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 3i4z_1_B DATA FIRST_RESID 3 DATA SEQUENCE AANASSAEAY RVLSRAFRFD NEDQKLWWHS TAPMFAKMLE TANYTTPCQY DATA SEQUENCE QYLITYKECV IPSLGCYPTN SAPRWLSILT RYGTPFELSL NCSNSIVRYT DATA SEQUENCE FEPINQHTGT DKDPFNTHAI WESLQHLLPL EKSIDLEWFR HFKHDLTLNS DATA SEQUENCE EESAFLAHND RLVGGTIRTQ NKLALDLKDG RFALKTYIYP ALKAVVTGKT DATA SEQUENCE IHELVFGSVR RLAVREPRIL PPLNMLEEYI RSRGSKSTAS PRLVSCDLTS DATA SEQUENCE PAKSRIKIYL LEQMVSLEAM EDLWTLGGRR RDASTLEGLS LVRELWDLIQ DATA SEQUENCE LSPGLKSYPA PYLPLGVIPD ERLPLMANFT LHQNDPVPEP QVYFTTFGMN DATA SEQUENCE DMAVADALTT FFERRGWSEM ARTYETTLKS YYPHADHDKL NYLHAYISFS DATA SEQUENCE YRDRTPYLSV YLQSFETGDW A 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.570 177.584 -0.023 0.000 1.274 3 A CA 0.000 52.028 52.037 -0.014 0.000 0.836 3 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 4 A N 0.536 123.328 122.820 -0.047 0.000 2.282 4 A HA 0.728 5.048 4.320 -0.000 0.000 0.319 4 A C -0.208 177.341 177.584 -0.058 0.000 1.121 4 A CA -0.448 51.561 52.037 -0.046 0.000 0.836 4 A CB 0.533 19.496 19.000 -0.062 0.000 1.146 4 A HN 0.350 nan 8.150 nan 0.000 0.494 5 N N 0.257 118.934 118.700 -0.039 0.000 2.410 5 N HA 0.415 5.155 4.740 -0.000 0.000 0.287 5 N C 0.532 176.028 175.510 -0.023 0.000 1.044 5 N CA 0.169 53.190 53.050 -0.048 0.000 0.881 5 N CB 2.010 40.478 38.487 -0.032 0.000 1.405 5 N HN 0.588 nan 8.380 nan 0.000 0.490 6 A N 2.461 125.262 122.820 -0.032 0.000 2.024 6 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 6 A C 1.833 179.384 177.584 -0.056 0.000 1.164 6 A CA 1.620 53.648 52.037 -0.016 0.000 0.643 6 A CB -0.311 18.698 19.000 0.015 0.000 0.806 6 A HN 0.653 nan 8.150 nan 0.000 0.451 7 S N 0.194 115.861 115.700 -0.056 0.000 2.500 7 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 7 S C 2.045 176.766 174.600 0.202 0.000 0.989 7 S CA 1.256 59.473 58.200 0.028 0.000 0.951 7 S CB -0.335 62.916 63.200 0.085 0.000 0.759 7 S HN 0.906 nan 8.310 nan 0.000 0.523 8 S N 1.277 117.048 115.700 0.118 0.000 2.527 8 S HA 0.344 4.814 4.470 -0.000 0.000 0.222 8 S C 0.830 175.506 174.600 0.127 0.000 0.985 8 S CA 0.116 58.388 58.200 0.119 0.000 0.921 8 S CB -0.282 62.961 63.200 0.072 0.000 0.772 8 S HN 0.425 nan 8.310 nan 0.000 0.529 9 A N 2.004 124.904 122.820 0.132 0.000 2.561 9 A HA 0.117 4.437 4.320 -0.000 0.000 0.251 9 A C 1.217 178.882 177.584 0.136 0.000 1.062 9 A CA 0.278 52.384 52.037 0.116 0.000 0.761 9 A CB -0.319 18.735 19.000 0.090 0.000 0.986 9 A HN 0.642 nan 8.150 nan 0.000 0.510 10 E N 2.943 123.197 120.200 0.090 0.000 2.058 10 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 10 E C 2.074 178.705 176.600 0.052 0.000 0.997 10 E CA 1.608 58.058 56.400 0.085 0.000 0.801 10 E CB -0.127 29.631 29.700 0.097 0.000 0.746 10 E HN 0.870 nan 8.360 nan 0.000 0.450 11 A N 0.174 122.957 122.820 -0.061 0.000 1.933 11 A HA -0.209 4.110 4.320 -0.000 0.000 0.218 11 A C 2.035 179.566 177.584 -0.089 0.000 1.175 11 A CA 1.541 53.363 52.037 -0.359 0.000 0.628 11 A CB -0.887 17.718 19.000 -0.659 0.000 0.814 11 A HN 0.613 nan 8.150 nan 0.000 0.444 12 Y N 0.671 120.947 120.300 -0.040 0.000 2.145 12 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 12 Y C 2.408 178.426 175.900 0.196 0.000 1.145 12 Y CA 2.032 60.185 58.100 0.089 0.000 1.148 12 Y CB -0.360 38.075 38.460 -0.042 0.000 0.981 12 Y HN 0.253 nan 8.280 nan 0.000 0.507 13 R N -0.573 119.830 120.500 -0.162 0.000 2.075 13 R HA -0.095 4.244 4.340 -0.000 0.000 0.232 13 R C 2.223 178.454 176.300 -0.116 0.000 1.126 13 R CA 1.515 57.489 56.100 -0.209 0.000 0.963 13 R CB -0.625 29.663 30.300 -0.019 0.000 0.858 13 R HN 0.288 nan 8.270 nan 0.000 0.435 14 V N 1.654 121.549 119.914 -0.031 0.000 2.307 14 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 14 V C 2.341 178.370 176.094 -0.109 0.000 1.045 14 V CA 1.601 63.900 62.300 -0.003 0.000 1.024 14 V CB -0.418 31.498 31.823 0.155 0.000 0.651 14 V HN 0.268 nan 8.190 nan 0.000 0.449 15 L N -0.136 120.991 121.223 -0.159 0.000 2.083 15 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 15 L C 2.601 179.086 176.870 -0.642 0.000 1.083 15 L CA 1.506 55.986 54.840 -0.600 0.000 0.752 15 L CB -0.624 41.071 42.059 -0.605 0.000 0.899 15 L HN 0.308 nan 8.230 nan 0.000 0.433 16 S N -0.386 115.210 115.700 -0.175 0.000 2.399 16 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 16 S C 1.967 176.562 174.600 -0.009 0.000 1.022 16 S CA 1.065 59.290 58.200 0.040 0.000 0.983 16 S CB -0.197 63.066 63.200 0.105 0.000 0.803 16 S HN 0.400 nan 8.310 nan 0.000 0.480 17 R N 0.721 121.168 120.500 -0.088 0.000 2.189 17 R HA 0.108 4.448 4.340 -0.000 0.000 0.218 17 R C 2.152 178.383 176.300 -0.115 0.000 1.074 17 R CA 1.032 57.090 56.100 -0.070 0.000 0.991 17 R CB -0.200 30.061 30.300 -0.065 0.000 0.883 17 R HN 0.395 nan 8.270 nan 0.000 0.457 18 A N 0.425 123.100 122.820 -0.242 0.000 2.014 18 A HA 0.148 4.468 4.320 -0.000 0.000 0.210 18 A C 0.315 177.772 177.584 -0.211 0.000 1.188 18 A CA 0.007 51.884 52.037 -0.267 0.000 0.731 18 A CB 0.210 18.967 19.000 -0.405 0.000 0.858 18 A HN 0.015 nan 8.150 nan 0.000 0.464 19 F N 1.007 120.769 119.950 -0.313 0.000 2.412 19 F HA 0.416 4.943 4.527 -0.000 0.000 0.348 19 F C 0.959 176.436 175.800 -0.539 0.000 1.102 19 F CA -1.066 56.602 58.000 -0.555 0.000 1.196 19 F CB 0.543 38.960 39.000 -0.972 0.000 1.144 19 F HN 0.139 nan 8.300 nan 0.000 0.541 20 R N 3.178 123.481 120.500 -0.327 0.000 2.308 20 R HA 0.449 4.789 4.340 -0.000 0.000 0.305 20 R C -1.818 174.118 176.300 -0.605 0.000 1.053 20 R CA -0.183 55.731 56.100 -0.310 0.000 0.957 20 R CB 0.321 30.501 30.300 -0.200 0.000 1.022 20 R HN 0.425 nan 8.270 nan 0.000 0.461 21 F N 2.518 122.439 119.950 -0.049 0.000 2.529 21 F HA 0.247 4.774 4.527 -0.000 0.000 0.320 21 F C 0.368 176.151 175.800 -0.029 0.000 1.118 21 F CA -0.792 57.173 58.000 -0.058 0.000 0.915 21 F CB 2.199 41.188 39.000 -0.018 0.000 1.161 21 F HN 0.571 nan 8.300 nan 0.000 0.445 22 D N 0.826 121.305 120.400 0.131 0.000 2.354 22 D HA 0.040 4.680 4.640 -0.000 0.000 0.209 22 D C -0.103 176.252 176.300 0.091 0.000 1.015 22 D CA 0.693 54.740 54.000 0.077 0.000 0.867 22 D CB 0.107 40.923 40.800 0.026 0.000 0.933 22 D HN 0.575 nan 8.370 nan 0.000 0.520 23 N N -1.065 117.711 118.700 0.127 0.000 2.455 23 N HA 0.123 4.863 4.740 -0.000 0.000 0.278 23 N C 0.481 176.048 175.510 0.095 0.000 1.291 23 N CA -0.523 52.587 53.050 0.101 0.000 0.780 23 N CB 1.356 39.896 38.487 0.088 0.000 1.520 23 N HN -0.439 nan 8.380 nan 0.000 0.486 24 E N 0.027 120.266 120.200 0.065 0.000 2.106 24 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 24 E C 0.270 176.889 176.600 0.031 0.000 0.984 24 E CA 1.044 57.460 56.400 0.026 0.000 0.806 24 E CB -0.186 29.526 29.700 0.019 0.000 0.750 24 E HN 0.629 nan 8.360 nan 0.000 0.458 25 D N 0.779 121.244 120.400 0.108 0.000 2.123 25 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 25 D C 1.957 178.416 176.300 0.265 0.000 0.992 25 D CA 1.078 55.201 54.000 0.205 0.000 0.833 25 D CB -0.071 40.892 40.800 0.271 0.000 0.954 25 D HN 0.337 nan 8.370 nan 0.000 0.455 26 Q N 0.394 120.311 119.800 0.196 0.000 2.123 26 Q HA -0.102 4.238 4.340 -0.000 0.000 0.199 26 Q C 2.192 178.107 176.000 -0.142 0.000 0.966 26 Q CA 0.771 56.685 55.803 0.184 0.000 0.845 26 Q CB 0.011 28.893 28.738 0.241 0.000 0.907 26 Q HN 0.189 nan 8.270 nan 0.000 0.439 27 K N 1.089 121.210 120.400 -0.466 0.000 2.057 27 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 27 K C 1.964 178.400 176.600 -0.273 0.000 1.049 27 K CA 1.004 56.709 56.287 -0.970 0.000 0.931 27 K CB -0.039 32.152 32.500 -0.515 0.000 0.714 27 K HN 0.140 nan 8.250 nan 0.000 0.440 28 L N -0.785 120.349 121.223 -0.149 0.000 2.056 28 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 28 L C 2.313 179.099 176.870 -0.141 0.000 1.078 28 L CA 1.289 55.995 54.840 -0.223 0.000 0.749 28 L CB -0.500 41.149 42.059 -0.684 0.000 0.901 28 L HN 0.368 nan 8.230 nan 0.000 0.433 29 W N -0.181 121.130 121.300 0.017 0.000 2.338 29 W HA -0.290 4.370 4.660 -0.000 0.000 0.304 29 W C 2.605 179.143 176.519 0.032 0.000 1.212 29 W CA 1.117 58.545 57.345 0.139 0.000 1.264 29 W CB -0.362 29.166 29.460 0.112 0.000 1.142 29 W HN 0.344 nan 8.180 nan 0.000 0.512 30 W N 0.048 121.393 121.300 0.075 0.000 2.354 30 W HA -0.233 4.427 4.660 -0.000 0.000 0.315 30 W C 1.933 178.482 176.519 0.050 0.000 1.206 30 W CA 1.889 59.241 57.345 0.011 0.000 1.290 30 W CB -0.923 28.482 29.460 -0.091 0.000 1.152 30 W HN -0.009 nan 8.180 nan 0.000 0.489 31 H N -0.299 118.836 119.070 0.108 0.000 2.495 31 H HA -0.089 4.467 4.556 -0.000 0.000 0.287 31 H C 2.484 177.833 175.328 0.036 0.000 1.033 31 H CA 1.536 57.643 56.048 0.098 0.000 1.307 31 H CB -0.448 29.470 29.762 0.260 0.000 1.401 31 H HN 0.144 nan 8.280 nan 0.000 0.555 32 S N 0.224 115.955 115.700 0.051 0.000 2.368 32 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 32 S C 2.258 176.698 174.600 -0.266 0.000 1.029 32 S CA 1.921 59.894 58.200 -0.379 0.000 0.988 32 S CB -0.060 62.721 63.200 -0.698 0.000 0.838 32 S HN 0.677 nan 8.310 nan 0.000 0.462 33 T N -1.767 112.710 114.554 -0.129 0.000 3.000 33 T HA 0.480 4.830 4.350 -0.000 0.000 0.248 33 T C 1.866 176.437 174.700 -0.214 0.000 1.034 33 T CA 0.591 62.645 62.100 -0.076 0.000 1.060 33 T CB -0.306 68.563 68.868 0.002 0.000 0.983 33 T HN 0.298 nan 8.240 nan 0.000 0.482 34 A N 2.822 125.372 122.820 -0.450 0.000 1.969 34 A HA 0.237 4.556 4.320 -0.000 0.000 0.218 34 A C 0.081 177.295 177.584 -0.617 0.000 1.169 34 A CA 0.819 52.466 52.037 -0.650 0.000 0.635 34 A CB -1.426 16.585 19.000 -1.647 0.000 0.810 34 A HN 0.436 nan 8.150 nan 0.000 0.445 35 P HA -0.202 nan 4.420 nan 0.000 0.215 35 P C 1.900 178.977 177.300 -0.373 0.000 1.157 35 P CA 1.525 64.165 63.100 -0.767 0.000 0.868 35 P CB -0.187 31.066 31.700 -0.746 0.000 0.788 36 M N -1.964 117.402 119.600 -0.390 0.000 2.086 36 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 36 M C 2.084 178.164 176.300 -0.367 0.000 1.067 36 M CA 1.914 56.901 55.300 -0.522 0.000 1.116 36 M CB -0.703 31.469 32.600 -0.714 0.000 1.348 36 M HN -0.155 nan 8.290 nan 0.000 0.407 37 F N 0.506 120.217 119.950 -0.399 0.000 2.069 37 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 37 F C 2.288 177.948 175.800 -0.233 0.000 1.113 37 F CA 1.206 59.019 58.000 -0.312 0.000 1.214 37 F CB -0.165 38.634 39.000 -0.335 0.000 0.978 37 F HN 0.315 nan 8.300 nan 0.000 0.474 38 A N 0.065 122.873 122.820 -0.021 0.000 1.877 38 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 38 A C 1.954 179.544 177.584 0.010 0.000 1.186 38 A CA 1.992 53.994 52.037 -0.058 0.000 0.620 38 A CB -0.739 18.237 19.000 -0.039 0.000 0.822 38 A HN 0.378 nan 8.150 nan 0.000 0.443 39 K N -0.343 120.072 120.400 0.025 0.000 2.097 39 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 39 K C 1.997 178.694 176.600 0.162 0.000 1.049 39 K CA 1.935 58.288 56.287 0.109 0.000 0.933 39 K CB -0.418 32.195 32.500 0.188 0.000 0.717 39 K HN 0.495 nan 8.250 nan 0.000 0.442 40 M N -0.143 119.538 119.600 0.135 0.000 2.086 40 M HA -0.136 4.343 4.480 -0.000 0.000 0.261 40 M C 1.700 178.061 176.300 0.102 0.000 1.067 40 M CA 1.554 56.937 55.300 0.138 0.000 1.116 40 M CB -0.077 32.517 32.600 -0.009 0.000 1.348 40 M HN 0.197 nan 8.290 nan 0.000 0.407 41 L N -0.156 121.096 121.223 0.049 0.000 2.046 41 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 41 L C 2.334 179.295 176.870 0.153 0.000 1.077 41 L CA 1.484 56.300 54.840 -0.040 0.000 0.747 41 L CB -0.808 41.158 42.059 -0.155 0.000 0.896 41 L HN 0.367 nan 8.230 nan 0.000 0.432 42 E N -0.244 120.025 120.200 0.116 0.000 2.058 42 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 42 E C 2.179 178.861 176.600 0.138 0.000 0.997 42 E CA 2.067 58.543 56.400 0.128 0.000 0.801 42 E CB -0.145 29.609 29.700 0.089 0.000 0.746 42 E HN 0.613 nan 8.360 nan 0.000 0.450 43 T N -1.172 113.457 114.554 0.125 0.000 2.951 43 T HA 0.047 4.397 4.350 -0.000 0.000 0.268 43 T C 1.794 176.563 174.700 0.116 0.000 1.073 43 T CA 0.850 63.010 62.100 0.100 0.000 1.134 43 T CB 0.010 68.922 68.868 0.073 0.000 0.884 43 T HN 0.109 nan 8.240 nan 0.000 0.479 44 A N 1.397 124.326 122.820 0.181 0.000 2.276 44 A HA 0.324 4.644 4.320 -0.000 0.000 0.212 44 A C 0.870 178.576 177.584 0.204 0.000 1.230 44 A CA 0.214 52.377 52.037 0.210 0.000 0.844 44 A CB -1.125 18.069 19.000 0.323 0.000 0.860 44 A HN 0.695 nan 8.150 nan 0.000 0.486 45 N N -2.775 116.035 118.700 0.183 0.000 2.776 45 N HA -0.197 4.543 4.740 -0.000 0.000 0.250 45 N C -0.783 174.795 175.510 0.114 0.000 1.112 45 N CA 0.526 53.643 53.050 0.113 0.000 0.733 45 N CB -1.950 36.554 38.487 0.028 0.000 1.097 45 N HN 0.666 nan 8.380 nan 0.000 0.558 46 Y N 1.127 121.484 120.300 0.094 0.000 2.411 46 Y HA 0.080 4.630 4.550 -0.000 0.000 0.333 46 Y C 1.816 177.783 175.900 0.112 0.000 1.186 46 Y CA 0.151 58.328 58.100 0.129 0.000 1.381 46 Y CB 0.555 39.126 38.460 0.184 0.000 1.273 46 Y HN 0.068 nan 8.280 nan 0.000 0.546 47 T N -1.364 113.319 114.554 0.215 0.000 2.856 47 T HA -0.015 4.335 4.350 -0.000 0.000 0.306 47 T C 1.228 176.046 174.700 0.197 0.000 1.062 47 T CA -0.273 61.922 62.100 0.158 0.000 1.083 47 T CB 0.917 69.851 68.868 0.110 0.000 0.984 47 T HN 0.766 nan 8.240 nan 0.000 0.542 48 T N 2.971 117.628 114.554 0.172 0.000 2.684 48 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 48 T C -0.765 174.112 174.700 0.295 0.000 1.036 48 T CA 1.654 63.897 62.100 0.237 0.000 1.148 48 T CB -1.321 67.671 68.868 0.207 0.000 0.863 48 T HN 0.601 nan 8.240 nan 0.000 0.436 49 P HA 0.035 nan 4.420 nan 0.000 0.217 49 P C 1.440 178.812 177.300 0.121 0.000 1.150 49 P CA 0.692 63.869 63.100 0.128 0.000 0.832 49 P CB -0.208 31.521 31.700 0.049 0.000 0.787 50 C N -1.030 118.343 119.300 0.122 0.000 2.446 50 