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 1hr9_1_E DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGSXXXXX XXXXMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNS 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.663 177.584 0.132 0.000 1.274 14 A CA 0.000 52.148 52.037 0.186 0.000 0.836 14 A CB 0.000 19.039 19.000 0.064 0.000 0.831 15 R N -0.603 119.939 120.500 0.071 0.000 2.055 15 R HA -0.007 4.333 4.340 -0.000 0.000 0.228 15 R C 2.038 178.364 176.300 0.042 0.000 1.143 15 R CA 2.174 58.302 56.100 0.047 0.000 0.945 15 R CB -0.588 29.729 30.300 0.027 0.000 0.841 15 R HN 0.717 nan 8.270 nan 0.000 0.429 16 T N 1.078 115.653 114.554 0.036 0.000 2.851 16 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 16 T C 1.156 175.883 174.700 0.045 0.000 1.043 16 T CA 1.055 63.173 62.100 0.030 0.000 1.140 16 T CB -0.277 68.602 68.868 0.018 0.000 0.872 16 T HN 0.215 nan 8.240 nan 0.000 0.446 17 D N 1.463 121.901 120.400 0.063 0.000 2.157 17 D HA -0.195 4.444 4.640 -0.000 0.000 0.191 17 D C 1.234 177.601 176.300 0.112 0.000 1.004 17 D CA 1.584 55.638 54.000 0.090 0.000 0.854 17 D CB -0.392 40.486 40.800 0.130 0.000 0.936 17 D HN 0.419 nan 8.370 nan 0.000 0.446 18 N N -1.593 117.176 118.700 0.114 0.000 2.862 18 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 18 N C -0.814 174.767 175.510 0.118 0.000 1.116 18 N CA 0.182 53.281 53.050 0.082 0.000 0.727 18 N CB -2.114 36.408 38.487 0.058 0.000 1.083 18 N HN 0.158 nan 8.380 nan 0.000 0.555 19 F N 1.849 121.804 119.950 0.008 0.000 2.472 19 F HA 0.448 4.975 4.527 -0.000 0.000 0.364 19 F C 0.309 176.096 175.800 -0.022 0.000 1.090 19 F CA 0.052 58.062 58.000 0.017 0.000 1.188 19 F CB 0.448 39.461 39.000 0.021 0.000 1.105 19 F HN 0.055 nan 8.300 nan 0.000 0.536 20 K N 6.586 126.556 120.400 -0.716 0.000 2.371 20 K HA 0.664 4.984 4.320 -0.000 0.000 0.251 20 K C -1.915 174.153 176.600 -0.885 0.000 0.934 20 K CA -1.177 54.607 56.287 -0.839 0.000 0.798 20 K CB 2.549 34.546 32.500 -0.838 0.000 1.204 20 K HN 0.587 nan 8.250 nan 0.000 0.427 21 L N 1.438 122.246 121.223 -0.692 0.000 2.439 21 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 21 L C -1.117 175.721 176.870 -0.054 0.000 0.972 21 L CA 0.146 54.828 54.840 -0.264 0.000 0.836 21 L CB 1.810 43.725 42.059 -0.240 0.000 1.255 21 L HN 0.822 nan 8.230 nan 0.000 0.404 22 S N 2.019 117.801 115.700 0.137 0.000 2.851 22 S HA 0.926 5.396 4.470 -0.000 0.000 0.317 22 S C -0.724 173.930 174.600 0.091 0.000 1.144 22 S CA -0.832 57.437 58.200 0.115 0.000 0.862 22 S CB 1.705 65.025 63.200 0.201 0.000 1.259 22 S HN 0.579 nan 8.310 nan 0.000 0.564 23 S N -0.006 115.733 115.700 0.065 0.000 2.569 23 S HA 0.606 5.076 4.470 -0.000 0.000 0.280 23 S C -0.857 173.766 174.600 0.038 0.000 1.111 23 S CA -0.836 57.394 58.200 0.049 0.000 0.887 23 S CB 0.977 64.197 63.200 0.034 0.000 1.095 23 S HN 0.605 nan 8.310 nan 0.000 0.476 24 L N 1.579 122.824 121.223 0.037 0.000 2.416 24 L HA 0.464 4.804 4.340 -0.000 0.000 0.262 24 L C 1.683 178.563 176.870 0.018 0.000 1.093 24 L CA -0.683 54.176 54.840 0.031 0.000 0.801 24 L CB 0.514 42.602 42.059 0.048 0.000 1.191 24 L HN 0.922 nan 8.230 nan 0.000 0.459 25 A N 1.518 124.347 122.820 0.016 0.000 1.978 25 A HA -0.207 4.112 4.320 -0.000 0.000 0.220 25 A C 1.590 179.171 177.584 -0.005 0.000 1.170 25 A CA 1.984 54.026 52.037 0.008 0.000 0.636 25 A CB -0.813 18.194 19.000 0.011 0.000 0.810 25 A HN 0.936 nan 8.150 nan 0.000 0.448 26 N N -1.283 117.411 118.700 -0.011 0.000 2.461 26 N HA 0.242 4.982 4.740 -0.000 0.000 0.188 26 N C 1.003 176.455 175.510 -0.096 0.000 1.134 26 N CA 1.318 54.336 53.050 -0.054 0.000 0.878 26 N CB -0.273 38.178 38.487 -0.060 0.000 0.972 26 N HN 0.802 nan 8.380 nan 0.000 0.456 27 G N -0.778 107.987 108.800 -0.057 0.000 2.195 27 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.224 27 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.224 27 G C -0.354 174.516 174.900 -0.050 0.000 0.990 27 G CA 0.036 45.097 45.100 -0.065 0.000 0.639 27 G HN 0.436 nan 8.290 nan 0.000 0.514 28 L N 2.221 123.426 121.223 -0.030 0.000 2.477 28 L HA 0.517 4.857 4.340 -0.000 0.000 0.272 28 L C 0.624 177.530 176.870 0.059 0.000 1.157 28 L CA 0.076 54.931 54.840 0.024 0.000 0.889 28 L CB 0.198 42.316 42.059 0.097 0.000 1.158 28 L HN 0.198 nan 8.230 nan 0.000 0.473 29 K N 4.119 124.560 120.400 0.069 0.000 2.234 29 K HA 0.466 4.785 4.320 -0.000 0.000 0.282 29 K C -1.028 175.653 176.600 0.134 0.000 1.039 29 K CA -0.610 55.731 56.287 0.090 0.000 0.928 29 K CB 1.389 33.938 32.500 0.082 0.000 1.039 29 K HN 0.414 nan 8.250 nan 0.000 0.470 30 V N 2.370 122.369 119.914 0.143 0.000 2.384 30 V HA 0.546 4.666 4.120 -0.000 0.000 0.287 30 V C -0.517 175.708 176.094 0.218 0.000 1.020 30 V CA -0.796 61.615 62.300 0.184 0.000 0.850 30 V CB 1.340 33.214 31.823 0.085 0.000 0.987 30 V HN 0.892 nan 8.190 nan 0.000 0.436 31 A N 3.710 126.702 122.820 0.286 0.000 2.374 31 A HA 0.935 5.255 4.320 -0.000 0.000 0.305 31 A C -0.105 177.702 177.584 0.372 0.000 1.053 31 A CA -0.479 51.731 52.037 0.288 0.000 0.726 31 A CB 1.787 20.982 19.000 0.325 0.000 1.229 31 A HN 0.880 nan 8.150 nan 0.000 0.431 32 T N -0.685 114.060 114.554 0.318 0.000 2.907 32 T HA 0.881 5.231 4.350 -0.000 0.000 0.292 32 T C -0.276 174.591 174.700 0.279 0.000 1.043 32 T CA -0.173 62.120 62.100 0.322 0.000 1.003 32 T CB 1.545 70.576 68.868 0.271 0.000 1.084 32 T HN 1.786 nan 8.240 nan 0.000 0.483 33 S N 1.718 117.575 115.700 0.262 0.000 2.570 33 S HA 0.734 5.204 4.470 -0.000 0.000 0.270 33 S C -0.697 173.994 174.600 0.152 0.000 1.149 33 S CA -0.843 57.500 58.200 0.239 0.000 0.837 33 S CB 1.546 64.917 63.200 0.285 0.000 1.124 33 S HN 1.287 nan 8.310 nan 0.000 0.465 34 N N -0.363 118.405 118.700 0.113 0.000 6.584 34 N HA -0.156 4.584 4.740 -0.000 0.000 0.411 34 N C -0.578 174.960 175.510 0.047 0.000 0.981 34 N CA 1.322 54.410 53.050 0.064 0.000 1.762 34 N CB -0.960 37.556 38.487 0.048 0.000 0.760 34 N HN 1.359 nan 8.380 nan 0.000 0.447 35 T N -1.511 113.052 114.554 0.015 0.000 2.949 35 T HA 0.729 5.079 4.350 -0.000 0.000 0.287 35 T C -2.717 171.970 174.700 -0.022 0.000 1.034 35 T CA -1.304 60.797 62.100 0.002 0.000 1.018 35 T CB 1.616 70.479 68.868 -0.009 0.000 1.135 35 T HN 0.341 nan 8.240 nan 0.000 0.532 36 P HA 0.365 nan 4.420 nan 0.000 0.263 36 P C 0.118 177.357 177.300 -0.101 0.000 1.175 36 P CA 0.401 63.478 63.100 -0.037 0.000 0.761 36 P CB 0.171 31.859 31.700 -0.020 0.000 0.794 37 G N 0.882 109.599 108.800 -0.137 0.000 3.135 37 G HA2 0.172 4.132 3.960 -0.000 0.000 0.278 37 G HA3 0.172 4.132 3.960 -0.000 0.000 0.278 37 G C 0.351 175.105 174.900 -0.243 0.000 1.302 37 G CA -0.269 44.661 45.100 -0.282 0.000 0.880 37 G HN 0.479 nan 8.290 nan 0.000 0.574 38 H N -0.789 118.213 119.070 -0.113 0.000 2.491 38 H HA 0.095 4.651 4.556 -0.000 0.000 0.290 38 H C 0.489 175.947 175.328 0.216 0.000 1.050 38 H CA 1.567 57.647 56.048 0.053 0.000 1.309 38 H CB -0.139 29.691 29.762 0.113 0.000 1.392 38 H HN 0.357 nan 8.280 nan 0.000 0.554 39 F N -2.341 117.721 119.950 0.188 0.000 2.779 39 F HA 0.637 5.164 4.527 -0.000 0.000 0.316 39 F C -0.813 175.036 175.800 0.081 0.000 1.164 39 F CA -1.422 56.656 58.000 0.130 0.000 0.924 39 F CB 1.031 40.043 39.000 0.020 0.000 1.348 39 F HN -0.345 nan 8.300 nan 0.000 0.467 40 S N -0.023 115.906 115.700 0.382 0.000 2.689 40 S HA 0.968 5.438 4.470 -0.000 0.000 0.306 40 S C -0.974 173.814 174.600 0.313 0.000 1.104 40 S CA -0.450 57.908 58.200 0.264 0.000 0.973 40 S CB 1.714 65.043 63.200 0.216 0.000 1.121 40 S HN 1.104 nan 8.310 nan 0.000 0.523 41 A N 1.193 124.155 122.820 0.237 0.000 2.414 41 A HA 0.901 5.221 4.320 -0.000 0.000 0.306 41 A C -1.035 176.634 177.584 0.142 0.000 1.054 41 A CA -0.830 51.322 52.037 0.192 0.000 0.724 41 A CB 0.814 19.931 19.000 0.196 0.000 1.267 41 A HN 1.058 nan 8.150 nan 0.000 0.418 42 L N -0.762 120.499 121.223 0.063 0.000 2.568 42 L HA 1.066 5.406 4.340 -0.000 0.000 0.257 42 L C -0.294 176.516 176.870 -0.099 0.000 1.024 42 L CA -0.533 54.237 54.840 -0.117 0.000 0.854 42 L CB 1.975 43.917 42.059 -0.195 0.000 1.460 42 L HN 1.458 nan 8.230 nan 0.000 0.409 43 G N 0.928 109.612 108.800 -0.194 0.000 2.519 43 G HA2 0.512 4.472 3.960 -0.000 0.000 0.292 43 G HA3 0.512 4.472 3.960 -0.000 0.000 0.292 43 G C -2.043 172.703 174.900 -0.257 0.000 1.507 43 G CA -0.903 44.080 45.100 -0.195 0.000 0.806 43 G HN 0.661 nan 8.290 nan 0.000 0.523 44 L N 0.550 121.581 121.223 -0.320 0.000 2.309 44 L HA 0.573 4.913 4.340 -0.000 0.000 0.282 44 L C -1.042 175.618 176.870 -0.350 0.000 1.036 44 L CA -0.922 53.808 54.840 -0.184 0.000 0.806 44 L CB 1.515 43.477 42.059 -0.161 0.000 1.220 44 L HN 0.516 nan 8.230 nan 0.000 0.429 45 Y N 3.463 123.793 120.300 0.050 0.000 2.331 45 Y HA 0.527 5.077 4.550 -0.000 0.000 0.334 45 Y C 0.009 175.921 175.900 0.021 0.000 0.960 45 Y CA -0.545 57.584 58.100 0.050 0.000 1.130 45 Y CB 1.434 39.913 38.460 0.031 0.000 1.164 45 Y HN 0.341 nan 8.280 nan 0.000 0.458 46 I N 2.551 123.174 120.570 0.088 0.000 2.437 46 I HA 0.187 4.357 4.170 -0.000 0.000 0.298 46 I C -0.222 175.907 176.117 0.019 0.000 0.984 46 I CA -0.754 60.542 61.300 -0.006 0.000 1.214 46 I CB 1.452 39.345 38.000 -0.179 0.000 1.365 46 I HN 0.530 nan 8.210 nan 0.000 0.469 47 D N 5.479 125.872 120.400 -0.013 0.000 2.558 47 D HA 0.499 5.139 4.640 -0.000 0.000 0.221 47 D C -0.287 175.923 176.300 -0.150 0.000 1.143 47 D CA 0.127 54.116 54.000 -0.019 0.000 1.010 47 D CB 0.179 40.959 40.800 -0.035 0.000 1.068 47 D HN 0.631 nan 8.370 nan 0.000 0.511 48 A N 0.954 123.740 122.820 -0.055 0.000 2.681 48 A HA 1.022 5.342 4.320 -0.000 0.000 0.278 48 A C 0.269 177.968 177.584 0.192 0.000 1.272 48 A CA -0.203 51.738 52.037 -0.160 0.000 0.750 48 A CB 1.252 20.148 19.000 -0.173 0.000 1.351 48 A HN 0.704 nan 8.150 nan 0.000 0.514 49 G N -2.136 106.784 108.800 0.201 0.000 2.351 49 G HA2 0.457 4.417 3.960 -0.000 0.000 0.353 49 G HA3 0.457 4.417 3.960 -0.000 0.000 0.353 49 G C 0.512 175.432 174.900 0.033 0.000 1.358 49 G CA 0.603 45.762 45.100 0.100 0.000 0.995 49 G HN 1.976 nan 8.290 nan 0.000 0.611 50 S N -0.545 115.114 115.700 -0.068 0.000 2.469 50 S HA -0.166 4.304 4.470 -0.000 0.000 0.238 50 S C 2.044 176.526 174.600 -0.197 0.000 0.998 50 S CA 1.612 59.757 58.200 -0.091 0.000 0.957 50 S CB -0.286 62.840 63.200 -0.125 0.000 0.764 50 S HN 1.217 nan 8.310 nan 0.000 0.514 51 R N -0.002 120.247 120.500 -0.417 0.000 2.328 51 R HA 0.104 4.444 4.340 -0.000 0.000 0.207 51 R C 0.441 176.375 176.300 -0.610 0.000 1.056 51 R CA 0.941 56.683 56.100 -0.595 0.000 1.016 51 R CB -0.559 29.236 30.300 -0.841 0.000 0.872 51 R HN 0.506 nan 8.270 nan 0.000 0.471 52 F N 0.658 120.540 119.950 -0.114 0.000 2.661 52 F HA 0.357 4.884 4.527 -0.000 0.000 0.306 52 F C 1.169 176.997 175.800 0.047 0.000 1.094 52 F CA -0.638 57.315 58.000 -0.078 0.000 1.254 52 F CB 0.497 39.303 39.000 -0.323 0.000 1.040 52 F HN 0.004 nan 8.300 nan 0.000 0.562 53 E N 0.643 120.953 120.200 0.183 0.000 2.285 53 E HA 0.158 4.508 4.350 -0.000 0.000 0.194 53 E C 1.787 178.484 176.600 0.162 0.000 0.997 53 E CA 0.497 57.035 56.400 0.229 0.000 0.845 53 E CB -0.129 29.660 29.700 0.148 0.000 0.782 53 E HN 0.385 nan 8.360 nan 0.000 0.491 54 G N 1.304 110.167 108.800 0.105 0.000 2.601 54 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.261 54 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.261 54 G C 0.384 175.311 174.900 0.044 0.000 1.289 54 G CA 0.388 45.534 45.100 0.077 0.000 0.920 54 G HN 0.269 nan 8.290 nan 0.000 0.571 55 R N 0.226 120.746 120.500 0.032 0.000 2.223 55 R HA 0.132 4.472 4.340 -0.000 0.000 0.198 55 R C 2.512 178.797 176.300 -0.024 0.000 0.984 55 R CA 0.699 56.802 56.100 0.005 0.000 1.018 55 R CB -0.164 30.139 30.300 0.006 0.000 0.945 55 R HN 0.557 nan 8.270 nan 0.000 0.479 56 N N 0.743 119.437 118.700 -0.011 0.000 2.142 56 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 56 N C 1.183 176.579 175.510 -0.190 0.000 1.023 56 N CA 1.073 54.074 53.050 -0.083 0.000 0.852 56 N CB 0.179 38.684 38.487 0.031 0.000 0.998 56 N HN 0.197 nan 8.380 nan 0.000 0.424 57 L N 0.810 122.023 121.223 -0.017 0.000 2.741 57 L HA 0.202 4.542 4.340 -0.000 0.000 0.237 57 L C 0.294 177.179 176.870 0.024 0.000 1.178 57 L CA -0.434 54.431 54.840 0.043 0.000 0.973 57 L CB 0.078 42.316 42.059 0.298 0.000 1.255 57 L HN -0.147 nan 8.230 nan 0.000 0.498 58 K N 1.657 122.044 120.400 -0.022 0.000 2.504 58 K HA 0.110 4.430 4.320 -0.000 0.000 0.278 58 K C 1.181 177.764 176.600 -0.029 0.000 1.025 58 K CA 1.091 57.367 56.287 -0.018 0.000 1.093 58 K CB 0.012 32.495 32.500 -0.029 0.000 0.873 58 K HN 0.320 nan 8.250 nan 0.000 0.483 59 G N 2.704 111.493 108.800 -0.019 0.000 2.225 59 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 59 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 59 G C 1.420 176.297 174.900 -0.038 0.000 0.988 59 G CA 0.218 45.311 45.100 -0.011 0.000 0.625 59 G HN 0.644 nan 8.290 nan 0.000 0.527 60 C N 0.841 120.078 119.300 -0.105 0.000 2.446 60 C HA 0.053 4.512 4.460 -0.000 0.000 0.277 60 C C 3.058 177.808 174.990 -0.400 0.000 1.275 60 C CA 2.151 61.017 59.018 -0.253 0.000 1.727 60 C CB -1.284 26.250 27.740 -0.342 0.000 2.010 60 C HN 0.662 nan 8.230 nan 0.000 0.486 61 T N -0.627 113.694 114.554 -0.389 0.000 2.720 61 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 61 T C 1.627 176.277 174.700 -0.082 0.000 1.037 61 T CA 2.152 64.099 62.100 -0.255 0.000 1.144 61 T CB -0.478 68.371 68.868 -0.033 0.000 0.864 61 T HN 0.675 nan 8.240 nan 0.000 0.444 62 H N 1.094 120.085 119.070 -0.132 0.000 2.299 62 H HA 0.054 4.610 4.556 -0.000 0.000 0.302 62 H C 2.091 177.367 175.328 -0.087 0.000 1.078 62 H CA 1.145 57.136 56.048 -0.095 0.000 1.323 62 H CB -0.487 29.229 29.762 -0.077 0.000 1.381 62 H HN 0.137 nan 8.280 nan 0.000 0.498 63 I N 0.409 120.885 120.570 -0.156 0.000 2.264 63 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 63 I C 2.483 178.493 176.117 -0.179 0.000 1.111 63 I CA 1.103 62.286 61.300 -0.195 0.000 1.382 63 I CB -1.041 36.899 38.000 -0.099 0.000 1.060 63 I HN 0.341 nan 8.210 nan 0.000 0.418 64 L N 0.740 121.866 121.223 -0.162 0.000 2.056 64 L HA -0.239 4.101 4.340 -0.000 0.000 0.207 64 L C 2.245 179.065 176.870 -0.083 0.000 1.078 64 L CA 1.891 56.664 54.840 -0.113 0.000 0.749 64 L CB -0.620 41.379 42.059 -0.101 0.000 0.901 64 L HN 0.332 nan 8.230 nan 0.000 0.433 65 D N -0.507 119.819 120.400 -0.122 0.000 2.224 65 D HA -0.231 4.409 4.640 -0.000 0.000 0.205 65 D C 2.146 178.355 176.300 -0.152 0.000 0.965 65 D CA 0.857 54.768 54.000 -0.148 0.000 0.852 65 D CB -0.022 40.690 40.800 -0.147 0.000 0.947 65 D HN -0.062 nan 8.370 nan 0.000 0.494 66 R N -0.920 119.446 120.500 -0.224 0.000 2.276 66 R HA 0.232 4.572 4.340 -0.000 0.000 0.203 66 R C 1.151 177.401 176.300 -0.084 0.000 1.017 66 R CA 0.257 56.243 56.100 -0.190 0.000 1.010 66 R CB -0.230 29.878 30.300 -0.321 0.000 0.900 66 R HN 0.200 nan 8.270 nan 0.000 0.469 67 L N -0.311 120.867 121.223 -0.074 0.000 2.607 67 L HA 0.442 4.782 4.340 -0.000 0.000 0.228 67 L C 0.059 176.933 176.870 0.008 0.000 1.123 67 L CA -0.087 54.733 54.840 -0.033 0.000 0.890 67 L CB -0.432 41.593 42.059 -0.057 0.000 1.103 67 L HN 0.037 nan 8.230 nan 0.000 0.468 68 A N -1.242 121.597 122.820 0.031 0.000 2.445 68 A HA 0.310 4.630 4.320 -0.000 0.000 0.242 68 A C 0.258 177.936 177.584 0.157 0.000 1.075 68 A CA -0.111 51.941 52.037 0.025 0.000 0.777 68 A CB -0.525 18.492 19.000 0.029 0.000 1.013 68 A HN 0.338 nan 8.150 nan 0.000 0.493 69 F N -0.965 119.059 119.950 0.124 0.000 3.093 69 F HA -0.203 4.324 4.527 -0.000 0.000 0.287 69 F C 0.974 176.793 175.800 0.032 0.000 0.882 69 F CA 1.342 59.373 58.000 0.052 0.000 1.063 69 F CB -1.676 37.361 39.000 0.062 0.000 1.097 69 F HN 0.571 nan 8.300 nan 0.000 0.604 