176.170 174.900 -0.016 0.000 1.029 589 G CA 1.104 46.228 45.100 0.040 0.000 0.840 589 G HN 2.385 nan 8.290 nan 0.000 0.505 590 G N -1.622 107.094 108.800 -0.141 0.000 2.225 590 G HA2 -0.280 3.699 3.960 0.032 0.000 0.254 590 G HA3 -0.280 3.699 3.960 0.032 0.000 0.254 590 G C 0.194 174.853 174.900 -0.401 0.000 0.988 590 G CA 0.682 45.428 45.100 -0.589 0.000 0.625 590 G HN 1.270 nan 8.290 nan 0.000 0.527 591 N N -0.541 118.073 118.700 -0.144 0.000 2.362 591 N HA 0.467 5.226 4.740 0.032 0.000 0.299 591 N C -0.348 175.201 175.510 0.065 0.000 1.170 591 N CA -0.754 52.282 53.050 -0.024 0.000 0.825 591 N CB 1.041 39.515 38.487 -0.022 0.000 1.299 591 N HN 0.203 nan 8.380 nan 0.000 0.502 592 Y N 0.583 120.883 120.300 0.000 0.000 2.969 592 Y HA 0.063 4.594 4.550 -0.031 0.000 0.339 592 Y C 1.302 177.242 175.900 0.066 0.000 1.272 592 Y CA 0.828 58.951 58.100 0.037 0.000 1.577 592 Y CB 0.214 38.690 38.460 0.025 0.000 1.234 592 Y HN 0.697 nan 8.280 nan 0.000 0.590 593 G N 2.764 111.254 108.800 -0.517 0.000 3.274 593 G HA2 0.494 4.473 3.960 0.032 0.000 0.250 593 G HA3 0.494 4.473 3.960 0.032 0.000 0.250 593 G C 0.171 174.760 174.900 -0.517 0.000 1.024 593 G CA 0.244 45.124 45.100 -0.365 0.000 0.840 593 G HN 1.363 nan 8.290 nan 0.000 0.522 594 G N -1.309 106.771 108.800 -1.200 0.000 2.351 594 G HA2 0.395 4.374 3.960 0.032 0.000 0.353 594 G HA3 0.395 4.374 3.960 0.032 0.000 0.353 594 G C -1.118 173.702 174.900 -0.133 0.000 1.358 594 G CA -0.295 44.483 45.100 -0.536 0.000 0.995 594 G HN 0.424 nan 8.290 nan 0.000 0.611 595 T N -0.556 114.079 114.554 0.134 0.000 2.916 595 T HA 0.816 5.185 4.350 0.032 0.000 0.292 595 T C -0.131 174.609 174.700 0.067 0.000 1.055 595 T CA 0.241 62.404 62.100 0.104 0.000 1.009 595 T CB 1.332 70.279 68.868 0.132 0.000 1.118 595 T HN 2.057 nan 8.240 nan 0.000 0.497 596 C N 1.227 120.519 119.300 -0.013 0.000 3.311 596 C HA 0.855 5.334 4.460 0.032 0.000 0.325 596 C C -1.444 173.515 174.990 -0.052 0.000 1.352 596 C CA -1.134 57.880 59.018 -0.007 0.000 1.308 596 C CB -0.273 27.504 27.740 0.063 0.000 1.619 596 C HN 0.887 nan 8.230 nan 0.000 0.469 597 L N 1.126 122.317 121.223 -0.053 0.000 2.298 597 L HA 0.842 5.201 4.340 0.032 0.000 0.268 597 L C 0.050 176.887 176.870 -0.055 0.000 1.010 597 L CA -0.789 54.008 54.840 -0.072 0.000 0.812 597 L CB 1.149 43.140 42.059 -0.113 0.000 1.331 597 L HN 0.703 nan 8.230 nan 0.000 0.450 598 R N 0.280 120.746 120.500 -0.056 0.000 2.523 598 R