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 50 C C 2.713 177.778 174.990 0.125 0.000 1.275 50 C CA 0.884 59.944 59.018 0.070 0.000 1.727 50 C CB -1.587 26.340 27.740 0.313 0.000 2.010 50 C HN 0.323 nan 8.230 nan 0.000 0.486 51 Q N -0.712 119.208 119.800 0.199 0.000 2.030 51 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 51 Q C 1.959 177.943 176.000 -0.027 0.000 0.986 51 Q CA 2.051 57.896 55.803 0.071 0.000 0.843 51 Q CB -0.344 28.391 28.738 -0.006 0.000 0.904 51 Q HN 0.764 nan 8.270 nan 0.000 0.420 52 Y N 0.856 121.174 120.300 0.029 0.000 2.145 52 Y HA -0.276 4.273 4.550 -0.000 0.000 0.286 52 Y C 2.627 178.532 175.900 0.007 0.000 1.145 52 Y CA 1.685 59.794 58.100 0.015 0.000 1.148 52 Y CB -0.337 38.116 38.460 -0.012 0.000 0.981 52 Y HN 0.214 nan 8.280 nan 0.000 0.507 53 Q N -0.663 119.190 119.800 0.089 0.000 2.061 53 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 53 Q C 1.818 177.824 176.000 0.009 0.000 0.984 53 Q CA 2.060 57.849 55.803 -0.025 0.000 0.846 53 Q CB -0.380 28.240 28.738 -0.197 0.000 0.902 53 Q HN 0.527 nan 8.270 nan 0.000 0.421 54 Y N 0.390 120.759 120.300 0.115 0.000 2.242 54 Y HA -0.132 4.418 4.550 -0.000 0.000 0.291 54 Y C 2.101 178.000 175.900 -0.001 0.000 1.137 54 Y CA 0.825 58.980 58.100 0.091 0.000 1.181 54 Y CB -0.294 38.208 38.460 0.069 0.000 0.989 54 Y HN 0.120 nan 8.280 nan 0.000 0.527 55 L N -0.934 120.319 121.223 0.050 0.000 2.093 55 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 55 L C 2.123 179.171 176.870 0.297 0.000 1.085 55 L CA 1.112 55.995 54.840 0.072 0.000 0.755 55 L CB -0.498 41.620 42.059 0.098 0.000 0.904 55 L HN 0.190 nan 8.230 nan 0.000 0.435 56 I N -0.774 119.948 120.570 0.252 0.000 2.202 56 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 56 I C 2.468 178.639 176.117 0.091 0.000 1.091 56 I CA 1.394 62.832 61.300 0.231 0.000 1.368 56 I CB -0.432 37.692 38.000 0.207 0.000 1.058 56 I HN 0.181 nan 8.210 nan 0.000 0.410 57 T N -0.022 114.615 114.554 0.139 0.000 2.788 57 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 57 T C 1.763 176.529 174.700 0.110 0.000 1.044 57 T CA 1.465 63.635 62.100 0.117 0.000 1.139 57 T CB -0.421 68.550 68.868 0.172 0.000 0.867 57 T HN 0.347 nan 8.240 nan 0.000 0.454 58 Y N 2.511 122.838 120.300 0.045 0.000 2.097 58 Y HA -0.128 4.422 4.550 -0.000 0.000 0.282 58 Y C 2.466 178.292 175.900 -0.122 0.000 1.152 58 Y CA 1.520 59.603 58.100 -0.028 0.000 1.136 58 Y CB -0.306 38.130 38.460 -0.041 0.000 0.975 58 Y HN -0.086 nan 8.280 nan 0.000 0.498 59 K N 0.776 121.003 120.400 -0.288 0.000 2.057 59 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 59 K C 1.798 178.084 176.600 -0.524 0.000 1.049 59 K CA 2.155 58.101 56.287 -0.569 0.000 0.931 59 K CB -0.236 31.690 32.500 -0.957 0.000 0.714 59 K HN 0.595 nan 8.250 nan 0.000 0.440 60 E N -0.643 119.319 120.200 -0.397 0.000 2.112 60 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 60 E C 2.128 178.584 176.600 -0.241 0.000 0.979 60 E CA 1.095 57.304 56.400 -0.318 0.000 0.814 60 E CB 0.103 29.665 29.700 -0.230 0.000 0.762 60 E HN 0.350 nan 8.360 nan 0.000 0.460 61 C N -0.175 119.022 119.300 -0.171 0.000 2.700 61 C HA 0.150 4.610 4.460 -0.000 0.000 0.297 61 C C 2.410 177.327 174.990 -0.121 0.000 1.293 61 C CA -0.232 58.734 59.018 -0.087 0.000 1.756 61 C CB 0.077 27.835 27.740 0.030 0.000 2.210 61 C HN 0.173 nan 8.230 nan 0.000 0.553 62 V N 0.350 120.099 119.914 -0.273 0.000 2.806 62 V HA 0.105 4.225 4.120 -0.000 0.000 0.239 62 V C 2.097 177.850 176.094 -0.569 0.000 1.113 62 V CA 0.846 62.850 62.300 -0.493 0.000 1.137 62 V CB -0.400 31.114 31.823 -0.514 0.000 0.865 62 V HN 0.375 nan 8.190 nan 0.000 0.482 63 I N 1.079 121.235 120.570 -0.691 0.000 2.185 63 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 63 I C -0.527 175.369 176.117 -0.367 0.000 1.088 63 I CA 1.937 62.854 61.300 -0.638 0.000 1.347 63 I CB -1.224 36.449 38.000 -0.545 0.000 1.041 63 I HN 0.359 nan 8.210 nan 0.000 0.415 64 P HA -0.043 nan 4.420 nan 0.000 0.234 64 P C 1.035 178.297 177.300 -0.063 0.000 1.167 64 P CA 1.063 64.097 63.100 -0.112 0.000 0.763 64 P CB 0.111 31.747 31.700 -0.107 0.000 0.835 65 S N -1.236 114.406 115.700 -0.097 0.000 2.572 65 S HA 0.228 4.698 4.470 -0.000 0.000 0.228 65 S C 1.153 175.742 174.600 -0.018 0.000 0.963 65 S CA -0.048 58.158 58.200 0.011 0.000 0.939 65 S CB -0.420 62.865 63.200 0.141 0.000 0.804 65 S HN 0.151 nan 8.310 nan 0.000 0.480 66 L N 1.226 122.331 121.223 -0.196 0.000 2.592 66 L HA 0.277 4.616 4.340 -0.000 0.000 0.227 66 L C 1.395 178.307 176.870 0.070 0.000 1.127 66 L CA -0.006 54.655 54.840 -0.298 0.000 0.884 66 L CB -0.808 40.513 42.059 -1.230 0.000 1.065 66 L HN 0.454 nan 8.230 nan 0.000 0.457 67 G N -0.218 108.663 108.800 0.135 0.000 2.645 67 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.246 67 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.246 67 G C -0.025 175.111 174.900 0.393 0.000 1.322 67 G CA -0.480 44.762 45.100 0.236 0.000 0.898 67 G HN 0.191 nan 8.290 nan 0.000 0.573 68 C N -0.650 118.839 119.300 0.315 0.000 2.700 68 C HA 0.414 4.873 4.460 -0.000 0.000 0.397 68 C C 0.889 176.076 174.990 0.327 0.000 1.301 68 C CA 0.180 59.377 59.018 0.299 0.000 2.219 68 C CB -0.059 27.794 27.740 0.189 0.000 2.699 68 C HN 0.655 nan 8.230 nan 0.000 0.669 69 Y N 3.011 123.356 120.300 0.074 0.000 2.544 69 Y HA 0.253 4.803 4.550 -0.000 0.000 0.330 69 Y C -2.086 173.742 175.900 -0.120 0.000 1.136 69 Y CA -1.651 56.291 58.100 -0.263 0.000 1.417 69 Y CB 0.111 38.424 38.460 -0.245 0.000 1.229 69 Y HN 0.518 nan 8.280 nan 0.000 0.532 70 P HA 0.155 nan 4.420 nan 0.000 0.271 70 P C -0.966 176.165 177.300 -0.282 0.000 1.226 70 P CA 0.181 63.002 63.100 -0.465 0.000 0.765 70 P CB 0.736 32.087 31.700 -0.582 0.000 0.835 71 T N -0.740 113.774 114.554 -0.067 0.000 2.812 71 T HA 0.348 4.698 4.350 -0.000 0.000 0.294 71 T C 0.653 175.375 174.700 0.037 0.000 1.159 71 T CA -0.743 61.382 62.100 0.041 0.000 1.008 71 T CB 1.045 69.982 68.868 0.115 0.000 1.289 71 T HN 0.012 nan 8.240 nan 0.000 0.514 72 N N 0.168 118.903 118.700 0.060 0.000 2.467 72 N HA 0.114 4.854 4.740 -0.000 0.000 0.184 72 N C 1.089 176.632 175.510 0.055 0.000 1.106 72 N CA 0.300 53.386 53.050 0.060 0.000 0.892 72 N CB 0.050 38.572 38.487 0.059 0.000 0.969 72 N HN 0.591 nan 8.380 nan 0.000 0.454 73 S N -0.584 115.150 115.700 0.057 0.000 2.540 73 S HA 0.417 4.887 4.470 -0.000 0.000 0.218 73 S C 0.534 175.164 174.600 0.050 0.000 0.977 73 S CA -0.448 57.783 58.200 0.051 0.000 0.918 73 S CB 0.783 64.016 63.200 0.054 0.000 0.806 73 S HN 0.348 nan 8.310 nan 0.000 0.496 74 A N 1.956 124.807 122.820 0.051 0.000 2.515 74 A HA 0.723 5.042 4.320 -0.000 0.000 0.298 74 A C -3.134 174.477 177.584 0.045 0.000 1.059 74 A CA -1.804 50.264 52.037 0.051 0.000 0.698 74 A CB 0.416 19.454 19.000 0.063 0.000 1.289 74 A HN 0.018 nan 8.150 nan 0.000 0.404 75 P HA 0.297 nan 4.420 nan 0.000 0.262 75 P C -0.498 176.835 177.300 0.054 0.000 1.182 75 P CA 0.416 63.541 63.100 0.041 0.000 0.761 75 P CB 0.259 31.987 31.700 0.047 0.000 0.795 76 R N 2.096 122.616 120.500 0.034 0.000 2.764 76 R HA 0.418 4.758 4.340 -0.000 0.000 0.270 76 R C -1.327 175.009 176.300 0.060 0.000 1.014 76 R CA -1.027 55.114 56.100 0.068 0.000 0.904 76 R CB 1.063 31.381 30.300 0.030 0.000 1.236 76 R HN 0.406 nan 8.270 nan 0.000 0.466 77 W N 4.133 125.408 121.300 -0.042 0.000 2.304 77 W HA 0.294 4.954 4.660 -0.000 0.000 0.313 77 W C -1.274 175.164 176.519 -0.135 0.000 1.323 77 W CA -0.521 56.781 57.345 -0.072 0.000 1.223 77 W CB 0.748 30.196 29.460 -0.021 0.000 1.237 77 W HN 0.441 nan 8.180 nan 0.000 0.535 78 L N 6.471 127.150 121.223 -0.907 0.000 2.255 78 L HA 0.131 4.471 4.340 -0.000 0.000 0.289 78 L C 0.673 177.129 176.870 -0.690 0.000 1.046 78 L CA -0.157 54.223 54.840 -0.768 0.000 0.816 78 L CB 1.129 42.590 42.059 -0.998 0.000 1.197 78 L HN 0.280 nan 8.230 nan 0.000 0.427 79 S N 2.037 117.567 115.700 -0.283 0.000 2.585 79 S HA 0.290 4.760 4.470 -0.000 0.000 0.277 79 S C 0.910 175.404 174.600 -0.177 0.000 1.241 79 S CA -0.603 57.543 58.200 -0.091 0.000 1.041 79 S CB 1.012 64.267 63.200 0.090 0.000 0.987 79 S HN 0.557 nan 8.310 nan 0.000 0.512 80 I N 4.704 125.147 120.570 -0.212 0.000 3.176 80 I HA 0.039 4.208 4.170 -0.000 0.000 0.275 80 I C 1.616 177.598 176.117 -0.224 0.000 1.298 80 I CA 0.613 61.745 61.300 -0.279 0.000 1.445 80 I CB -0.335 37.368 38.000 -0.495 0.000 1.075 80 I HN 0.740 nan 8.210 nan 0.000 0.482 81 L N 0.056 121.192 121.223 -0.145 0.000 2.083 81 L HA -0.027 4.312 4.340 -0.000 0.000 0.209 81 L C 1.181 178.015 176.870 -0.060 0.000 1.083 81 L CA 1.841 56.629 54.840 -0.087 0.000 0.752 81 L CB -0.790 41.260 42.059 -0.015 0.000 0.899 81 L HN 0.513 nan 8.230 nan 0.000 0.433 82 T N -4.964 109.545 114.554 -0.075 0.000 2.901 82 T HA 0.359 4.709 4.350 -0.000 0.000 0.293 82 T C 0.896 175.478 174.700 -0.196 0.000 1.084 82 T CA -0.852 61.199 62.100 -0.082 0.000 1.008 82 T CB 1.359 70.242 68.868 0.025 0.000 1.170 82 T HN -0.020 nan 8.240 nan 0.000 0.509 83 R N 0.054 120.328 120.500 -0.377 0.000 2.235 83 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 83 R C 0.632 176.617 176.300 -0.525 0.000 1.059 83 R CA 0.901 56.651 56.100 -0.584 0.000 0.997 83 R CB -0.640 28.963 30.300 -1.161 0.000 0.884 83 R HN 0.734 nan 8.270 nan 0.000 0.462 84 Y N -0.582 119.663 120.300 -0.092 0.000 2.457 84 Y HA 0.219 4.769 4.550 -0.000 0.000 0.263 84 Y C 1.589 177.430 175.900 -0.098 0.000 1.164 84 Y CA 0.342 58.411 58.100 -0.051 0.000 1.274 84 Y CB 0.231 38.614 38.460 -0.129 0.000 1.097 84 Y HN 0.234 nan 8.280 nan 0.000 0.523 85 G N 0.846 109.606 108.800 -0.067 0.000 2.155 85 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.257 85 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.257 85 G C 0.410 175.234 174.900 -0.128 0.000 0.983 85 G CA 0.492 45.480 45.100 -0.185 0.000 0.676 85 G HN 0.468 nan 8.290 nan 0.000 0.528 86 T N -1.216 113.285 114.554 -0.088 0.000 2.913 86 T HA 0.618 4.968 4.350 -0.000 0.000 0.297 86 T C -1.272 173.514 174.700 0.143 0.000 1.029 86 T CA -0.969 61.113 62.100 -0.030 0.000 1.104 86 T CB 2.416 71.121 68.868 -0.271 0.000 0.964 86 T HN 0.098 nan 8.240 nan 0.000 0.532 87 P HA 0.307 nan 4.420 nan 0.000 0.254 87 P C -0.934 176.576 177.300 0.350 0.000 1.620 87 P CA -0.283 62.980 63.100 0.271 0.000 1.050 87 P CB -0.473 31.395 31.700 0.280 0.000 1.539 88 F N 0.479 120.534 119.950 0.176 0.000 2.581 88 F HA 0.597 5.124 4.527 -0.000 0.000 0.311 88 F C -1.398 174.494 175.800 0.153 0.000 1.113 88 F CA -0.926 57.173 58.000 0.166 0.000 0.935 88 F CB 2.450 41.512 39.000 0.103 0.000 1.232 88 F HN -0.242 nan 8.300 nan 0.000 0.445 89 E N 6.480 126.260 120.200 -0.701 0.000 2.311 89 E HA 0.414 4.764 4.350 -0.000 0.000 0.281 89 E C -1.928 174.234 176.600 -0.731 0.000 0.905 89 E CA -0.623 55.442 56.400 -0.558 0.000 0.778 89 E CB 1.686 31.295 29.700 -0.152 0.000 1.240 89 E HN 0.765 nan 8.360 nan 0.000 0.410 90 L N 2.341 123.157 121.223 -0.678 0.000 2.399 90 L HA 0.511 4.851 4.340 -0.000 0.000 0.266 90 L C 0.159 176.843 176.870 -0.309 0.000 1.114 90 L CA -0.211 54.313 54.840 -0.527 0.000 0.804 90 L CB 1.632 43.371 42.059 -0.534 0.000 1.146 90 L HN 0.423 nan 8.230 nan 0.000 0.451 91 S N 2.100 117.624 115.700 -0.293 0.000 2.546 91 S HA 0.692 5.162 4.470 -0.000 0.000 0.274 91 S C -1.534 172.917 174.600 -0.248 0.000 1.121 91 S CA -0.624 57.363 58.200 -0.355 0.000 0.887 91 S CB 1.603 64.459 63.200 -0.574 0.000 1.094 91 S HN 0.414 nan 8.310 nan 0.000 0.474 92 L N 4.232 125.339 121.223 -0.193 0.000 2.356 92 L HA 0.622 4.962 4.340 -0.000 0.000 0.277 92 L C -0.576 176.269 176.870 -0.043 0.000 0.996 92 L CA -0.373 54.432 54.840 -0.059 0.000 0.822 92 L CB 1.709 43.794 42.059 0.044 0.000 1.256 92 L HN 0.753 nan 8.230 nan 0.000 0.413 93 N N 4.027 122.723 118.700 -0.007 0.000 2.402 93 N HA 0.054 4.794 4.740 -0.000 0.000 0.252 93 N C 0.510 176.040 175.510 0.033 0.000 1.118 93 N CA -0.017 53.061 53.050 0.047 0.000 0.945 93 N CB 0.828 39.355 38.487 0.066 0.000 1.147 93 N HN 0.850 nan 8.380 nan 0.000 0.495 94 C N 1.579 120.915 119.300 0.059 0.000 2.468 94 C HA 0.023 4.483 4.460 -0.000 0.000 0.277 94 C C 2.434 177.220 174.990 -0.340 0.000 1.400 94 C CA 0.166 59.142 59.018 -0.070 0.000 1.770 94 C CB -0.902 26.858 27.740 0.032 0.000 1.905 94 C HN 0.719 nan 8.230 nan 0.000 0.519 95 S N 1.831 117.379 115.700 -0.254 0.000 2.395 95 S HA -0.093 4.376 4.470 -0.000 0.000 0.225 95 S C 1.409 175.771 174.600 -0.396 0.000 1.027 95 S CA 1.307 59.165 58.200 -0.570 0.000 0.965 95 S CB -0.422 62.689 63.200 -0.147 0.000 0.812 95 S HN 0.924 nan 8.310 nan 0.000 0.482 96 N N -0.426 118.189 118.700 -0.142 0.000 2.177 96 N HA 0.147 4.887 4.740 -0.000 0.000 0.218 96 N C -0.555 174.907 175.510 -0.081 0.000 1.182 96 N CA 0.168 53.164 53.050 -0.090 0.000 0.882 96 N CB 0.538 39.044 38.487 0.031 0.000 1.052 96 N HN -0.028 nan 8.380 nan 0.000 0.519 97 S N 0.750 116.397 115.700 -0.088 0.000 3.581 97 S HA -0.121 4.349 4.470 -0.000 0.000 0.354 97 S C -0.090 174.555 174.600 0.076 0.000 1.059 97 S CA 0.403 58.592 58.200 -0.018 0.000 1.060 97 S CB -1.256 61.917 63.200 -0.045 0.000 0.908 97 S HN 0.478 nan 8.310 nan 0.000 0.475 98 I N 1.652 122.272 120.570 0.083 0.000 2.321 98 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 98 I C 0.679 176.882 176.117 0.142 0.000 0.998 98 I CA -0.507 60.885 61.300 0.152 0.000 1.227 98 I CB 1.250 39.302 38.000 0.087 0.000 1.368 98 I HN -0.034 nan 8.210 nan 0.000 0.466 99 V N 7.694 127.730 119.914 0.205 0.000 2.546 99 V HA 0.411 4.531 4.120 -0.000 0.000 0.284 99 V C 0.495 176.571 176.094 -0.031 0.000 1.050 99 V CA -0.572 61.740 62.300 0.019 0.000 0.981 99 V CB 1.561 33.330 31.823 -0.089 0.000 0.990 99 V HN 0.742 nan 8.190 nan 0.000 0.474 100 R N 3.728 124.176 120.500 -0.087 0.000 2.807 100 R HA 0.653 4.993 4.340 -0.000 0.000 0.276 100 R C -1.746 174.479 176.300 -0.126 0.000 0.979 100 R CA -0.614 55.427 56.100 -0.099 0.000 0.928 100 R CB 2.175 32.444 30.300 -0.052 0.000 1.191 100 R HN 0.762 nan 8.270 nan 0.000 0.471 101 Y N -1.428 118.755 120.300 -0.194 0.000 2.553 101 Y HA 0.620 5.170 4.550 -0.000 0.000 0.347 101 Y C -1.367 174.504 175.900 -0.048 0.000 1.019 101 Y CA -0.935 56.986 58.100 -0.297 0.000 1.032 101 Y CB 2.107 40.278 38.460 -0.481 0.000 1.284 101 Y HN 0.391 nan 8.280 nan 0.000 0.466 102 T N 4.257 118.857 114.554 0.076 0.000 2.887 102 T HA 0.719 5.069 4.350 -0.000 0.000 0.288 102 T C -1.296 173.603 174.700 0.333 0.000 1.021 102 T CA -0.636 61.554 62.100 0.150 0.000 1.000 102 T CB 1.129 70.014 68.868 0.030 0.000 1.034 102 T HN 0.711 nan 8.240 nan 0.000 0.467 103 F N -0.521 119.528 119.950 0.166 0.000 2.686 103 F HA 0.732 5.259 4.527 -0.000 0.000 0.311 103 F C -0.887 174.997 175.800 0.140 0.000 1.128 103 F CA -1.251 56.871 58.000 0.203 0.000 0.946 103 F CB 1.604 40.806 39.000 0.338 0.000 1.336 103 F HN 0.499 nan 8.300 nan 0.000 0.457 104 E N 2.986 123.301 120.200 0.192 0.000 2.092 104 E HA 0.453 4.803 4.350 -0.000 0.000 0.271 104 E C -2.733 173.945 176.600 0.131 0.000 0.919 104 E CA -2.456 53.969 56.400 0.040 0.000 0.760 104 E CB 1.401 31.170 29.700 0.115 0.000 1.106 104 E HN 0.326 nan 8.360 nan 0.000 0.408 105 P HA 0.028 nan 4.420 nan 0.000 0.264 105 P C -0.868 176.444 177.300 0.020 0.000 1.193 105 P CA 0.650 63.837 63.100 0.145 0.000 0.763 105 P CB 0.391 32.118 31.700 0.045 0.000 0.810 106 I N 3.061 123.657 120.570 0.042 0.000 2.647 106 I HA 0.437 4.607 4.170 -0.000 0.000 0.295 106 I C 0.115 176.230 176.117 -0.004 0.000 1.078 106 I CA -0.625 60.637 61.300 -0.064 0.000 1.048 106 I CB 2.302 40.290 38.000 -0.019 0.000 1.239 106 I HN 0.389 nan 8.210 nan 0.000 0.421 107 N N 3.313 121.995 118.700 -0.030 0.000 3.229 107 N HA 0.214 4.954 4.740 -0.000 0.000 0.315 107 N C 0.136 175.614 175.510 -0.052 0.000 1.520 107 N CA -0.852 52.194 53.050 -0.006 0.000 0.769 107 N CB 0.283 38.791 38.487 0.035 0.000 1.766 107 N HN 0.617 nan 8.380 nan 0.000 0.618 108 Q N -1.281 118.440 119.800 -0.131 0.000 2.226 108 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 108 Q C 0.351 176.217 176.000 -0.223 0.000 0.975 108 Q CA 1.416 57.098 55.803 -0.202 0.000 0.866 108 Q CB -0.531 28.025 28.738 -0.304 0.000 0.915 108 Q HN 0.576 nan 8.270 nan 0.000 0.440 109 H N 0.711 119.800 119.070 0.031 0.000 2.535 109 H HA 0.138 4.694 4.556 -0.000 0.000 0.273 109 H C 0.273 175.596 175.328 -0.008 0.000 0.983 109 H CA 0.726 56.792 56.048 0.030 0.000 1.238 109 H CB 0.026 29.823 29.762 0.057 0.000 1.412 109 H HN 0.161 nan 8.280 nan 0.000 0.562 110 T N 0.745 115.304 114.554 0.009 0.000 2.822 110 T HA 0.202 4.551 4.350 -0.000 0.000 0.288 110 T C 1.292 175.945 174.700 -0.078 0.000 0.991 110 T CA 1.105 63.094 62.100 -0.185 0.000 1.176 110 T CB 0.212 68.867 68.868 -0.355 0.000 0.951 110 T HN 0.675 nan 8.240 nan 0.000 0.526 111 G N 3.087 111.849 108.800 -0.064 0.000 2.179 111 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 111 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 111 G C 0.440 175.396 174.900 0.094 0.000 0.977 111 G CA 0.468 45.676 45.100 0.180 0.000 0.641 111 G HN 1.120 nan 8.290 nan 0.000 0.533 112 T N -1.946 112.653 114.554 0.076 0.000 2.884 112 T HA 0.514 4.864 4.350 -0.000 0.000 0.277 112 T C 1.386 176.128 174.700 0.069 0.000 0.976 112 T CA 0.649 62.797 62.100 0.081 0.000 0.956 112 T CB 1.328 70.268 68.868 0.119 0.000 1.113 112 T HN 0.266 nan 8.240 nan 0.000 0.554 113 D N -0.412 120.029 120.400 0.069 0.000 2.309 113 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 113 D C 1.412 177.767 176.300 0.092 0.000 0.968 113 D CA 1.008 55.053 54.000 0.075 0.000 0.882 113 D CB -0.280 40.563 40.800 0.071 0.000 0.918 113 D HN 0.676 nan 8.370 nan 0.000 0.503 114 K N -0.798 119.653 120.400 0.085 0.000 2.296 114 K HA -0.016 4.304 4.320 -0.000 0.000 0.200 114 K C 0.098 176.784 176.600 0.143 0.000 1.048 114 K CA 0.873 57.193 56.287 0.056 0.000 0.966 114 K CB 0.345 32.792 32.500 -0.087 0.000 0.754 114 K HN 0.024 nan 8.250 nan 0.000 0.466 115 D N -0.762 119.726 120.400 0.148 0.000 3.250 115 D HA 0.067 4.707 4.640 -0.000 0.000 0.252 115 D C -2.278 174.047 176.300 0.043 0.000 1.342 115 D CA -1.285 52.807 54.000 0.154 0.000 0.807 115 D CB 0.890 41.804 40.800 0.190 0.000 1.449 115 D HN -0.161 nan 8.370 nan 0.000 0.610 116 P HA 0.005 nan 4.420 nan 0.000 0.226 116 P C 0.777 177.846 177.300 -0.385 0.000 1.153 116 P CA 0.504 63.506 63.100 -0.164 0.000 0.777 116 P CB 0.006 31.575 31.700 -0.218 0.000 0.794 117 F N -1.287 118.752 119.950 0.149 0.000 2.654 117 F HA 0.310 4.837 4.527 -0.000 0.000 0.303 117 F C 0.726 176.553 175.800 0.046 0.000 1.099 117 F CA -0.533 57.601 58.000 0.223 0.000 1.270 117 F CB -0.764 38.319 39.000 0.139 0.000 1.024 117 F HN -0.167 nan 8.300 nan 0.000 0.548 118 N N 0.670 119.280 118.700 -0.151 0.000 2.738 118 N HA -0.232 4.507 4.740 -0.000 0.000 0.249 118 N C 0.970 176.382 175.510 -0.162 0.000 1.047 118 N CA 1.042 53.864 53.050 -0.381 0.000 0.707 118 N CB -1.289 36.603 38.487 -0.993 0.000 0.937 118 N HN 0.264 nan 8.380 nan 0.000 0.545 119 T N -1.836 112.629 114.554 -0.149 0.000 3.065 119 T HA 0.106 4.456 4.350 -0.000 0.000 0.252 119 T C 1.052 175.641 174.700 -0.184 0.000 1.099 119 T CA 0.736 62.726 62.100 -0.183 0.000 1.063 119 T CB 0.005 68.738 68.868 -0.225 0.000 0.948 119 T HN 0.449 nan 8.240 nan 0.000 0.506 120 H N -0.295 118.845 119.070 0.116 0.000 2.639 120 H HA 0.478 5.034 4.556 -0.000 0.000 0.267 120 H C 2.366 177.822 175.328 0.213 0.000 0.958 120 H CA 0.676 56.871 56.048 0.244 0.000 1.221 120 H CB -0.135 29.763 29.762 0.226 0.000 1.446 120 H HN 0.402 nan 8.280 nan 0.000 0.512 121 A N 1.466 124.389 122.820 0.172 0.000 1.972 121 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 121 A C 2.395 180.031 177.584 0.087 0.000 1.169 121 A CA 0.912 53.020 52.037 0.118 0.000 0.635 121 A CB -0.768 18.235 19.000 0.005 0.000 0.810 121 A HN 0.373 nan 8.150 nan 0.000 0.446 122 I N -1.492 119.070 120.570 -0.013 0.000 2.248 122 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 122 I C 2.182 178.265 176.117 -0.057 0.000 1.107 122 I CA 1.638 62.881 61.300 -0.096 0.000 1.373 122 I CB -0.130 37.762 38.000 -0.179 0.000 1.055 122 I HN 0.628 nan 8.210 nan 0.000 0.418 123 W N 0.977 122.353 121.300 0.125 0.000 2.338 123 W HA -0.232 4.427 4.660 -0.000 0.000 0.304 123 W C 2.543 179.060 176.519 -0.003 0.000 1.212 123 W CA 1.391 58.788 57.345 0.086 0.000 1.264 123 W CB -0.405 29.127 29.460 0.120 0.000 1.142 123 W HN 0.199 nan 8.180 nan 0.000 0.512 124 E N 0.260 120.585 120.200 0.207 0.000 2.077 124 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 124 E C 2.129 178.632 176.600 -0.161 0.000 0.989 124 E CA 1.847 58.246 56.400 -0.002 0.000 0.800 124 E CB -0.237 29.504 29.700 0.068 0.000 0.746 124 E HN 0.058 nan 8.360 nan 0.000 0.452 125 S N 0.544 116.264 115.700 0.033 0.000 2.368 125 S HA -0.127 4.342 4.470 -0.000 0.000 0.225 125 S C 1.922 176.568 174.600 0.077 0.000 1.030 125 S CA 0.912 59.189 58.200 0.127 0.000 0.999 125 S CB -0.206 63.159 63.200 0.275 0.000 0.844 125 S HN 0.270 nan 8.310 nan 0.000 0.459 126 L N 1.311 122.549 121.223 0.025 0.000 2.083 126 L HA -0.159 4.180 4.340 -0.000 0.000 0.209 126 L C 2.818 179.711 176.870 0.038 0.000 1.083 126 L CA 1.246 56.097 54.840 0.019 0.000 0.752 126 L CB -0.515 41.519 42.059 -0.041 0.000 0.899 126 L HN 0.387 nan 8.230 nan 0.000 0.433 127 Q N -0.492 119.290 119.800 -0.030 0.000 2.112 127 Q HA -0.248 4.091 4.340 -0.000 0.000 0.206 127 Q C 2.118 178.105 176.000 -0.021 0.000 0.987 127 Q CA 1.646 57.408 55.803 -0.067 0.000 0.858 127 Q CB 0.044 28.672 28.738 -0.184 0.000 0.905 127 Q HN 0.586 nan 8.270 nan 0.000 0.420 128 H N -0.547 118.591 119.070 0.114 0.000 2.502 128 H HA 0.005 4.561 4.556 -0.000 0.000 0.283 128 H C 1.872 177.276 175.328 0.126 0.000 1.015 128 H CA 0.809 56.916 56.048 0.099 0.000 1.298 128 H CB 0.129 29.936 29.762 0.075 0.000 1.411 128 H HN 0.287 nan 8.280 nan 0.000 0.556 129 L N -0.594 120.778 121.223 0.249 0.000 2.253 129 L HA -0.049 4.290 4.340 -0.000 0.000 0.205 129 L C 2.044 179.088 176.870 0.289 0.000 1.078 129 L CA -0.016 55.003 54.840 0.298 0.000 0.805 129 L CB -0.114 42.132 42.059 0.311 0.000 0.963 129 L HN 0.079 nan 8.230 nan 0.000 0.459 130 L N 0.831 122.165 121.223 0.185 0.000 2.021 130 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 130 L C -0.290 176.647 176.870 0.111 0.000 1.074 130 L CA 2.404 57.319 54.840 0.125 0.000 0.760 130 L CB -1.937 40.176 42.059 0.089 0.000 0.889 130 L HN 0.157 nan 8.230 nan 0.000 0.433 131 P HA -0.107 nan 4.420 nan 0.000 0.222 131 P C 1.611 178.974 177.300 0.104 0.000 1.147 131 P CA 0.850 64.009 63.100 0.098 0.000 0.790 131 P CB 0.099 31.859 31.700 0.101 0.000 0.780 132 L N -1.375 119.946 121.223 0.163 0.000 2.418 132 L HA 0.088 4.428 4.340 -0.000 0.000 0.218 132 L C 0.788 177.709 176.870 0.084 0.000 1.125 132 L CA 1.065 56.022 54.840 0.196 0.000 0.835 132 L CB -0.792 41.495 42.059 0.380 0.000 0.953 132 L HN -0.073 nan 8.230 nan 0.000 0.454 133 E N -0.440 119.746 120.200 -0.023 0.000 2.409 133 E HA 0.131 4.480 4.350 -0.000 0.000 0.259 133 E C 0.654 177.170 176.600 -0.139 0.000 0.932 133 E CA -0.215 56.045 56.400 -0.234 0.000 0.809 133 E CB 0.786 30.019 29.700 -0.778 0.000 1.341 133 E HN 0.205 nan 8.360 nan 0.000 0.405 134 K N 1.555 121.900 120.400 -0.092 0.000 2.280 134 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 134 K C 1.052 177.611 176.600 -0.067 0.000 1.047 134 K CA 1.639 57.892 56.287 -0.056 0.000 0.942 134 K CB -0.006 32.471 32.500 -0.038 0.000 0.739 134 K HN 0.311 nan 8.250 nan 0.000 0.457 135 S N 0.746 116.385 115.700 -0.100 0.000 2.593 135 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 135 S C 0.813 175.357 174.600 -0.094 0.000 0.966 135 S CA -0.593 57.551 58.200 -0.093 0.000 0.914 135 S CB -0.584 62.556 63.200 -0.099 0.000 0.776 135 S HN 0.223 nan 8.310 nan 0.000 0.523 136 I N 2.881 123.394 120.570 -0.095 0.000 2.683 136 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 136 I C 0.266 176.360 176.117 -0.038 0.000 1.175 136 I CA 0.436 61.700 61.300 -0.060 0.000 1.429 136 I CB 0.282 38.264 38.000 -0.029 0.000 1.371 136 I HN 0.313 nan 8.210 nan 0.000 0.569 137 D N 6.671 127.049 120.400 -0.036 0.000 2.619 137 D HA 0.322 4.962 4.640 -0.000 0.000 0.241 137 D C -0.076 176.247 176.300 0.038 0.000 1.087 137 D CA -0.495 53.495 54.000 -0.017 0.000 0.851 137 D CB 2.056 42.815 40.800 -0.070 0.000 1.474 137 D HN 0.421 nan 8.370 nan 0.000 0.478 138 L N 2.801 124.086 121.223 0.103 0.000 2.808 138 L HA 0.183 4.522 4.340 -0.000 0.000 0.246 138 L C 1.977 179.034 176.870 0.313 0.000 1.153 138 L CA -0.191 54.789 54.840 0.233 0.000 0.956 138 L CB 0.321 42.543 42.059 0.272 0.000 1.270 138 L HN 0.524 nan 8.230 nan 0.000 0.528 139 E N 0.813 121.139 120.200 0.210 0.000 2.038 139 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 139 E C 1.725 178.560 176.600 0.392 0.000 1.000 139 E CA 1.911 58.458 56.400 0.246 0.000 0.803 139 E CB 0.043 29.844 29.700 0.169 0.000 0.750 139 E HN 0.439 nan 8.360 nan 0.000 0.448 140 W N -0.004 121.354 121.300 0.097 0.000 2.418 140 W HA -0.080 4.580 4.660 -0.000 0.000 0.292 140 W C 2.123 178.759 176.519 0.196 0.000 1.213 140 W CA 0.311 57.690 57.345 0.056 0.000 1.283 140 W CB -1.285 28.246 29.460 0.119 0.000 1.119 140 W HN 0.186 nan 8.180 nan 0.000 0.542 141 F N 1.687 121.863 119.950 0.376 0.000 2.065 141 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 141 F C 2.391 178.344 175.800 0.255 0.000 1.112 141 F CA 2.280 60.447 58.000 0.278 0.000 1.212 141 F CB -0.484 38.614 39.000 0.164 0.000 0.975 141 F HN -0.234 nan 8.300 nan 0.000 0.476 142 R N -0.969 119.718 120.500 0.312 0.000 2.081 142 R HA -0.217 4.123 4.340 -0.000 0.000 0.235 142 R C 2.494 178.859 176.300 0.108 0.000 1.131 142 R CA 1.500 57.756 56.100 0.260 0.000 0.960 142 R CB -1.067 29.433 30.300 0.332 0.000 0.856 142 R HN 0.505 nan 8.270 nan 0.000 0.436 143 H N 0.248 119.296 119.070 -0.036 0.000 2.293 143 H HA -0.133 4.422 4.556 -0.000 0.000 0.300 143 H C 1.776 176.981 175.328 -0.204 0.000 1.082 143 H CA 1.858 57.790 56.048 -0.193 0.000 1.308 143 H CB -0.049 29.463 29.762 -0.416 0.000 1.375 143 H HN 0.077 nan 8.280 nan 0.000 0.495 144 F N 1.242 121.197 119.950 0.009 0.000 2.186 144 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 144 F C 2.837 178.504 175.800 -0.222 0.000 1.090 144 F CA 1.399 59.331 58.000 -0.112 0.000 1.307 144 F CB -0.444 38.519 39.000 -0.062 0.000 1.019 144 F HN 0.163 nan 8.300 nan 0.000 0.489 145 K N -0.628 119.664 120.400 -0.180 0.000 2.057 145 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 145 K C 2.371 178.923 176.600 -0.080 0.000 1.050 145 K CA 1.438 57.556 56.287 -0.282 0.000 0.935 145 K CB -0.483 31.608 32.500 -0.680 0.000 0.715 145 K HN 0.303 nan 8.250 nan 0.000 0.439 146 H N 0.170 119.176 119.070 -0.107 0.000 2.321 146 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 146 H C 0.933 176.196 175.328 -0.108 0.000 1.087 146 H CA 2.063 58.067 56.048 -0.073 0.000 1.319 146 H CB 0.209 29.916 29.762 -0.092 0.000 1.379 146 H HN 0.322 nan 8.280 nan 0.000 0.501 147 D N 0.091 120.418 120.400 -0.123 0.000 2.234 147 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 147 D C 1.879 178.111 176.300 -0.114 0.000 0.962 147 D CA 0.626 54.538 54.000 -0.146 0.000 0.855 147 D CB 0.293 40.999 40.800 -0.157 0.000 0.951 147 D HN 0.399 nan 8.370 nan 0.000 0.500 148 L N -0.361 120.814 121.223 -0.079 0.000 2.966 148 L HA 0.198 4.538 4.340 -0.000 0.000 0.262 148 L C 0.563 177.396 176.870 -0.063 0.000 1.165 148 L CA -0.029 54.777 54.840 -0.056 0.000 0.978 148 L CB 