70 K N 0.075 120.545 120.400 0.117 0.000 2.642 70 K HA 0.638 4.958 4.320 -0.000 0.000 0.273 70 K C 0.776 177.403 176.600 0.044 0.000 1.029 70 K CA 0.017 56.351 56.287 0.078 0.000 1.071 70 K CB 0.238 32.764 32.500 0.043 0.000 1.451 70 K HN 0.104 nan 8.250 nan 0.000 0.559 71 S N 0.231 115.945 115.700 0.023 0.000 2.563 71 S HA 0.152 4.622 4.470 -0.000 0.000 0.284 71 S C 0.416 175.014 174.600 -0.004 0.000 1.331 71 S CA -0.245 57.960 58.200 0.008 0.000 1.047 71 S CB 0.027 63.226 63.200 -0.002 0.000 0.859 71 S HN 0.620 nan 8.310 nan 0.000 0.514 72 T N -1.295 113.254 114.554 -0.008 0.000 2.838 72 T HA 0.490 4.840 4.350 -0.000 0.000 0.292 72 T C 0.567 175.220 174.700 -0.078 0.000 1.113 72 T CA -0.893 61.201 62.100 -0.009 0.000 1.008 72 T CB 1.171 70.064 68.868 0.041 0.000 1.259 72 T HN 0.421 nan 8.240 nan 0.000 0.520 73 E N 0.418 120.525 120.200 -0.155 0.000 2.160 73 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 73 E C 1.209 177.451 176.600 -0.598 0.000 0.991 73 E CA 1.818 57.957 56.400 -0.436 0.000 0.810 73 E CB -0.282 28.989 29.700 -0.715 0.000 0.742 73 E HN 0.824 nan 8.360 nan 0.000 0.466 74 H N -1.974 117.026 119.070 -0.117 0.000 2.755 74 H HA 0.274 4.830 4.556 -0.000 0.000 0.273 74 H C -0.401 174.893 175.328 -0.057 0.000 1.055 74 H CA -0.203 55.780 56.048 -0.109 0.000 1.191 74 H CB 1.114 30.787 29.762 -0.149 0.000 1.536 74 H HN -0.192 nan 8.280 nan 0.000 0.529 75 V N 1.508 121.442 119.914 0.033 0.000 2.623 75 V HA 0.136 4.256 4.120 -0.000 0.000 0.304 75 V C -0.166 175.932 176.094 0.006 0.000 1.054 75 V CA -1.133 61.183 62.300 0.026 0.000 0.882 75 V CB 2.413 34.255 31.823 0.033 0.000 1.002 75 V HN 0.164 nan 8.190 nan 0.000 0.424 76 E N 2.354 122.557 120.200 0.003 0.000 2.398 76 E HA 0.143 4.493 4.350 -0.000 0.000 0.263 76 E C 1.373 177.978 176.600 0.008 0.000 1.046 76 E CA 0.718 57.118 56.400 0.000 0.000 0.908 76 E CB 1.430 31.130 29.700 -0.000 0.000 0.963 76 E HN 0.831 nan 8.360 nan 0.000 0.431 77 G N 3.031 111.836 108.800 0.009 0.000 2.476 77 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 77 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 77 G C 1.511 176.424 174.900 0.022 0.000 1.164 77 G CA 1.114 46.226 45.100 0.019 0.000 0.768 77 G HN 0.503 nan 8.290 nan 0.000 0.560 78 R N 0.503 121.012 120.500 0.015 0.000 2.073 78 R HA 0.022 4.362 4.340 -0.000 0.000 0.234 78 R C 2.943 179.249 176.300 0.011 0.000 1.134 78 R CA 1.480 57.589 56.100 0.014 0.000 0.952 78 R CB -0.432 29.874 30.300 0.010 0.000 0.850 78 R HN 0.298 nan 8.270 nan 0.000 0.433 79 A N 0.898 123.723 122.820 0.008 0.000 1.908 79 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 79 A C 2.103 179.688 177.584 0.000 0.000 1.181 79 A CA 1.783 53.823 52.037 0.004 0.000 0.627 79 A CB -0.559 18.444 19.000 0.005 0.000 0.818 79 A HN 0.474 nan 8.150 nan 0.000 0.445 80 M N 0.286 119.891 119.600 0.008 0.000 2.080 80 M HA -0.070 4.410 4.480 -0.000 0.000 0.260 80 M C 2.160 178.449 176.300 -0.018 0.000 1.068 80 M CA 1.959 57.262 55.300 0.006 0.000 1.109 80 M CB -0.691 31.935 32.600 0.043 0.000 1.342 80 M HN 0.378 nan 8.290 nan 0.000 0.405 81 A N -0.188 122.637 122.820 0.008 0.000 1.845 81 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 81 A C 2.054 179.636 177.584 -0.003 0.000 1.195 81 A CA 2.131 54.175 52.037 0.012 0.000 0.616 81 A CB -1.124 17.898 19.000 0.037 0.000 0.832 81 A HN 0.686 nan 8.150 nan 0.000 0.443 82 E N -0.896 119.305 120.200 0.001 0.000 2.160 82 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 82 E C 1.984 178.578 176.600 -0.011 0.000 0.991 82 E CA 1.562 57.963 56.400 0.001 0.000 0.810 82 E CB -0.309 29.394 29.700 0.004 0.000 0.742 82 E HN 0.637 nan 8.360 nan 0.000 0.466 83 T N 1.170 115.708 114.554 -0.027 0.000 2.904 83 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 83 T C 1.910 176.568 174.700 -0.071 0.000 1.059 83 T CA 0.526 62.604 62.100 -0.038 0.000 1.137 83 T CB -0.026 68.817 68.868 -0.042 0.000 0.879 83 T HN 0.084 nan 8.240 nan 0.000 0.467 84 L N 0.685 121.832 121.223 -0.126 0.000 2.093 84 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 84 L C 2.755 179.591 176.870 -0.056 0.000 1.085 84 L CA 1.207 55.913 54.840 -0.223 0.000 0.755 84 L CB -0.464 41.279 42.059 -0.527 0.000 0.904 84 L HN 0.304 nan 8.230 nan 0.000 0.435 85 E N 0.302 120.500 120.200 -0.003 0.000 2.058 85 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 85 E C 2.135 178.753 176.600 0.029 0.000 0.997 85 E CA 1.147 57.567 56.400 0.033 0.000 0.801 85 E CB -0.160 29.556 29.700 0.027 0.000 0.746 85 E HN 0.489 nan 8.360 nan 0.000 0.450 86 L N 0.746 121.980 121.223 0.017 0.000 2.622 86 L HA -0.071 4.269 4.340 -0.000 0.000 0.233 86 L C 1.633 178.532 176.870 0.050 0.000 1.156 86 L CA 0.288 55.146 54.840 0.030 0.000 0.866 86 L CB -0.074 41.996 42.059 0.019 0.000 0.980 86 L HN 0.115 nan 8.230 nan 0.000 0.448 87 L N -0.746 120.498 121.223 0.035 0.000 2.818 87 L HA 0.309 4.649 4.340 -0.000 0.000 0.243 87 L C 1.384 178.287 176.870 0.056 0.000 1.185 87 L CA 0.327 55.200 54.840 0.054 0.000 0.988 87 L CB 0.198 42.254 42.059 -0.004 0.000 1.292 87 L HN 0.353 nan 8.230 nan 0.000 0.519 88 G N -0.472 108.368 108.800 0.066 0.000 2.213 88 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.236 88 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.236 88 G C 0.965 175.875 174.900 0.016 0.000 0.991 88 G CA -0.042 45.081 45.100 0.039 0.000 0.629 88 G HN 0.575 nan 8.290 nan 0.000 0.517 89 G N -0.182 108.659 108.800 0.069 0.000 2.361 89 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.294 89 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.294 89 G C 0.155 175.099 174.900 0.072 0.000 1.004 89 G CA 1.165 46.375 45.100 0.183 0.000 0.870 89 G HN 1.655 nan 8.290 nan 0.000 0.510 90 N N 0.204 118.924 118.700 0.033 0.000 3.234 90 N HA 0.515 5.255 4.740 -0.000 0.000 0.272 90 N C -0.307 175.187 175.510 -0.027 0.000 1.254 90 N CA -0.725 52.271 53.050 -0.090 0.000 1.087 90 N CB -0.118 38.277 38.487 -0.154 0.000 1.356 90 N HN 0.614 nan 8.380 nan 0.000 0.511 91 Y N -0.607 119.584 120.300 -0.181 0.000 2.588 91 Y HA 0.645 5.195 4.550 -0.000 0.000 0.343 91 Y C -1.217 174.587 175.900 -0.160 0.000 1.065 91 Y CA -1.216 56.766 58.100 -0.197 0.000 1.038 91 Y CB 0.933 39.172 38.460 -0.368 0.000 1.297 91 Y HN 0.305 nan 8.280 nan 0.000 0.467 92 Q N 1.043 120.843 119.800 -0.001 0.000 2.578 92 Q HA 0.605 4.945 4.340 -0.000 0.000 0.284 92 Q C -2.169 173.907 176.000 0.127 0.000 0.960 92 Q CA -0.890 54.905 55.803 -0.013 0.000 0.809 92 Q CB 1.964 30.634 28.738 -0.112 0.000 1.462 92 Q HN 1.074 nan 8.270 nan 0.000 0.392 93 C N 1.928 121.268 119.300 0.066 0.000 2.408 93 C HA 0.972 5.431 4.460 -0.000 0.000 0.321 93 C C -0.619 174.276 174.990 -0.160 0.000 1.245 93 C CA 0.690 59.604 59.018 -0.173 0.000 1.523 93 C CB 0.929 28.459 27.740 -0.349 0.000 2.178 93 C HN 0.911 nan 8.230 nan 0.000 0.488 94 T N 2.215 116.660 114.554 -0.181 0.000 2.843 94 T HA 0.879 5.229 4.350 -0.000 0.000 0.302 94 T C -0.686 173.962 174.700 -0.087 0.000 1.232 94 T CA -0.357 61.686 62.100 -0.094 0.000 1.009 94 T CB 1.520 70.359 68.868 -0.048 0.000 1.254 94 T HN 1.266 nan 8.240 nan 0.000 0.504 95 S N 0.047 115.728 115.700 -0.031 0.000 2.618 95 S HA 0.884 5.353 4.470 -0.000 0.000 0.277 95 S C -0.369 174.224 174.600 -0.010 0.000 1.138 95 S CA -0.441 57.752 58.200 -0.012 0.000 0.844 95 S CB 1.716 64.918 63.200 0.003 0.000 1.127 95 S HN 1.347 nan 8.310 nan 0.000 0.474 96 S N -0.139 115.553 115.700 -0.014 0.000 2.971 96 S HA 0.489 4.959 4.470 -0.000 0.000 0.320 96 S C 0.698 175.247 174.600 -0.086 0.000 1.111 96 S CA -0.840 57.333 58.200 -0.045 0.000 0.870 96 S CB 0.776 63.973 63.200 -0.004 0.000 1.331 96 S HN 0.757 nan 8.310 nan 0.000 0.635 97 R N 0.392 120.806 120.500 -0.143 0.000 2.115 97 R HA 0.171 4.511 4.340 -0.000 0.000 0.230 97 R C 0.947 177.096 176.300 -0.252 0.000 1.111 97 R CA 1.219 57.167 56.100 -0.252 0.000 0.976 97 R CB -0.159 29.900 30.300 -0.402 0.000 0.870 97 R HN 0.611 nan 8.270 nan 0.000 0.445 98 E N 0.472 120.599 120.200 -0.121 0.000 2.660 98 E HA 0.089 4.439 4.350 -0.000 0.000 0.216 98 E C -0.657 175.986 176.600 0.072 0.000 0.986 98 E CA -0.235 56.136 56.400 -0.047 0.000 1.037 98 E CB 0.511 30.221 29.700 0.017 0.000 1.041 98 E HN 0.336 nan 8.360 nan 0.000 0.480 99 N N 0.410 119.147 118.700 0.063 0.000 2.823 99 N HA 0.290 5.030 4.740 -0.000 0.000 0.251 99 N C -1.657 173.891 175.510 0.063 0.000 1.392 99 N CA -0.758 52.346 53.050 0.090 0.000 0.864 99 N CB 1.949 40.501 38.487 0.107 0.000 1.481 99 N HN -0.073 nan 8.380 nan 0.000 0.508 100 L N 0.624 121.883 121.223 0.059 0.000 2.482 100 L HA 0.616 4.956 4.340 -0.000 0.000 0.269 100 L C -1.368 175.486 176.870 -0.026 0.000 0.967 100 L CA -0.324 54.520 54.840 0.007 0.000 0.851 100 L CB 1.340 43.432 42.059 0.055 0.000 1.242 100 L HN 0.797 nan 8.230 nan 0.000 0.404 101 M N 3.468 122.987 119.600 -0.134 0.000 2.501 101 M HA 0.570 5.050 4.480 -0.000 0.000 0.293 101 M C -1.797 174.310 176.300 -0.322 0.000 1.192 101 M CA -0.715 54.462 55.300 -0.205 0.000 0.886 101 M CB 2.380 34.884 32.600 -0.160 0.000 1.710 101 M HN 0.393 nan 8.290 nan 0.000 0.457 102 Y N 1.298 121.430 120.300 -0.279 0.000 2.345 102 Y HA 0.520 5.070 4.550 -0.000 0.000 0.331 102 Y C -0.477 175.337 175.900 -0.143 0.000 0.959 102 Y CA -0.544 57.505 58.100 -0.084 0.000 1.204 102 Y CB 1.453 39.880 38.460 -0.056 0.000 1.135 102 Y HN 0.644 nan 8.280 nan 0.000 0.477 103 Q N 1.962 121.806 119.800 0.072 0.000 2.458 103 Q HA 1.002 5.342 4.340 -0.000 0.000 0.282 103 Q C -1.298 174.757 176.000 0.093 0.000 1.106 103 Q CA -1.684 54.141 55.803 0.037 0.000 0.814 103 Q CB 3.251 32.007 28.738 0.031 0.000 1.425 103 Q HN 0.647 nan 8.270 nan 0.000 0.437 104 A N 0.688 123.549 122.820 0.068 0.000 2.590 104 A HA 0.607 4.927 4.320 -0.000 0.000 0.294 104 A C -1.429 176.177 177.584 0.036 0.000 1.046 104 A CA -0.604 51.465 52.037 0.054 0.000 0.684 104 A CB 1.429 20.474 19.000 0.074 0.000 1.279 104 A HN 0.746 nan 8.150 nan 0.000 0.415 105 S N 0.194 115.884 115.700 -0.017 0.000 2.473 105 S HA 0.858 5.328 4.470 -0.000 0.000 0.307 105 S C -0.159 174.350 174.600 -0.152 0.000 1.094 105 S CA 0.016 58.200 58.200 -0.028 0.000 1.070 105 S CB 0.950 64.103 63.200 -0.077 0.000 1.019 105 S HN 2.243 nan 8.310 nan 0.000 0.480 106 V N -0.408 119.454 119.914 -0.085 0.000 3.160 106 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 106 V C -0.885 175.139 176.094 -0.117 0.000 1.181 106 V CA -1.451 60.746 62.300 -0.171 0.000 1.047 106 V CB 0.669 32.483 31.823 -0.015 0.000 1.068 106 V HN 0.743 nan 8.190 nan 0.000 0.441 107 F N 2.266 122.276 119.950 0.100 0.000 2.529 107 F HA 0.357 4.884 4.527 -0.000 0.000 0.365 107 F C 2.012 177.898 175.800 0.144 0.000 1.102 107 F CA 0.014 58.099 58.000 0.142 0.000 1.271 107 F CB 0.029 39.084 39.000 0.092 0.000 1.120 107 F HN 0.596 nan 8.300 nan 0.000 0.579 108 N N 1.843 120.751 118.700 0.346 0.000 2.089 108 N HA -0.270 4.470 4.740 -0.000 0.000 0.198 108 N C 1.856 177.473 175.510 0.179 0.000 1.017 108 N CA 1.872 55.057 53.050 0.226 0.000 0.880 108 N CB -0.329 38.270 38.487 0.186 0.000 1.042 108 N HN 0.690 nan 8.380 nan 0.000 0.446 109 Q N 0.606 120.512 119.800 0.177 0.000 2.436 109 Q HA -0.071 4.269 4.340 -0.000 0.000 0.209 109 Q C -0.160 175.917 176.000 0.128 0.000 0.965 109 Q CA 1.142 57.022 55.803 0.128 0.000 0.910 109 Q CB 0.019 28.818 28.738 0.101 0.000 0.980 109 Q HN 0.280 nan 8.270 nan 0.000 0.491 110 D N 0.696 121.190 120.400 0.156 0.000 2.340 110 D HA 0.091 4.731 4.640 -0.000 0.000 0.217 110 D C 1.672 178.041 176.300 0.116 0.000 1.081 110 D CA -0.032 54.044 54.000 0.126 0.000 0.842 110 D CB 0.559 41.440 40.800 0.135 0.000 0.934 110 D HN 0.027 nan 8.370 nan 0.000 0.511 111 V N 1.191 121.189 119.914 0.141 0.000 2.282 111 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 111 V C 2.616 178.808 176.094 0.163 0.000 1.057 111 V CA 2.322 64.725 62.300 0.171 0.000 1.032 111 V CB -0.903 31.043 31.823 0.205 0.000 0.645 111 V HN 0.298 nan 8.190 nan 0.000 0.447 112 G N -0.395 108.493 108.800 0.147 0.000 2.446 112 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 112 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 112 G C 1.600 176.539 174.900 0.066 0.000 1.168 112 G CA 1.255 46.456 45.100 0.169 0.000 0.771 112 G HN 0.460 nan 8.290 nan 0.000 0.551 113 K N -0.087 120.335 120.400 0.038 0.000 2.057 113 K HA 0.014 4.334 4.320 -0.000 0.000 0.207 113 K C 2.368 178.920 176.600 -0.081 0.000 1.049 113 K CA 1.389 57.656 56.287 -0.034 0.000 0.931 113 K CB -0.443 32.058 32.500 0.002 0.000 0.714 113 K HN 0.262 nan 8.250 nan 0.000 0.440 114 M N 0.130 119.712 119.600 -0.029 0.000 2.086 114 M HA -0.058 4.422 4.480 -0.000 0.000 0.261 114 M C 1.772 178.039 176.300 -0.054 0.000 1.067 114 M CA 1.372 56.648 55.300 -0.040 0.000 1.116 114 M CB -0.611 31.989 32.600 0.000 0.000 1.348 114 M HN 0.252 nan 8.290 nan 0.000 0.407 115 L N 0.296 121.504 121.223 -0.026 0.000 2.079 115 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 115 L C 2.379 179.096 176.870 -0.256 0.000 1.081 115 L CA 2.256 57.075 54.840 -0.036 0.000 0.752 115 L CB -1.139 41.013 42.059 0.156 0.000 0.896 115 L HN 0.673 nan 8.230 nan 0.000 0.433 116 Q N -0.753 118.714 119.800 -0.556 0.000 2.050 116 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 116 Q C 2.239 178.014 176.000 -0.375 0.000 0.980 116 Q CA 2.081 57.327 55.803 -0.929 0.000 0.840 116 Q CB -0.243 27.871 28.738 -1.040 0.000 0.898 116 Q HN 0.626 nan 8.270 nan 0.000 0.424 117 L N 0.017 121.113 121.223 -0.212 0.000 2.017 117 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 117 L C 2.700 179.542 176.870 -0.046 0.000 1.073 117 L CA 1.344 56.139 54.840 -0.075 0.000 0.745 117 L CB -0.415 41.629 42.059 -0.024 0.000 0.894 117 L HN 0.406 nan 8.230 nan 0.000 0.432 118 M N -0.965 118.613 119.600 -0.037 0.000 2.267 118 M HA -0.182 4.298 4.480 -0.000 0.000 0.263 118 M C 2.377 178.489 176.300 -0.312 0.000 1.063 118 M CA 1.402 56.619 55.300 -0.138 0.000 1.090 118 M CB -0.336 32.212 32.600 -0.086 0.000 1.392 118 M HN 0.182 nan 8.290 nan 0.000 0.422 119 S N -0.027 115.529 115.700 -0.240 0.000 2.355 119 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 119 S C 1.781 176.233 174.600 -0.247 0.000 1.031 119 S CA 0.911 58.950 58.200 -0.268 0.000 0.993 119 S CB -0.227 62.885 63.200 -0.147 0.000 0.859 119 S HN 0.417 nan 8.310 nan 0.000 0.453 120 E N 0.805 120.952 120.200 -0.088 0.000 2.097 120 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 120 E C 2.292 178.854 176.600 -0.063 0.000 1.000 120 E CA 1.290 57.737 56.400 0.079 0.000 0.804 120 E CB -0.729 29.025 29.700 0.090 0.000 0.740 120 E HN 0.431 nan 8.360 nan 0.000 0.454 121 T N 0.194 114.620 114.554 -0.212 0.000 2.904 121 T HA -0.048 4.301 4.350 -0.000 0.000 0.267 121 T C 1.919 176.417 174.700 -0.337 0.000 1.059 121 T CA 0.802 62.727 62.100 -0.293 0.000 1.137 121 T CB 0.059 68.613 68.868 -0.524 0.000 0.879 121 T HN -0.069 nan 8.240 nan 0.000 0.467 122 V N 0.739 120.373 119.914 -0.466 0.000 2.591 122 V HA 0.081 4.201 4.120 -0.000 0.000 0.249 122 V C 2.577 178.444 176.094 -0.378 0.000 1.053 122 V CA 1.459 63.525 62.300 -0.390 0.000 1.068 122 V CB -0.362 31.116 31.823 -0.574 0.000 0.689 122 V HN 0.352 nan 8.190 nan 0.000 0.462 123 R N -1.558 118.554 120.500 -0.647 0.000 2.195 123 R HA 0.204 4.544 4.340 -0.000 0.000 0.197 123 R C 0.528 176.233 176.300 -0.991 0.000 0.990 123 R CA 0.504 55.996 56.100 -1.013 0.000 1.048 123 R CB 0.310 29.621 30.300 -1.647 0.000 0.997 123 R HN 0.465 nan 8.270 nan 0.000 0.502 124 F N 1.427 121.284 119.950 -0.155 0.000 2.818 124 F HA 0.321 4.848 4.527 -0.000 0.000 0.369 124 F C -2.237 173.489 175.800 -0.124 0.000 1.327 124 F CA -2.757 55.172 58.000 -0.117 0.000 1.211 124 F CB 0.562 39.508 39.000 -0.089 0.000 1.036 124 F HN -0.225 nan 8.300 nan 0.000 