HA 0.467 4.826 4.340 0.032 0.000 0.278 598 R C -0.958 175.324 176.300 -0.030 0.000 1.150 598 R CA -0.489 55.594 56.100 -0.028 0.000 0.987 598 R CB 1.987 32.282 30.300 -0.009 0.000 1.232 598 R HN 0.854 nan 8.270 nan 0.000 0.424 599 G N 0.657 109.444 108.800 -0.022 0.000 2.473 599 G HA2 0.587 4.566 3.960 0.032 0.000 0.321 599 G HA3 0.587 4.566 3.960 0.032 0.000 0.321 599 G C -1.209 173.716 174.900 0.042 0.000 1.200 599 G CA -0.088 45.010 45.100 -0.003 0.000 0.963 599 G HN 0.446 nan 8.290 nan 0.000 0.483 600 D N -0.634 119.826 120.400 0.099 0.000 2.654 600 D HA 0.089 4.749 4.640 0.032 0.000 0.231 600 D C 0.305 176.722 176.300 0.194 0.000 1.239 600 D CA -0.429 53.630 54.000 0.098 0.000 0.790 600 D CB 2.036 42.862 40.800 0.043 0.000 1.480 600 D HN 0.301 nan 8.370 nan 0.000 0.442 601 E N 0.115 120.393 120.200 0.130 0.000 2.472 601 E HA -0.018 4.352 4.350 0.032 0.000 0.200 601 E C 0.899 177.590 176.600 0.151 0.000 1.046 601 E CA 0.407 56.907 56.400 0.168 0.000 0.871 601 E CB -0.027 29.724 29.700 0.085 0.000 0.806 601 E HN 0.375 nan 8.360 nan 0.000 0.533 602 S N -0.704 114.991 115.700 -0.008 0.000 2.677 602 S HA 0.433 4.922 4.470 0.032 0.000 0.304 602 S C 0.774 175.029 174.600 -0.575 0.000 1.108 602 S CA -0.838 57.202 58.200 -0.267 0.000 0.944 602 S CB 1.281 64.387 63.200 -0.156 0.000 1.127 602 S HN 0.023 nan 8.310 nan 0.000 0.511 603 L N 0.716 121.518 121.223 -0.702 0.000 2.456 603 L HA 0.135 4.494 4.340 0.032 0.000 0.224 603 L C -0.085 176.607 176.870 -0.297 0.000 1.148 603 L CA 0.350 54.827 54.840 -0.604 0.000 0.825 603 L CB -0.250 41.564 42.059 -0.408 0.000 0.937 603 L HN 0.465 nan 8.230 nan 0.000 0.450 604 V N 1.366 121.140 119.914 -0.233 0.000 2.347 604 V HA 0.257 4.397 4.120 0.032 0.000 0.280 604 V C 0.408 176.436 176.094 -0.110 0.000 1.021 604 V CA -0.638 61.564 62.300 -0.164 0.000 0.847 604 V CB 1.863 33.606 31.823 -0.133 0.000 0.990 604 V HN -0.047 nan 8.190 nan 0.000 0.444 605 I N 5.270 125.783 120.570 -0.094 0.000 2.474 605 I HA 0.433 4.622 4.170 0.032 0.000 0.287 605 I C 0.361 176.451 176.117 -0.045 0.000 1.048 605 I CA 0.015 61.286 61.300 -0.047 0.000 1.383 605 I CB 1.137 39.124 38.000 -0.023 0.000 1.412 605 I HN 0.689 nan 8.210 nan 0.000 0.531 606 K N 4.021 124.406 120.400 -0.024 0.000 2.409 606 K HA 0.353 4.692 4.320 0.032 0.000 0.252 606 K C 0.535 177.133 176.600 -0.003 0.000 1.036 606 K CA -0.944 55.334 56.287 -0.015 0.000 0.871 606 K CB 1.801 34.294 32.500 -0.012 