0.655 42.697 42.059 -0.029 0.000 1.337 148 L HN -0.075 nan 8.230 nan 0.000 0.563 149 T N -2.139 112.366 114.554 -0.081 0.000 2.930 149 T HA 0.590 4.940 4.350 -0.000 0.000 0.290 149 T C -0.208 174.444 174.700 -0.079 0.000 1.052 149 T CA -0.660 61.402 62.100 -0.064 0.000 1.017 149 T CB 1.895 70.728 68.868 -0.058 0.000 1.137 149 T HN -0.094 nan 8.240 nan 0.000 0.511 150 L N 3.082 124.264 121.223 -0.069 0.000 2.456 150 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 150 L C 0.921 177.762 176.870 -0.049 0.000 1.189 150 L CA -0.650 54.143 54.840 -0.079 0.000 0.846 150 L CB 0.017 42.013 42.059 -0.105 0.000 1.111 150 L HN 0.850 nan 8.230 nan 0.000 0.475 151 N N 0.349 119.031 118.700 -0.030 0.000 2.538 151 N HA 0.211 4.951 4.740 -0.000 0.000 0.292 151 N C 0.515 176.080 175.510 0.092 0.000 1.262 151 N CA -0.683 52.390 53.050 0.039 0.000 0.976 151 N CB 0.577 39.074 38.487 0.016 0.000 1.161 151 N HN 0.405 nan 8.380 nan 0.000 0.598 152 S N -0.771 115.037 115.700 0.181 0.000 2.359 152 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 152 S C 1.410 176.099 174.600 0.148 0.000 1.035 152 S CA 1.419 59.749 58.200 0.217 0.000 1.018 152 S CB -0.555 62.774 63.200 0.215 0.000 0.876 152 S HN 0.765 nan 8.310 nan 0.000 0.448 153 E N 0.955 121.213 120.200 0.097 0.000 2.051 153 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 153 E C 1.913 178.574 176.600 0.101 0.000 0.991 153 E CA 1.262 57.709 56.400 0.078 0.000 0.799 153 E CB -0.075 29.645 29.700 0.033 0.000 0.748 153 E HN 0.579 nan 8.360 nan 0.000 0.449 154 E N -0.024 120.212 120.200 0.061 0.000 2.110 154 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 154 E C 2.256 178.928 176.600 0.121 0.000 0.988 154 E CA 1.160 57.597 56.400 0.062 0.000 0.804 154 E CB 0.024 29.707 29.700 -0.030 0.000 0.745 154 E HN 0.115 nan 8.360 nan 0.000 0.458 155 S N 0.751 116.525 115.700 0.123 0.000 2.356 155 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 155 S C 2.154 176.969 174.600 0.359 0.000 1.032 155 S CA 1.086 59.435 58.200 0.249 0.000 1.005 155 S CB -0.254 63.131 63.200 0.308 0.000 0.867 155 S HN 0.407 nan 8.310 nan 0.000 0.449 156 A N 0.820 123.805 122.820 0.275 0.000 1.933 156 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 156 A C 1.904 179.655 177.584 0.278 0.000 1.175 156 A CA 1.454 53.654 52.037 0.270 0.000 0.628 156 A CB -0.842 18.255 19.000 0.162 0.000 0.814 156 A HN 0.517 nan 8.150 nan 0.000 0.444 157 F N 0.530 120.538 119.950 0.096 0.000 2.102 157 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 157 F C 1.883 177.759 175.800 0.128 0.000 1.105 157 F CA 1.836 59.877 58.000 0.069 0.000 1.239 157 F CB -0.253 38.755 39.000 0.012 0.000 0.991 157 F HN 0.133 nan 8.300 nan 0.000 0.474 158 L N -0.107 121.194 121.223 0.130 0.000 2.141 158 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 158 L C 2.743 179.742 176.870 0.215 0.000 1.094 158 L CA 0.970 55.831 54.840 0.035 0.000 0.763 158 L CB -1.054 40.927 42.059 -0.130 0.000 0.908 158 L HN 0.298 nan 8.230 nan 0.000 0.437 159 A N -1.189 121.857 122.820 0.378 0.000 1.969 159 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 159 A C 1.979 179.605 177.584 0.070 0.000 1.169 159 A CA 1.203 53.395 52.037 0.258 0.000 0.635 159 A CB -0.642 18.507 19.000 0.250 0.000 0.810 159 A HN 0.455 nan 8.150 nan 0.000 0.445 160 H N -1.317 117.734 119.070 -0.032 0.000 2.548 160 H HA 0.098 4.654 4.556 -0.000 0.000 0.265 160 H C -0.110 175.118 175.328 -0.166 0.000 0.969 160 H CA 0.615 56.613 56.048 -0.083 0.000 1.155 160 H CB 0.140 29.859 29.762 -0.072 0.000 1.394 160 H HN 0.536 nan 8.280 nan 0.000 0.570 161 N N 1.297 119.909 118.700 -0.147 0.000 2.644 161 N HA -0.032 4.708 4.740 -0.000 0.000 0.313 161 N C 0.605 176.054 175.510 -0.102 0.000 1.863 161 N CA -0.159 52.764 53.050 -0.212 0.000 0.918 161 N CB 0.603 38.782 38.487 -0.514 0.000 1.320 161 N HN 0.303 nan 8.380 nan 0.000 0.490 162 D N 0.681 121.059 120.400 -0.037 0.000 2.309 162 D HA -0.213 4.426 4.640 -0.000 0.000 0.212 162 D C 1.439 177.742 176.300 0.006 0.000 0.968 162 D CA 0.627 54.636 54.000 0.016 0.000 0.882 162 D CB 0.211 41.016 40.800 0.008 0.000 0.918 162 D HN 0.284 nan 8.370 nan 0.000 0.503 163 R N 1.192 121.682 120.500 -0.017 0.000 2.170 163 R HA -0.084 4.255 4.340 -0.000 0.000 0.242 163 R C 2.431 178.727 176.300 -0.007 0.000 1.145 163 R CA 0.409 56.501 56.100 -0.013 0.000 0.984 163 R CB -1.382 28.907 30.300 -0.018 0.000 0.869 163 R HN 0.333 nan 8.270 nan 0.000 0.455 164 L N 0.614 121.833 121.223 -0.007 0.000 2.395 164 L HA -0.027 4.313 4.340 -0.000 0.000 0.218 164 L C 2.085 178.963 176.870 0.014 0.000 1.130 164 L CA 0.382 55.225 54.840 0.004 0.000 0.826 164 L CB -0.004 42.061 42.059 0.010 0.000 0.941 164 L HN -0.071 nan 8.230 nan 0.000 0.451 165 V N -1.302 118.633 119.914 0.035 0.000 2.627 165 V HA 0.301 4.421 4.120 -0.000 0.000 0.239 165 V C 1.668 177.783 176.094 0.035 0.000 1.077 165 V CA 0.788 63.126 62.300 0.064 0.000 1.103 165 V CB -0.390 31.541 31.823 0.180 0.000 0.802 165 V HN 0.517 nan 8.190 nan 0.000 0.482 166 G N 0.923 109.739 108.800 0.026 0.000 2.602 166 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.306 166 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.306 166 G C 1.194 176.095 174.900 0.002 0.000 1.301 166 G CA 0.463 45.567 45.100 0.006 0.000 0.974 166 G HN 1.159 nan 8.290 nan 0.000 0.547 167 G N -0.578 108.217 108.800 -0.009 0.000 2.928 167 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.223 167 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.223 167 G C 1.002 175.894 174.900 -0.013 0.000 1.074 167 G CA 2.076 47.171 45.100 -0.009 0.000 0.703 167 G HN 1.323 nan 8.290 nan 0.000 0.629 168 T N 2.009 116.555 114.554 -0.012 0.000 2.901 168 T HA 0.314 4.664 4.350 -0.000 0.000 0.301 168 T C 0.709 175.383 174.700 -0.044 0.000 1.012 168 T CA -0.412 61.677 62.100 -0.019 0.000 1.135 168 T CB 1.351 70.219 68.868 0.000 0.000 0.936 168 T HN -0.056 nan 8.240 nan 0.000 0.539 169 I N 3.770 124.295 120.570 -0.075 0.000 2.618 169 I HA 0.088 4.257 4.170 -0.000 0.000 0.284 169 I C 1.542 177.601 176.117 -0.097 0.000 1.146 169 I CA 0.404 61.610 61.300 -0.156 0.000 1.425 169 I CB 0.564 38.457 38.000 -0.178 0.000 1.383 169 I HN 0.693 nan 8.210 nan 0.000 0.562 170 R N 2.460 122.897 120.500 -0.106 0.000 2.334 170 R HA 0.076 4.416 4.340 -0.000 0.000 0.216 170 R C 0.269 176.745 176.300 0.295 0.000 0.905 170 R CA -0.013 56.190 56.100 0.173 0.000 1.064 170 R CB 0.022 30.483 30.300 0.269 0.000 1.046 170 R HN 0.600 nan 8.270 nan 0.000 0.508 171 T N 2.309 116.964 114.554 0.169 0.000 2.849 171 T HA -0.071 4.279 4.350 -0.000 0.000 0.289 171 T C 1.076 175.848 174.700 0.119 0.000 1.010 171 T CA 0.409 62.607 62.100 0.164 0.000 1.161 171 T CB 0.761 69.554 68.868 -0.126 0.000 0.989 171 T HN 0.131 nan 8.240 nan 0.000 0.523 172 Q N 2.226 122.131 119.800 0.176 0.000 2.259 172 Q HA 0.119 4.459 4.340 -0.000 0.000 0.201 172 Q C 0.725 176.862 176.000 0.228 0.000 0.938 172 Q CA 0.986 56.891 55.803 0.168 0.000 0.872 172 Q CB 0.236 29.026 28.738 0.086 0.000 0.971 172 Q HN 0.914 nan 8.270 nan 0.000 0.494 173 N N -0.159 118.652 118.700 0.186 0.000 2.636 173 N HA 0.302 5.042 4.740 -0.000 0.000 0.261 173 N C -1.285 174.297 175.510 0.121 0.000 1.195 173 N CA -0.546 52.615 53.050 0.184 0.000 0.902 173 N CB 2.037 40.574 38.487 0.083 0.000 1.627 173 N HN -0.119 nan 8.380 nan 0.000 0.491 174 K N 0.799 121.290 120.400 0.152 0.000 2.395 174 K HA 0.668 4.988 4.320 -0.000 0.000 0.245 174 K C -1.401 175.183 176.600 -0.027 0.000 1.017 174 K CA -0.953 55.337 56.287 0.006 0.000 0.852 174 K CB 2.114 34.635 32.500 0.034 0.000 1.311 174 K HN 0.415 nan 8.250 nan 0.000 0.452 175 L N 0.443 121.492 121.223 -0.290 0.000 2.341 175 L HA 0.750 5.089 4.340 -0.000 0.000 0.267 175 L C -0.870 175.946 176.870 -0.089 0.000 1.009 175 L CA -1.080 53.616 54.840 -0.240 0.000 0.819 175 L CB 2.191 43.959 42.059 -0.484 0.000 1.323 175 L HN 0.964 nan 8.230 nan 0.000 0.425 176 A N 2.580 125.432 122.820 0.054 0.000 2.414 176 A HA 0.869 5.189 4.320 -0.000 0.000 0.306 176 A C -1.513 176.063 177.584 -0.014 0.000 1.054 176 A CA -0.431 51.653 52.037 0.078 0.000 0.724 176 A CB 1.569 20.727 19.000 0.263 0.000 1.267 176 A HN 0.462 nan 8.150 nan 0.000 0.418 177 L N 1.565 122.662 121.223 -0.211 0.000 2.333 177 L HA 0.471 4.811 4.340 -0.000 0.000 0.280 177 L C -0.791 175.985 176.870 -0.157 0.000 1.004 177 L CA -0.059 54.656 54.840 -0.208 0.000 0.820 177 L CB 1.887 43.621 42.059 -0.542 0.000 1.247 177 L HN 0.681 nan 8.230 nan 0.000 0.416 178 D N 2.656 123.060 120.400 0.007 0.000 2.232 178 D HA 0.486 5.126 4.640 -0.000 0.000 0.242 178 D C -0.797 175.531 176.300 0.048 0.000 1.093 178 D CA -0.054 53.958 54.000 0.020 0.000 0.845 178 D CB 1.034 41.865 40.800 0.053 0.000 1.124 178 D HN 0.305 nan 8.370 nan 0.000 0.467 179 L N 4.801 126.008 121.223 -0.026 0.000 2.264 179 L HA 0.422 4.762 4.340 -0.000 0.000 0.287 179 L C -0.056 176.895 176.870 0.137 0.000 1.039 179 L CA -0.564 54.178 54.840 -0.163 0.000 0.829 179 L CB 0.027 41.650 42.059 -0.727 0.000 1.211 179 L HN 0.258 nan 8.230 nan 0.000 0.427 180 K N 1.001 121.543 120.400 0.237 0.000 2.525 180 K HA 0.391 4.711 4.320 -0.000 0.000 0.254 180 K C -0.884 175.861 176.600 0.240 0.000 0.934 180 K CA -1.054 55.356 56.287 0.206 0.000 0.802 180 K CB 2.030 34.594 32.500 0.107 0.000 1.295 180 K HN 0.485 nan 8.250 nan 0.000 0.433 181 D N 1.130 121.633 120.400 0.172 0.000 2.740 181 D HA -0.222 4.418 4.640 -0.000 0.000 0.231 181 D C 0.768 177.172 176.300 0.173 0.000 1.194 181 D CA 1.347 55.425 54.000 0.130 0.000 0.673 181 D CB -1.801 39.038 40.800 0.065 0.000 0.995 181 D HN 1.171 nan 8.370 nan 0.000 0.411 182 G N -1.012 107.946 108.800 0.264 0.000 2.166 182 G HA2 -0.398 3.561 3.960 -0.000 0.000 0.260 182 G HA3 -0.398 3.561 3.960 -0.000 0.000 0.260 182 G C 0.431 175.459 174.900 0.213 0.000 0.986 182 G CA 0.706 45.902 45.100 0.160 0.000 0.683 182 G HN 0.846 nan 8.290 nan 0.000 0.527 183 R N -1.298 119.414 120.500 0.352 0.000 2.987 183 R HA 0.818 5.157 4.340 -0.000 0.000 0.248 183 R C -0.479 176.119 176.300 0.498 0.000 1.264 183 R CA -0.573 55.707 56.100 0.299 0.000 1.026 183 R CB 0.985 31.336 30.300 0.085 0.000 1.286 183 R HN 0.525 nan 8.270 nan 0.000 0.483 184 F N -1.517 118.570 119.950 0.229 0.000 2.588 184 F HA 0.860 5.387 4.527 -0.000 0.000 0.310 184 F C -1.219 174.629 175.800 0.081 0.000 1.082 184 F CA -1.352 56.740 58.000 0.153 0.000 0.929 184 F CB 1.705 40.802 39.000 0.161 0.000 1.254 184 F HN 0.521 nan 8.300 nan 0.000 0.455 185 A N 3.240 126.183 122.820 0.206 0.000 2.317 185 A HA 0.749 5.069 4.320 -0.000 0.000 0.327 185 A C -1.652 176.048 177.584 0.194 0.000 1.178 185 A CA -0.709 51.387 52.037 0.098 0.000 0.817 185 A CB 1.254 20.285 19.000 0.052 0.000 1.189 185 A HN 0.875 nan 8.150 nan 0.000 0.489 186 L N 1.758 123.072 121.223 0.151 0.000 2.317 186 L HA 0.690 5.030 4.340 -0.000 0.000 0.281 186 L C -0.074 176.831 176.870 0.058 0.000 1.024 186 L CA -0.084 54.851 54.840 0.159 0.000 0.810 186 L CB 1.417 43.587 42.059 0.185 0.000 1.240 186 L HN 0.766 nan 8.230 nan 0.000 0.427 187 K N 1.804 122.226 120.400 0.037 0.000 2.435 187 K HA 0.629 4.948 4.320 -0.000 0.000 0.251 187 K C -1.338 175.248 176.600 -0.024 0.000 0.954 187 K CA -0.565 55.712 56.287 -0.017 0.000 0.820 187 K CB 2.034 34.510 32.500 -0.041 0.000 1.292 187 K HN 0.644 nan 8.250 nan 0.000 0.436 188 T N 1.320 115.842 114.554 -0.053 0.000 2.908 188 T HA 0.550 4.900 4.350 -0.000 0.000 0.290 188 T C -1.735 172.840 174.700 -0.207 0.000 1.034 188 T CA -0.412 61.694 62.100 0.011 0.000 1.010 188 T CB 0.494 69.503 68.868 0.235 0.000 1.068 188 T HN 0.412 nan 8.240 nan 0.000 0.481 189 Y N 2.414 122.681 120.300 -0.055 0.000 2.350 189 Y HA 0.666 5.216 4.550 -0.000 0.000 0.338 189 Y C -0.031 175.715 175.900 -0.257 0.000 0.961 189 Y CA -0.871 57.091 58.100 -0.229 0.000 1.100 189 Y CB 1.567 39.886 38.460 -0.235 0.000 1.179 189 Y HN 0.445 nan 8.280 nan 0.000 0.454 190 I N 3.627 124.015 120.570 -0.303 0.000 2.465 190 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 190 I C -1.379 174.458 176.117 -0.467 0.000 1.014 190 I CA -0.903 60.251 61.300 -0.243 0.000 1.093 190 I CB 1.650 39.548 38.000 -0.170 0.000 1.267 190 I HN 0.528 nan 8.210 nan 0.000 0.431 191 Y N 6.826 127.096 120.300 -0.050 0.000 2.587 191 Y HA 0.326 4.876 4.550 -0.000 0.000 0.328 191 Y C -1.807 174.070 175.900 -0.037 0.000 0.980 191 Y CA -1.982 56.091 58.100 -0.046 0.000 1.272 191 Y CB 0.741 39.184 38.460 -0.028 0.000 1.094 191 Y HN 0.410 nan 8.280 nan 0.000 0.503 192 P HA 0.040 nan 4.420 nan 0.000 0.253 192 P C 1.211 178.526 177.300 0.026 0.000 1.260 192 P CA 0.506 63.613 63.100 0.011 0.000 0.800 192 P CB 0.361 32.050 31.700 -0.018 0.000 1.162 193 A N 0.620 123.477 122.820 0.061 0.000 1.892 193 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 193 A C 2.072 179.657 177.584 0.001 0.000 1.188 193 A CA 1.553 53.613 52.037 0.039 0.000 0.631 193 A CB -1.507 17.526 19.000 0.056 0.000 0.822 193 A HN 0.192 nan 8.150 nan 0.000 0.447 194 L N -1.451 119.764 121.223 -0.014 0.000 2.179 194 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 194 L C 2.510 179.325 176.870 -0.091 0.000 1.096 194 L CA 1.392 56.185 54.840 -0.078 0.000 0.779 194 L CB -0.356 41.610 42.059 -0.155 0.000 0.922 194 L HN 0.314 nan 8.230 nan 0.000 0.443 195 K N 1.118 121.478 120.400 -0.067 0.000 2.063 195 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 195 K C 2.068 178.638 176.600 -0.051 0.000 1.048 195 K CA 1.674 57.920 56.287 -0.068 0.000 0.928 195 K CB -0.357 32.108 32.500 -0.059 0.000 0.713 195 K HN 0.224 nan 8.250 nan 0.000 0.442 196 A N -0.046 122.757 122.820 -0.028 0.000 1.908 196 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 196 A C 2.307 179.880 177.584 -0.018 0.000 1.181 196 A CA 