0.510 125 P HA 0.049 nan 4.420 nan 0.000 0.268 125 P C 0.434 177.718 177.300 -0.026 0.000 1.205 125 P CA 0.086 63.160 63.100 -0.043 0.000 0.771 125 P CB 1.537 33.180 31.700 -0.095 0.000 0.858 126 K N 2.111 122.496 120.400 -0.025 0.000 2.186 126 K HA 0.099 4.419 4.320 -0.000 0.000 0.202 126 K C 0.738 177.321 176.600 -0.029 0.000 1.052 126 K CA 0.168 56.439 56.287 -0.027 0.000 0.965 126 K CB -0.345 32.138 32.500 -0.029 0.000 0.746 126 K HN 0.468 nan 8.250 nan 0.000 0.457 127 I N 3.197 123.749 120.570 -0.031 0.000 6.399 127 I HA -0.269 3.901 4.170 -0.000 0.000 0.126 127 I C 0.389 176.493 176.117 -0.022 0.000 1.513 127 I CA 0.297 61.579 61.300 -0.031 0.000 2.479 127 I CB -1.879 36.095 38.000 -0.042 0.000 2.875 127 I HN 0.310 nan 8.210 nan 0.000 0.285 128 T N -0.798 113.745 114.554 -0.018 0.000 2.849 128 T HA 0.268 4.618 4.350 -0.000 0.000 0.284 128 T C 1.228 175.920 174.700 -0.012 0.000 1.004 128 T CA -0.277 61.815 62.100 -0.014 0.000 1.021 128 T CB 1.750 70.611 68.868 -0.013 0.000 1.013 128 T HN 0.481 nan 8.240 nan 0.000 0.527 129 E N 0.189 120.384 120.200 -0.009 0.000 2.097 129 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 129 E C 2.138 178.733 176.600 -0.009 0.000 1.000 129 E CA 1.484 57.880 56.400 -0.007 0.000 0.804 129 E CB -0.097 29.600 29.700 -0.006 0.000 0.740 129 E HN 0.791 nan 8.360 nan 0.000 0.454 130 Q N 0.634 120.428 119.800 -0.010 0.000 2.079 130 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 130 Q C 1.891 177.883 176.000 -0.013 0.000 0.974 130 Q CA 1.235 57.032 55.803 -0.010 0.000 0.840 130 Q CB 0.131 28.864 28.738 -0.008 0.000 0.898 130 Q HN 0.322 nan 8.270 nan 0.000 0.430 131 E N 0.247 120.440 120.200 -0.012 0.000 2.077 131 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 131 E C 2.027 178.615 176.600 -0.021 0.000 0.989 131 E CA 0.965 57.357 56.400 -0.013 0.000 0.800 131 E CB -0.108 29.586 29.700 -0.011 0.000 0.746 131 E HN 0.241 nan 8.360 nan 0.000 0.452 132 L N 1.275 122.485 121.223 -0.021 0.000 2.056 132 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 132 L C 2.353 179.208 176.870 -0.025 0.000 1.078 132 L CA 1.745 56.571 54.840 -0.023 0.000 0.749 132 L CB -0.528 41.523 42.059 -0.014 0.000 0.901 132 L HN -0.022 nan 8.230 nan 0.000 0.433 133 Q N 0.233 120.019 119.800 -0.022 0.000 2.061 133 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 133 Q C 2.096 178.071 176.000 -0.043 0.000 0.984 133 Q CA 2.124 57.910 55.803 -0.028 0.000 0.846 133 Q CB -0.209 28.516 28.738 -0.022 0.000 0.902 133 Q HN 0.646 nan 8.270 nan 0.000 0.421 134 E N -0.562 119.615 120.200 -0.038 0.000 2.033 134 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 134 E C 2.008 178.572 176.600 -0.059 0.000 1.011 134 E CA 1.327 57.700 56.400 -0.046 0.000 0.815 134 E CB -0.096 29.586 29.700 -0.029 0.000 0.755 134 E HN 0.332 nan 8.360 nan 0.000 0.451 135 Q N 0.866 120.635 119.800 -0.052 0.000 2.135 135 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 135 Q C 1.946 177.908 176.000 -0.064 0.000 0.981 135 Q CA 1.371 57.137 55.803 -0.063 0.000 0.856 135 Q CB -0.244 28.452 28.738 -0.071 0.000 0.902 135 Q HN 0.236 nan 8.270 nan 0.000 0.425 136 K N 0.160 120.527 120.400 -0.056 0.000 2.001 136 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 136 K C 2.106 178.657 176.600 -0.082 0.000 1.048 136 K CA 0.960 57.219 56.287 -0.047 0.000 0.932 136 K CB -0.334 32.147 32.500 -0.032 0.000 0.715 136 K HN 0.071 nan 8.250 nan 0.000 0.437 137 L N 0.938 122.087 121.223 -0.123 0.000 2.012 137 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 137 L C 2.312 178.970 176.870 -0.354 0.000 1.073 137 L CA 1.955 56.654 54.840 -0.235 0.000 0.748 137 L CB -0.893 41.033 42.059 -0.221 0.000 0.891 137 L HN 0.096 nan 8.230 nan 0.000 0.431 138 S N -0.784 114.782 115.700 -0.224 0.000 2.382 138 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 138 S C 2.157 176.726 174.600 -0.051 0.000 1.027 138 S CA 1.132 59.240 58.200 -0.154 0.000 0.991 138 S CB -0.541 62.622 63.200 -0.063 0.000 0.823 138 S HN 0.694 nan 8.310 nan 0.000 0.469 139 A N 1.109 123.914 122.820 -0.025 0.000 1.940 139 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 139 A C 2.000 179.629 177.584 0.076 0.000 1.176 139 A CA 1.683 53.761 52.037 0.068 0.000 0.631 139 A CB -0.672 18.374 19.000 0.077 0.000 0.814 139 A HN 0.728 nan 8.150 nan 0.000 0.446 140 E N -1.110 119.098 120.200 0.014 0.000 2.051 140 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 140 E C 1.910 178.651 176.600 0.235 0.000 0.991 140 E CA 1.391 57.839 56.400 0.080 0.000 0.799 140 E CB -0.352 29.358 29.700 0.017 0.000 0.748 140 E HN 0.728 nan 8.360 nan 0.000 0.449 141 Y N 1.283 121.610 120.300 0.046 0.000 2.128 141 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 141 Y C 2.306 178.236 175.900 0.050 0.000 1.154 141 Y CA 1.065 59.190 58.100 0.042 0.000 1.149 141 Y CB -0.913 37.566 38.460 0.031 0.000 0.976 141 Y HN 0.164 nan 8.280 nan 0.000 0.505 142 E N -0.112 120.221 120.200 0.221 0.000 2.085 142 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 142 E C 2.037 178.703 176.600 0.110 0.000 0.994 142 E CA 1.366 57.848 56.400 0.138 0.000 0.801 142 E CB -0.205 29.575 29.700 0.133 0.000 0.743 142 E HN 0.249 nan 8.360 nan 0.000 0.453 143 I N 1.818 122.469 120.570 0.135 0.000 2.226 143 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 143 I C 1.797 178.070 176.117 0.260 0.000 1.100 143 I CA 1.314 62.715 61.300 0.168 0.000 1.374 143 I CB -0.407 37.709 38.000 0.193 0.000 1.057 143 I HN 0.085 nan 8.210 nan 0.000 0.413 144 D N 0.296 120.824 120.400 0.213 0.000 2.144 144 D HA -0.182 4.458 4.640 -0.000 0.000 0.199 144 D C 2.169 178.565 176.300 0.160 0.000 0.984 144 D CA 1.159 55.270 54.000 0.185 0.000 0.834 144 D CB -0.127 40.750 40.800 0.127 0.000 0.955 144 D HN 0.454 nan 8.370 nan 0.000 0.465 145 E N 0.048 120.315 120.200 0.111 0.000 2.046 145 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 145 E C 2.299 178.931 176.600 0.054 0.000 0.982 145 E CA 0.366 56.804 56.400 0.065 0.000 0.800 145 E CB 0.138 29.860 29.700 0.036 0.000 0.756 145 E HN 0.028 nan 8.360 nan 0.000 0.449 146 V N 0.309 120.239 119.914 0.026 0.000 2.392 146 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 146 V C 1.430 177.461 176.094 -0.104 0.000 1.059 146 V CA 1.600 63.852 62.300 -0.081 0.000 1.051 146 V CB -0.496 31.219 31.823 -0.180 0.000 0.658 146 V HN 0.433 nan 8.190 nan 0.000 0.455 147 W N -0.927 120.362 121.300 -0.019 0.000 2.961 147 W HA 0.083 4.743 4.660 0.000 0.000 0.240 147 W C 2.060 178.583 176.519 0.007 0.000 1.305 147 W CA 0.495 57.832 57.345 -0.013 0.000 1.465 147 W CB -0.280 29.175 29.460 -0.008 0.000 1.135 147 W HN 0.251 nan 8.180 nan 0.000 0.688 148 M N -0.868 118.837 119.600 0.174 0.000 2.367 148 M HA 0.095 4.575 4.480 -0.000 0.000 0.256 148 M C 0.236 176.588 176.300 0.087 0.000 1.091 148 M CA 0.588 55.979 55.300 0.151 0.000 1.049 148 M CB 0.321 32.993 32.600 0.121 0.000 1.406 148 M HN -0.355 nan 8.290 nan 0.000 0.498 149 K N 1.169 121.578 120.400 0.014 0.000 2.299 149 K HA 0.244 4.564 4.320 -0.000 0.000 0.268 149 K C -2.139 174.417 176.600 -0.073 0.000 1.075 149 K CA -1.593 54.677 56.287 -0.027 0.000 0.936 149 K CB 1.024 33.491 32.500 -0.055 0.000 1.228 149 K HN -0.199 nan 8.250 nan 0.000 0.454 150 P HA -0.232 nan 4.420 nan 0.000 0.216 150 P C 0.324 177.509 177.300 -0.191 0.000 1.150 150 P CA 1.300 64.286 63.100 -0.190 0.000 0.843 150 P CB 0.272 31.747 31.700 -0.375 0.000 0.787 151 E N -0.733 119.389 120.200 -0.131 0.000 2.233 151 E HA -0.175 4.175 4.350 -0.000 0.000 0.199 151 E C 1.815 178.341 176.600 -0.123 0.000 1.004 151 E CA 1.059 57.398 56.400 -0.102 0.000 0.819 151 E CB -0.917 28.746 29.700 -0.061 0.000 0.738 151 E HN 0.302 nan 8.360 nan 0.000 0.478 152 L N -0.375 120.755 121.223 -0.155 0.000 2.262 152 L HA 0.008 4.348 4.340 -0.000 0.000 0.197 152 L C 2.274 178.979 176.870 -0.275 0.000 1.073 152 L CA 0.224 54.941 54.840 -0.204 0.000 0.800 152 L CB -0.344 41.585 42.059 -0.218 0.000 0.987 152 L HN 0.022 nan 8.230 nan 0.000 0.470 153 V N 0.500 120.233 119.914 -0.302 0.000 2.332 153 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 153 V C 2.574 178.521 176.094 -0.246 0.000 1.055 153 V CA 1.405 63.488 62.300 -0.362 0.000 1.038 153 V CB -0.445 31.216 31.823 -0.269 0.000 0.651 153 V HN 0.292 nan 8.190 nan 0.000 0.450 154 L N -0.205 120.906 121.223 -0.188 0.000 1.994 154 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 154 L C 0.308 177.093 176.870 -0.142 0.000 1.071 154 L CA 2.582 57.336 54.840 -0.143 0.000 0.745 154 L CB -2.678 39.300 42.059 -0.135 0.000 0.892 154 L HN 0.357 nan 8.230 nan 0.000 0.431 155 P HA -0.155 nan 4.420 nan 0.000 0.218 155 P C 1.428 178.662 177.300 -0.111 0.000 1.149 155 P CA 0.966 63.986 63.100 -0.133 0.000 0.817 155 P CB 0.173 31.794 31.700 -0.131 0.000 0.785 156 E N 0.301 120.380 120.200 -0.203 0.000 2.051 156 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 156 E C 1.873 178.405 176.600 -0.112 0.000 0.991 156 E CA 1.328 57.593 56.400 -0.225 0.000 0.799 156 E CB -1.281 28.215 29.700 -0.341 0.000 0.748 156 E HN 0.110 nan 8.360 nan 0.000 0.449 157 L N 0.034 121.196 121.223 -0.102 0.000 2.083 157 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 157 L C 2.553 179.401 176.870 -0.037 0.000 1.083 157 L CA 0.914 55.727 54.840 -0.045 0.000 0.752 157 L CB -0.559 41.477 42.059 -0.039 0.000 0.899 157 L HN 0.279 nan 8.230 nan 0.000 0.433 158 L N -0.499 120.696 121.223 -0.047 0.000 1.989 158 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 158 L C 2.469 179.317 176.870 -0.038 0.000 1.071 158 L CA 1.992 56.794 54.840 -0.063 0.000 0.749 158 L CB -0.588 41.398 42.059 -0.121 0.000 0.890 158 L HN 0.177 nan 8.230 nan 0.000 0.431 159 H N -0.986 118.029 119.070 -0.091 0.000 2.321 159 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 159 H C 2.168 177.517 175.328 0.035 0.000 1.087 159 H CA 2.113 58.165 56.048 0.007 0.000 1.319 159 H CB -0.795 28.925 29.762 -0.070 0.000 1.379 159 H HN 0.351 nan 8.280 nan 0.000 0.501 160 T N 0.148 114.763 114.554 0.102 0.000 2.737 160 T HA -0.210 4.140 4.350 -0.000 0.000 0.269 160 T C 2.270 176.969 174.700 -0.001 0.000 1.040 160 T CA 1.330 63.457 62.100 0.045 0.000 1.142 160 T CB -0.493 68.385 68.868 0.017 0.000 0.861 160 T HN 0.504 nan 8.240 nan 0.000 0.456 161 A N 1.251 124.045 122.820 -0.044 0.000 1.897 161 A HA 0.339 4.659 4.320 -0.000 0.000 0.215 161 A C 2.667 180.124 177.584 -0.213 0.000 1.181 161 A CA 1.486 53.459 52.037 -0.106 0.000 0.620 161 A CB -1.058 17.879 19.000 -0.106 0.000 0.821 161 A HN 0.486 nan 8.150 nan 0.000 0.443 162 A N -1.599 121.060 122.820 -0.268 0.000 1.978 162 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 162 A C 1.440 178.481 177.584 -0.906 0.000 1.170 162 A CA 1.507 53.173 52.037 -0.619 0.000 0.636 162 A CB -0.587 18.090 19.000 -0.538 0.000 0.810 162 A HN 0.638 nan 8.150 nan 0.000 0.448 163 Y N -1.044 119.132 120.300 -0.207 0.000 2.716 163 Y HA 0.294 4.844 4.550 -0.000 0.000 0.260 163 Y C 0.992 176.821 175.900 -0.117 0.000 1.141 163 Y CA 0.049 58.055 58.100 -0.156 0.000 1.168 163 Y CB 0.050 38.459 38.460 -0.085 0.000 1.189 163 Y HN 0.189 nan 8.280 nan 0.000 0.549 164 S N 0.545 116.218 115.700 -0.045 0.000 3.462 164 S HA -0.259 4.211 4.470 -0.000 0.000 0.370 164 S C 1.648 176.252 174.600 0.007 0.000 1.028 164 S CA 1.144 59.327 58.200 -0.029 0.000 1.119 164 S CB -1.575 61.605 63.200 -0.033 0.000 0.906 164 S HN 1.206 nan 8.310 nan 0.000 0.471 165 G N -0.617 108.198 108.800 0.025 0.000 2.168 165 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 165 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 165 G C -0.256 174.647 174.900 0.005 0.000 0.977 165 G CA 0.572 45.680 45.100 0.015 0.000 0.659 165 G HN 0.607 nan 8.290 nan 0.000 0.533 166 E N 0.242 120.454 120.200 0.021 0.000 2.222 166 E HA 0.540 4.890 4.350 -0.000 0.000 0.272 166 E C 1.542 178.093 176.600 -0.082 0.000 0.982 166 E CA 0.356 56.750 56.400 -0.010 0.000 0.842 166 E CB 1.398 31.108 29.700 0.017 0.000 1.144 166 E HN 0.826 nan 8.360 nan 0.000 0.397 167 T N -0.346 114.127 114.554 -0.134 0.000 13.493 167 T HA -0.389 3.961 4.350 -0.000 0.000 0.418 167 T C 1.604 176.074 174.700 -0.384 0.000 1.442 167 T CA 1.836 63.778 62.100 -0.264 0.000 2.346 167 T CB -1.209 67.493 68.868 -0.277 0.000 2.786 167 T HN 0.478 nan 8.240 nan 0.000 0.537 168 L N 2.107 122.979 121.223 -0.586 0.000 2.353 168 L HA 0.182 4.522 4.340 -0.000 0.000 0.220 168 L C 2.983 179.652 176.870 -0.336 0.000 1.133 168 L CA 1.400 55.836 54.840 -0.673 0.000 0.798 168 L CB -0.779 40.617 42.059 -1.106 0.000 0.922 168 L HN 0.838 nan 8.230 nan 0.000 0.445 169 G N -1.567 107.122 108.800 -0.184 0.000 2.986 169 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.213 169 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.213 169 G C 0.703 175.583 174.900 -0.034 0.000 1.156 169 G CA -0.084 45.042 45.100 0.043 0.000 0.763 169 G HN 0.200 nan 8.290 nan 0.000 0.547 170 S N 1.641 117.281 115.700 -0.099 0.000 2.537 170 S HA 0.299 4.769 4.470 -0.000 0.000 0.286 170 S C -2.292 172.250 174.600 -0.096 0.000 1.299 170 S CA -1.110 57.040 58.200 -0.083 0.000 1.067 170 S CB 0.646 63.786 63.200 -0.100 0.000 0.864 170 S HN -0.028 nan 8.310 nan 0.000 0.494 171 P HA -0.076 nan 4.420 nan 0.000 0.257 171 P C 0.341 177.572 177.300 -0.115 0.000 1.153 171 P CA 0.148 63.205 63.100 -0.071 0.000 0.762 171 P CB 0.281 31.969 31.700 -0.021 0.000 0.743 172 L N 5.246 126.366 121.223 -0.170 0.000 2.375 172 L HA 0.211 4.551 4.340 -0.000 0.000 0.215 172 L C 0.650 177.393 176.870 -0.212 0.000 1.108 172 L CA 1.081 55.797 54.840 -0.207 0.000 0.830 172 L CB -0.052 41.843 42.059 -0.273 0.000 0.959 172 L HN 0.247 nan 8.230 nan 0.000 0.457 173 I N 0.367 120.817 120.570 -0.200 0.000 2.307 173 I HA 0.108 4.278 4.170 -0.000 0.000 0.289 173 I C 0.018 176.098 176.117 -0.062 0.000 1.021 173 I CA -0.644 60.539 61.300 -0.195 0.000 1.224 173 I CB 0.814 38.638 38.000 -0.294 0.000 1.376 173 I HN 0.039 nan 8.210 nan 0.000 0.470 174 C N 9.101 128.364 119.300 -0.062 0.000 2.611 174 C HA 0.141 4.601 4.460 -0.000 0.000 0.416 174 C C -1.877 173.159 174.990 0.077 0.000 1.366 174 C CA -0.948 58.073 59.018 0.005 0.000 1.761 174 C CB -0.354 27.389 27.740 0.005 0.000 2.619 174 C HN 0.492 nan 8.230 nan 0.000 0.606 175 P HA 0.081 nan 4.420 nan 0.000 0.262 175 P C 0.818 178.153 177.300 0.058 0.000 1.199 175 P CA 0.363 63.511 63.100 0.080 0.000 0.763 175 P CB 0.251 31.974 31.700 0.039 0.000 0.790 176 R N 3.838 124.376 120.500 0.063 0.000 2.134 176 R HA -0.201 4.139 4.340 -0.000 0.000 0.248 176 R C 1.950 178.263 176.300 0.023 0.000 1.143 176 R CA 2.350 58.477 56.100 0.045 0.000 0.957 176 R CB -1.053 29.259 30.300 0.019 0.000 0.867 176 R HN 0.647 nan 8.270 nan 0.000 0.441 177 G N -0.236 108.567 108.800 0.004 0.000 2.776 177 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.209 177 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.209 177 G C 1.172 176.075 174.900 0.005 0.000 1.145 177 G CA 0.022 45.122 45.100 0.001 0.000 0.791 177 G HN 0.272 nan 8.290 nan 0.000 0.530 178 L N -0.435 120.793 121.223 0.008 0.000 2.590 178 L HA 0.352 4.692 4.340 -0.000 0.000 0.227 178 L C 2.318 179.194 176.870 0.009 0.000 1.099 178 L CA -0.140 54.701 54.840 0.002 0.000 0.872 178 L CB 0.113 42.168 42.059 -0.007 0.000 1.088 178 L HN 0.141 nan 8.230 nan 0.000 0.479 179 I N 1.078 121.659 120.570 0.018 0.000 2.226 179 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 179 I C -0.404 175.726 176.117 0.021 0.000 1.100 179 I CA 1.342 62.655 61.300 0.022 0.000 1.374 179 I CB -0.874 37.143 38.000 0.028 0.000 1.057 179 I HN 0.203 nan 8.210 nan 0.000 0.413 180 P HA -0.129 nan 4.420 nan 0.000 0.220 180 P C 1.432 178.756 177.300 0.039 0.000 1.148 180 P CA 1.379 64.492 63.100 0.021 0.000 0.803 180 P CB -0.088 