0.000 1.374 606 K HN 0.262 nan 8.250 nan 0.000 0.459 607 K N 1.338 121.739 120.400 0.002 0.000 2.281 607 K HA -0.155 4.185 4.320 0.032 0.000 0.203 607 K C 1.023 177.628 176.600 0.008 0.000 1.046 607 K CA 1.661 57.951 56.287 0.004 0.000 0.938 607 K CB 0.291 32.793 32.500 0.003 0.000 0.737 607 K HN 0.532 nan 8.250 nan 0.000 0.458 608 E N -0.125 120.079 120.200 0.007 0.000 2.447 608 E HA 0.022 4.391 4.350 0.032 0.000 0.195 608 E C 0.093 176.702 176.600 0.015 0.000 1.028 608 E CA 0.018 56.425 56.400 0.011 0.000 0.876 608 E CB 0.055 29.759 29.700 0.007 0.000 0.885 608 E HN -0.031 nan 8.360 nan 0.000 0.500 609 S N 2.443 118.151 115.700 0.012 0.000 2.552 609 S HA 0.024 4.513 4.470 0.032 0.000 0.289 609 S C 0.180 174.793 174.600 0.021 0.000 1.304 609 S CA -0.045 58.164 58.200 0.015 0.000 1.063 609 S CB 0.491 63.697 63.200 0.010 0.000 0.848 609 S HN 0.167 nan 8.310 nan 0.000 0.499 610 D N 1.256 121.669 120.400 0.022 0.000 2.411 610 D HA 0.279 4.939 4.640 0.032 0.000 0.251 610 D C 0.283 176.591 176.300 0.013 0.000 1.201 610 D CA -0.248 53.767 54.000 0.025 0.000 0.996 610 D CB 0.484 41.296 40.800 0.020 0.000 1.101 610 D HN 0.210 nan 8.370 nan 0.000 0.504 611 I N 0.966 121.542 120.570 0.010 0.000 2.428 611 I HA 0.147 4.337 4.170 0.032 0.000 0.296 611 I C 0.487 176.569 176.117 -0.057 0.000 0.985 611 I CA -0.323 60.967 61.300 -0.016 0.000 1.260 611 I CB 1.014 39.009 38.000 -0.008 0.000 1.389 611 I HN 0.090 nan 8.210 nan 0.000 0.484 612 E N 6.248 126.410 120.200 -0.064 0.000 2.187 612 E HA 0.398 4.767 4.350 0.032 0.000 0.268 612 E C -2.428 174.086 176.600 -0.143 0.000 0.896 612 E CA -1.987 54.380 56.400 -0.055 0.000 0.766 612 E CB 1.814 31.566 29.700 0.088 0.000 1.142 612 E HN 0.205 nan 8.360 nan 0.000 0.408 613 P HA 0.028 nan 4.420 nan 0.000 0.263 613 P C -0.620 176.532 177.300 -0.247 0.000 1.195 613 P CA -0.083 62.652 63.100 -0.609 0.000 0.762 613 P CB 0.324 31.028 31.700 -1.660 0.000 0.799 614 L N 5.484 126.608 121.223 -0.164 0.000 2.330 614 L HA 0.650 5.009 4.340 0.032 0.000 0.271 614 L C -0.726 176.091 176.870 -0.089 0.000 1.013 614 L CA -0.444 54.365 54.840 -0.052 0.000 0.816 614 L CB 1.069 43.098 42.059 -0.050 0.000 1.287 614 L HN 0.302 nan 8.230 nan 0.000 0.435 615 I N 0.000 120.528 120.570 -0.070 0.000 2.984 615 I HA 0.000 4.189 4.170 0.032 0.000 0.288 615 I CA 0.000 61.193 61.300 -0.179 0.000 1.566 615 I CB 0.000 37.887 38.000 -0.189 0.000 1.214 615 I HN 0.000 nan 8.210 nan 0.000 0.494