1.884 53.913 52.037 -0.015 0.000 0.627 196 A CB -0.798 18.204 19.000 0.003 0.000 0.818 196 A HN 0.126 nan 8.150 nan 0.000 0.445 197 V N 0.310 120.212 119.914 -0.020 0.000 2.255 197 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 197 V C 2.738 178.837 176.094 0.008 0.000 1.051 197 V CA 2.226 64.523 62.300 -0.005 0.000 1.018 197 V CB -1.097 30.721 31.823 -0.008 0.000 0.641 197 V HN 0.607 nan 8.190 nan 0.000 0.445 198 V N -0.665 119.241 119.914 -0.012 0.000 2.548 198 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 198 V C 2.332 178.365 176.094 -0.101 0.000 1.055 198 V CA 2.087 64.365 62.300 -0.036 0.000 1.065 198 V CB -1.394 30.397 31.823 -0.054 0.000 0.681 198 V HN 0.685 nan 8.190 nan 0.000 0.462 199 T N -3.024 111.484 114.554 -0.077 0.000 3.081 199 T HA 0.354 4.704 4.350 -0.000 0.000 0.255 199 T C 1.811 176.477 174.700 -0.057 0.000 1.113 199 T CA 0.957 63.009 62.100 -0.079 0.000 1.082 199 T CB 0.155 68.984 68.868 -0.065 0.000 0.939 199 T HN 1.525 nan 8.240 nan 0.000 0.506 200 G N 1.561 110.338 108.800 -0.039 0.000 2.189 200 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.267 200 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.267 200 G C 0.142 175.033 174.900 -0.015 0.000 0.975 200 G CA 0.245 45.331 45.100 -0.024 0.000 0.644 200 G HN 0.588 nan 8.290 nan 0.000 0.537 201 K N 1.322 121.715 120.400 -0.012 0.000 2.126 201 K HA 0.498 4.818 4.320 -0.000 0.000 0.257 201 K C 1.194 177.805 176.600 0.017 0.000 1.007 201 K CA 0.383 56.673 56.287 0.005 0.000 0.928 201 K CB 0.787 33.292 32.500 0.009 0.000 1.013 201 K HN 0.477 nan 8.250 nan 0.000 0.473 202 T N -2.023 112.553 114.554 0.036 0.000 2.816 202 T HA 0.260 4.610 4.350 -0.000 0.000 0.282 202 T C 1.868 176.618 174.700 0.083 0.000 0.993 202 T CA -0.603 61.529 62.100 0.054 0.000 0.994 202 T CB 0.428 69.333 68.868 0.060 0.000 1.025 202 T HN 0.444 nan 8.240 nan 0.000 0.529 203 I N 0.128 120.752 120.570 0.091 0.000 2.226 203 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 203 I C 2.607 178.818 176.117 0.157 0.000 1.100 203 I CA 1.898 63.255 61.300 0.096 0.000 1.374 203 I CB -0.681 37.371 38.000 0.087 0.000 1.057 203 I HN 0.874 nan 8.210 nan 0.000 0.413 204 H N 1.266 120.407 119.070 0.119 0.000 2.289 204 H HA -0.235 4.321 4.556 -0.000 0.000 0.296 204 H C 2.205 177.670 175.328 0.228 0.000 1.091 204 H CA 2.331 58.504 56.048 0.208 0.000 1.274 204 H CB 0.076 29.874 29.762 0.060 0.000 1.364 204 H HN 0.295 nan 8.280 nan 0.000 0.490 205 E N 0.057 120.447 120.200 0.318 0.000 2.085 205 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 205 E C 2.455 179.148 176.600 0.154 0.000 0.994 205 E CA 1.299 57.833 56.400 0.223 0.000 0.801 205 E CB -0.075 29.697 29.700 0.120 0.000 0.743 205 E HN 0.494 nan 8.360 nan 0.000 0.453 206 L N 0.310 121.597 121.223 0.106 0.000 1.994 206 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 206 L C 2.489 179.387 176.870 0.047 0.000 1.071 206 L CA 0.921 55.794 54.840 0.055 0.000 0.745 206 L CB -0.402 41.671 42.059 0.025 0.000 0.892 206 L HN 0.070 nan 8.230 nan 0.000 0.431 207 V N -0.826 119.104 119.914 0.026 0.000 2.270 207 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 207 V C 2.193 178.192 176.094 -0.159 0.000 1.043 207 V CA 1.835 64.077 62.300 -0.098 0.000 1.014 207 V CB -0.561 31.141 31.823 -0.201 0.000 0.645 207 V HN 0.206 nan 8.190 nan 0.000 0.447 208 F N 1.207 121.086 119.950 -0.118 0.000 2.186 208 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 208 F C 2.414 178.206 175.800 -0.012 0.000 1.090 208 F CA 1.466 59.405 58.000 -0.102 0.000 1.307 208 F CB -1.055 37.827 39.000 -0.198 0.000 1.019 208 F HN 0.208 nan 8.300 nan 0.000 0.489 209 G N -1.342 107.556 108.800 0.163 0.000 2.418 209 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 209 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 209 G C 1.860 176.811 174.900 0.084 0.000 1.158 209 G CA 1.114 46.279 45.100 0.108 0.000 0.771 209 G HN 0.371 nan 8.290 nan 0.000 0.545 210 S N -0.484 115.271 115.700 0.092 0.000 2.368 210 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 210 S C 2.521 177.250 174.600 0.215 0.000 1.029 210 S CA 1.411 59.698 58.200 0.145 0.000 0.988 210 S CB -0.245 63.066 63.200 0.185 0.000 0.838 210 S HN 0.118 nan 8.310 nan 0.000 0.462 211 V N 2.089 122.094 119.914 0.153 0.000 2.427 211 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 211 V C 2.606 178.674 176.094 -0.042 0.000 1.051 211 V CA 1.734 64.061 62.300 0.046 0.000 1.048 211 V CB -0.705 31.084 31.823 -0.056 0.000 0.666 211 V HN 0.413 nan 8.190 nan 0.000 0.456 212 R N -0.304 120.202 120.500 0.010 0.000 2.105 212 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 212 R C 2.524 178.812 176.300 -0.021 0.000 1.135 212 R CA 1.588 57.692 56.100 0.007 0.000 0.967 212 R CB -0.307 30.024 30.300 0.051 0.000 0.861 212 R HN 0.384 nan 8.270 nan 0.000 0.442 213 R N 0.379 120.881 120.500 0.004 0.000 2.092 213 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 213 R C 2.120 178.350 176.300 -0.116 0.000 1.119 213 R CA 0.885 56.990 56.100 0.009 0.000 0.970 213 R CB -0.207 30.164 30.300 0.118 0.000 0.864 213 R HN 0.083 nan 8.270 nan 0.000 0.440 214 L N 0.134 121.168 121.223 -0.315 0.000 2.141 214 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 214 L C 1.975 178.624 176.870 -0.368 0.000 1.094 214 L CA 1.892 56.345 54.840 -0.645 0.000 0.763 214 L CB -0.514 40.900 42.059 -1.075 0.000 0.908 214 L HN 0.186 nan 8.230 nan 0.000 0.437 215 A N -1.385 121.296 122.820 -0.232 0.000 2.125 215 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 215 A C 2.215 179.749 177.584 -0.082 0.000 1.156 215 A CA 1.436 53.393 52.037 -0.133 0.000 0.671 215 A CB -0.900 18.052 19.000 -0.081 0.000 0.794 215 A HN 0.301 nan 8.150 nan 0.000 0.459 216 V N 0.168 120.032 119.914 -0.083 0.000 2.332 216 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 216 V C 2.582 178.649 176.094 -0.044 0.000 1.055 216 V CA 2.413 64.683 62.300 -0.050 0.000 1.038 216 V CB -0.746 31.051 31.823 -0.043 0.000 0.651 216 V HN 0.614 nan 8.190 nan 0.000 0.450 217 R N -0.142 120.318 120.500 -0.066 0.000 2.173 217 R HA 0.081 4.420 4.340 -0.000 0.000 0.208 217 R C 0.825 177.127 176.300 0.003 0.000 1.035 217 R CA 0.416 56.498 56.100 -0.030 0.000 1.004 217 R CB 0.185 30.464 30.300 -0.035 0.000 0.917 217 R HN 0.321 nan 8.270 nan 0.000 0.462 218 E N 0.890 121.078 120.200 -0.020 0.000 2.795 218 E HA 0.199 4.549 4.350 -0.000 0.000 0.226 218 E C -2.243 174.361 176.600 0.006 0.000 1.088 218 E CA -2.731 53.691 56.400 0.037 0.000 0.812 218 E CB 1.184 30.968 29.700 0.139 0.000 1.328 218 E HN -0.140 nan 8.360 nan 0.000 0.410 219 P HA -0.058 nan 4.420 nan 0.000 0.225 219 P C 0.677 177.988 177.300 0.019 0.000 1.148 219 P CA 0.697 63.800 63.100 0.006 0.000 0.779 219 P CB 0.272 31.978 31.700 0.010 0.000 0.780 220 R N 0.085 120.608 120.500 0.038 0.000 2.189 220 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 220 R C 2.219 178.549 176.300 0.050 0.000 1.092 220 R CA 0.929 57.058 56.100 0.049 0.000 0.989 220 R CB -0.862 29.478 30.300 0.066 0.000 0.876 220 R HN 0.348 nan 8.270 nan 0.000 0.457 221 I N -2.300 118.292 120.570 0.037 0.000 3.111 221 I HA -0.081 4.089 4.170 -0.000 0.000 0.272 221 I C 1.715 177.835 176.117 0.006 0.000 1.268 221 I CA 0.872 62.183 61.300 0.018 0.000 1.467 221 I CB -0.189 37.795 38.000 -0.026 0.000 1.087 221 I HN 0.073 nan 8.210 nan 0.000 0.467 222 L N 1.349 122.577 121.223 0.008 0.000 2.017 222 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 222 L C 0.041 176.928 176.870 0.028 0.000 1.073 222 L CA 1.930 56.779 54.840 0.015 0.000 0.745 222 L CB -1.589 40.477 42.059 0.012 0.000 0.894 222 L HN 0.245 nan 8.230 nan 0.000 0.432 223 P HA -0.135 nan 4.420 nan 0.000 0.214 223 P C -1.480 175.841 177.300 0.034 0.000 1.163 223 P CA 1.672 64.790 63.100 0.030 0.000 0.883 223 P CB -1.228 30.489 31.700 0.028 0.000 0.788 224 P HA -0.114 nan 4.420 nan 0.000 0.219 224 P C 1.754 179.080 177.300 0.043 0.000 1.150 224 P CA 0.994 64.117 63.100 0.038 0.000 0.814 224 P CB -0.322 31.406 31.700 0.046 0.000 0.787 225 L N 0.384 121.635 121.223 0.046 0.000 2.017 225 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 225 L C 2.074 179.034 176.870 0.149 0.000 1.073 225 L CA 1.927 56.820 54.840 0.089 0.000 0.745 225 L CB -1.295 40.800 42.059 0.058 0.000 0.894 225 L HN -0.171 nan 8.230 nan 0.000 0.432 226 N N -0.564 118.191 118.700 0.091 0.000 2.104 226 N HA -0.249 4.491 4.740 -0.000 0.000 0.190 226 N C 1.870 177.412 175.510 0.052 0.000 1.024 226 N CA 1.985 55.077 53.050 0.070 0.000 0.853 226 N CB -0.383 38.130 38.487 0.043 0.000 1.008 226 N HN 0.476 nan 8.380 nan 0.000 0.424 227 M N 0.020 119.646 119.600 0.043 0.000 2.132 227 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 227 M C 1.923 178.241 176.300 0.029 0.000 1.065 227 M CA 1.151 56.466 55.300 0.026 0.000 1.122 227 M CB -0.027 32.578 32.600 0.010 0.000 1.365 227 M HN 0.096 nan 8.290 nan 0.000 0.411 228 L N 0.794 122.037 121.223 0.033 0.000 2.012 228 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 228 L C 2.128 179.038 176.870 0.067 0.000 1.073 228 L CA 2.210 57.060 54.840 0.017 0.000 0.748 228 L CB -0.850 41.230 42.059 0.035 0.000 0.891 228 L HN 0.435 nan 8.230 nan 0.000 0.431 229 E N -0.717 119.522 120.200 0.065 0.000 2.110 229 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 229 E C 2.019 178.558 176.600 -0.102 0.000 0.988 229 E CA 1.332 57.638 56.400 -0.157 0.000 0.804 229 E CB -0.047 29.516 29.700 -0.227 0.000 0.745 229 E HN 0.641 nan 8.360 nan 0.000 0.458 230 E N -0.496 119.687 120.200 -0.028 0.000 2.085 230 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 230 E C 1.858 178.458 176.600 0.000 0.000 0.994 230 E CA 1.309 57.698 56.400 -0.018 0.000 0.801 230 E CB -0.263 29.443 29.700 0.011 0.000 0.743 230 E HN 0.364 nan 8.360 nan 0.000 0.453 231 Y N 1.315 121.558 120.300 -0.094 0.000 2.145 231 Y HA -0.206 4.343 4.550 -0.000 0.000 0.286 231 Y C 1.886 177.730 175.900 -0.095 0.000 1.145 231 Y CA 1.395 59.436 58.100 -0.098 0.000 1.148 231 Y CB -0.298 38.077 38.460 -0.142 0.000 0.981 231 Y HN -0.050 nan 8.280 nan 0.000 0.507 232 I N 0.143 120.510 120.570 -0.338 0.000 2.226 232 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 232 I C 2.824 178.757 176.117 -0.307 0.000 1.100 232 I CA 1.608 62.676 61.300 -0.388 0.000 1.374 232 I CB -0.485 37.418 38.000 -0.162 0.000 1.057 232 I HN 0.158 nan 8.210 nan 0.000 0.413 233 R N 0.941 121.301 120.500 -0.233 0.000 2.096 233 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 233 R C 2.506 178.704 176.300 -0.171 0.000 1.127 233 R CA 1.895 57.871 56.100 -0.205 0.000 0.968 233 R CB -0.244 29.955 30.300 -0.169 0.000 0.861 233 R HN 0.467 nan 8.270 nan 0.000 0.440 234 S N 0.083 115.689 115.700 -0.157 0.000 2.440 234 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 234 S C 1.728 176.244 174.600 -0.140 0.000 1.010 234 S CA 0.824 58.955 58.200 -0.115 0.000 0.972 234 S CB -0.242 62.926 63.200 -0.053 0.000 0.774 234 S HN 0.397 nan 8.310 nan 0.000 0.501 235 R N 1.101 121.467 120.500 -0.223 0.000 2.240 235 R HA 0.305 4.645 4.340 -0.000 0.000 0.203 235 R C 1.455 177.676 176.300 -0.132 0.000 1.011 235 R CA 0.393 56.377 56.100 -0.194 0.000 1.007 235 R CB -0.518 29.613 30.300 -0.283 0.000 0.911 235 R HN 0.588 nan 8.270 nan 0.000 0.468 236 G N 0.187 108.907 108.800 -0.134 0.000 2.760 236 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 236 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 236 G C 0.460 175.300 174.900 -0.101 0.000 1.359 236 G CA -0.100 44.937 45.100 -0.105 0.000 0.861 236 G HN 0.255 nan 8.290 nan 0.000 0.541 237 S N -1.078 114.573 115.700 -0.082 0.000 2.527 237 S HA 0.129 4.599 4.470 -0.000 0.000 0.222 237 S C 1.392 175.961 174.600 -0.051 0.000 0.985 237 S CA 1.386 59.542 58.200 -0.073 0.000 0.921 237 S CB 0.162 63.322 63.200 -0.065 0.000 0.772 237 S HN 0.704 nan 8.310 nan 0.000 0.529 238 K N 1.790 122.163 120.400 -0.044 0.000 2.399 238 K HA 0.283 4.603 4.320 -0.000 0.000 0.204 238 K C 0.324 176.910 176.600 -0.023 0.000 1.023 238 K CA -0.151 56.119 56.287 -0.027 0.000 1.127 238 K CB 0.561 33.047 32.500 -0.022 0.000 0.856 238 K HN 0.274 nan 8.250 nan 0.000 0.514 239 S N 1.463 117.141 115.700 -0.038 0.000 2.558 239 S HA -0.063 4.407 4.470 -0.000 0.000 0.291 239 S C 1.419 176.016 174.600 -0.004 0.000 1.306 239 S CA 0.162 58.341 58.200 -0.035 0.000 1.056 239 S CB 0.628 63.786 63.200 -0.069 0.000 0.836 239 S HN 0.476 nan 8.310 nan 0.000 0.504 240 T N 2.067 116.626 114.554 0.007 0.000 3.113 240 T HA 0.398 4.747 4.350 -0.000 0.000 0.256 240 T C 0.417 175.143 174.700 0.044 0.000 1.131 240 T CA 0.266 62.383 62.100 0.030 0.000 1.074 240 T CB -0.090 68.797 68.868 0.030 0.000 0.944 240 T HN 0.754 nan 8.240 nan 0.000 0.516 241 A N 0.528 123.371 122.820 0.039 0.000 2.318 241 A HA 0.760 5.079 4.320 -0.000 0.000 0.324 241 A C -0.167 177.458 177.584 0.067 0.000 1.170 241 A CA -0.692 51.385 52.037 0.067 0.000 0.810 241 A CB 1.595 20.648 19.000 0.088 0.000 1.198 241 A HN 0.256 nan 8.150 nan 0.000 0.484 242 S N 1.930 117.692 115.700 0.104 0.000 2.540 242 S HA 0.748 5.217 4.470 -0.000 0.000 0.275 242 S C -3.079 171.615 174.600 0.157 0.000 1.123 242 S CA -1.304 56.969 58.200 0.121 0.000 0.907 242 S CB 1.694 64.964 63.200 0.117 0.000 1.081 242 S HN 0.450 nan 8.310 nan 0.000 0.476 243 P HA 0.388 nan 4.420 nan 0.000 0.271 243 P C -0.017 177.366 177.300 0.139 0.000 1.216 243 P CA -0.230 62.981 63.100 0.186 0.000 0.771 243 P CB 0.548 32.383 31.700 0.225 0.000 0.864 244 R N 1.699 122.267 120.500 0.114 0.000 2.470 244 R HA 0.369 4.709 4.340 -0.000 0.000 0.210 244 R C 0.541 176.840 176.300 -0.001 0.000 0.873 244 R CA 0.421 56.572 56.100 0.083 0.000 1.015 244 R CB -0.305 30.053 30.300 0.097 0.000 1.348 244 R HN 0.534 nan 8.270 nan 