31.622 31.700 0.016 0.000 0.782 181 S N -1.651 114.077 115.700 0.047 0.000 2.593 181 S HA 0.094 4.564 4.470 -0.000 0.000 0.217 181 S C 0.758 175.442 174.600 0.140 0.000 0.966 181 S CA -0.225 58.025 58.200 0.083 0.000 0.914 181 S CB -1.074 62.166 63.200 0.067 0.000 0.776 181 S HN 0.018 nan 8.310 nan 0.000 0.523 182 I N 4.007 124.639 120.570 0.103 0.000 2.406 182 I HA 0.124 4.294 4.170 -0.000 0.000 0.293 182 I C 0.582 176.799 176.117 0.167 0.000 1.101 182 I CA -0.249 61.135 61.300 0.140 0.000 1.334 182 I CB 0.310 38.347 38.000 0.062 0.000 1.421 182 I HN 0.359 nan 8.210 nan 0.000 0.513 183 S N 5.092 120.958 115.700 0.277 0.000 2.690 183 S HA 0.325 4.795 4.470 -0.000 0.000 0.291 183 S C 0.855 175.530 174.600 0.125 0.000 1.138 183 S CA -0.933 57.369 58.200 0.171 0.000 1.013 183 S CB 2.138 65.429 63.200 0.153 0.000 1.053 183 S HN 0.678 nan 8.310 nan 0.000 0.539 184 K N -0.136 120.306 120.400 0.070 0.000 2.152 184 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 184 K C 1.837 178.455 176.600 0.029 0.000 1.048 184 K CA 1.435 57.744 56.287 0.036 0.000 0.933 184 K CB -0.507 32.006 32.500 0.021 0.000 0.721 184 K HN 0.752 nan 8.250 nan 0.000 0.447 185 Y N 0.063 120.308 120.300 -0.092 0.000 2.128 185 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 185 Y C 1.526 177.331 175.900 -0.160 0.000 1.154 185 Y CA 1.836 59.833 58.100 -0.171 0.000 1.149 185 Y CB -0.285 37.994 38.460 -0.300 0.000 0.976 185 Y HN 0.081 nan 8.280 nan 0.000 0.505 186 Y N 0.054 120.350 120.300 -0.006 0.000 2.242 186 Y HA -0.195 4.355 4.550 -0.000 0.000 0.291 186 Y C 2.365 178.227 175.900 -0.064 0.000 1.137 186 Y CA 1.406 59.465 58.100 -0.068 0.000 1.181 186 Y CB -0.703 37.807 38.460 0.083 0.000 0.989 186 Y HN 0.160 nan 8.280 nan 0.000 0.527 187 L N -0.915 120.360 121.223 0.088 0.000 2.017 187 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 187 L C 2.241 179.105 176.870 -0.010 0.000 1.073 187 L CA 1.243 56.095 54.840 0.019 0.000 0.745 187 L CB -0.746 41.298 42.059 -0.025 0.000 0.894 187 L HN 0.233 nan 8.230 nan 0.000 0.432 188 L N -0.412 120.762 121.223 -0.082 0.000 2.083 188 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 188 L C 2.214 179.005 176.870 -0.132 0.000 1.083 188 L CA 1.318 56.090 54.840 -0.114 0.000 0.752 188 L CB -0.556 41.425 42.059 -0.130 0.000 0.899 188 L HN 0.317 nan 8.230 nan 0.000 0.433 189 D N -0.607 119.659 120.400 -0.223 0.000 2.117 189 D HA -0.281 4.359 4.640 -0.000 0.000 0.197 189 D C 2.082 178.371 176.300 -0.018 0.000 0.987 189 D CA 1.230 55.113 54.000 -0.195 0.000 0.829 189 D CB -0.063 40.587 40.800 -0.249 0.000 0.961 189 D HN 0.292 nan 8.370 nan 0.000 0.460 190 Y N 1.120 121.406 120.300 -0.023 0.000 2.200 190 Y HA -0.056 4.494 4.550 -0.000 0.000 0.290 190 Y C 2.171 178.140 175.900 0.115 0.000 1.137 190 Y CA 1.628 59.797 58.100 0.116 0.000 1.163 190 Y CB -0.069 38.508 38.460 0.195 0.000 0.988 190 Y HN -0.109 nan 8.280 nan 0.000 0.518 191 R N -0.200 120.433 120.500 0.221 0.000 2.096 191 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 191 R C 1.699 178.029 176.300 0.050 0.000 1.127 191 R CA 1.342 57.468 56.100 0.043 0.000 0.968 191 R CB -0.432 29.715 30.300 -0.255 0.000 0.861 191 R HN 0.325 nan 8.270 nan 0.000 0.440 192 N N 0.791 119.467 118.700 -0.040 0.000 2.453 192 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 192 N C 1.164 176.561 175.510 -0.189 0.000 1.041 192 N CA 1.126 54.127 53.050 -0.081 0.000 0.900 192 N CB 0.103 38.535 38.487 -0.092 0.000 0.961 192 N HN 0.299 nan 8.380 nan 0.000 0.443 193 K N -1.059 119.124 120.400 -0.361 0.000 2.168 193 K HA 0.135 4.455 4.320 -0.000 0.000 0.201 193 K C 0.675 176.751 176.600 -0.874 0.000 1.049 193 K CA 0.726 56.562 56.287 -0.751 0.000 0.974 193 K CB 0.156 31.912 32.500 -1.240 0.000 0.792 193 K HN 0.106 nan 8.250 nan 0.000 0.463 194 F N -1.309 118.551 119.950 -0.150 0.000 2.727 194 F HA 0.173 4.700 4.527 -0.000 0.000 0.302 194 F C 0.295 176.124 175.800 0.049 0.000 1.107 194 F CA -0.480 57.442 58.000 -0.130 0.000 1.277 194 F CB 0.162 38.996 39.000 -0.278 0.000 1.079 194 F HN -0.150 nan 8.300 nan 0.000 0.594 195 Y N 2.483 122.860 120.300 0.129 0.000 2.667 195 Y HA 0.323 4.873 4.550 -0.000 0.000 0.340 195 Y C 0.746 176.741 175.900 0.159 0.000 1.303 195 Y CA -1.106 57.131 58.100 0.229 0.000 1.769 195 Y CB -0.830 37.789 38.460 0.266 0.000 1.804 195 Y HN -0.075 nan 8.280 nan 0.000 0.451 196 T N -1.630 112.879 114.554 -0.075 0.000 2.907 196 T HA 0.339 4.689 4.350 -0.000 0.000 0.292 196 T C -2.026 172.103 174.700 -0.952 0.000 1.043 196 T CA -2.528 59.242 62.100 -0.549 0.000 1.003 196 T CB 2.717 71.347 68.868 -0.397 0.000 1.084 196 T HN 0.011 nan 8.240 nan 0.000 0.483 197 P HA -0.204 nan 4.420 nan 0.000 0.216 197 P C 1.314 178.352 177.300 -0.438 0.000 1.150 197 P CA 1.396 63.882 63.100 -1.024 0.000 0.843 197 P CB 0.115 31.336 31.700 -0.799 0.000 0.787 198 E N -0.250 119.725 120.200 -0.376 0.000 2.409 198 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 198 E C 1.049 177.555 176.600 -0.157 0.000 1.024 198 E CA 0.897 57.169 56.400 -0.213 0.000 0.861 198 E CB -0.977 28.606 29.700 -0.195 0.000 0.788 198 E HN 0.190 nan 8.360 nan 0.000 0.521 199 N N 0.168 118.758 118.700 -0.182 0.000 2.203 199 N HA 0.058 4.798 4.740 -0.000 0.000 0.207 199 N C -0.961 174.513 175.510 -0.061 0.000 1.130 199 N CA 0.082 53.067 53.050 -0.107 0.000 0.861 199 N CB 0.722 39.148 38.487 -0.101 0.000 1.005 199 N HN -0.019 nan 8.380 nan 0.000 0.507 200 T N -0.929 113.593 114.554 -0.054 0.000 2.924 200 T HA 0.620 4.970 4.350 -0.000 0.000 0.291 200 T C -0.861 173.890 174.700 0.085 0.000 1.045 200 T CA -0.588 61.538 62.100 0.044 0.000 1.015 200 T CB 2.431 71.381 68.868 0.138 0.000 1.103 200 T HN -0.297 nan 8.240 nan 0.000 0.496 201 V N 1.130 121.135 119.914 0.151 0.000 2.733 201 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 201 V C -0.611 175.625 176.094 0.237 0.000 1.084 201 V CA -0.986 61.417 62.300 0.173 0.000 0.905 201 V CB 1.760 33.668 31.823 0.142 0.000 1.010 201 V HN 1.138 nan 8.190 nan 0.000 0.424 202 A N 3.701 126.645 122.820 0.208 0.000 2.288 202 A HA 0.970 5.290 4.320 -0.000 0.000 0.320 202 A C -0.079 177.592 177.584 0.146 0.000 1.217 202 A CA -0.087 52.042 52.037 0.153 0.000 0.840 202 A CB 1.196 20.339 19.000 0.238 0.000 1.179 202 A HN 1.470 nan 8.150 nan 0.000 0.504 203 A N 1.992 124.780 122.820 -0.052 0.000 2.435 203 A HA 0.918 5.238 4.320 -0.000 0.000 0.304 203 A C -1.192 176.195 177.584 -0.328 0.000 1.064 203 A CA -0.416 51.637 52.037 0.027 0.000 0.727 203 A CB 0.822 19.877 19.000 0.091 0.000 1.284 203 A HN 0.745 nan 8.150 nan 0.000 0.415 204 F N 0.184 120.230 119.950 0.160 0.000 2.603 204 F HA 0.697 5.224 4.527 -0.000 0.000 0.317 204 F C -0.201 175.678 175.800 0.131 0.000 1.066 204 F CA -1.029 57.055 58.000 0.139 0.000 0.941 204 F CB 2.413 41.475 39.000 0.104 0.000 1.291 204 F HN 0.288 nan 8.300 nan 0.000 0.472 205 V N 0.876 120.967 119.914 0.294 0.000 2.569 205 V HA 0.624 4.744 4.120 -0.000 0.000 0.301 205 V C 0.234 176.422 176.094 0.156 0.000 1.044 205 V CA -0.323 62.094 62.300 0.194 0.000 0.874 205 V CB 1.157 33.064 31.823 0.140 0.000 1.002 205 V HN 1.066 nan 8.190 nan 0.000 0.424 206 G N 4.253 113.123 108.800 0.116 0.000 2.141 206 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.231 206 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.231 206 G C -0.190 174.762 174.900 0.085 0.000 0.984 206 G CA 0.101 45.240 45.100 0.066 0.000 0.660 206 G HN 0.862 nan 8.290 nan 0.000 0.525 207 V N 0.808 120.791 119.914 0.116 0.000 2.540 207 V HA 0.556 4.676 4.120 -0.000 0.000 0.302 207 V C -2.058 174.046 176.094 0.017 0.000 1.035 207 V CA -1.943 60.394 62.300 0.063 0.000 0.873 207 V CB 2.121 33.979 31.823 0.059 0.000 0.992 207 V HN 0.081 nan 8.190 nan 0.000 0.428 208 P HA 0.117 nan 4.420 nan 0.000 0.267 208 P C 0.575 177.853 177.300 -0.037 0.000 1.209 208 P CA 0.181 63.278 63.100 -0.005 0.000 0.763 208 P CB 0.402 32.094 31.700 -0.013 0.000 0.816 209 H N 2.664 121.685 119.070 -0.082 0.000 2.357 209 H HA -0.239 4.317 4.556 -0.000 0.000 0.296 209 H C 1.724 176.981 175.328 -0.117 0.000 1.108 209 H CA 2.113 58.098 56.048 -0.105 0.000 1.273 209 H CB 0.153 29.862 29.762 -0.087 0.000 1.367 209 H HN 0.402 nan 8.280 nan 0.000 0.498 210 E N 0.040 120.231 120.200 -0.015 0.000 2.110 210 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 210 E C 2.128 178.651 176.600 -0.129 0.000 0.988 210 E CA 1.200 57.565 56.400 -0.058 0.000 0.804 210 E CB -0.044 29.647 29.700 -0.015 0.000 0.745 210 E HN 0.229 nan 8.360 nan 0.000 0.458 211 K N 0.140 120.458 120.400 -0.137 0.000 2.057 211 K HA 0.023 4.343 4.320 -0.000 0.000 0.206 211 K C 1.828 178.268 176.600 -0.266 0.000 1.050 211 K CA 1.455 57.649 56.287 -0.154 0.000 0.935 211 K CB -0.686 31.742 32.500 -0.119 0.000 0.715 211 K HN 0.135 nan 8.250 nan 0.000 0.439 212 A N 0.773 123.328 122.820 -0.442 0.000 1.883 212 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 212 A C 2.271 179.585 177.584 -0.450 0.000 1.186 212 A CA 1.669 53.253 52.037 -0.755 0.000 0.624 212 A CB -0.789 17.590 19.000 -1.035 0.000 0.822 212 A HN 0.329 nan 8.150 nan 0.000 0.444 213 L N -0.914 120.081 121.223 -0.379 0.000 2.079 213 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 213 L C 2.682 179.468 176.870 -0.139 0.000 1.081 213 L CA 1.751 56.453 54.840 -0.230 0.000 0.752 213 L CB -0.539 41.401 42.059 -0.198 0.000 0.896 213 L HN 0.536 nan 8.230 nan 0.000 0.433 214 E N 0.019 120.134 120.200 -0.142 0.000 2.017 214 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 214 E C 2.313 178.850 176.600 -0.104 0.000 0.997 214 E CA 1.263 57.599 56.400 -0.106 0.000 0.804 214 E CB -0.121 29.523 29.700 -0.095 0.000 0.757 214 E HN 0.403 nan 8.360 nan 0.000 0.448 215 L N 0.456 121.628 121.223 -0.086 0.000 2.012 215 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 215 L C 2.682 179.602 176.870 0.083 0.000 1.073 215 L CA 1.375 56.219 54.840 0.006 0.000 0.748 215 L CB -0.760 41.358 42.059 0.098 0.000 0.891 215 L HN 0.187 nan 8.230 nan 0.000 0.431 216 T N -0.171 114.431 114.554 0.081 0.000 2.684 216 T HA -0.173 4.176 4.350 -0.000 0.000 0.267 216 T C 1.838 176.599 174.700 0.102 0.000 1.036 216 T CA 1.542 63.742 62.100 0.165 0.000 1.148 216 T CB -0.688 68.269 68.868 0.149 0.000 0.863 216 T HN 0.592 nan 8.240 nan 0.000 0.436 217 G N 1.229 110.041 108.800 0.019 0.000 2.418 217 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 217 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 217 G C 1.481 176.352 174.900 -0.049 0.000 1.158 217 G CA 1.133 46.234 45.100 0.001 0.000 0.771 217 G HN 0.475 nan 8.290 nan 0.000 0.545 218 K N -0.662 119.638 120.400 -0.166 0.000 2.009 218 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 218 K C 2.164 178.551 176.600 -0.356 0.000 1.049 218 K CA 1.580 57.645 56.287 -0.369 0.000 0.929 218 K CB -0.270 31.811 32.500 -0.699 0.000 0.714 218 K HN 0.424 nan 8.250 nan 0.000 0.440 219 Y N -0.915 119.405 120.300 0.034 0.000 2.503 219 Y HA 0.083 4.633 4.550 -0.000 0.000 0.278 219 Y C 1.289 177.206 175.900 0.028 0.000 1.111 219 Y CA 0.132 58.250 58.100 0.029 0.000 1.270 219 Y CB 0.474 38.947 38.460 0.023 0.000 1.063 219 Y HN 0.034 nan 8.280 nan 0.000 0.548 220 L N -1.414 119.926 121.223 0.194 0.000 2.966 220 L HA 0.377 4.717 4.340 -0.000 0.000 0.262 220 L C 2.109 179.130 176.870 0.251 0.000 1.165 220 L CA 0.228 55.192 54.840 0.206 0.000 0.978 220 L CB -0.533 41.675 42.059 0.248 0.000 1.337 220 L HN 0.157 nan 8.230 nan 0.000 0.563 221 G N 0.520 109.415 108.800 0.157 0.000 2.480 221 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 221 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 221 G C 1.047 176.034 174.900 0.146 0.000 1.200 221 G CA 1.017 46.191 45.100 0.124 0.000 0.782 221 G HN 0.540 nan 8.290 nan 0.000 0.554 222 D N -1.072 119.415 120.400 0.146 0.000 2.371 222 D HA -0.061 4.579 4.640 -0.000 0.000 0.234 222 D C 0.385 176.830 176.300 0.241 0.000 1.049 222 D CA -0.442 53.650 54.000 0.154 0.000 0.907 222 D CB -0.341 40.534 40.800 0.125 0.000 0.891 222 D HN 0.248 nan 8.370 nan 0.000 0.531 223 W N 2.502 123.822 121.300 0.033 0.000 2.251 223 W HA 0.229 4.889 4.660 -0.000 0.000 0.327 223 W C -0.269 176.247 176.519 -0.004 0.000 1.361 223 W CA -0.698 56.651 57.345 0.006 0.000 1.234 223 W CB 0.306 29.754 29.460 -0.020 0.000 1.212 223 W HN -0.070 nan 8.180 nan 0.000 0.557 224 Q N 3.898 123.790 119.800 0.153 0.000 2.377 224 Q HA 0.305 4.645 4.340 -0.000 0.000 0.271 224 Q C -0.314 175.551 176.000 -0.226 0.000 1.077 224 Q CA -0.956 54.812 55.803 -0.059 0.000 0.820 224 Q CB 2.275 31.037 28.738 0.040 0.000 1.347 224 Q HN 0.447 nan 8.270 nan 0.000 0.444 225 S N 0.029 115.524 115.700 -0.341 0.000 2.584 225 S HA 0.064 4.534 4.470 -0.000 0.000 0.270 225 S C 0.986 175.399 174.600 -0.313 0.000 1.346 225 S CA 0.210 58.134 58.200 -0.460 0.000 1.018 225 S CB 0.561 63.338 63.200 -0.705 0.000 0.899 225 S HN 0.746 nan 8.310 nan 0.000 0.542 226 T N 0.166 114.571 114.554 -0.248 0.000 3.060 226 T HA 0.203 4.553 4.350 -0.000 0.000 0.249 226 T C 0.228 174.909 174.700 -0.031 0.000 1.079 226 T CA 0.126 62.173 62.100 -0.089 0.000 1.013 226 T CB -0.522 68.307 68.868 -0.065 0.000 0.975 226 T HN 0.846 nan 8.240 nan 0.000 0.518 227 H N 2.090 121.101 119.070 -0.098 0.000 2.750 227 H HA -0.072 4.484 4.556 -0.000 0.000 0.327 227 H C -2.219 173.052 175.328 -0.095 0.000 1.199 227 H CA 0.570 56.563 56.048 -0.091 0.000 1.149 227 H CB -1.655 28.067 29.762 -0.067 0.000 1.543 227 H HN 0.530 nan 8.280 nan 0.000 0.427 228 P HA 0.266 nan 4.420 nan 0.000 0.276 228 P C -2.415 174.826 177.300 -0.098 0.000 1.261 228 P CA -1.393 61.641 63.100 -0.110 0.000 0.800 228 P CB 0.446 32.019 31.700 -0.213 0.000 1.066 229 P HA 0.233 nan 4.420 nan 0.000 0.276 229 P C -0.430 176.816 177.300 -0.090 0.000 1.253 229 P CA -0.167 62.891 63.100 -0.069 0.000 0.766 229 P CB -0.158 31.513 31.700 -0.049 0.000 0.845 230 I N 2.886 123.419 120.570 -0.060 0.000 2.662 230 I HA 0.027 4.197 4.170 -0.000 0.000 0.285 230 I C 1.205 177.311 176.117 -0.018 0.000 1.161 230 I CA 0.996 62.265 61.300 -0.051 0.000 1.415 230 I CB -0.506 37.480 38.000 -0.024 0.000 1.385 230 I HN 0.386 nan 8.210 nan 0.000 0.552 231 T N 2.094 116.647 114.554 -0.002 0.000 3.487 231 T HA 0.317 4.667 4.350 -0.000 0.000 0.287 231 T C 0.188 174.979 174.700 0.151 0.000 1.004 231 T CA -0.828 61.310 62.100 0.062 0.000 0.977 231 T CB -0.454 68.448 68.868 0.056 0.000 1.180 231 T HN 0.412 nan 8.240 nan 0.000 0.490 232 K N 2.381 122.867 120.400 0.144 0.000 2.266 232 K HA 0.341 4.661 4.320 -0.000 0.000 0.274 232 K C -0.204 176.513 176.600 0.195 0.000 1.090 232 K CA -0.482 55.962 56.287 0.262 0.000 0.925 232 K CB 1.096 33.735 32.500 0.232 0.000 1.225 232 K HN 0.328 nan 8.250 nan 0.000 0.458 233 K N 1.544 122.047 120.400 0.172 0.000 2.270 233 K HA 0.112 4.432 4.320 -0.000 0.000 0.276 233 K C 0.268 176.910 176.600 0.069 0.000 1.023 233 K CA -0.587 55.758 56.287 0.097 0.000 0.955 233 K CB 1.213 33.754 32.500 0.070 0.000 0.975 233 K HN 0.289 nan 8.250 nan 0.000 0.471 234 V N 1.204 121.153 119.914 0.059 0.000 2.686 234 V HA 0.357 4.477 4.120 -0.000 0.000 0.295 234 V C 0.057 176.167 176.094 0.027 0.000 1.055 234 V CA -0.456 61.873 62.300 0.048 0.000 1.050 234 V CB 0.729 32.589 31.823 0.061 0.000 0.984 234 V HN 0.837 nan 8.190 nan 0.000 0.482 235 A N 5.323 128.142 122.820 -0.003 0.000 2.454 235 A HA 0.435 4.755 4.320 -0.000 0.000 0.260 235 A C 0.206 177.870 177.584 0.133 0.000 1.106 235 A CA -0.172 51.849 52.037 -0.026 0.000 0.780 235 A CB -0.136 18.762 19.000 -0.170 0.000 1.044 235 A HN 0.976 nan 8.150 nan 0.000 0.498 236 Q N 1.731 121.651 119.800 0.200 0.000 2.413 236 Q HA 0.246 4.586 4.340 -0.000 0.000 0.258 236 Q C -1.293 174.915 176.000 0.347 0.000 1.037 236 Q CA -0.351 55.596 55.803 0.239 0.000 0.764 236 Q CB 1.583 30.405 28.738 0.139 0.000 1.217 236 Q HN 0.748 nan 8.270 nan 0.000 0.490 237 Y N 2.298 122.735 120.300 0.229 0.000 2.526 237 Y HA -0.053 4.497 4.550 -0.000 0.000 0.330 237 Y C 1.110 176.975 175.900 -0.058 0.000 1.156 237 Y CA 1.278 59.352 58.100 -0.043 0.000 1.419 237 Y CB 0.805 39.212 38.460 -0.089 0.000 1.250 237 Y HN 0.692 nan 8.280 nan 0.000 0.540 238 T N 1.796 115.954 114.554 -0.659 0.000 2.964 238 T HA 0.509 4.859 4.350 -0.000 0.000 0.249 238 T C 0.889 175.261 174.700 -0.547 0.000 1.000 238 T CA 0.327 62.182 62.100 -0.408 0.000 0.992 238 T CB -0.470 68.254 68.868 -0.239 0.000 1.087 238 T HN 1.455 nan 8.240 nan 0.000 0.489 239 G N -0.012 108.159 108.800 -1.048 0.000 2.796 239 G HA2 0.403 4.363 3.960 -0.000 0.000 0.571 239 G HA3 0.403 4.363 3.960 -0.000 0.000 0.571 239 G C 0.026 174.727 174.900 -0.333 0.000 1.370 239 G CA -0.515 44.220 45.100 -0.607 0.000 0.856 239 G HN 1.919 nan 8.290 nan 0.000 0.538 240 G N -1.204 107.473 108.800 -0.206 0.000 2.356 240 G HA2 0.581 4.541 3.960 -0.000 0.000 0.300 240 G HA3 0.581 4.541 3.960 -0.000 0.000 0.300 240 G C -1.253 173.576 174.900 -0.119 0.000 1.331 240 G CA 0.268 45.283 45.100 -0.142 0.000 0.905 240 G HN 1.022 nan 8.290 nan 0.000 0.587 241 E N -0.734 119.410 120.200 -0.093 0.000 2.293 241 E HA 0.699 5.049 4.350 -0.000 0.000 0.270 241 E C -1.070 175.482 176.600 -0.080 0.000 0.879 241 E CA -0.742 55.605 56.400 -0.089 0.000 0.756 241 E CB 2.287 31.944 29.700 -0.072 0.000 1.208 241 E HN 0.498 nan 8.360 nan 0.000 0.428 242 S N 1.190 116.836 115.700 -0.091 0.000 2.537 242 S HA 0.511 4.981 4.470 -0.000 0.000 0.270 242 S C -1.913 172.630 174.600 -0.094 0.000 1.142 242 S CA -0.549 57.606 58.200 -0.074 0.000 0.870 242 S CB 1.485 64.653 63.200 -0.053 0.000 1.112 242 S HN 0.610 nan 8.310 nan 0.000 0.466 243 C N 6.006 125.262 119.300 -0.074 0.000 2.551 243 C HA 0.783 5.242 4.460 -0.000 0.000 0.332 243 C C -0.847 174.114 174.990 -0.048 0.000 1.139 243 C CA -0.728 58.239 59.018 -0.086 0.000 1.328 243 C CB -0.695 26.991 27.740 -0.089 0.000 1.903 243 C HN 0.856 nan 8.230 nan 0.000 0.459 244 I N 3.498 124.047 120.570 -0.036 0.000 2.750 244 I HA 0.749 4.919 4.170 -0.000 0.000 0.308 244 I C -2.609 173.486 176.117 -0.037 0.000 1.016 244 I CA -2.594 58.699 61.300 -0.011 0.000 1.098 244 I CB 1.322 39.352 38.000 0.049 0.000 1.279 244 I HN 0.306 nan 8.210 nan 0.000 0.454 245 P HA 0.187 nan 4.420 nan 0.000 0.270 245 P C -2.560 174.708 177.300 -0.054 0.000 1.227 245 P CA -0.663 62.404 63.100 -0.054 0.000 0.788 245 P CB -0.393 31.288 31.700 -0.032 0.000 0.926 246 P HA 0.093 nan 4.420 nan 0.000 0.267 246 P C -0.429 176.888 177.300 0.028 0.000 1.205 246 P CA 0.307 63.394 63.100 -0.022 0.000 0.765 246 P CB 0.213 31.954 31.700 0.068 0.000 0.828 247 A N 5.909 128.769 122.820 0.066 0.000 2.492 247 A HA 0.294 4.614 4.320 -0.000 0.000 0.236 247 A C -1.916 175.591 177.584 -0.128 0.000 1.078 247 A CA -0.723 51.330 52.037 0.028 0.000 0.773 247 A CB -1.378 17.689 19.000 0.113 0.000 1.023 247 A HN 0.428 nan 8.150 nan 0.000 0.504 248 P HA 0.251 nan 4.420 nan 0.000 0.271 248 P C -0.344 176.485 177.300 -0.785 0.000 1.216 248 P CA -0.260 62.607 63.100 -0.388 0.000 0.771 248 P CB 0.646 32.192 31.700 -0.256 0.000 0.864 249 V N 1.597 121.249 119.914 -0.436 0.000 2.377 249 V HA 0.083 4.203 4.120 -0.000 0.000 0.254 249 V C 0.540 176.445 176.094 -0.314 0.000 1.060 249 V CA 0.069 62.156 62.300 -0.355 0.000 1.068 249 V CB -1.847 29.893 31.823 -0.138 0.000 1.113 249 V HN 0.248 nan 8.190 nan 0.000 0.484 250 F N 4.442 124.414 119.950 0.038 0.000 2.052 250 F HA 0.464 4.991 4.527 -0.000 0.000 0.276 250 F C 2.048 177.861 175.800 0.022 0.000 1.364 250 F CA 1.346 59.363 58.000 0.029 0.000 1.127 250 F CB -1.224 37.795 39.000 0.032 0.000 1.266 250 F HN 0.591 nan 8.300 nan 0.000 0.560 251 G N -0.191 108.782 108.800 0.290 0.000 3.229 251 G HA2 0.029 3.989 3.960 -0.000 0.000 0.165 251 G HA3 0.029 3.989 3.960 -0.000 0.000 0.165 251 G C 0.597 175.562 174.900 0.107 0.000 1.753 251 G CA 0.194 45.381 45.100 0.144 0.000 1.054 251 G HN 0.516 nan 8.290 nan 0.000 0.544 252 N N -0.114 118.635 118.700 0.082 0.000 2.512 252 N HA 0.006 4.746 4.740 -0.000 0.000 0.183 252 N C 0.933 176.486 175.510 0.072 0.000 1.073 252 N CA 0.059 53.145 53.050 0.060 0.000 0.911 252 N CB -0.474 38.038 38.487 0.042 0.000 0.964 252 N HN 0.303 nan 8.380 nan 0.000 0.447 253 L N 0.815 122.106 121.223 0.114 0.000 2.559 253 L HA 0.084 4.424 4.340 -0.000 0.000 0.282 253 L C -1.849 175.083 176.870 0.103 0.000 1.232 253 L CA -1.217 53.703 54.840 0.133 0.000 0.885 253 L CB -0.288 41.913 42.059 0.236 0.000 1.131 253 L HN 0.062 nan 8.230 nan 0.000 0.498 254 P HA 0.106 nan 4.420 nan 0.000 0.282 254 P C -0.527 176.801 177.300 0.047 0.000 1.262 254 P CA -0.449 62.680 63.100 0.048 0.000 0.773 254 P CB 0.646 32.371 31.700 0.041 0.000 0.879 255 E N 3.525 123.729 120.200 0.007 0.000 2.415 255 E HA 0.154 4.504 4.350 -0.000 0.000 0.263 255 E C -0.969 175.620 176.600 -0.019 0.000 0.995 255 E CA -0.054 56.344 56.400 -0.003 0.000 0.915 255 E CB 0.231 29.907 29.700 -0.041 0.000 0.951 255 E HN 0.388 nan 8.360 nan 0.000 0.449 256 L N 3.807 125.049 121.223 0.030 0.000 2.333 256 L HA 0.536 4.876 4.340 -0.000 0.000 0.263 256 L C -0.855 176.066 176.870 0.085 0.000 1.014 256 L CA -1.077 53.738 54.840 -0.040 0.000 0.820 256 L CB 1.281 43.279 42.059 -0.102 0.000 1.352 256 L HN 0.535 nan 8.230 nan 0.000 0.421 257 F N -0.005 119.763 119.950 -0.303 0.000 2.538 257 F HA 0.592 5.119 4.527 -0.000 0.000 0.325 257 F C 0.224 175.833 175.800 -0.318 0.000 1.066 257 F CA -0.846 57.044 58.000 -0.184 0.000 0.946 257 F CB 1.611 40.589 39.000 -0.036 0.000 1.199 257 F HN 0.295 nan 8.300 nan 0.000 0.473 258 H N 2.355 121.650 119.070 0.375 0.000 2.821 258 H HA 0.658 5.214 4.556 -0.000 0.000 0.373 258 H C -1.078 174.345 175.328 0.159 0.000 1.165 258 H CA -0.721 55.472 56.048 0.242 0.000 1.154 258 H CB 3.273 33.113 29.762 0.130 0.000 1.765 258 H HN 0.598 nan 8.280 nan 0.000 0.549 259 I N 1.082 121.788 120.570 0.228 0.000 2.775 259 I HA 0.189 4.359 4.170 -0.000 0.000 0.295 259 I C -1.609 174.548 176.117 0.067 0.000 1.287 259 I CA -0.359 60.949 61.300 0.013 0.000 1.029 259 I CB 2.615 40.589 38.000 -0.043 0.000 1.282 259 I HN 0.523 nan 8.210 nan 0.000 0.426 260 Q N 7.008 126.821 119.800 0.021 0.000 2.323 260 Q HA 0.630 4.970 4.340 -0.000 0.000 0.271 260 Q C -1.535 174.522 176.000 0.096 0.000 1.048 260 Q CA -0.699 55.181 55.803 0.128 0.000 0.792 260 Q CB 3.241 32.032 28.738 0.088 0.000 1.280 260 Q HN 0.542 nan 8.270 nan 0.000 0.441 261 I N 1.326 121.988 120.570 0.154 0.000 2.466 261 I HA 0.721 4.891 4.170 -0.000 0.000 0.289 261 I C -0.009 176.155 176.117 0.079 0.000 1.026 261 I CA -0.554 60.769 61.300 0.038 0.000 1.078 261 I CB 2.177 40.167 38.000 -0.018 0.000 1.249 261 I HN 0.684 nan 8.210 nan 0.000 0.429 262 G N 4.642 113.428 108.800 -0.023 0.000 2.682 262 G HA2 0.762 4.722 3.960 -0.000 0.000 0.290 262 G HA3 0.762 4.722 3.960 -0.000 0.000 0.290 262 G C -1.708 173.044 174.900 -0.247 0.000 1.425 262 G CA -0.392 44.735 45.100 0.044 0.000 0.807 262 G HN 0.301 nan 8.290 nan 0.000 0.482 263 F N -0.806 119.250 119.950 0.178 0.000 2.654 263 F HA 0.547 5.074 4.527 -0.000 0.000 0.334 263 F C 0.441 176.123 175.800 -0.197 0.000 1.078 263 F CA -0.844 57.179 58.000 0.038 0.000 0.986 263 F CB 1.940 40.940 39.000 -0.000 0.000 1.362 263 F HN 0.532 nan 8.300 nan 0.000 0.498 264 E N 0.564 120.462 120.200 -0.504 0.000 2.415 264 E HA 0.390 4.740 4.350 -0.000 0.000 0.263 264 E C 0.127 176.582 176.600 -0.242 0.000 0.995 264 E CA 0.070 56.049 56.400 -0.702 0.000 0.915 264 E CB 0.619 29.674 29.700 -1.076 0.000 0.951 264 E HN 0.736 nan 8.360 nan 0.000 0.449 265 G N 3.922 112.668 108.800 -0.092 0.000 2.849 265 G HA2 0.492 4.452 3.960 -0.000 0.000 0.174 265 G HA3 0.492 4.452 3.960 -0.000 0.000 0.174 265 G C -0.677 174.145 174.900 -0.130 0.000 1.370 265 G CA -0.681 44.376 45.100 -0.071 0.000 1.040 265 G HN 0.510 nan 8.290 nan 0.000 0.582 266 L N 0.310 121.454 121.223 -0.133 0.000 2.341 266 L HA 0.414 4.754 4.340 -0.000 0.000 0.267 266 L C -2.502 174.335 176.870 -0.055 0.000 1.009 266 L CA -1.945 52.785 54.840 -0.185 0.000 0.819 266 L CB 2.683 44.502 42.059 -0.401 0.000 1.323 266 L HN 0.213 nan 8.230 nan 0.000 0.425 267 P HA 0.039 nan 4.420 nan 0.000 0.271 267 P C 0.950 178.272 177.300 0.037 0.000 1.216 267 P CA -0.445 62.698 63.100 0.072 0.000 0.776 267 P CB 0.437 32.206 31.700 0.117 0.000 0.881 268 I N 1.146 121.726 120.570 0.017 0.000 2.623 268 I HA -0.190 3.980 4.170 -0.000 0.000 0.261 268 I C 0.339 176.430 176.117 -0.043 0.000 1.204 268 I CA 1.908 63.191 61.300 -0.028 0.000 1.444 268 I CB -1.517 36.479 38.000 -0.007 0.000 1.094 268 I HN 0.239 nan 8.210 nan 0.000 0.451 269 D N -0.714 119.686 120.400 -0.001 0.000 2.424 269 D HA 0.027 4.666 4.640 -0.000 0.000 0.220 269 D C 0.915 177.177 176.300 -0.064 0.000 1.150 269 D CA -0.371 53.584 54.000 -0.076 0.000 0.831 269 D CB -0.790 39.934 40.800 -0.128 0.000 0.981 269 D HN 0.409 nan 8.370 nan 0.000 0.500 270 H N 1.330 120.334 119.070 -0.111 0.000 2.707 270 H HA 0.130 4.686 4.556 -0.000 0.000 0.359 270 H C -1.567 173.695 175.328 -0.110 0.000 1.113 270 H CA -1.263 54.728 56.048 -0.094 0.000 1.422 270 H CB 1.651 31.362 29.762 -0.086 0.000 1.443 270 H HN -0.220 nan 8.280 nan 0.000 0.591 271 P HA -0.131 nan 4.420 nan 0.000 0.216 271 P C 0.467 177.858 177.300 0.152 0.000 1.153 271 P CA 1.398 64.490 63.100 -0.013 0.000 0.858 271 P CB 0.324 31.939 31.700 -0.142 0.000 0.789 272 D N -1.382 119.218 120.400 0.333 0.000 2.319 272 D HA 0.007 4.647 4.640 -0.000 0.000 0.230 272 D C 1.668 177.957 176.300 -0.018 0.000 1.094 272 D CA -0.040 54.020 54.000 0.101 0.000 0.856 272 D CB -0.302 40.502 40.800 0.006 0.000 0.915 272 D HN 0.071 nan 8.370 nan 0.000 0.517 273 I N 0.551 121.096 120.570 -0.042 0.000 2.208 273 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 273 I C 1.664 177.663 176.117 -0.196 0.000 1.097 273 I CA 1.417 62.602 61.300 -0.192 0.000 1.363 273 I CB -0.485 37.332 38.000 -0.304 0.000 1.051 273 I HN 0.019 nan 8.210 nan 0.000 0.413 274 Y N 0.928 121.222 120.300 -0.011 0.000 2.224 274 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 274 Y C 2.602 178.486 175.900 -0.027 0.000 1.146 274 Y CA 1.407 59.499 58.100 -0.014 0.000 1.182 274 Y CB -1.116 37.337 38.460 -0.012 0.000 0.983 274 Y HN 0.207 nan 8.280 nan 0.000 0.524 275 A N -0.172 122.706 122.820 0.097 0.000 1.858 275 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 275 A C 2.208 179.765 177.584 -0.045 0.000 1.190 275 A CA 1.675 53.722 52.037 0.015 0.000 0.617 275 A CB -1.168 17.816 19.000 -0.027 0.000 0.827 275 A HN 0.406 nan 8.150 nan 0.000 0.443 276 L N -0.330 120.823 121.223 -0.117 0.000 2.127 276 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 276 L C 2.586 179.447 176.870 -0.015 0.000 1.089 276 L CA 2.010 56.728 54.840 -0.204 0.000 0.757 276 L CB -0.515 41.368 42.059 -0.294 0.000 0.899 276 L HN 0.360 nan 8.230 nan 0.000 0.434 277 A N -2.019 120.819 122.820 0.029 0.000 1.968 277 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 277 A C 2.231 179.871 177.584 0.093 0.000 1.169 277 A CA 1.855 53.942 52.037 0.083 0.000 0.638 277 A CB -0.915 18.129 19.000 0.073 0.000 0.812 277 A HN 0.469 nan 8.150 nan 0.000 0.446 278 T N 0.290 114.889 114.554 0.074 0.000 2.737 278 T HA -0.123 4.227 4.350 -0.000 0.000 0.265 278 T C 1.833 176.576 174.700 0.070 0.000 1.038 278 T CA 1.475 63.614 62.100 0.065 0.000 1.144 278 T CB -0.372 68.525 68.868 0.048 0.000 0.866 278 T HN 0.333 nan 8.240 nan 0.000 0.434 279 L N 1.367 122.624 121.223 0.056 0.000 2.079 279 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 279 L C 2.447 179.441 176.870 0.206 0.000 1.081 279 L CA 1.751 56.642 54.840 0.085 0.000 0.752 279 L CB -0.800 41.234 42.059 -0.041 0.000 0.896 279 L HN 0.131 nan 8.230 nan 0.000 0.433 280 Q N -0.773 119.183 119.800 0.259 0.000 2.046 280 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 280 Q C 1.996 178.058 176.000 0.104 0.000 0.975 280 Q CA 2.361 58.293 55.803 0.214 0.000 0.836 280 Q CB -0.233 28.609 28.738 0.173 0.000 0.896 280 Q HN 0.591 nan 8.270 nan 0.000 0.428 281 T N 2.053 116.664 114.554 0.095 0.000 2.867 281 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 281 T C 1.918 176.666 174.700 0.081 0.000 1.057 281 T CA 0.988 63.134 62.100 0.077 0.000 1.136 281 T CB -0.202 68.707 68.868 0.069 0.000 0.874 281 T HN 0.244 nan 8.240 nan 0.000 0.466 282 L N 0.352 121.625 121.223 0.084 0.000 2.027 282 L HA -0.001 4.339 4.340 -0.000 0.000 0.206 282 L C 2.212 179.127 176.870 0.074 0.000 1.074 282 L CA 1.296 56.181 54.840 0.075 0.000 0.745 282 L CB -0.240 41.861 42.059 0.070 0.000 0.898 282 L HN 0.238 nan 8.230 nan 0.000 0.433 283 L N -0.722 120.554 121.223 0.087 0.000 2.056 283 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 283 L C 1.900 178.807 176.870 0.062 0.000 1.078 283 L CA 0.847 55.727 54.840 0.065 0.000 0.749 283 L CB -1.218 40.892 42.059 0.085 0.000 0.901 283 L HN 0.567 nan 8.230 nan 0.000 0.433 284 G N -0.437 108.407 108.800 0.072 0.000 2.660 284 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.321 284 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.321 284 G C 0.571 175.518 174.900 0.079 0.000 1.246 284 G CA 0.310 45.469 45.100 0.099 0.000 1.000 284 G HN 1.129 nan 8.290 nan 0.000 0.550 285 G N -2.757 106.127 108.800 0.139 0.000 2.409 285 G HA2 0.605 4.565 3.960 -0.000 0.000 0.421 285 G HA3 0.605 4.565 3.960 -0.000 0.000 0.421 285 G C 0.677 175.538 174.900 -0.064 0.000 1.259 285 G CA 0.630 45.690 45.100 -0.066 0.000 1.011 285 G HN 3.108 nan 8.290 nan 0.000 0.497 286 G N -2.127 106.549 108.800 -0.206 0.000 2.350 286 G HA2 0.697 4.657 3.960 -0.000 0.000 0.276 286 G HA3 0.697 4.657 3.960 -0.000 0.000 0.276 286 G C 0.060 174.890 174.900 -0.118 0.000 1.313 286 G CA 0.740 45.793 45.100 -0.079 0.000 0.903 286 G HN 2.304 nan 8.290 nan 0.000 0.490 287 G N -0.247 108.549 108.800 -0.007 0.000 2.389 287 G HA2 0.597 4.557 3.960 -0.000 0.000 0.328 287 G HA3 0.597 4.557 3.960 -0.000 0.000 0.328 287 G C 0.475 175.390 174.900 0.025 0.000 1.133 287 G CA 0.824 45.930 45.100 0.010 0.000 0.891 287 G HN 1.008 nan 8.290 nan 0.000 0.485 299 Y N 2.758 122.975 120.300 -0.138 0.000 2.458 299 Y HA 0.410 4.960 4.550 -0.000 0.000 0.256 299 Y C 1.323 177.249 175.900 0.043 0.000 1.159 299 Y CA 0.279 58.365 58.100 -0.022 0.000 1.261 299 Y CB 0.558 39.006 38.460 -0.021 0.000 1.119 299 Y HN 0.403 nan 8.280 nan 0.000 0.524 300 S N 0.125 115.940 115.700 0.192 0.000 2.572 300 S HA 0.097 4.567 4.470 -0.000 0.000 0.279 300 S C 1.305 175.983 174.600 0.130 0.000 1.341 300 S CA -0.744 57.555 58.200 0.164 0.000 1.043 300 S CB 1.170 64.480 63.200 0.184 0.000 0.887 300 S HN 0.364 nan 8.310 nan 0.000 0.516 301 R N 0.751 121.262 120.500 0.018 0.000 2.134 301 R HA -0.152 4.188 4.340 -0.000 0.000 0.248 301 R C 2.032 178.283 176.300 -0.081 0.000 1.143 301 R CA 1.975 57.977 56.100 -0.164 0.000 0.957 301 R CB -0.983 29.149 30.300 -0.280 0.000 0.867 301 R HN 0.689 nan 8.270 nan 0.000 0.441 302 L N -0.760 120.459 121.223 -0.006 0.000 2.127 302 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 302 L C 2.294 179.153 176.870 -0.018 0.000 1.089 302 L CA 1.326 56.160 54.840 -0.010 0.000 0.757 302 L CB -0.497 41.541 42.059 -0.035 0.000 0.899 302 L HN 0.189 nan 8.230 nan 0.000 0.434 303 Y N 0.473 120.782 120.300 0.015 0.000 2.092 303 Y HA -0.264 4.286 4.550 -0.000 0.000 0.282 303 Y C 2.862 178.775 175.900 0.022 0.000 1.126 303 Y CA 2.154 60.258 58.100 0.007 0.000 1.111 303 Y CB -0.694 37.754 38.460 -0.020 0.000 0.987 303 Y HN 0.064 nan 8.280 nan 0.000 0.489 304 T N -0.820 113.876 114.554 0.238 0.000 2.555 304 T HA -0.257 4.093 4.350 -0.000 0.000 0.264 304 T C 1.433 176.286 174.700 