0.000 0.650 245 L N -3.339 117.846 121.223 -0.064 0.000 2.892 245 L HA 0.745 5.085 4.340 -0.000 0.000 0.269 245 L C -1.121 175.647 176.870 -0.170 0.000 1.058 245 L CA -1.185 53.489 54.840 -0.276 0.000 0.923 245 L CB 1.941 43.582 42.059 -0.697 0.000 1.518 245 L HN -0.302 nan 8.230 nan 0.000 0.402 246 V N 0.117 119.851 119.914 -0.300 0.000 2.962 246 V HA 0.909 5.029 4.120 -0.000 0.000 0.313 246 V C -0.295 175.629 176.094 -0.283 0.000 1.099 246 V CA 0.132 62.294 62.300 -0.229 0.000 0.971 246 V CB 1.872 33.412 31.823 -0.471 0.000 1.028 246 V HN 1.084 nan 8.190 nan 0.000 0.430 247 S N 0.889 116.496 115.700 -0.156 0.000 2.595 247 S HA 0.924 5.394 4.470 -0.000 0.000 0.281 247 S C -0.636 173.826 174.600 -0.231 0.000 1.117 247 S CA -0.512 57.496 58.200 -0.318 0.000 0.873 247 S CB 1.849 64.721 63.200 -0.546 0.000 1.108 247 S HN 1.876 nan 8.310 nan 0.000 0.477 248 C N -0.169 119.034 119.300 -0.161 0.000 3.239 248 C HA 0.718 5.178 4.460 -0.000 0.000 0.317 248 C C -1.118 173.892 174.990 0.033 0.000 1.310 248 C CA -0.888 58.140 59.018 0.017 0.000 1.371 248 C CB 0.619 28.505 27.740 0.243 0.000 1.714 248 C HN 0.875 nan 8.230 nan 0.000 0.473 249 D N 1.084 121.516 120.400 0.054 0.000 2.372 249 D HA 0.342 4.982 4.640 -0.000 0.000 0.243 249 D C -0.374 175.955 176.300 0.048 0.000 1.121 249 D CA 0.129 54.140 54.000 0.019 0.000 0.898 249 D CB 1.018 41.806 40.800 -0.019 0.000 1.202 249 D HN 0.478 nan 8.370 nan 0.000 0.428 250 L N 2.165 123.403 121.223 0.025 0.000 2.449 250 L HA 0.231 4.571 4.340 -0.000 0.000 0.255 250 L C 0.564 177.410 176.870 -0.040 0.000 1.167 250 L CA 0.297 55.149 54.840 0.021 0.000 1.090 250 L CB 0.098 42.154 42.059 -0.004 0.000 1.385 250 L HN 0.298 nan 8.230 nan 0.000 0.411 251 T N -1.024 113.470 114.554 -0.100 0.000 2.671 251 T HA 0.425 4.775 4.350 -0.000 0.000 0.300 251 T C -0.578 173.982 174.700 -0.234 0.000 1.238 251 T CA -0.278 61.739 62.100 -0.138 0.000 1.020 251 T CB 1.252 70.051 68.868 -0.116 0.000 1.503 251 T HN 0.304 nan 8.240 nan 0.000 0.497 252 S N 2.030 117.607 115.700 -0.205 0.000 2.593 252 S HA 0.111 4.581 4.470 -0.000 0.000 0.300 252 S C -1.866 172.482 174.600 -0.420 0.000 1.267 252 S CA -0.338 57.715 58.200 -0.245 0.000 1.065 252 S CB 0.331 63.437 63.200 -0.157 0.000 0.807 252 S HN 0.520 nan 8.310 nan 0.000 0.499 253 P HA -0.096 nan 4.420 nan 0.000 0.217 253 P C 1.547 178.549 177.300 -0.496 0.000 1.148 253 P CA 1.827 64.355 63.100 -0.954 0.000 0.828 253 P CB -0.192 31.192 31.700 -0.527 0.000 0.783 254 A N -0.361 122.317 122.820 -0.235 0.000 2.019 254 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 254 A C 1.888 179.412 177.584 -0.100 0.000 1.164 254 A CA 1.552 53.527 52.037 -0.102 0.000 0.644 254 A CB -0.752 18.210 19.000 -0.063 0.000 0.805 254 A HN 0.225 nan 8.150 nan 0.000 0.449 255 K N -0.653 119.650 120.400 -0.161 0.000 2.355 255 K HA 0.168 4.488 4.320 -0.000 0.000 0.198 255 K C 0.432 176.954 176.600 -0.129 0.000 1.039 255 K CA 0.099 56.319 56.287 -0.112 0.000 1.075 255 K CB 0.487 32.928 32.500 -0.099 0.000 0.870 255 K HN 0.264 nan 8.250 nan 0.000 0.540 256 S N 1.332 116.877 115.700 -0.258 0.000 2.537 256 S HA 0.282 4.752 4.470 -0.000 0.000 0.275 256 S C -0.364 174.259 174.600 0.040 0.000 1.272 256 S CA -0.651 57.425 58.200 -0.207 0.000 1.050 256 S CB 0.585 63.488 63.200 -0.495 0.000 0.961 256 S HN 0.126 nan 8.310 nan 0.000 0.496 257 R N 3.419 123.961 120.500 0.071 0.000 2.393 257 R HA 0.515 4.855 4.340 -0.000 0.000 0.310 257 R C -0.771 175.595 176.300 0.110 0.000 0.968 257 R CA -0.486 55.653 56.100 0.064 0.000 0.867 257 R CB 1.255 31.513 30.300 -0.070 0.000 1.124 257 R HN 0.588 nan 8.270 nan 0.000 0.450 258 I N 2.847 123.477 120.570 0.100 0.000 2.385 258 I HA 0.253 4.423 4.170 -0.000 0.000 0.294 258 I C 0.008 176.055 176.117 -0.115 0.000 0.988 258 I CA -0.340 60.954 61.300 -0.010 0.000 1.265 258 I CB 1.239 39.214 38.000 -0.041 0.000 1.388 258 I HN 0.309 nan 8.210 nan 0.000 0.480 259 K N 6.739 127.054 120.400 -0.142 0.000 2.270 259 K HA 0.661 4.981 4.320 -0.000 0.000 0.255 259 K C -1.090 175.413 176.600 -0.162 0.000 0.936 259 K CA -0.608 55.565 56.287 -0.189 0.000 0.809 259 K CB 2.477 34.827 32.500 -0.249 0.000 1.131 259 K HN 0.447 nan 8.250 nan 0.000 0.427 260 I N 3.143 123.611 120.570 -0.170 0.000 2.378 260 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 260 I C -0.962 175.146 176.117 -0.014 0.000 0.992 260 I CA -0.853 60.403 61.300 -0.074 0.000 1.154 260 I CB 0.929 38.828 38.000 -0.167 0.000 1.315 260 I HN 0.477 nan 8.210 nan 0.000 0.448 261 Y N 6.092 126.392 120.300 0.001 0.000 2.341 261 Y HA 0.475 5.025 4.550 -0.000 0.000 0.337 261 Y C -0.329 175.620 175.900 0.081 0.000 1.014 261 Y CA -0.963 57.152 58.100 0.026 0.000 1.111 261 Y CB 1.365 39.779 38.460 -0.077 0.000 1.194 261 Y HN 0.199 nan 8.280 nan 0.000 0.462 262 L N 5.009 126.387 121.223 0.258 0.000 2.322 262 L HA 0.403 4.742 4.340 -0.000 0.000 0.281 262 L C -0.409 176.547 176.870 0.145 0.000 1.014 262 L CA -0.742 54.236 54.840 0.231 0.000 0.815 262 L CB 1.673 43.927 42.059 0.324 0.000 1.247 262 L HN 0.630 nan 8.230 nan 0.000 0.421 263 L N 3.401 124.685 121.223 0.101 0.000 2.305 263 L HA 0.267 4.607 4.340 -0.000 0.000 0.281 263 L C -0.017 176.881 176.870 0.046 0.000 1.085 263 L CA -0.200 54.657 54.840 0.028 0.000 0.813 263 L CB 1.008 43.066 42.059 -0.001 0.000 1.157 263 L HN 0.609 nan 8.230 nan 0.000 0.436 264 E N 3.361 123.576 120.200 0.025 0.000 2.149 264 E HA 0.178 4.527 4.350 -0.000 0.000 0.255 264 E C 0.156 176.764 176.600 0.013 0.000 0.888 264 E CA -0.170 56.257 56.400 0.045 0.000 0.742 264 E CB 1.346 31.092 29.700 0.077 0.000 1.164 264 E HN 0.662 nan 8.360 nan 0.000 0.422 265 Q N 2.427 122.233 119.800 0.010 0.000 2.291 265 Q HA -0.051 4.289 4.340 -0.000 0.000 0.206 265 Q C 0.318 176.333 176.000 0.025 0.000 0.976 265 Q CA 0.700 56.502 55.803 -0.001 0.000 0.875 265 Q CB -0.023 28.728 28.738 0.021 0.000 0.927 265 Q HN 0.473 nan 8.270 nan 0.000 0.450 266 M N 1.096 120.719 119.600 0.038 0.000 2.108 266 M HA 0.125 4.605 4.480 -0.000 0.000 0.347 266 M C -1.201 175.142 176.300 0.071 0.000 1.326 266 M CA -0.166 55.164 55.300 0.049 0.000 1.126 266 M CB 0.927 33.550 32.600 0.038 0.000 1.606 266 M HN -0.302 nan 8.290 nan 0.000 0.462 267 V N 5.995 125.973 119.914 0.107 0.000 2.339 267 V HA 0.602 4.722 4.120 -0.000 0.000 0.261 267 V C -0.193 176.061 176.094 0.268 0.000 1.058 267 V CA -0.047 62.374 62.300 0.202 0.000 0.897 267 V CB -0.471 31.471 31.823 0.197 0.000 1.052 267 V HN 0.982 nan 8.190 nan 0.000 0.480 268 S N 3.971 119.759 115.700 0.147 0.000 2.547 268 S HA 0.481 4.950 4.470 -0.000 0.000 0.270 268 S C -0.004 174.142 174.600 -0.757 0.000 1.150 268 S CA -0.714 57.430 58.200 -0.093 0.000 0.850 268 S CB 1.850 65.016 63.200 -0.057 0.000 1.118 268 S HN 0.326 nan 8.310 nan 0.000 0.461 269 L N 1.467 121.885 121.223 -1.342 0.000 2.083 269 L HA 0.104 4.444 4.340 -0.000 0.000 0.209 269 L C 2.153 178.659 176.870 -0.607 0.000 1.083 269 L CA 2.148 56.120 54.840 -1.446 0.000 0.752 269 L CB -1.243 39.963 42.059 -1.423 0.000 0.899 269 L HN 0.889 nan 8.230 nan 0.000 0.433 270 E N 0.143 120.116 120.200 -0.378 0.000 2.058 270 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 270 E C 2.272 178.799 176.600 -0.121 0.000 0.997 270 E CA 1.673 57.960 56.400 -0.187 0.000 0.801 270 E CB -0.699 28.932 29.700 -0.115 0.000 0.746 270 E HN 0.608 nan 8.360 nan 0.000 0.450 271 A N 0.560 123.309 122.820 -0.118 0.000 1.902 271 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 271 A C 2.219 179.795 177.584 -0.013 0.000 1.181 271 A CA 1.821 53.840 52.037 -0.032 0.000 0.623 271 A CB -0.564 18.428 19.000 -0.012 0.000 0.818 271 A HN 0.304 nan 8.150 nan 0.000 0.443 272 M N -0.631 118.900 119.600 -0.114 0.000 2.175 272 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 272 M C 1.922 178.232 176.300 0.016 0.000 1.063 272 M CA 1.814 57.071 55.300 -0.071 0.000 1.119 272 M CB -0.218 32.266 32.600 -0.194 0.000 1.377 272 M HN 0.531 nan 8.290 nan 0.000 0.415 273 E N -0.099 120.073 120.200 -0.047 0.000 2.106 273 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 273 E C 1.497 178.178 176.600 0.134 0.000 0.984 273 E CA 1.586 58.012 56.400 0.043 0.000 0.806 273 E CB -0.205 29.473 29.700 -0.037 0.000 0.750 273 E HN 0.599 nan 8.360 nan 0.000 0.458 274 D N 0.633 121.093 120.400 0.100 0.000 2.117 274 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 274 D C 1.948 178.346 176.300 0.164 0.000 0.987 274 D CA 0.811 54.894 54.000 0.138 0.000 0.829 274 D CB 0.063 40.962 40.800 0.164 0.000 0.961 274 D HN 0.036 nan 8.370 nan 0.000 0.460 275 L N -0.298 121.068 121.223 0.238 0.000 2.017 275 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 275 L C 2.406 179.434 176.870 0.264 0.000 1.073 275 L CA 0.933 55.966 54.840 0.321 0.000 0.745 275 L CB -0.611 41.660 42.059 0.354 0.000 0.894 275 L HN 0.366 nan 8.230 nan 0.000 0.432 276 W N 1.232 122.567 121.300 0.059 0.000 2.321 276 W HA -0.260 4.400 4.660 -0.000 0.000 0.306 276 W C 2.185 178.727 176.519 0.038 0.000 1.217 276 W CA 2.252 59.627 57.345 0.051 0.000 1.257 276 W CB -0.086 29.401 29.460 0.045 0.000 1.145 276 W HN 0.344 nan 8.180 nan 0.000 0.509 277 T N -1.359 113.263 114.554 0.115 0.000 3.086 277 T HA 0.149 4.499 4.350 -0.000 0.000 0.250 277 T C 0.992 175.599 174.700 -0.154 0.000 1.074 277 T CA 0.105 62.202 62.100 -0.005 0.000 0.988 277 T CB -0.433 68.481 68.868 0.078 0.000 0.988 277 T HN 0.054 nan 8.240 nan 0.000 0.530 278 L N 1.182 122.205 121.223 -0.333 0.000 3.762 278 L HA -0.132 4.208 4.340 -0.000 0.000 0.460 278 L C 1.215 177.752 176.870 -0.556 0.000 1.255 278 L CA 0.610 54.921 54.840 -0.882 0.000 0.783 278 L CB -2.088 39.594 42.059 -0.629 0.000 1.600 278 L HN 0.704 nan 8.230 nan 0.000 0.862 279 G N -0.913 107.756 108.800 -0.218 0.000 2.273 279 G HA2 0.123 4.083 3.960 -0.000 0.000 0.280 279 G HA3 0.123 4.083 3.960 -0.000 0.000 0.280 279 G C 1.203 176.129 174.900 0.044 0.000 1.047 279 G CA 0.655 45.814 45.100 0.098 0.000 0.869 279 G HN 1.996 nan 8.290 nan 0.000 0.502 280 G N -1.542 107.262 108.800 0.007 0.000 2.175 280 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 280 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 280 G C 1.081 175.982 174.900 0.002 0.000 0.982 280 G CA 1.090 46.201 45.100 0.017 0.000 0.641 280 G HN 0.932 nan 8.290 nan 0.000 0.527 281 R N -0.242 120.241 120.500 -0.028 0.000 2.119 281 R HA 0.129 4.468 4.340 -0.000 0.000 0.222 281 R C 1.220 177.504 176.300 -0.027 0.000 1.088 281 R CA 0.593 56.676 56.100 -0.028 0.000 0.984 281 R CB 0.031 30.302 30.300 -0.049 0.000 0.884 281 R HN 0.288 nan 8.270 nan 0.000 0.447 282 R N 1.448 121.925 120.500 -0.038 0.000 2.198 282 R HA 0.215 4.555 4.340 -0.000 0.000 0.339 282 R C 0.227 176.539 176.300 0.019 0.000 1.020 282 R CA -0.073 56.014 56.100 -0.023 0.000 0.864 282 R CB 0.994 31.253 30.300 -0.069 0.000 1.105 282 R HN 0.189 nan 8.270 nan 0.000 0.463 283 R N 0.861 121.379 120.500 0.029 0.000 2.566 283 R HA 0.068 4.408 4.340 -0.000 0.000 0.388 283 R C -0.198 176.134 176.300 0.053 0.000 0.989 283 R CA -0.384 55.744 56.100 0.046 0.000 1.164 283 R CB 0.485 30.806 30.300 0.035 0.000 1.459 283 R HN 0.595 nan 8.270 nan 0.000 0.553 284 D N 0.891 121.323 120.400 0.054 0.000 2.360 284 D HA 0.076 4.716 4.640 -0.000 0.000 0.242 284 D C 0.955 177.306 176.300 0.085 0.000 1.184 284 D CA 0.105 54.141 54.000 0.060 0.000 0.930 284 D CB 1.072 41.903 40.800 0.052 0.000 1.161 284 D HN -0.052 nan 8.370 nan 0.000 0.447 285 A N 1.459 124.328 122.820 0.083 0.000 1.892 285 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 285 A C 2.320 179.992 177.584 0.146 0.000 1.188 285 A CA 2.512 54.607 52.037 0.097 0.000 0.631 285 A CB -1.017 18.034 19.000 0.084 0.000 0.822 285 A HN 0.635 nan 8.150 nan 0.000 0.447 286 S N -1.318 114.488 115.700 0.178 0.000 2.368 286 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 286 S C 2.066 176.875 174.600 0.348 0.000 1.030 286 S CA 2.168 60.548 58.200 0.300 0.000 0.999 286 S CB -0.645 62.702 63.200 0.245 0.000 0.844 286 S HN 0.634 nan 8.310 nan 0.000 0.459 287 T N 2.647 117.352 114.554 0.251 0.000 2.759 287 T HA 0.006 4.355 4.350 -0.000 0.000 0.269 287 T C 1.665 176.601 174.700 0.393 0.000 1.042 287 T CA 1.437 63.719 62.100 0.304 0.000 1.140 287 T CB -0.309 68.645 68.868 0.143 0.000 0.864 287 T HN 0.341 nan 8.240 nan 0.000 0.455 288 L N 0.339 121.693 121.223 0.218 0.000 2.131 288 L HA 0.010 4.349 4.340 -0.000 0.000 0.206 288 L C 2.636 179.536 176.870 0.049 0.000 1.087 288 L CA 1.133 56.057 54.840 0.139 0.000 0.767 288 L CB -0.514 41.598 42.059 0.088 0.000 0.917 288 L HN 0.292 nan 8.230 nan 0.000 0.441 289 E N 0.400 120.610 120.200 0.016 0.000 2.077 289 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 289 E C 2.226 178.584 176.600 -0.403 0.000 0.989 289 E CA 1.166 57.473 56.400 -0.155 0.000 0.800 289 E CB -0.274 29.365 29.700 -0.101 0.000 0.746 289 E HN 0.534 nan 8.360 nan 0.000 0.452 290 G N 1.140 109.725 108.800 -0.359 0.000 2.408 290 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 290 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 290 G C 1.538 176.300 174.900 -0.230 0.000 1.150 290 G CA 0.406 45.395 45.100 -0.186 0.000 0.776 290 G HN 0.139 nan 8.290 nan 0.000 0.542 291 L N 1.130 122.250 121.223 -0.173 0.000 2.083 291 L HA 0.046 4.386 4.340 -0.000 0.000 0.209 291 L C 2.843 179.533 176.870 -0.301 0.000 1.083 291 L CA 2.126 56.715 54.840 -0.417 0.000 0.752 291 L CB -0.722 41.289 42.059 -0.080 0.000 0.899 291 L HN 0.153 nan 8.230 nan 0.000 0.433 292 S N -0.400 115.186 115.700 -0.189 0.000 2.365 292 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 292 S C 1.901 176.391 174.600 -0.183 0.000 1.039 292 S CA 1.968 60.076 58.200 -0.154 0.000 1.033 292 S CB -0.461 62.667 63.200 -0.118 0.000 0.887 292 S HN 0.490 nan 8.310 nan 0.000 0.447 293 L N 0.655 121.742 121.223 -0.226 0.000 2.109 293 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 293 L C 2.299 178.880 176.870 -0.483 0.000 1.086 293 L CA 0.548 55.244 54.840 -0.239 0.000 0.760 293 L CB -0.581 41.417 42.059 -0.102 0.000 0.910 293 L HN 0.171 nan 8.230 nan 0.000 0.437 294 V N 0.093 119.647 119.914 -0.599 0.000 2.287 294 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 294 V C 2.665 178.668 176.094 -0.152 0.000 1.053 294 V CA 1.901 63.913 62.300 -0.480 0.000 1.027 294 V CB -0.592 30.839 31.823 -0.654 0.000 0.646 294 V HN 0.413 nan 8.190 nan 0.000 0.447 295 R N -0.447 119.954 120.500 -0.165 0.000 2.081 295 R HA -0.192 4.147 4.340 -0.000 0.000 0.235 295 R C 2.419 178.720 176.300 0.002 0.000 1.131 295 R CA 1.765 57.838 56.100 -0.045 0.000 0.960 295 R CB -0.321 29.928 30.300 -0.085 0.000 0.856 295 R HN 0.654 nan 8.270 nan 0.000 0.436 296 E N 0.957 121.112 120.200 -0.075 0.000 2.058 296 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 296 E C 1.955 178.481 176.600 -0.123 0.000 0.997 296 E CA 1.169 57.530 56.400 -0.065 0.000 0.801 296 E CB -0.046 29.630 29.700 -0.039 0.000 0.746 296 E HN 0.239 nan 8.360 nan 0.000 0.450 297 L N 0.395 121.451 121.223 -0.278 0.000 2.012 297 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 297 L C 2.565 179.158 176.870 -0.462 0.000 1.073 297 L CA 1.468 55.947 54.840 -0.601 0.000 0.748 297 L CB -0.712 40.688 42.059 -1.098 0.000 0.891 297 L HN 0.496 nan 8.230 nan 0.000 0.431 298 W N 1.705 122.877 121.300 -0.214 0.000 2.318 298 W HA -0.272 4.388 4.660 -0.000 0.000 0.313 298 W C 2.032 178.509 176.519 -0.071 0.000 1.221 298 W CA 2.163 59.532 57.345 0.039 0.000 1.266 298 W CB -0.248 29.282 29.460 0.118 0.000 1.150 298 W HN 0.297 nan 8.180 nan 0.000 0.496 299 D N 0.496 120.948 120.400 0.086 0.000 2.144 299 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 299 D C 2.319 178.533 176.300 -0.145 0.000 0.984 299 D CA 1.562 55.562 54.000 -0.001 0.000 0.834 299 D CB -0.739 40.081 40.800 0.034 0.000 0.955 299 D HN 0.253 nan 8.370 nan 0.000 0.465 300 L N 0.016 121.119 121.223 -0.199 0.000 2.131 300 L HA 0.001 4.340 4.340 -0.000 0.000 0.206 300 L C 2.363 179.058 176.870 -0.293 0.000 1.087 300 L CA 0.545 55.247 54.840 -0.230 0.000 0.767 300 L CB -0.071 41.842 42.059 -0.244 0.000 0.917 300 L HN -0.014 nan 8.230 nan 0.000 0.441 301 I N -0.979 119.356 120.570 -0.392 0.000 2.500 301 I HA -0.175 3.995 4.170 -0.000 0.000 0.252 301 I C 0.551 176.451 176.117 -0.362 0.000 1.142 301 I CA 0.369 61.428 61.300 -0.402 0.000 1.451 301 I CB -0.007 37.696 38.000 -0.494 0.000 1.093 301 I HN 0.308 nan 8.210 nan 0.000 0.430 302 Q N 1.531 121.060 119.800 -0.452 0.000 2.459 302 Q HA -0.166 4.174 4.340 -0.000 0.000 0.322 302 Q C -0.472 175.294 176.000 -0.390 0.000 1.427 302 Q CA 0.035 55.589 55.803 -0.414 0.000 0.861 302 Q CB -1.746 26.849 28.738 -0.238 0.000 1.137 302 Q HN 0.480 nan 8.270 nan 0.000 0.394 303 L N 0.354 121.236 121.223 -0.569 0.000 2.506 303 L HA 0.057 4.397 4.340 -0.000 0.000 0.281 303 L C 1.099 177.829 176.870 -0.233 0.000 1.228 303 L CA 0.281 54.899 54.840 -0.369 0.000 0.850 303 L CB 0.553 42.361 42.059 -0.418 0.000 1.110 303 L HN 0.253 nan 8.230 nan 0.000 0.496 304 S N 4.574 120.217 115.700 -0.094 0.000 2.443 304 S HA 0.235 4.705 4.470 -0.000 0.000 0.284 304 S C -1.972 172.656 174.600 0.047 0.000 1.206 304 S CA -1.335 56.853 58.200 -0.020 0.000 1.074 304 S CB 0.297 63.493 63.200 -0.007 0.000 0.963 304 S HN 0.332 nan 8.310 nan 0.000 0.501 305 P HA 0.608 nan 4.420 nan 0.000 0.276 305 P C 0.295 177.664 177.300 0.114 0.000 1.244 305 P CA 0.061 63.267 63.100 0.177 0.000 0.801 305 P CB 0.805 32.639 31.700 0.223 0.000 1.006 306 G N 0.044 108.912 108.800 0.114 0.000 2.355 306 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.619 306 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.619 306 G C -1.353 173.586 174.900 0.065 0.000 1.337 306 G CA -0.993 44.152 45.100 0.075 0.000 0.993 306 G HN 0.530 nan 8.290 nan 0.000 0.599 307 L N 0.682 121.934 121.223 0.049 0.000 2.453 307 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 307 L C 0.228 177.120 176.870 0.038 0.000 1.182 307 L CA -0.113 54.752 54.840 0.042 0.000 0.858 307 L CB 0.523 42.605 42.059 0.037 0.000 1.120 307 L HN 0.370 nan 8.230 nan 0.000 0.474 308 K N 2.702 123.119 120.400 0.029 0.000 2.324 308 K HA 0.419 4.739 4.320 -0.000 0.000 0.253 308 K C -0.564 176.043 176.600 0.013 0.000 0.932 308 K CA -0.573 55.724 56.287 0.018 0.000 0.799 308 K CB 2.000 34.502 32.500 0.003 0.000 1.154 308 K HN 0.433 nan 8.250 nan 0.000 0.425 309 S N 1.278 116.999 115.700 0.035 0.000 2.614 309 S HA 0.278 4.748 4.470 -0.000 0.000 0.265 309 S C -0.182 174.456 174.600 0.064 0.000 1.303 309 S CA -0.477 57.772 58.200 0.082 0.000 1.000 309 S CB 0.116 63.366 63.200 0.084 0.000 0.935 309 S HN 0.289 nan 8.310 nan 0.000 0.551 310 Y N 2.766 123.064 120.300 -0.003 0.000 2.597 310 Y HA 0.181 4.731 4.550 -0.000 0.000 0.336 310 Y C -0.982 174.906 175.900 -0.019 0.000 1.216 310 Y CA -1.032 57.059 58.100 -0.015 0.000 1.463 310 Y CB -0.080 38.369 38.460 -0.019 0.000 1.303 310 Y HN 0.463 nan 8.280 nan 0.000 0.576 311 P HA 0.377 nan 4.420 nan 0.000 0.297 311 P C -1.130 176.185 177.300 0.025 0.000 1.307 311 P CA -0.682 62.440 63.100 0.036 0.000 0.773 311 P CB 0.662 32.359 31.700 -0.004 0.000 1.265 312 A N 0.500 123.308 122.820 -0.020 0.000 2.555 312 A HA 0.152 4.472 4.320 -0.000 0.000 0.233 312 A C -1.241 176.310 177.584 -0.055 0.000 1.060 312 A CA -0.491 51.511 52.037 -0.058 0.000 0.759 312 A CB -1.388 17.545 19.000 -0.112 0.000 0.995 312 A HN 0.394 nan 8.150 nan 0.000 0.506 313 P HA -0.060 nan 4.420 nan 0.000 0.216 313 P C -0.134 177.215 177.300 0.081 0.000 1.153 313 P CA 2.055 65.170 63.100 0.026 0.000 0.858 313 P CB -0.106 31.636 31.700 0.069 0.000 0.789 314 Y N -4.734 115.477 120.300 -0.149 0.000 2.725 314 Y HA 0.602 5.152 4.550 -0.000 0.000 0.333 314 Y C -1.528 174.269 175.900 -0.172 0.000 1.242 314 Y CA -1.713 56.269 58.100 -0.196 0.000 1.059 314 Y CB 0.567 38.913 38.460 -0.191 0.000 1.306 314 Y HN -0.398 nan 8.280 nan 0.000 0.454 315 L N 2.549 123.641 121.223 -0.219 0.000 2.325 315 L HA 0.626 4.966 4.340 -0.000 0.000 0.278 315 L C -2.529 174.363 176.870 0.036 0.000 1.023 315 L CA -2.279 52.427 54.840 -0.224 0.000 0.811 315 L CB 1.861 43.747 42.059 -0.289 0.000 1.249 315 L HN 0.418 nan 8.230 nan 0.000 0.431 316 P HA 0.097 nan 4.420 nan 0.000 0.269 316 P C -0.514 176.921 177.300 0.225 0.000 1.209 316 P CA -0.260 62.913 63.100 0.122 0.000 0.776 316 P CB 0.432 32.151 31.700 0.032 0.000 0.876 317 L N 1.672 122.980 121.223 0.142 0.000 2.485 317 L HA 0.198 4.538 4.340 -0.000 0.000 0.275 317 L C 1.842 178.685 176.870 -0.046 0.000 1.207 317 L CA 1.255 56.082 54.840 -0.021 0.000 0.855 317 L CB -0.746 41.299 42.059 -0.024 0.000 1.114 317 L HN 0.832 nan 8.230 nan 0.000 0.485 318 G N 1.995 110.684 108.800 -0.185 0.000 2.241 318 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 318 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 318 G C 0.030 174.883 174.900 -0.078 0.000 0.998 318 G CA -0.085 44.945 45.100 -0.116 0.000 0.621 318 G HN 0.402 nan 8.290 nan 0.000 0.519 319 V N 3.314 123.232 119.914 0.007 0.000 2.406 319 V HA 0.541 4.660 4.120 -0.000 0.000 0.272 319 V C 1.086 177.236 176.094 0.094 0.000 1.043 319 V CA -0.310 62.027 62.300 0.062 0.000 0.915 319 V CB 1.097 32.972 31.823 0.087 0.000 0.988 319 V HN 0.614 nan 8.190 nan 0.000 0.466 320 I N 5.533 126.128 120.570 0.042 0.000 2.575 320 I HA 0.507 4.677 4.170 -0.000 0.000 0.285 320 I C -1.968 174.196 176.117 0.079 0.000 1.085 320 I CA -1.589 59.752 61.300 0.068 0.000 1.403 320 I CB 0.946 39.001 38.000 0.092 0.000 1.409 320 I HN 0.390 nan 8.210 nan 0.000 0.557 321 P HA 0.170 nan 4.420 nan 0.000 0.276 321 P C -1.279 176.033 177.300 0.020 0.000 1.244 321 P CA -0.134 62.999 63.100 0.056 0.000 0.801 321 P CB 0.857 32.574 31.700 0.028 0.000 1.006 322 D N 0.258 120.678 120.400 0.032 0.000 2.513 322 D HA 0.214 4.854 4.640 -0.000 0.000 0.295 322 D C -0.432 175.888 176.300 0.034 0.000 1.202 322 D CA -0.516 53.496 54.000 0.021 0.000 0.849 322 D CB 0.277 41.086 40.800 0.015 0.000 1.116 322 D HN 0.557 nan 8.370 nan 0.000 0.502 323 E N -0.040 120.188 120.200 0.047 0.000 2.407 323 E HA 0.633 4.983 4.350 -0.000 0.000 0.279 323 E C -1.123 175.523 176.600 0.077 0.000 1.012 323 E CA -1.144 55.298 56.400 0.070 0.000 0.800 323 E CB 1.697 31.461 29.700 0.107 0.000 1.276 323 E HN -0.105 nan 8.360 nan 0.000 0.452 324 R N 1.358 121.899 120.500 0.067 0.000 2.621 324 R HA 0.578 4.918 4.340 -0.000 0.000 0.292 324 R C -0.840 175.497 176.300 0.061 0.000 0.969 324 R CA -0.801 55.340 56.100 0.068 0.000 0.887 324 R CB 1.577 31.902 30.300 0.042 0.000 1.180 324 R HN 0.593 nan 8.270 nan 0.000 0.450 325 L N 2.941 124.206 121.223 0.070 0.000 2.322 325 L HA 0.562 4.902 4.340 -0.000 0.000 0.269 325 L C -2.014 174.853 176.870 -0.005 0.000 1.012 325 L CA -2.299 52.553 54.840 0.020 0.000 0.815 325 L CB 1.780 43.858 42.059 0.032 0.000 1.295 325 L HN 0.216 nan 8.230 nan 0.000 0.438 326 P HA 0.028 nan 4.420 nan 0.000 0.267 326 P C -0.498 176.779 177.300 -0.038 0.000 1.201 326 P CA 0.011 63.067 63.100 -0.074 0.000 0.775 326 P CB 0.402 31.991 31.700 -0.185 0.000 0.854 327 L N 1.535 122.760 121.223 0.004 0.000 2.476 327 L HA 0.415 4.755 4.340 -0.000 0.000 0.255 327 L C 0.687 177.547 176.870 -0.016 0.000 1.218 327 L CA -0.077 54.777 54.840 0.022 0.000 0.819 327 L CB 0.092 42.182 42.059 0.053 0.000 1.119 327 L HN 0.439 nan 8.230 nan 0.000 0.485 328 M N 0.917 120.522 119.600 0.007 0.000 2.550 328 M HA 0.742 5.222 4.480 -0.000 0.000 0.292 328 M C -1.802 174.594 176.300 0.160 0.000 1.221 328 M CA -0.333 54.956 55.300 -0.017 0.000 0.873 328 M CB 2.427 34.850 32.600 -0.295 0.000 1.727 328 M HN 0.624 nan 8.290 nan 0.000 0.459 329 A N 2.509 125.407 122.820 0.130 0.000 2.515 329 A HA 0.783 5.103 4.320 -0.000 0.000 0.298 329 A C -1.809 175.697 177.584 -0.129 0.000 1.059 329 A CA -0.768 51.310 52.037 0.069 0.000 0.698 329 A CB 1.459 20.431 19.000 -0.048 0.000 1.289 329 A HN 0.961 nan 8.150 nan 0.000 0.404 330 N N -0.755 117.730 118.700 -0.359 0.000 2.381 330 N HA 0.810 5.550 4.740 -0.000 0.000 0.294 330 N C -1.435 173.558 175.510 -0.863 0.000 1.216 330 N CA -0.628 52.039 53.050 -0.639 0.000 0.803 330 N CB 1.087 38.870 38.487 -1.173 0.000 1.372 330 N HN 0.311 nan 8.380 nan 0.000 0.500 331 F N -0.548 119.255 119.950 -0.246 0.000 2.536 331 F HA 0.399 4.925 4.527 -0.000 0.000 0.322 331 F C -0.160 175.514 175.800 -0.211 0.000 1.144 331 F CA -0.732 57.164 58.000 -0.172 0.000 0.924 331 F CB 2.266 41.210 39.000 -0.093 0.000 1.181 331 F HN 0.316 nan 8.300 nan 0.000 0.438 332 T N 4.786 119.278 114.554 -0.102 0.000 2.817 332 T HA 0.426 4.776 4.350 -0.000 0.000 0.293 332 T C 0.095 174.677 174.700 -0.196 0.000 0.964 332 T CA -0.416 61.547 62.100 -0.229 0.000 1.085 332 T CB 0.447 69.063 68.868 -0.420 0.000 0.921 332 T HN 0.353 nan 8.240 nan 0.000 0.502 333 L N 5.368 126.486 121.223 -0.175 0.000 2.352 333 L HA 0.297 4.637 4.340 -0.000 0.000 0.272 333 L C 0.688 177.507 176.870 -0.085 0.000 1.109 333 L CA -0.770 54.020 54.840 -0.082 0.000 0.952 333 L CB -0.252 41.777 42.059 -0.050 0.000 1.314 333 L HN 0.565 nan 8.230 nan 0.000 0.427 334 H N 2.246 121.333 119.070 0.028 0.000 2.652 334 H HA 0.082 4.638 4.556 -0.000 0.000 0.349 334 H C 0.363 175.717 175.328 0.043 0.000 1.099 334 H CA 0.146 56.214 56.048 0.032 0.000 1.417 334 H CB 1.610 31.378 29.762 0.010 0.000 1.457 334 H HN 0.577 nan 8.280 nan 0.000 0.568 335 Q N 1.197 121.106 119.800 0.183 0.000 2.389 335 Q HA -0.080 4.259 4.340 -0.000 0.000 0.204 335 Q C 0.642 176.699 176.000 0.096 0.000 0.944 335 Q CA 0.703 56.583 55.803 0.128 0.000 0.908 335 Q CB 0.302 29.117 28.738 0.128 0.000 1.002 335 Q HN 0.578 nan 8.270 nan 0.000 0.493 336 N N -0.600 118.158 118.700 0.095 0.000 2.234 336 N HA 0.034 4.774 4.740 -0.000 0.000 0.227 336 N C -1.043 174.481 175.510 0.023 0.000 1.151 336 N CA 0.064 53.140 53.050 0.045 0.000 0.865 336 N CB 0.717 39.216 38.487 0.020 0.000 1.066 336 N HN -0.109 nan 8.380 nan 0.000 0.515 337 D N 0.313 120.746 120.400 0.055 0.000 2.936 337 D HA 0.267 4.907 4.640 -0.000 0.000 0.238 337 D C -2.158 174.178 176.300 0.061 0.000 1.248 337 D CA -1.488 52.531 54.000 0.032 0.000 0.903 337 D CB 2.960 43.753 40.800 -0.013 0.000 1.544 337 D HN -0.131 nan 8.370 nan 0.000 0.543 338 P HA 0.011 nan 4.420 nan 0.000 0.229 338 P C 0.374 177.696 177.300 0.037 0.000 1.160 338 P CA 0.179 63.301 63.100 0.036 0.000 0.777 338 P CB 0.637 32.351 31.700 0.023 0.000 0.814 339 V N 3.433 123.370 119.914 0.037 0.000 2.394 339 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 339 V C -2.183 173.946 176.094 0.059 0.000 1.031 339 V CA -2.245 60.072 62.300 0.028 0.000 0.881 339 V CB 1.264 33.089 31.823 0.004 0.000 0.982 339 V HN -0.029 nan 8.190 nan 0.000 0.451 340 P HA 0.117 nan 4.420 nan 0.000 0.268 340 P C -0.507 176.858 177.300 0.108 0.000 1.205 340 P CA -0.043 63.114 63.100 0.095 0.000 0.771 340 P CB 0.783 32.537 31.700 0.090 0.000 0.858 341 E N 4.364 124.626 120.200 0.103 0.000 2.146 341 E HA 0.300 4.649 4.350 -0.000 0.000 0.282 341 E C -2.255 174.272 176.600 -0.122 0.000 0.989 341 E CA -2.651 53.752 56.400 0.005 0.000 0.799 341 E CB 0.962 30.729 29.700 0.112 0.000 1.088 341 E HN 0.284 nan 8.360 nan 0.000 0.397 342 P HA 0.126 nan 4.420 nan 0.000 0.284 342 P C -1.417 175.654 177.300 -0.381 0.000 1.258 342 P CA -0.422 62.346 63.100 -0.552 0.000 0.824 342 P CB 1.133 32.502 31.700 -0.552 0.000 1.038 343 Q N 1.495 121.100 119.800 -0.324 0.000 2.304 343 Q HA 0.513 4.853 4.340 -0.000 0.000 0.270 343 Q C -1.189 174.773 176.000 -0.064 0.000 1.035 343 Q CA -0.911 54.835 55.803 -0.095 0.000 