0.255 0.000 1.083 304 T CA 2.206 64.441 62.100 0.225 0.000 1.179 304 T CB -0.600 68.448 68.868 0.301 0.000 0.863 304 T HN 0.354 nan 8.240 nan 0.000 0.412 305 H N -0.238 118.861 119.070 0.048 0.000 2.546 305 H HA 0.214 4.770 4.556 -0.000 0.000 0.277 305 H C 1.757 177.137 175.328 0.087 0.000 1.004 305 H CA 0.357 56.434 56.048 0.048 0.000 1.231 305 H CB -0.145 29.660 29.762 0.072 0.000 1.382 305 H HN 0.244 nan 8.280 nan 0.000 0.580 306 V N -1.254 118.770 119.914 0.184 0.000 3.161 306 V HA -0.027 4.093 4.120 -0.000 0.000 0.221 306 V C 1.998 178.140 176.094 0.081 0.000 1.296 306 V CA -0.060 62.365 62.300 0.207 0.000 1.306 306 V CB -0.207 31.672 31.823 0.092 0.000 1.171 306 V HN 0.100 nan 8.190 nan 0.000 0.513 307 L N 1.625 122.816 121.223 -0.053 0.000 2.079 307 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 307 L C 1.836 178.659 176.870 -0.079 0.000 1.081 307 L CA 1.945 56.710 54.840 -0.126 0.000 0.752 307 L CB -1.350 40.510 42.059 -0.332 0.000 0.896 307 L HN 0.447 nan 8.230 nan 0.000 0.433 308 N N -1.140 117.531 118.700 -0.049 0.000 2.336 308 N HA -0.025 4.715 4.740 -0.000 0.000 0.189 308 N C 1.413 176.796 175.510 -0.211 0.000 1.113 308 N CA 0.243 53.250 53.050 -0.072 0.000 0.858 308 N CB 0.388 38.868 38.487 -0.010 0.000 0.970 308 N HN 0.397 nan 8.380 nan 0.000 0.471 309 Q N -0.618 118.978 119.800 -0.340 0.000 2.316 309 Q HA 0.186 4.526 4.340 -0.000 0.000 0.235 309 Q C -0.479 174.866 176.000 -1.091 0.000 0.863 309 Q CA 0.340 55.737 55.803 -0.676 0.000 0.939 309 Q CB 0.835 29.105 28.738 -0.781 0.000 1.108 309 Q HN 0.330 nan 8.270 nan 0.000 0.522 310 Y N -0.323 119.595 120.300 -0.638 0.000 2.457 310 Y HA 0.245 4.795 4.550 -0.000 0.000 0.343 310 Y C -0.023 175.342 175.900 -0.893 0.000 0.994 310 Y CA -1.143 56.311 58.100 -1.077 0.000 1.031 310 Y CB 1.076 38.703 38.460 -1.390 0.000 1.246 310 Y HN -0.017 nan 8.280 nan 0.000 0.449 311 Y N -0.491 119.600 120.300 -0.348 0.000 2.612 311 Y HA 0.229 4.779 4.550 -0.000 0.000 0.250 311 Y C 0.714 176.565 175.900 -0.082 0.000 1.175 311 Y CA -0.939 57.062 58.100 -0.165 0.000 1.205 311 Y CB -0.141 38.281 38.460 -0.063 0.000 1.201 311 Y HN 0.519 nan 8.280 nan 0.000 0.532 312 F N -1.014 119.121 119.950 0.308 0.000 2.765 312 F HA 0.436 4.963 4.527 -0.000 0.000 0.302 312 F C -0.236 175.607 175.800 0.073 0.000 1.111 312 F CA -1.202 56.895 58.000 0.161 0.000 1.359 312 F CB -0.694 38.377 39.000 0.119 0.000 1.097 312 F HN -0.172 nan 8.300 nan 0.000 0.577 313 V N 2.519 122.408 119.914 -0.043 0.000 2.334 313 V HA 0.213 4.333 4.120 -0.000 0.000 0.281 313 V C 0.735 176.834 176.094 0.008 0.000 1.016 313 V CA -0.398 61.899 62.300 -0.005 0.000 0.832 313 V CB 1.256 32.986 31.823 -0.154 0.000 0.999 313 V HN 0.348 nan 8.190 nan 0.000 0.439 314 E N 4.419 124.651 120.200 0.053 0.000 2.415 314 E HA 0.076 4.426 4.350 -0.000 0.000 0.197 314 E C 0.443 177.064 176.600 0.035 0.000 1.007 314 E CA 0.369 56.800 56.400 0.051 0.000 0.890 314 E CB 0.356 30.101 29.700 0.074 0.000 0.891 314 E HN 0.673 nan 8.360 nan 0.000 0.496 315 N N -0.955 117.765 118.700 0.034 0.000 2.446 315 N HA 0.347 5.087 4.740 -0.000 0.000 0.272 315 N C -2.364 173.150 175.510 0.007 0.000 1.127 315 N CA -0.696 52.365 53.050 0.018 0.000 0.896 315 N CB 2.192 40.723 38.487 0.073 0.000 1.658 315 N HN 0.172 nan 8.380 nan 0.000 0.483 316 C N 3.624 122.898 119.300 -0.043 0.000 2.924 316 C HA 0.781 5.241 4.460 -0.000 0.000 0.400 316 C C -1.705 173.251 174.990 -0.057 0.000 1.032 316 C CA -0.311 58.686 59.018 -0.035 0.000 1.236 316 C CB -0.308 27.395 27.740 -0.062 0.000 1.660 316 C HN 0.672 nan 8.230 nan 0.000 0.510 317 V N 5.492 125.402 119.914 -0.007 0.000 3.147 317 V HA 0.945 5.065 4.120 -0.000 0.000 0.306 317 V C -0.260 175.815 176.094 -0.032 0.000 1.209 317 V CA 0.333 62.627 62.300 -0.011 0.000 1.023 317 V CB 2.266 34.101 31.823 0.021 0.000 1.059 317 V HN 1.573 nan 8.190 nan 0.000 0.435 318 A N 4.643 127.409 122.820 -0.090 0.000 2.301 318 A HA 0.896 5.216 4.320 -0.000 0.000 0.312 318 A C -0.832 176.578 177.584 -0.289 0.000 1.182 318 A CA -0.349 51.524 52.037 -0.273 0.000 0.826 318 A CB 0.537 19.402 19.000 -0.225 0.000 1.134 318 A HN 1.477 nan 8.150 nan 0.000 0.501 319 F N 0.326 120.027 119.950 -0.415 0.000 2.561 319 F HA 0.697 5.224 4.527 -0.000 0.000 0.321 319 F C -0.393 174.988 175.800 -0.698 0.000 1.065 319 F CA -1.625 56.087 58.000 -0.480 0.000 0.934 319 F CB 1.765 40.517 39.000 -0.413 0.000 1.215 319 F HN 0.519 nan 8.300 nan 0.000 0.471 320 N N 1.272 119.807 118.700 -0.275 0.000 2.640 320 N HA 0.149 4.889 4.740 -0.000 0.000 0.262 320 N C -1.656 173.766 175.510 -0.147 0.000 1.174 320 N CA -0.542 52.400 53.050 -0.181 0.000 0.791 320 N CB 0.338 38.803 38.487 -0.036 0.000 1.279 320 N HN 0.688 nan 8.380 nan 0.000 0.535 321 H N 1.173 120.295 119.070 0.086 0.000 2.742 321 H HA 0.184 4.740 4.556 -0.000 0.000 0.302 321 H C -0.520 174.659 175.328 -0.248 0.000 1.069 321 H CA 0.088 56.088 56.048 -0.080 0.000 1.446 321 H CB 1.729 31.550 29.762 0.097 0.000 1.462 321 H HN 0.260 nan 8.280 nan 0.000 0.499 322 S N 4.230 119.680 115.700 -0.416 0.000 2.647 322 S HA 0.474 4.944 4.470 -0.000 0.000 0.300 322 S C -1.171 173.076 174.600 -0.588 0.000 1.129 322 S CA -0.557 57.423 58.200 -0.367 0.000 1.029 322 S CB 0.208 63.315 63.200 -0.155 0.000 1.007 322 S HN 0.399 nan 8.310 nan 0.000 0.484 323 Y N 1.313 121.665 120.300 0.087 0.000 2.772 323 Y HA 0.388 4.938 4.550 -0.000 0.000 0.324 323 Y C 2.084 178.013 175.900 0.048 0.000 1.169 323 Y CA -0.378 57.753 58.100 0.052 0.000 1.198 323 Y CB 0.232 38.703 38.460 0.018 0.000 1.402 323 Y HN 0.638 nan 8.280 nan 0.000 0.577 324 S N -0.201 115.637 115.700 0.230 0.000 2.383 324 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 324 S C 0.702 175.382 174.600 0.133 0.000 1.030 324 S CA 1.928 60.220 58.200 0.152 0.000 1.002 324 S CB -0.415 62.865 63.200 0.134 0.000 0.829 324 S HN 0.821 nan 8.310 nan 0.000 0.467 325 D N -0.676 119.803 120.400 0.133 0.000 2.527 325 D HA 0.426 5.066 4.640 -0.000 0.000 0.224 325 D C 0.297 176.678 176.300 0.135 0.000 1.217 325 D CA 0.021 54.089 54.000 0.115 0.000 0.819 325 D CB 0.360 41.213 40.800 0.087 0.000 1.061 325 D HN 0.359 nan 8.370 nan 0.000 0.515 326 S N -1.819 113.989 115.700 0.180 0.000 2.669 326 S HA 0.700 5.170 4.470 -0.000 0.000 0.266 326 S C -1.355 173.421 174.600 0.294 0.000 1.149 326 S CA -0.121 58.214 58.200 0.226 0.000 0.842 326 S CB 1.147 64.537 63.200 0.317 0.000 1.160 326 S HN 0.590 nan 8.310 nan 0.000 0.487 327 G N 0.183 109.173 108.800 0.318 0.000 2.506 327 G HA2 0.580 4.540 3.960 -0.000 0.000 0.292 327 G HA3 0.580 4.540 3.960 -0.000 0.000 0.292 327 G C -2.205 172.863 174.900 0.281 0.000 1.425 327 G CA -0.551 44.735 45.100 0.309 0.000 0.788 327 G HN 0.785 nan 8.290 nan 0.000 0.490 328 I N 0.072 120.822 120.570 0.301 0.000 2.498 328 I HA 0.541 4.711 4.170 -0.000 0.000 0.290 328 I C -1.449 174.889 176.117 0.368 0.000 1.032 328 I CA -0.669 60.810 61.300 0.298 0.000 1.073 328 I CB 2.355 40.526 38.000 0.286 0.000 1.251 328 I HN 0.414 nan 8.210 nan 0.000 0.426 329 F N 4.443 124.477 119.950 0.139 0.000 2.507 329 F HA 0.867 5.394 4.527 -0.000 0.000 0.325 329 F C 0.153 175.858 175.800 -0.158 0.000 1.116 329 F CA 0.007 57.989 58.000 -0.030 0.000 0.930 329 F CB 1.900 40.789 39.000 -0.186 0.000 1.146 329 F HN 0.556 nan 8.300 nan 0.000 0.447 330 G N 4.857 112.914 108.800 -1.238 0.000 2.348 330 G HA2 0.420 4.380 3.960 -0.000 0.000 0.296 330 G HA3 0.420 4.380 3.960 -0.000 0.000 0.296 330 G C -2.092 171.938 174.900 -1.451 0.000 1.258 330 G CA -0.822 43.649 45.100 -1.048 0.000 0.868 330 G HN 0.635 nan 8.290 nan 0.000 0.488 331 I N 0.672 120.826 120.570 -0.694 0.000 2.509 331 I HA 0.574 4.744 4.170 -0.000 0.000 0.293 331 I C -0.116 176.025 176.117 0.039 0.000 1.020 331 I CA -0.825 60.280 61.300 -0.325 0.000 1.088 331 I CB 2.228 40.160 38.000 -0.113 0.000 1.267 331 I HN 0.424 nan 8.210 nan 0.000 0.430 332 S N 6.306 122.104 115.700 0.163 0.000 2.472 332 S HA 0.703 5.173 4.470 -0.000 0.000 0.303 332 S C -1.146 173.535 174.600 0.135 0.000 1.099 332 S CA -0.551 57.791 58.200 0.238 0.000 1.077 332 S CB 1.145 64.512 63.200 0.279 0.000 1.031 332 S HN 0.456 nan 8.310 nan 0.000 0.487 333 L N 4.097 125.408 121.223 0.148 0.000 2.476 333 L HA 0.600 4.940 4.340 -0.000 0.000 0.269 333 L C -1.109 175.878 176.870 0.194 0.000 0.965 333 L CA -0.106 54.814 54.840 0.134 0.000 0.845 333 L CB 1.588 43.714 42.059 0.112 0.000 1.259 333 L HN 0.696 nan 8.230 nan 0.000 0.403 334 S N 4.027 119.836 115.700 0.181 0.000 2.472 334 S HA 0.865 5.335 4.470 -0.000 0.000 0.303 334 S C -0.294 174.377 174.600 0.119 0.000 1.099 334 S CA -0.468 57.849 58.200 0.196 0.000 1.077 334 S CB 1.435 64.803 63.200 0.280 0.000 1.031 334 S HN 0.880 nan 8.310 nan 0.000 0.487 335 C N 1.698 121.046 119.300 0.081 0.000 3.314 335 C HA 0.651 5.111 4.460 -0.000 0.000 0.344 335 C C -1.054 173.939 174.990 0.004 0.000 1.461 335 C CA -1.144 57.932 59.018 0.097 0.000 1.249 335 C CB -0.283 27.566 27.740 0.181 0.000 1.632 335 C HN 0.621 nan 8.230 nan 0.000 0.452 336 I N 2.257 122.837 120.570 0.016 0.000 2.648 336 I HA 0.224 4.394 4.170 -0.000 0.000 0.284 336 I C -1.135 174.790 176.117 -0.320 0.000 1.153 336 I CA -2.029 59.207 61.300 -0.108 0.000 1.426 336 I CB 0.306 38.294 38.000 -0.021 0.000 1.381 336 I HN 0.552 nan 8.210 nan 0.000 0.571 337 P HA -0.209 nan 4.420 nan 0.000 0.217 337 P C 1.258 178.169 177.300 -0.649 0.000 1.151 337 P CA 1.362 63.808 63.100 -1.090 0.000 0.849 337 P CB 0.278 31.320 31.700 -1.097 0.000 0.787 338 Q N -0.794 118.762 119.800 -0.408 0.000 2.124 338 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 338 Q C 2.193 177.985 176.000 -0.346 0.000 0.977 338 Q CA 1.942 57.561 55.803 -0.307 0.000 0.850 338 Q CB -1.404 27.206 28.738 -0.214 0.000 0.901 338 Q HN 0.215 nan 8.270 nan 0.000 0.429 339 A N 0.003 122.588 122.820 -0.392 0.000 2.119 339 A HA 0.191 4.511 4.320 -0.000 0.000 0.216 339 A C 2.160 179.510 177.584 -0.390 0.000 1.152 339 A CA 0.975 52.690 52.037 -0.536 0.000 0.708 339 A CB -0.659 17.922 19.000 -0.698 0.000 0.805 339 A HN 0.319 nan 8.150 nan 0.000 0.460 340 A N 1.215 123.811 122.820 -0.372 0.000 1.944 340 A HA -0.230 4.090 4.320 -0.000 0.000 0.222 340 A C 0.173 177.526 177.584 -0.385 0.000 1.237 340 A CA 2.471 54.220 52.037 -0.481 0.000 0.668 340 A CB -1.931 16.706 19.000 -0.606 0.000 0.830 340 A HN 0.470 nan 8.150 nan 0.000 0.471 341 P HA -0.131 nan 4.420 nan 0.000 0.221 341 P C 1.241 178.472 177.300 -0.115 0.000 1.145 341 P CA 1.435 64.435 63.100 -0.167 0.000 0.795 341 P CB -0.054 31.555 31.700 -0.151 0.000 0.775 342 Q N -1.471 118.228 119.800 -0.169 0.000 2.402 342 Q HA 0.156 4.496 4.340 -0.000 0.000 0.206 342 Q C 2.090 178.050 176.000 -0.067 0.000 0.919 342 Q CA 0.452 56.177 55.803 -0.130 0.000 0.923 342 Q CB -0.358 28.245 28.738 -0.226 0.000 1.048 342 Q HN 0.126 nan 8.270 nan 0.000 0.515 343 A N 0.961 123.769 122.820 -0.020 0.000 1.869 343 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 343 A C 2.287 179.913 177.584 0.070 0.000 1.203 343 A CA 1.991 54.075 52.037 0.080 0.000 0.638 343 A CB -1.103 18.047 19.000 0.250 0.000 0.831 343 A HN 0.209 nan 8.150 nan 0.000 0.450 344 V N -0.131 119.849 119.914 0.110 0.000 2.252 344 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 344 V C 2.588 178.651 176.094 -0.051 0.000 1.056 344 V CA 2.676 65.005 62.300 0.047 0.000 1.022 344 V CB -0.863 31.000 31.823 0.067 0.000 0.641 344 V HN 0.804 nan 8.190 nan 0.000 0.445 345 E N -0.146 120.018 120.200 -0.060 0.000 2.058 345 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 345 E C 2.150 178.637 176.600 -0.189 0.000 0.997 345 E CA 1.939 58.253 56.400 -0.144 0.000 0.801 345 E CB -0.145 29.534 29.700 -0.035 0.000 0.746 345 E HN 0.392 nan 8.360 nan 0.000 0.450 346 V N 1.212 121.055 119.914 -0.118 0.000 2.282 346 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 346 V C 2.351 178.379 176.094 -0.111 0.000 1.057 346 V CA 2.079 64.306 62.300 -0.121 0.000 1.032 346 V CB -0.505 31.208 31.823 -0.183 0.000 0.645 346 V HN 0.361 nan 8.190 nan 0.000 0.447 347 I N 0.290 120.800 120.570 -0.101 0.000 2.163 347 I HA -0.211 3.959 4.170 -0.000 0.000 0.240 347 I C 2.756 178.780 176.117 -0.155 0.000 1.081 347 I CA 1.447 62.695 61.300 -0.087 0.000 1.353 347 I CB -0.810 37.165 38.000 -0.041 0.000 1.054 347 I HN 0.284 nan 8.210 nan 0.000 0.407 348 A N 0.370 123.041 122.820 -0.249 0.000 1.903 348 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 348 A C 2.280 179.573 177.584 -0.486 0.000 1.191 348 A CA 2.041 53.831 52.037 -0.412 0.000 0.638 348 A CB -0.827 17.753 19.000 -0.699 0.000 0.823 348 A HN 0.504 nan 8.150 nan 0.000 0.451 349 Q N -1.310 118.185 119.800 -0.508 0.000 1.975 349 Q HA -0.242 4.098 4.340 -0.000 0.000 0.205 349 Q C 2.456 178.466 176.000 0.017 0.000 0.990 349 Q CA 1.671 57.373 55.803 -0.169 0.000 0.845 349 Q CB -0.261 28.456 28.738 -0.036 0.000 0.913 349 Q HN 0.634 nan 8.270 nan 0.000 0.420 350 Q N 0.117 119.912 119.800 -0.007 0.000 2.118 350 Q HA -0.221 4.118 4.340 -0.000 0.000 0.211 350 Q C 2.012 177.994 176.000 -0.030 0.000 0.998 350 Q CA 1.747 57.563 55.803 0.022 0.000 0.872 350 Q CB -0.480 28.258 28.738 0.001 0.000 0.925 350 Q HN 0.491 nan 8.270 nan 0.000 0.414 351 M N -1.110 118.383 119.600 -0.178 0.000 2.080 351 M HA -0.219 4.261 4.480 -0.000 0.000 0.260 351 M C 2.134 178.325 176.300 -0.181 0.000 1.068 351 M CA 1.719 56.697 55.300 -0.536 0.000 1.109 351 M CB -0.555 31.488 32.600 -0.928 0.000 1.342 351 M HN 0.184 nan 8.290 nan 0.000 0.405 352 Y N 1.755 121.974 120.300 -0.135 0.000 2.165 352 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 352 Y C 1.951 177.752 175.900 -0.166 0.000 1.155 352 Y CA 1.718 59.757 58.100 -0.102 0.000 1.164 352 Y CB -0.331 38.166 38.460 0.063 0.000 0.978 352 Y HN 0.287 nan 8.280 nan 0.000 0.513 353 N N -0.311 118.466 118.700 0.130 0.000 2.585 353 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 353 N C 1.545 177.082 175.510 0.044 0.000 1.102 353 N CA 1.473 54.573 53.050 0.082 0.000 0.920 353 N CB -0.604 37.987 38.487 0.174 0.000 0.963 353 N HN 0.622 nan 8.380 nan 0.000 0.447 354 T N -2.896 111.731 114.554 0.120 0.000 3.081 354 T HA 0.064 4.414 4.350 -0.000 0.000 0.255 354 T C 1.199 176.072 174.700 0.289 0.000 1.113 354 T CA 0.301 62.534 62.100 0.222 0.000 1.082 354 T CB -0.159 68.911 68.868 0.338 0.000 0.939 354 T HN 0.312 nan 8.240 nan 0.000 0.506 355 F N -0.745 119.154 119.950 -0.085 0.000 2.440 355 F HA 0.706 5.233 4.527 -0.000 0.000 0.341 355 F C 1.860 177.536 175.800 -0.206 0.000 0.812 355 F CA -0.282 57.654 58.000 -0.107 0.000 1.031 355 F CB -0.315 38.645 39.000 -0.066 0.000 0.993 355 F HN 0.064 nan 8.300 nan 0.000 0.667 356 A N 0.690 122.464 122.820 -1.744 0.000 2.067 356 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 356 A C 0.946 177.943 177.584 -0.977 0.000 1.156 356 A CA 0.885 51.999 52.037 -1.537 0.000 0.683 356 A CB -0.754 16.851 19.000 -2.326 0.000 0.808 356 A HN 0.416 nan 8.150 nan 0.000 0.455 357 N N 0.777 119.048 118.700 -0.715 0.000 2.420 357 N HA 0.074 4.814 4.740 -0.000 0.000 0.249 357 N C 0.774 176.215 175.510 -0.116 0.000 1.033 357 N CA 0.044 52.973 53.050 -0.202 0.000 0.944 357 N CB 1.044 39.550 38.487 0.031 0.000 1.113 357 N HN 0.503 nan 8.380 nan 0.000 0.502 358 K N 2.202 122.561 120.400 -0.068 0.000 2.283 358 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 358 K C -0.117 176.479 176.600 -0.008 0.000 1.048 358 K CA 1.042 57.306 56.287 -0.038 0.000 0.948 358 K CB 0.349 32.833 32.500 -0.027 0.000 0.742 358 K HN 0.348 nan 8.250 nan 0.000 0.458 359 D N 0.581 120.986 120.400 0.010 0.000 2.340 359 D HA 0.117 4.757 4.640 -0.000 0.000 0.217 359 D C 0.561 176.883 176.300 0.036 0.000 1.081 359 D CA 0.332 54.345 54.000 0.022 0.000 0.842 359 D CB 0.536 41.351 40.800 0.025 0.000 0.934 359 D HN 0.223 nan 8.370 nan 0.000 0.511 360 L N 0.448 121.694 121.223 0.039 0.000 3.483 360 L HA 0.196 4.536 4.340 -0.000 0.000 0.327 360 L C 0.306 177.207 176.870 0.051 0.000 1.318 360 L CA -0.474 54.407 54.840 0.068 0.000 0.979 360 L CB 0.936 43.060 42.059 0.110 0.000 1.404 360 L HN -0.272 nan 8.230 nan 0.000 0.615 361 R N 0.972 121.489 120.500 0.027 0.000 2.802 361 R HA 0.095 4.435 4.340 -0.000 0.000 0.264 361 R C -0.210 176.114 176.300 0.040 0.000 0.996 361 R CA 0.464 56.578 56.100 0.023 0.000 1.123 361 R CB 0.217 30.526 30.300 0.014 0.000 0.996 361 R HN 0.146 nan 8.270 nan 0.000 0.444 362 L N 2.728 123.977 121.223 0.043 0.000 2.410 362 L HA 0.136 4.476 4.340 -0.000 0.000 0.273 362 L C 0.974 177.865 176.870 0.035 0.000 1.144 362 L CA -0.148 54.719 54.840 0.045 0.000 0.863 362 L CB 0.492 42.579 42.059 0.047 0.000 1.140 362 L HN 0.775 nan 8.230 nan 0.000 0.463 363 T N -0.920 113.656 114.554 0.037 0.000 2.828 363 T HA 0.094 4.444 4.350 -0.000 0.000 0.290 363 T C 1.050 175.762 174.700 0.021 0.000 1.019 363 T CA -0.684 61.433 62.100 0.029 0.000 1.031 363 T CB 1.313 70.201 68.868 0.034 0.000 1.001 363 T HN 0.574 nan 8.240 nan 0.000 0.531 364 E N 0.859 121.067 120.200 0.014 0.000 2.110 364 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 364 E C 1.748 178.351 176.600 0.005 0.000 0.988 364 E CA 1.378 57.782 56.400 0.007 0.000 0.804 364 E CB -0.130 29.572 29.700 0.003 0.000 0.745 364 E HN 0.709 nan 8.360 nan 0.000 0.458 365 D N 0.698 121.101 120.400 0.005 0.000 2.097 365 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 365 D C 1.858 178.160 176.300 0.003 0.000 0.984 365 D CA 0.827 54.825 54.000 -0.002 0.000 0.826 365 D CB -0.008 40.790 40.800 -0.004 0.000 0.973 365 D HN 0.303 nan 8.370 nan 0.000 0.460 366 E N 0.564 120.775 120.200 0.018 0.000 2.033 366 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 366 E C 2.391 179.005 176.600 0.024 0.000 1.011 366 E CA 0.841 57.258 56.400 0.028 0.000 0.815 366 E CB -0.063 29.660 29.700 0.038 0.000 0.755 366 E HN 0.051 nan 8.360 nan 0.000 0.451 367 V N 1.068 120.995 119.914 0.021 0.000 2.332 367 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 367 V C 2.503 178.603 176.094 0.011 0.000 1.055 367 V CA 2.006 64.317 62.300 0.018 0.000 1.038 367 V CB -0.502 31.329 31.823 0.015 0.000 0.651 367 V HN 0.294 nan 8.190 nan 0.000 0.450 368 S N -0.387 115.315 115.700 0.003 0.000 2.368 368 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 368 S C 2.219 176.815 174.600 -0.005 0.000 1.029 368 S CA 1.736 59.933 58.200 -0.004 0.000 0.988 368 S CB -0.297 62.897 63.200 -0.010 0.000 0.838 368 S HN 0.569 nan 8.310 nan 0.000 0.462 369 R N 0.516 121.012 120.500 -0.007 0.000 2.066 369 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 369 R C 2.445 178.749 176.300 0.008 0.000 1.131 369 R CA 1.342 57.435 56.100 -0.010 0.000 0.955 369 R CB -0.800 29.488 30.300 -0.020 0.000 0.851 369 R HN 0.472 nan 8.270 nan 0.000 0.432 370 A N 1.557 124.389 122.820 0.020 0.000 1.859 370 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 370 A C 2.030 179.630 177.584 0.028 0.000 1.198 370 A CA 2.040 54.097 52.037 0.033 0.000 0.629 370 A CB -0.539 18.485 19.000 0.040 0.000 0.830 370 A HN 0.396 nan 8.150 nan 0.000 0.446 371 K N -0.386 120.026 120.400 0.019 0.000 2.074 371 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 371 K C 1.823 178.428 176.600 0.007 0.000 1.048 371 K CA 1.592 57.887 56.287 0.013 0.000 0.926 371 K CB -0.289 32.211 32.500 0.000 0.000 0.713 371 K HN 0.451 nan 8.250 nan 0.000 0.444 372 N N 0.923 119.624 118.700 0.002 0.000 2.244 372 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 372 N C 1.747 177.261 175.510 0.008 0.000 1.016 372 N CA 1.106 54.156 53.050 -0.001 0.000 0.866 372 N CB 0.017 38.499 38.487 -0.008 0.000 0.980 372 N HN 0.367 nan 8.380 nan 0.000 0.430 373 Q N 0.178 119.987 119.800 0.016 0.000 2.123 373 Q HA -0.055 4.285 4.340 -0.000 0.000 0.199 373 Q C 2.003 178.022 176.000 0.032 0.000 0.966 373 Q CA 0.535 56.353 55.803 0.024 0.000 0.845 373 Q CB -0.108 28.649 28.738 0.032 0.000 0.907 373 Q HN 0.193 nan 8.270 nan 0.000 0.439 374 L N 1.698 122.943 121.223 0.037 0.000 1.955 374 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 374 L C 1.971 178.866 176.870 0.042 0.000 1.072 374 L CA 1.950 56.819 54.840 0.049 0.000 0.755 374 L CB -0.526 41.571 42.059 0.063 0.000 0.888 374 L HN -0.010 nan 8.230 nan 0.000 0.432 375 K N -0.758 119.657 120.400 0.025 0.000 2.059 375 K HA -0.235 4.085 4.320 -0.000 0.000 0.212 375 K C 2.336 178.945 176.600 0.015 0.000 1.050 375 K CA 1.829 58.122 56.287 0.011 0.000 0.927 375 K CB -0.575 31.920 32.500 -0.008 0.000 0.714 375 K HN 0.475 nan 8.250 nan 0.000 0.447 376 S N 0.849 116.559 115.700 0.016 0.000 2.343 376 S HA -0.180 4.290 4.470 -0.000 0.000 0.219 376 S C 2.217 176.831 174.600 0.023 0.000 1.033 376 S CA 2.025 60.235 58.200 0.016 0.000 1.014 376 S CB -0.366 62.843 63.200 0.015 0.000 0.915 376 S HN 0.479 nan 8.310 nan 0.000 0.435 377 S N 1.506 117.224 115.700 0.029 0.000 2.370 377 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 377 S C 1.943 176.564 174.600 0.035 0.000 1.033 377 S CA 1.486 59.705 58.200 0.033 0.000 1.011 377 S CB -0.935 62.288 63.200 0.037 0.000 0.852 377 S HN 0.543 nan 8.310 nan 0.000 0.457 378 L N 0.816 122.063 121.223 0.039 0.000 1.948 378 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 378 L C 2.830 179.720 176.870 0.033 0.000 1.074 378 L CA 1.743 56.609 54.840 0.043 0.000 0.753 378 L CB -0.899 41.193 42.059 0.055 0.000 0.888 378 L HN 0.318 nan 8.230 nan 0.000 0.432 379 L N -0.859 120.379 121.223 0.026 0.000 2.021 379 L HA -0.320 4.020 4.340 -0.000 0.000 0.215 379 L C 2.746 179.629 176.870 0.022 0.000 1.074 379 L CA 1.637 56.488 54.840 0.019 0.000 0.760 379 L CB -0.449 41.617 42.059 0.011 0.000 0.889 379 L HN 0.376 nan 8.230 nan 0.000 0.433 380 M N -1.112 118.502 119.600 0.024 0.000 2.213 380 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 380 M C 2.014 178.332 176.300 0.030 0.000 1.062 380 M CA 1.693 57.009 55.300 0.026 0.000 1.105 380 M CB -0.604 32.011 32.600 0.025 0.000 1.385 380 M HN 0.368 nan 8.290 nan 0.000 0.417 381 N N 0.491 119.210 118.700 0.032 0.000 2.171 381 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 381 N C 1.425 176.957 175.510 0.037 0.000 1.021 381 N CA 0.607 53.678 53.050 0.035 0.000 0.854 381 N CB 0.262 38.770 38.487 0.035 0.000 0.994 381 N HN 0.184 nan 8.380 nan 0.000 0.426 382 L N 1.842 123.085 121.223 0.033 0.000 2.642 382 L HA -0.073 4.267 4.340 -0.000 0.000 0.236 382 L C 1.519 178.410 176.870 0.034 0.000 1.169 382 L CA 1.302 56.161 54.840 0.032 0.000 0.851 382 L CB -1.006 41.068 42.059 0.025 0.000 0.968 382 L HN 0.266 nan 8.230 nan 0.000 0.453 383 E N -0.970 119.251 120.200 0.036 0.000 2.409 383 E HA -0.080 4.270 4.350 -0.000 0.000 0.198 383 E C 0.861 177.492 176.600 0.051 0.000 1.024 383 E CA 0.065 56.487 56.400 0.038 0.000 0.861 383 E CB 0.206 29.929 29.700 0.038 0.000 0.788 383 E HN 0.187 nan 8.360 nan 0.000 0.521 384 S N 0.339 116.075 115.700 0.060 0.000 2.438 384 S HA 0.134 4.604 4.470 -0.000 0.000 0.293 384 S C 0.778 175.433 174.600 0.093 0.000 1.141 384 S CA -0.556 57.695 58.200 0.085 0.000 1.080 384 S CB 1.042 64.290 63.200 0.079 0.000 0.978 384 S HN 0.010 nan 8.310 nan 0.000 0.479 385 K N 3.486 123.960 120.400 0.124 0.000 2.074 385 K HA -0.097 4.223 4.320 -0.000 0.000 0.209 385 K C 1.574 178.256 176.600 0.137 0.000 1.048 385 K CA 1.283 57.644 56.287 0.123 0.000 0.926 385 K CB -0.165 32.437 32.500 0.170 0.000 0.713 385 K HN 0.518 nan 8.250 nan 0.000 0.444 386 L N 0.524 121.837 121.223 0.150 0.000 2.046 386 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 386 L C 2.286 179.217 176.870 0.100 0.000 1.077 386 L CA 1.442 56.355 54.840 0.121 0.000 0.747 386 L CB -0.939 41.175 42.059 0.092 0.000 0.896 386 L HN 0.018 nan 8.230 nan 0.000 0.432 387 V N -0.317 119.647 119.914 0.083 0.000 2.358 387 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 387 V C 2.559 178.686 176.094 0.056 0.000 1.047 387 V CA 1.584 63.922 62.300 0.065 0.000 1.035 387 V CB -0.432 31.423 31.823 0.053 0.000 0.658 387 V HN 0.500 nan 8.190 nan 0.000 0.452 388 E N 0.097 120.332 120.200 0.058 0.000 2.085 388 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 388 E C 2.172 178.798 176.600 0.043 0.000 0.994 388 E CA 1.745 58.171 56.400 0.044 0.000 0.801 388 E CB -0.186 29.544 29.700 0.049 0.000 0.743 388 E HN 0.433 nan 8.360 nan 0.000 0.453 389 L N 1.677 122.946 121.223 0.076 0.000 1.955 389 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 389 L C 2.416 179.310 176.870 0.040 0.000 1.072 389 L CA 2.623 57.518 54.840 0.092 0.000 0.755 389 L CB -0.825 41.325 42.059 0.152 0.000 0.888 389 L HN 0.280 nan 8.230 nan 0.000 0.432 390 E N -0.721 119.541 120.200 0.102 0.000 2.065 390 E HA -0.359 3.991 4.350 -0.000 0.000 0.201 390 E C 1.955 178.501 176.600 -0.090 0.000 1.016 390 E CA 1.934 58.383 56.400 0.082 0.000 0.818 390 E CB -0.350 29.435 29.700 0.142 0.000 0.749 390 E HN 0.736 nan 8.360 nan 0.000 0.453 391 D N -0.210 120.165 120.400 -0.041 0.000 2.133 391 D HA -0.247 4.393 4.640 -0.000 0.000 0.195 391 D C 2.185 178.409 176.300 -0.126 0.000 0.997 391 D CA 2.033 55.996 54.000 -0.062 0.000 0.840 391 D CB -0.177 40.609 40.800 -0.023 0.000 0.947 391 D HN 0.303 nan 8.370 nan 0.000 0.452 392 M N -0.448 119.074 119.600 -0.130 0.000 2.132 392 M HA -0.009 4.471 4.480 -0.000 0.000 0.263 392 M C 2.161 178.319 176.300 -0.235 0.000 1.065 392 M CA 2.002 57.215 55.300 -0.145 0.000 1.122 392 M CB -0.389 32.182 32.600 -0.048 0.000 1.365 392 M HN 0.156 nan 8.290 nan 0.000 0.411 393 G N 0.834 109.355 108.800 -0.465 0.000 2.459 393 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 393 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 393 G C 1.518 176.065 174.900 -0.588 0.000 1.183 393 G CA 0.944 45.500 45.100 -0.907 0.000 0.776 393 G HN 0.506 nan 8.290 nan 0.000 0.552 394 R N -0.002 120.223 120.500 -0.458 0.000 2.096 394 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 394 R C 2.786 178.958 176.300 -0.213 0.000 1.127 394 R CA 1.327 57.299 56.100 -0.214 0.000 0.968 394 R CB -0.350 29.887 30.300 -0.104 0.000 0.861 394 R HN 0.450 nan 8.270 nan 0.000 0.440 395 Q N 0.251 119.905 119.800 -0.243 0.000 2.046 395 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 395 Q C 2.303 178.053 176.000 -0.416 0.000 0.975 395 Q CA 1.483 57.066 55.803 -0.368 0.000 0.836 395 Q CB -0.022 28.587 28.738 -0.215 0.000 0.896 395 Q HN 0.179 nan 8.270 nan 0.000 0.428 396 V N 1.126 120.914 119.914 -0.209 0.000 2.295 396 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 396 V C 2.230 178.268 176.094 -0.092 0.000 1.049 396 V CA 1.427 63.679 62.300 -0.079 0.000 1.024 396 V CB -0.513 31.332 31.823 0.037 0.000 0.648 396 V HN 0.309 nan 8.190 nan 0.000 0.447 397 L N -0.998 120.162 121.223 -0.104 0.000 2.127 397 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 397 L C 2.168 178.997 176.870 -0.068 0.000 1.089 397 L CA 2.182 56.991 54.840 -0.053 0.000 0.757 397 L CB -0.428 41.619 42.059 -0.021 0.000 0.899 397 L HN 0.335 nan 8.230 nan 0.000 0.434 398 M N -1.774 117.726 119.600 -0.167 0.000 2.398 398 M HA -0.032 4.448 4.480 -0.000 0.000 0.261 398 M C 1.053 177.301 176.300 -0.087 0.000 1.125 398 M CA 1.107 56.325 55.300 -0.137 0.000 1.183 398 M CB -0.005 32.495 32.600 -0.166 0.000 1.322 398 M HN 0.452 nan 8.290 nan 0.000 0.467 399 H N -2.226 116.857 119.070 0.022 0.000 2.567 399 H HA 0.395 4.951 4.556 -0.000 0.000 0.267 399 H C 0.754 176.102 175.328 0.033 0.000 1.148 399 H CA 0.262 56.324 56.048 0.023 0.000 1.031 399 H CB -0.505 29.264 29.762 0.013 0.000 1.691 399 H HN 0.603 nan 8.280 nan 0.000 0.588 400 G N 2.617 111.435 108.800 0.030 0.000 2.361 400 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.294 400 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.294 400 G C 0.099 175.093 174.900 0.158 0.000 1.004 400 G CA 0.758 45.908 45.100 0.083 0.000 0.870 400 G HN 0.819 nan 8.290 nan 0.000 0.510 401 R N -2.123 118.475 120.500 0.164 0.000 2.664 401 R HA 0.696 5.036 4.340 -0.000 0.000 0.266 401 R C -1.083 175.205 176.300 -0.020 0.000 1.046 401 R CA -1.259 54.950 56.100 0.181 0.000 0.885 401 R CB 1.269 31.678 30.300 0.181 0.000 1.254 401 R HN 0.110 nan 8.270 nan 0.000 0.465 402 K N 3.020 123.164 120.400 -0.426 0.000 2.339 402 K HA 0.316 4.636 4.320 -0.000 0.000 0.264 402 K C -0.599 175.802 176.600 -0.333 0.000 0.986 402 K CA -0.711 55.240 56.287 -0.560 0.000 0.866 402 K CB 1.320 33.093 32.500 -1.211 0.000 1.103 402 K HN 0.712 nan 8.250 nan 0.000 0.441 403 I N 7.407 127.910 120.570 -0.111 0.000 2.587 403 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 403 I C -1.837 174.235 176.117 -0.074 0.000 1.134 403 I CA -1.603 59.665 61.300 -0.053 0.000 1.410 403 I CB 0.814 38.825 38.000 0.019 0.000 1.392 403 I HN 0.580 nan 8.210 nan 0.000 0.545 404 P HA -0.008 nan 4.420 nan 0.000 0.271 404 P C 0.944 178.226 177.300 -0.030 0.000 1.218 404 P CA -0.214 62.859 63.100 -0.044 0.000 0.780 404 P CB 1.146 32.835 31.700 -0.019 0.000 0.901 405 V N 2.821 122.720 119.914 -0.025 0.000 2.324 405 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 405 V C 2.301 178.374 176.094 -0.036 0.000 1.060 405 V CA 2.340 64.626 62.300 -0.022 0.000 1.042 405 V CB -1.711 30.103 31.823 -0.014 0.000 0.650 405 V HN 0.575 nan 8.190 nan 0.000 0.450 406 N N 0.127 118.808 118.700 -0.031 0.000 2.021 406 N HA -0.308 4.432 4.740 -0.000 0.000 0.198 406 N C 2.014 177.488 175.510 -0.060 0.000 1.041 406 N CA 1.820 54.847 53.050 -0.039 0.000 0.862 406 N CB -0.277 38.194 38.487 -0.026 0.000 1.048 406 N HN 0.629 nan 8.380 nan 0.000 0.427 407 E N 0.846 121.014 120.200 -0.053 0.000 2.097 407 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 407 E C 2.097 178.620 176.600 -0.128 0.000 1.000 407 E CA 1.116 57.476 56.400 -0.066 0.000 0.804 407 E CB -0.022 29.657 29.700 -0.035 0.000 0.740 407 E HN 0.340 nan 8.360 nan 0.000 0.454 408 M N 0.423 119.948 119.600 -0.125 0.000 2.059 408 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 408 M C 2.199 178.285 176.300 -0.356 0.000 1.072 408 M CA 1.664 56.814 55.300 -0.250 0.000 1.117 408 M CB -0.191 32.371 32.600 -0.064 0.000 1.320 408 M HN 0.164 nan 8.290 nan 0.000 0.408 409 I N -0.014 120.442 120.570 -0.189 0.000 2.145 409 I HA -0.358 3.812 4.170 -0.000 0.000 0.244 409 I C 2.434 178.444 176.117 -0.179 0.000 1.075 409 I CA 1.616 62.821 61.300 -0.158 0.000 1.332 409 I CB -0.593 37.354 38.000 -0.088 0.000 1.033 409 I HN 0.411 nan 8.210 nan 0.000 0.410 410 S N 0.638 116.244 115.700 -0.156 0.000 2.365 410 S HA -0.268 4.202 4.470 -0.000 0.000 0.221 410 S C 1.911 176.409 174.600 -0.170 0.000 1.037 410 S CA 1.669 59.790 58.200 -0.132 0.000 1.060 410 S CB -0.309 62.830 63.200 -0.102 0.000 0.974 410 S HN 0.361 nan 8.310 nan 0.000 0.427 411 K N 0.494 120.745 120.400 -0.249 0.000 2.160 411 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 411 K C 1.915 178.359 176.600 -0.260 0.000 1.047 411 K CA 1.237 57.366 56.287 -0.263 0.000 0.930 411 K CB -0.337 31.939 32.500 -0.374 0.000 0.720 411 K HN 0.404 nan 8.250 nan 0.000 0.450 412 I N 0.710 121.080 120.570 -0.333 0.000 2.333 412 I HA -0.206 3.964 4.170 -0.000 0.000 0.246 412 I C 1.964 178.025 176.117 -0.094 0.000 1.106 412 I CA 1.162 62.350 61.300 -0.186 0.000 1.411 412 I CB -0.223 37.675 38.000 -0.170 0.000 1.082 412 I HN 0.194 nan 8.210 nan 0.000 0.420 413 E N 0.885 121.026 120.200 -0.097 0.000 2.150 413 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 413 E C 1.219 177.790 176.600 -0.048 0.000 0.985 413 E CA 1.041 57.404 56.400 -0.061 0.000 0.814 413 E CB -0.098 29.567 29.700 -0.059 0.000 0.752 413 E HN 0.444 nan 8.360 nan 0.000 0.466 414 D N 0.531 120.898 120.400 -0.056 0.000 2.371 414 D HA -0.015 4.625 4.640 -0.000 0.000 0.221 414 D C 0.411 176.696 176.300 -0.026 0.000 0.986 414 D CA 0.434 54.411 54.000 -0.039 0.000 0.899 414 D CB -0.030 40.746 40.800 -0.041 0.000 0.902 414 D HN 0.128 nan 8.370 nan 0.000 0.530 415 L N 0.974 122.182 121.223 -0.024 0.000 2.455 415 L HA 0.080 4.419 4.340 -0.000 0.000 0.272 415 L C 0.592 177.457 176.870 -0.008 0.000 1.174 415 L CA 0.467 55.301 54.840 -0.009 0.000 0.869 415 L CB 0.491 42.550 42.059 0.000 0.000 1.130 415 L HN -0.317 nan 8.230 nan 0.000 0.474 416 K N 4.236 124.633 120.400 -0.006 0.000 2.318 416 K HA 0.341 4.661 4.320 -0.000 0.000 0.249 416 K C -1.787 174.812 176.600 -0.001 0.000 0.942 416 K CA -1.601 54.684 56.287 -0.004 0.000 0.808 416 K CB 1.840 34.337 32.500 -0.006 0.000 1.189 416 K HN 0.105 nan 8.250 nan 0.000 0.428 417 P HA -0.288 nan 4.420 nan 0.000 0.220 417 P C 0.175 177.479 177.300 0.006 0.000 1.155 417 P CA 1.491 64.595 63.100 0.007 0.000 0.880 417 P CB 0.212 31.919 31.700 0.010 0.000 0.790 418 D N -1.103 119.298 120.400 0.002 0.000 2.178 418 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 418 D C 1.419 177.714 176.300 -0.009 0.000 0.980 418 D CA 0.985 54.986 54.000 0.001 0.000 0.842 418 D CB -0.395 40.405 40.800 -0.001 0.000 0.948 418 D HN 0.267 nan 8.370 nan 0.000 0.472 419 D N 1.030 121.422 120.400 -0.012 0.000 2.078 419 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 419 D C 2.287 178.563 176.300 -0.039 0.000 0.990 419 D CA 0.454 54.441 54.000 -0.022 0.000 0.827 419 D CB -0.111 40.681 40.800 -0.013 0.000 0.975 419 D HN 0.157 nan 8.370 nan 0.000 0.451 420 I N 1.369 121.922 120.570 -0.028 0.000 2.194 420 I HA -0.213 3.957 4.170 -0.000 0.000 0.246 420 I C 2.455 178.544 176.117 -0.046 0.000 1.093 420 I CA 1.014 62.291 61.300 -0.039 0.000 1.355 420 I CB -1.381 36.615 38.000 -0.008 0.000 1.046 420 I HN -0.121 nan 8.210 nan 0.000 0.413 421 S N 0.143 115.835 115.700 -0.012 0.000 2.368 421 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 421 S C 2.130 176.709 174.600 -0.035 0.000 1.029 421 S CA 0.955 59.165 58.200 0.016 0.000 0.988 421 S CB -0.211 63.015 63.200 0.044 0.000 0.838 421 S HN 0.385 nan 8.310 nan 0.000 0.462 422 R N 1.019 121.485 120.500 -0.056 0.000 2.073 422 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 422 R C 2.134 178.330 176.300 -0.173 0.000 1.134 422 R CA 1.528 57.575 56.100 -0.089 0.000 0.952 422 R CB -0.635 29.626 30.300 -0.066 0.000 0.850 422 R HN 0.289 nan 8.270 nan 0.000 0.433 423 V N 1.339 121.140 119.914 -0.188 0.000 2.255 423 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 423 V C 2.616 178.457 176.094 -0.422 0.000 1.051 423 V CA 2.031 64.159 62.300 -0.287 0.000 1.018 423 V CB -1.007 30.651 31.823 -0.275 0.000 0.641 423 V HN 0.539 nan 8.190 nan 0.000 0.445 424 A N -0.331 122.265 122.820 -0.373 0.000 1.903 424 A HA -0.355 3.965 4.320 -0.000 0.000 0.219 424 A C 2.309 179.520 177.584 -0.622 0.000 1.191 424 A CA 2.463 54.237 52.037 -0.437 0.000 0.638 424 A CB -0.662 18.285 19.000 -0.088 0.000 0.823 424 A HN 0.682 nan 8.150 nan 0.000 0.451 425 E N -0.825 118.986 120.200 -0.648 0.000 2.077 425 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 425 E C 2.052 178.270 176.600 -0.636 0.000 0.989 425 E CA 1.396 57.197 56.400 -0.998 0.000 0.800 425 E CB -0.236 29.188 29.700 -0.461 0.000 0.746 425 E HN 0.688 nan 8.360 nan 0.000 0.452 426 M N 0.569 119.902 119.600 -0.445 0.000 2.065 426 M HA -0.201 4.279 4.480 -0.000 0.000 0.259 426 M C 1.841 177.886 176.300 -0.425 0.000 1.069 426 M CA 1.569 56.655 55.300 -0.355 0.000 1.110 426 M CB -0.108 32.316 32.600 -0.294 0.000 1.328 426 M HN 0.155 nan 8.290 nan 0.000 0.405 427 I N 0.556 120.783 120.570 -0.572 0.000 2.076 427 I HA -0.262 3.908 4.170 -0.000 0.000 0.237 427 I C 2.203 177.921 176.117 -0.665 0.000 1.059 427 I CA 1.777 62.690 61.300 -0.645 0.000 1.317 427 I CB -1.885 35.539 38.000 -0.959 0.000 1.037 427 I HN 0.278 nan 8.210 nan 0.000 0.398 428 F N 1.115 120.687 119.950 -0.631 0.000 2.664 428 F HA -0.082 4.444 4.527 -0.000 0.000 0.297 428 F C 2.131 177.458 175.800 -0.790 0.000 1.164 428 F CA 0.770 58.268 58.000 -0.838 0.000 1.472 428 F CB -1.325 37.360 39.000 -0.525 0.000 1.108 428 F HN 0.060 nan 8.300 nan 0.000 0.596 429 T N -1.598 112.705 114.554 -0.419 0.000 3.044 429 T HA 0.307 4.656 4.350 -0.000 0.000 0.260 429 T C 1.528 176.113 174.700 -0.192 0.000 1.019 429 T CA 0.510 62.470 62.100 -0.233 0.000 0.921 429 T CB 0.132 68.906 68.868 -0.158 0.000 1.053 429 T HN 0.325 nan 8.240 nan 0.000 0.533 430 G N 2.758 111.399 108.800 -0.266 0.000 2.198 430 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 430 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 430 G C 0.280 175.123 174.900 -0.094 0.000 1.042 430 G CA -0.190 44.844 45.100 -0.109 0.000 0.791 430 G HN 0.468 nan 8.290 nan 0.000 0.502 431 N N -0.117 118.494 118.700 -0.148 0.000 2.453 431 N HA 0.266 5.006 4.740 -0.000 0.000 0.270 431 N C 0.267 175.703 175.510 -0.124 0.000 1.195 431 N CA 0.145 53.127 53.050 -0.113 0.000 0.902 431 N CB 0.897 39.314 38.487 -0.116 0.000 1.186 431 N HN 0.263 nan 8.380 nan 0.000 0.510 432 V N 1.125 120.959 119.914 -0.133 0.000 2.472 432 V HA 0.362 4.481 4.120 -0.000 0.000 0.290 432 V C 0.134 176.187 176.094 -0.069 0.000 1.037 432 V CA -0.831 61.389 62.300 -0.134 0.000 0.908 432 V CB 1.765 33.473 31.823 -0.191 0.000 0.985 432 V HN 0.147 nan 8.190 nan 0.000 0.454 433 N N 3.956 122.637 118.700 -0.032 0.000 2.626 433 N HA 0.387 5.127 4.740 -0.000 0.000 0.249 433 N C -0.945 174.586 175.510 0.036 0.000 1.021 433 N CA -0.390 52.664 53.050 0.007 0.000 0.886 433 N CB 1.300 39.795 38.487 0.012 0.000 1.149 433 N HN 0.621 nan 8.380 nan 0.000 0.517 434 N N 0.235 118.960 118.700 0.043 0.000 2.502 434 N HA 0.340 5.080 4.740 -0.000 0.000 0.280 434 N C 1.251 176.804 175.510 0.071 0.000 1.223 434 N CA -0.516 52.575 53.050 0.069 0.000 0.966 434 N CB 0.961 39.496 38.487 0.079 0.000 1.203 434 N HN 0.346 nan 8.380 nan 0.000 0.565 435 A N 0.539 123.404 122.820 0.075 0.000 1.927 435 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 435 A C 1.845 179.473 177.584 0.073 0.000 1.185 435 A CA 2.394 54.471 52.037 0.067 0.000 0.639 435 A CB -1.345 17.696 19.000 0.068 0.000 0.820 435 A HN 0.725 nan 8.150 nan 0.000 0.451 436 G N -1.209 107.646 108.800 0.092 0.000 2.679 436 G HA2 0.006 3.966 3.960 -0.000 0.000 0.212 436 G HA3 0.006 3.966 3.960 -0.000 0.000 0.212 436 G C 0.605 175.565 174.900 0.100 0.000 1.137 436 G CA 0.840 46.002 45.100 0.104 0.000 0.787 436 G HN 0.932 nan 8.290 nan 0.000 0.534 437 N N -0.696 118.056 118.700 0.087 0.000 2.671 437 N HA -0.088 4.652 4.740 -0.000 0.000 0.261 437 N C 0.587 176.156 175.510 0.099 0.000 1.053 437 N CA 0.748 53.843 53.050 0.076 0.000 0.732 437 N CB -1.171 37.353 38.487 0.062 0.000 0.887 437 N HN 0.433 nan 8.380 nan 0.000 0.546 438 G N 1.274 110.147 108.800 0.123 0.000 2.572 438 G HA2 0.368 4.328 3.960 -0.000 0.000 0.261 438 G HA3 0.368 4.328 3.960 -0.000 0.000 0.261 438 G C 0.254 175.256 174.900 0.170 0.000 1.197 438 G CA -0.618 44.595 45.100 0.188 0.000 0.870 438 G HN 0.351 nan 8.290 nan 0.000 0.548 439 K N -0.310 120.231 120.400 0.235 0.000 2.136 439 K HA 0.228 4.548 4.320 -0.000 0.000 0.237 439 K C 1.154 177.889 176.600 0.225 0.000 1.048 439 K CA 0.179 56.581 56.287 0.192 0.000 0.880 439 K CB 0.590 33.186 32.500 0.160 0.000 1.105 439 K HN 0.500 nan 8.250 nan 0.000 0.507 440 G N 0.179 109.091 108.800 0.186 0.000 3.651 440 G HA2 0.033 3.993 3.960 -0.000 0.000 0.279 440 G HA3 0.033 3.993 3.960 -0.000 0.000 0.279 440 G C 0.412 175.485 174.900 0.288 0.000 1.024 440 G CA -0.200 45.012 45.100 0.187 0.000 0.813 440 G HN 0.368 nan 8.290 nan 0.000 0.518 441 R N 0.448 121.126 120.500 0.296 0.000 2.679 441 R HA 0.600 4.940 4.340 -0.000 0.000 0.269 441 R C 0.225 176.713 176.300 0.313 0.000 1.076 441 R CA -0.062 56.187 56.100 0.249 0.000 1.160 441 R CB 0.620 30.991 30.300 0.118 0.000 1.054 441 R HN 0.091 nan 8.270 nan 0.000 0.507 442 A N 1.603 124.507 122.820 0.140 0.000 2.279 442 A HA 0.406 4.726 4.320 -0.000 0.000 0.303 442 A C -0.729 176.746 177.584 -0.181 0.000 1.108 442 A CA -0.494 51.398 52.037 -0.242 0.000 0.830 442 A CB 1.292 19.980 19.000 -0.519 0.000 1.106 442 A HN 0.716 nan 8.150 nan 0.000 0.493 443 T N 1.229 115.640 114.554 -0.238 0.000 2.758 443 T HA 0.521 4.871 4.350 -0.000 0.000 0.285 443 T C -0.790 173.817 174.700 -0.156 0.000 0.981 443 T CA -0.195 61.808 62.100 -0.162 0.000 0.965 443 T CB 0.809 69.610 68.868 -0.112 0.000 0.927 443 T HN 0.432 nan 8.240 nan 0.000 0.448 444 V N 4.317 124.150 119.914 -0.136 0.000 2.409 444 V HA 0.545 4.665 4.120 -0.000 0.000 0.290 444 V C -0.431 175.580 176.094 -0.138 0.000 1.017 444 V CA -0.754 61.469 62.300 -0.129 0.000 0.841 444 V CB 1.675 33.422 31.823 -0.127 0.000 1.003 444 V HN 0.654 nan 8.190 nan 0.000 0.426 445 V N 7.732 127.565 119.914 -0.134 0.000 2.604 445 V HA 0.813 4.933 4.120 -0.000 0.000 0.305 445 V C -0.449 175.530 176.094 -0.191 0.000 1.043 445 V CA -0.406 61.811 62.300 -0.139 0.000 0.888 445 V CB 1.824 33.589 31.823 -0.096 0.000 0.995 445 V HN 0.923 nan 8.190 nan 0.000 0.429 446 M N 4.510 123.966 119.600 -0.239 0.000 2.569 446 M HA 0.631 5.111 4.480 -0.000 0.000 0.279 446 M C -1.558 174.633 176.300 -0.182 0.000 1.253 446 M CA -0.782 54.322 55.300 -0.327 0.000 0.867 446 M CB 2.232 34.307 32.600 -0.875 0.000 1.727 446 M HN 0.610 nan 8.290 nan 0.000 0.467 447 Q N 0.830 120.590 119.800 -0.067 0.000 2.337 447 Q HA 0.773 5.113 4.340 -0.000 0.000 0.266 447 Q C -0.505 175.402 176.000 -0.155 0.000 1.023 447 Q CA 0.239 56.030 55.803 -0.019 0.000 0.829 447 Q CB 2.254 31.075 28.738 0.139 0.000 1.306 447 Q HN 1.185 nan 8.270 nan 0.000 0.449 448 G N 2.651 111.204 108.800 -0.412 0.000 2.316 448 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.349 448 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.349 448 G C -1.669 172.842 174.900 -0.648 0.000 1.274 448 G CA -0.563 43.752 45.100 -1.308 0.000 1.018 448 G HN 0.753 nan 8.290 nan 0.000 0.486 449 D N -0.619 119.431 120.400 -0.583 0.000 2.351 449 D HA 0.517 5.157 4.640 -0.000 0.000 0.251 449 D C 1.540 177.886 176.300 0.076 0.000 1.137 449 D CA -0.281 53.676 54.000 -0.071 0.000 0.879 449 D CB 1.268 42.124 40.800 0.094 0.000 1.181 449 D HN 0.606 nan 8.370 nan 0.000 0.448 450 R N 3.258 123.805 120.500 0.078 0.000 2.080 450 R HA -0.076 4.264 4.340 -0.000 0.000 0.236 450 R C 2.104 178.513 176.300 0.182 0.000 1.137 450 R CA 2.250 58.434 56.100 0.140 0.000 0.943 450 R CB -1.088 29.247 30.300 0.058 0.000 0.846 450 R HN 0.626 nan 8.270 nan 0.000 0.431 451 G N -0.709 108.154 108.800 0.105 0.000 2.469 451 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 451 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 451 G C 1.502 176.449 174.900 0.078 0.000 1.150 451 G CA 1.161 46.309 45.100 0.081 0.000 0.763 451 G HN 0.436 nan 8.290 nan 0.000 0.561 452 S N 0.382 116.118 115.700 0.060 0.000 2.423 452 S HA -0.124 4.346 4.470 -0.000 0.000 0.238 452 S C 1.720 176.201 174.600 -0.199 0.000 1.028 452 S CA 1.140 59.301 58.200 -0.066 0.000 1.000 452 S CB -0.337 62.843 63.200 -0.034 0.000 0.797 452 S HN 0.408 nan 8.310 nan 0.000 0.487 453 F N 1.050 121.031 119.950 0.052 0.000 2.754 453 F HA 0.318 4.845 4.527 -0.000 0.000 0.297 453 F C 1.764 177.573 175.800 0.015 0.000 1.122 453 F CA 0.349 58.369 58.000 0.033 0.000 1.400 453 F CB -0.426 38.589 39.000 0.025 0.000 1.117 453 F HN 0.325 nan 8.300 nan 0.000 0.587 454 G N 0.282 109.170 108.800 0.147 0.000 2.693 454 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.226 454 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.226 454 G C -0.591 174.365 174.900 0.093 0.000 1.354 454 G CA -0.305 44.849 45.100 0.090 0.000 0.873 454 G HN 0.183 nan 8.290 nan 0.000 0.562 455 D N 0.713 121.154 120.400 0.068 0.000 2.470 455 D HA 0.322 4.962 4.640 -0.000 0.000 0.226 455 D C 1.990 178.330 176.300 0.067 0.000 1.196 455 D CA 0.395 54.431 54.000 0.060 0.000 0.979 455 D CB 0.541 41.370 40.800 0.048 0.000 1.059 455 D HN 0.322 nan 8.370 nan 0.000 0.515 456 V N 3.712 123.666 119.914 0.067 0.000 2.255 456 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 456 V C 2.424 178.554 176.094 0.059 0.000 1.051 456 V CA 1.986 64.321 62.300 0.058 0.000 1.018 456 V CB -0.588 31.251 31.823 0.026 0.000 0.641 456 V HN 0.566 nan 8.190 nan 0.000 0.445 457 E N 0.418 120.650 120.200 0.053 0.000 2.118 457 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 457 E C 2.058 178.708 176.600 0.084 0.000 0.992 457 E CA 1.764 58.204 56.400 0.066 0.000 0.804 457 E CB -0.180 29.553 29.700 0.054 0.000 0.741 457 E HN 0.627 nan 8.360 nan 0.000 0.458 458 N N -0.395 118.349 118.700 0.074 0.000 2.043 458 N HA -0.163 4.577 4.740 -0.000 0.000 0.193 458 N C 1.716 177.289 175.510 0.106 0.000 1.037 458 N CA 1.777 54.873 53.050 0.077 0.000 0.851 458 N CB -0.171 38.352 38.487 0.061 0.000 1.027 458 N HN 0.036 nan 8.380 nan 0.000 0.422 459 V N 0.942 120.924 119.914 0.113 0.000 2.392 459 V HA -0.224 3.896 4.120 -0.000 0.000 0.249 459 V C 2.299 178.523 176.094 0.217 0.000 1.059 459 V CA 1.359 63.757 62.300 0.163 0.000 1.051 459 V CB -0.601 31.287 31.823 0.107 0.000 0.658 459 V HN 0.337 nan 8.190 nan 0.000 0.455 460 L N -0.683 120.636 121.223 0.160 0.000 2.027 460 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 460 L C 2.659 179.670 176.870 0.234 0.000 1.074 460 L CA 1.716 56.674 54.840 0.196 0.000 0.745 460 L CB -0.536 41.635 42.059 0.186 0.000 0.898 460 L HN 0.272 nan 8.230 nan 0.000 0.433 461 K N -0.071 120.437 120.400 0.179 0.000 2.057 461 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 461 K C 2.221 178.904 176.600 0.138 0.000 1.049 461 K CA 1.278 57.656 56.287 0.150 0.000 0.931 461 K CB -0.296 32.269 32.500 0.107 0.000 0.714 461 K HN 0.280 nan 8.250 nan 0.000 0.440 462 A N 0.969 123.870 122.820 0.134 0.000 1.884 462 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 462 A C 1.639 179.210 177.584 -0.021 0.000 1.197 462 A CA 1.627 53.690 52.037 0.043 0.000 0.637 462 A CB -0.953 18.079 19.000 0.052 0.000 0.827 462 A HN 0.353 nan 8.150 nan 0.000 0.450 463 Y N -0.254 120.048 120.300 0.003 0.000 2.553 463 Y HA 0.317 4.866 4.550 -0.000 0.000 0.303 463 Y C 1.838 177.833 175.900 0.158 0.000 1.194 463 Y CA 0.228 58.326 58.100 -0.002 0.000 1.305 463 Y CB -0.572 37.881 38.460 -0.011 0.000 1.045 463 Y HN 0.512 nan 8.280 nan 0.000 0.514 464 G N 0.436 109.378 108.800 0.236 0.000 2.179 464 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 464 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 464 G C 0.027 175.075 174.900 0.247 0.000 1.010 464 G CA 0.098 45.330 45.100 0.219 0.000 0.736 464 G HN 0.308 nan 8.290 nan 0.000 0.513 465 L N -0.088 121.294 121.223 0.265 0.000 2.375 465 L HA 0.630 4.970 4.340 -0.000 0.000 0.271 465 L C 1.375 178.356 176.870 0.185 0.000 1.107 465 L CA 0.380 55.346 54.840 0.211 0.000 0.806 465 L CB 1.119 43.357 42.059 0.298 0.000 1.146 465 L HN 1.062 nan 8.230 nan 0.000 0.447 466 G N 2.311 111.112 108.800 0.000 0.000 2.681 466 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 466 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 466 G C -1.118 173.838 174.900 0.092 0.000 1.353 466 G CA -0.281 44.919 45.100 0.166 0.000 0.872 466 G HN 0.855 nan 8.290 nan 0.000 0.557 467 N N -0.921 117.857 118.700 0.130 0.000 2.324 467 N HA 0.643 5.383 4.740 -0.000 0.000 0.285 467 N C -0.162 175.405 175.510 0.095 0.000 1.076 467 N CA 1.126 54.228 53.050 0.087 0.000 0.864 467 N CB 1.834 40.355 38.487 0.056 0.000 1.632 467 N HN 1.871 nan 8.380 nan 0.000 0.478 468 S N 0.000 115.745 115.700 0.075 0.000 2.498 468 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 468 S CA 0.000 58.240 58.200 0.066 0.000 1.107 468 S CB 0.000 63.238 63.200 0.063 0.000 0.593 468 S HN 0.000 nan 8.310 nan 0.000 0.517