0.781 343 Q CB 1.881 30.539 28.738 -0.133 0.000 1.261 343 Q HN 0.365 nan 8.270 nan 0.000 0.444 344 V N 1.023 120.999 119.914 0.104 0.000 2.630 344 V HA 0.616 4.736 4.120 -0.000 0.000 0.305 344 V C -1.333 174.724 176.094 -0.062 0.000 1.046 344 V CA -0.664 61.685 62.300 0.081 0.000 0.934 344 V CB 1.144 33.033 31.823 0.110 0.000 1.003 344 V HN 0.699 nan 8.190 nan 0.000 0.451 345 Y N 2.466 122.766 120.300 -0.000 0.000 2.328 345 Y HA 0.658 5.208 4.550 -0.000 0.000 0.337 345 Y C -0.421 175.471 175.900 -0.013 0.000 0.966 345 Y CA -0.952 57.194 58.100 0.076 0.000 1.136 345 Y CB 1.728 40.176 38.460 -0.021 0.000 1.170 345 Y HN 0.604 nan 8.280 nan 0.000 0.470 346 F N 2.071 122.182 119.950 0.268 0.000 2.368 346 F HA 0.247 4.773 4.527 -0.000 0.000 0.362 346 F C 0.532 176.465 175.800 0.220 0.000 1.137 346 F CA -0.656 57.453 58.000 0.182 0.000 1.161 346 F CB 0.689 39.729 39.000 0.068 0.000 1.265 346 F HN 0.341 nan 8.300 nan 0.000 0.530 347 T N 1.319 116.052 114.554 0.299 0.000 2.855 347 T HA 0.082 4.432 4.350 -0.000 0.000 0.290 347 T C 1.309 176.161 174.700 0.253 0.000 0.941 347 T CA -0.213 62.054 62.100 0.279 0.000 1.030 347 T CB 0.173 69.129 68.868 0.147 0.000 0.935 347 T HN 0.721 nan 8.240 nan 0.000 0.564 348 T N 0.326 115.059 114.554 0.297 0.000 3.081 348 T HA 0.160 4.510 4.350 -0.000 0.000 0.250 348 T C 0.569 175.401 174.700 0.220 0.000 1.100 348 T CA -0.543 61.677 62.100 0.200 0.000 1.038 348 T CB -0.428 68.534 68.868 0.156 0.000 0.962 348 T HN 0.447 nan 8.240 nan 0.000 0.516 349 F N 2.903 122.954 119.950 0.168 0.000 2.612 349 F HA 0.375 4.901 4.527 -0.000 0.000 0.389 349 F C 1.464 177.330 175.800 0.109 0.000 1.055 349 F CA 1.204 59.297 58.000 0.156 0.000 1.232 349 F CB -0.140 38.950 39.000 0.149 0.000 1.044 349 F HN 0.386 nan 8.300 nan 0.000 0.560 350 G N 4.803 113.270 108.800 -0.555 0.000 2.238 350 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 350 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 350 G C 0.167 174.972 174.900 -0.158 0.000 0.996 350 G CA 0.024 44.903 45.100 -0.368 0.000 0.632 350 G HN 0.631 nan 8.290 nan 0.000 0.503 351 M N 1.008 120.549 119.600 -0.099 0.000 2.291 351 M HA 0.287 4.767 4.480 -0.000 0.000 0.324 351 M C 0.693 176.955 176.300 -0.063 0.000 1.148 351 M CA -0.581 54.680 55.300 -0.064 0.000 1.104 351 M CB 0.678 33.248 32.600 -0.050 0.000 1.483 351 M HN 0.210 nan 8.290 nan 0.000 0.467 352 N N 1.749 120.415 118.700 -0.056 0.000 2.411 352 N HA -0.091 4.649 4.740 -0.000 0.000 0.265 352 N C -0.268 175.225 175.510 -0.029 0.000 1.266 352 N CA 0.236 53.260 53.050 -0.044 0.000 0.889 352 N CB 0.655 39.118 38.487 -0.040 0.000 1.069 352 N HN 0.620 nan 8.380 nan 0.000 0.476 353 D N 3.623 124.024 120.400 0.001 0.000 2.183 353 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 353 D C 1.743 178.100 176.300 0.096 0.000 0.969 353 D CA 0.959 55.027 54.000 0.113 0.000 0.842 353 D CB 0.280 41.145 40.800 0.107 0.000 0.957 353 D HN 0.601 nan 8.370 nan 0.000 0.484 354 M N 0.746 120.372 119.600 0.045 0.000 2.175 354 M HA -0.021 4.459 4.480 -0.000 0.000 0.264 354 M C 2.298 178.595 176.300 -0.006 0.000 1.063 354 M CA 0.510 55.834 55.300 0.039 0.000 1.119 354 M CB -1.149 31.470 32.600 0.031 0.000 1.377 354 M HN -0.080 nan 8.290 nan 0.000 0.415 355 A N -0.101 122.696 122.820 -0.040 0.000 1.877 355 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 355 A C 2.449 179.950 177.584 -0.138 0.000 1.186 355 A CA 1.858 53.846 52.037 -0.080 0.000 0.620 355 A CB -0.975 17.975 19.000 -0.083 0.000 0.822 355 A HN 0.286 nan 8.150 nan 0.000 0.443 356 V N -0.151 119.653 119.914 -0.183 0.000 2.343 356 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 356 V C 3.047 178.936 176.094 -0.342 0.000 1.051 356 V CA 1.907 64.005 62.300 -0.337 0.000 1.036 356 V CB -1.251 30.265 31.823 -0.511 0.000 0.654 356 V HN 0.616 nan 8.190 nan 0.000 0.451 357 A N -0.223 122.503 122.820 -0.156 0.000 1.933 357 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 357 A C 1.988 179.555 177.584 -0.030 0.000 1.175 357 A CA 1.988 54.076 52.037 0.084 0.000 0.628 357 A CB -0.593 18.619 19.000 0.352 0.000 0.814 357 A HN 0.531 nan 8.150 nan 0.000 0.444 358 D N 0.094 120.458 120.400 -0.060 0.000 2.117 358 D HA -0.062 4.577 4.640 -0.000 0.000 0.197 358 D C 2.266 178.472 176.300 -0.158 0.000 0.987 358 D CA 1.549 55.501 54.000 -0.079 0.000 0.829 358 D CB -0.424 40.335 40.800 -0.068 0.000 0.961 358 D HN 0.416 nan 8.370 nan 0.000 0.460 359 A N 0.580 123.270 122.820 -0.217 0.000 1.877 359 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 359 A C 2.421 179.775 177.584 -0.383 0.000 1.186 359 A CA 0.940 52.810 52.037 -0.277 0.000 0.620 359 A CB -0.805 18.009 19.000 -0.310 0.000 0.822 359 A HN 0.204 nan 8.150 nan 0.000 0.443 360 L N -0.764 120.150 121.223 -0.516 0.000 2.017 360 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 360 L C 2.829 179.052 176.870 -1.078 0.000 1.073 360 L CA 1.816 56.111 54.840 -0.909 0.000 0.745 360 L CB -0.956 40.502 42.059 -1.003 0.000 0.894 360 L HN 0.351 nan 8.230 nan 0.000 0.432 361 T N -1.117 113.121 114.554 -0.527 0.000 2.699 361 T HA -0.215 4.134 4.350 -0.000 0.000 0.268 361 T C 1.856 176.469 174.700 -0.145 0.000 1.036 361 T CA 2.030 64.029 62.100 -0.168 0.000 1.147 361 T CB -0.345 68.533 68.868 0.017 0.000 0.862 361 T HN 0.384 nan 8.240 nan 0.000 0.446 362 T N 1.560 116.003 114.554 -0.184 0.000 2.777 362 T HA -0.024 4.325 4.350 -0.000 0.000 0.266 362 T C 1.541 176.137 174.700 -0.173 0.000 1.040 362 T CA 0.937 62.952 62.100 -0.142 0.000 1.141 362 T CB -0.527 68.261 68.868 -0.132 0.000 0.868 362 T HN 0.357 nan 8.240 nan 0.000 0.444 363 F N 1.532 121.240 119.950 -0.405 0.000 2.095 363 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 363 F C 1.710 177.309 175.800 -0.335 0.000 1.104 363 F CA 1.245 58.992 58.000 -0.422 0.000 1.232 363 F CB -0.459 38.218 39.000 -0.538 0.000 0.987 363 F HN 0.060 nan 8.300 nan 0.000 0.475 364 F N 1.087 120.964 119.950 -0.122 0.000 2.095 364 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 364 F C 2.461 178.127 175.800 -0.223 0.000 1.104 364 F CA 1.513 59.427 58.000 -0.142 0.000 1.232 364 F CB -1.566 37.531 39.000 0.161 0.000 0.987 364 F HN 0.088 nan 8.300 nan 0.000 0.475 365 E N -0.061 120.158 120.200 0.032 0.000 2.085 365 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 365 E C 2.312 178.822 176.600 -0.149 0.000 0.994 365 E CA 1.273 57.657 56.400 -0.027 0.000 0.801 365 E CB -0.231 29.452 29.700 -0.028 0.000 0.743 365 E HN 0.394 nan 8.360 nan 0.000 0.453 366 R N 0.228 120.564 120.500 -0.273 0.000 2.115 366 R HA 0.022 4.362 4.340 -0.000 0.000 0.226 366 R C 1.924 177.963 176.300 -0.435 0.000 1.100 366 R CA 0.575 56.474 56.100 -0.334 0.000 0.980 366 R CB 0.079 30.157 30.300 -0.370 0.000 0.875 366 R HN -0.008 nan 8.270 nan 0.000 0.445 367 R N -0.114 119.981 120.500 -0.675 0.000 2.313 367 R HA 0.070 4.410 4.340 -0.000 0.000 0.199 367 R C 1.000 177.030 176.300 -0.450 0.000 0.958 367 R CA 0.763 56.389 56.100 -0.791 0.000 1.047 367 R CB 0.027 29.306 30.300 -1.701 0.000 0.955 367 R HN 0.445 nan 8.270 nan 0.000 0.481 368 G N 0.622 109.284 108.800 -0.230 0.000 2.153 368 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.252 368 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.252 368 G C -0.388 174.630 174.900 0.197 0.000 0.994 368 G CA -0.018 45.080 45.100 -0.004 0.000 0.698 368 G HN 0.291 nan 8.290 nan 0.000 0.521 369 W N 1.644 122.946 121.300 0.003 0.000 1.438 369 W HA 0.605 5.265 4.660 -0.000 0.000 0.455 369 W C 1.253 177.781 176.519 0.014 0.000 0.656 369 W CA -0.676 56.667 57.345 -0.003 0.000 2.049 369 W CB -1.062 28.383 29.460 -0.026 0.000 1.683 369 W HN 0.176 nan 8.180 nan 0.000 0.228 370 S N 0.558 116.377 115.700 0.199 0.000 2.370 370 S HA -0.200 4.269 4.470 -0.000 0.000 0.226 370 S C 1.881 176.546 174.600 0.109 0.000 1.033 370 S CA 1.392 59.669 58.200 0.128 0.000 1.011 370 S CB 0.229 63.481 63.200 0.086 0.000 0.852 370 S HN 0.334 nan 8.310 nan 0.000 0.457 371 E N 0.742 120.991 120.200 0.083 0.000 2.031 371 E HA -0.098 4.251 4.350 -0.000 0.000 0.193 371 E C 2.048 178.684 176.600 0.061 0.000 0.994 371 E CA 0.948 57.381 56.400 0.054 0.000 0.800 371 E CB -0.459 29.253 29.700 0.020 0.000 0.752 371 E HN 0.364 nan 8.360 nan 0.000 0.447 372 M N 0.887 120.505 119.600 0.031 0.000 2.082 372 M HA -0.189 4.291 4.480 -0.000 0.000 0.258 372 M C 2.048 178.440 176.300 0.153 0.000 1.069 372 M CA 2.100 57.383 55.300 -0.027 0.000 1.102 372 M CB -0.585 31.847 32.600 -0.280 0.000 1.336 372 M HN 0.085 nan 8.290 nan 0.000 0.404 373 A N -0.497 122.474 122.820 0.252 0.000 1.902 373 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 373 A C 2.344 180.066 177.584 0.231 0.000 1.181 373 A CA 2.002 54.246 52.037 0.344 0.000 0.623 373 A CB -0.824 18.338 19.000 0.270 0.000 0.818 373 A HN 0.614 nan 8.150 nan 0.000 0.443 374 R N -0.399 120.193 120.500 0.154 0.000 2.096 374 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 374 R C 1.926 178.286 176.300 0.099 0.000 1.127 374 R CA 2.105 58.268 56.100 0.106 0.000 0.968 374 R CB -0.270 30.074 30.300 0.073 0.000 0.861 374 R HN 0.648 nan 8.270 nan 0.000 0.440 375 T N -3.358 111.263 114.554 0.111 0.000 3.023 375 T HA -0.018 4.332 4.350 -0.000 0.000 0.253 375 T C 1.477 176.223 174.700 0.077 0.000 1.038 375 T CA -0.248 61.892 62.100 0.067 0.000 0.962 375 T CB -0.234 68.654 68.868 0.034 0.000 1.018 375 T HN 0.298 nan 8.240 nan 0.000 0.521 376 Y N 2.430 122.775 120.300 0.074 0.000 2.097 376 Y HA -0.112 4.438 4.550 -0.000 0.000 0.282 376 Y C 2.343 178.263 175.900 0.034 0.000 1.152 376 Y CA 1.992 60.155 58.100 0.106 0.000 1.136 376 Y CB -0.172 38.473 38.460 0.308 0.000 0.975 376 Y HN 0.253 nan 8.280 nan 0.000 0.498 377 E N -1.076 119.193 120.200 0.114 0.000 2.072 377 E HA -0.160 4.189 4.350 -0.000 0.000 0.191 377 E C 2.087 178.580 176.600 -0.179 0.000 0.985 377 E CA 1.658 58.044 56.400 -0.023 0.000 0.801 377 E CB -0.146 29.596 29.700 0.069 0.000 0.750 377 E HN 0.474 nan 8.360 nan 0.000 0.452 378 T N 0.517 114.990 114.554 -0.134 0.000 2.684 378 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 378 T C 1.988 176.519 174.700 -0.281 0.000 1.036 378 T CA 1.780 63.776 62.100 -0.174 0.000 1.148 378 T CB -0.437 68.373 68.868 -0.098 0.000 0.863 378 T HN 0.174 nan 8.240 nan 0.000 0.436 379 T N 2.228 116.587 114.554 -0.326 0.000 2.708 379 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 379 T C 1.909 176.054 174.700 -0.925 0.000 1.037 379 T CA 0.864 62.656 62.100 -0.513 0.000 1.146 379 T CB -0.490 68.133 68.868 -0.407 0.000 0.865 379 T HN 0.120 nan 8.240 nan 0.000 0.435 380 L N 1.232 121.969 121.223 -0.810 0.000 2.012 380 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 380 L C 2.241 178.813 176.870 -0.497 0.000 1.073 380 L CA 1.837 56.225 54.840 -0.754 0.000 0.748 380 L CB -0.445 41.288 42.059 -0.542 0.000 0.891 380 L HN 0.095 nan 8.230 nan 0.000 0.431 381 K N -0.648 119.479 120.400 -0.454 0.000 2.097 381 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 381 K C 2.177 178.614 176.600 -0.272 0.000 1.049 381 K CA 1.550 57.532 56.287 -0.507 0.000 0.933 381 K CB -0.364 31.686 32.500 -0.751 0.000 0.717 381 K HN 0.599 nan 8.250 nan 0.000 0.442 382 S N 0.274 115.779 115.700 -0.324 0.000 2.442 382 S HA -0.158 4.312 4.470 -0.000 0.000 0.236 382 S C 1.741 176.271 174.600 -0.116 0.000 1.007 382 S CA 0.774 58.849 58.200 -0.208 0.000 0.965 382 S CB -0.398 62.676 63.200 -0.210 0.000 0.773 382 S HN 0.217 nan 8.310 nan 0.000 0.504 383 Y N 0.378 120.562 120.300 -0.193 0.000 2.373 383 Y HA 0.189 4.739 4.550 -0.000 0.000 0.293 383 Y C 0.522 176.014 175.900 -0.680 0.000 1.129 383 Y CA -0.378 57.482 58.100 -0.399 0.000 1.226 383 Y CB -0.700 37.528 38.460 -0.386 0.000 1.000 383 Y HN 0.398 nan 8.280 nan 0.000 0.549 384 Y N 0.395 120.781 120.300 0.144 0.000 2.511 384 Y HA 0.308 4.858 4.550 -0.000 0.000 0.356 384 Y C -1.772 174.229 175.900 0.168 0.000 1.002 384 Y CA -2.381 55.806 58.100 0.144 0.000 1.127 384 Y CB 0.708 39.260 38.460 0.154 0.000 1.137 384 Y HN -0.078 nan 8.280 nan 0.000 0.652 385 P HA -0.152 nan 4.420 nan 0.000 0.226 385 P C 0.616 177.802 177.300 -0.191 0.000 1.153 385 P CA 1.665 64.725 63.100 -0.066 0.000 0.777 385 P CB 0.437 31.950 31.700 -0.312 0.000 0.794 386 H N -0.900 118.233 119.070 0.106 0.000 2.586 386 H HA 0.430 4.986 4.556 -0.000 0.000 0.273 386 H C 0.935 176.232 175.328 -0.050 0.000 0.997 386 H CA -0.312 55.753 56.048 0.029 0.000 1.177 386 H CB 0.162 29.958 29.762 0.057 0.000 1.471 386 H HN 0.109 nan 8.280 nan 0.000 0.538 387 A N 1.135 123.920 122.820 -0.059 0.000 2.304 387 A HA 0.112 4.432 4.320 -0.000 0.000 0.271 387 A C 0.035 177.367 177.584 -0.421 0.000 1.091 387 A CA -0.474 51.475 52.037 -0.146 0.000 0.812 387 A CB 0.455 19.435 19.000 -0.034 0.000 1.056 387 A HN 0.112 nan 8.150 nan 0.000 0.489 388 D N 0.141 120.416 120.400 -0.207 0.000 2.435 388 D HA 0.176 4.816 4.640 -0.000 0.000 0.230 388 D C 0.949 177.166 176.300 -0.137 0.000 1.215 388 D CA 0.265 54.162 54.000 -0.171 0.000 0.947 388 D CB -0.409 40.356 40.800 -0.057 0.000 1.048 388 D HN 0.582 nan 8.370 nan 0.000 0.512 389 H N 1.310 120.385 119.070 0.007 0.000 2.387 389 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 389 H C 0.969 176.283 175.328 -0.023 0.000 1.090 389 H CA 1.214 57.253 56.048 -0.014 0.000 1.332 389 H CB 0.480 30.238 29.762 -0.008 0.000 1.386 389 H HN 0.367 nan 8.280 nan 0.000 0.516 390 D N 0.255 120.711 120.400 0.094 0.000 2.350 390 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 390 D C 1.167 177.478 176.300 0.019 0.000 0.968 390 D CA 0.927 54.957 54.000 0.049 0.000 0.894 390 D CB 0.063 40.886 40.800 0.037 0.000 0.909 390 D HN 0.439 nan 8.370 nan 0.000 0.520 391 K N -0.217 120.188 120.400 0.009 0.000 2.358 391 K HA 0.183 4.503 4.320 -0.000 0.000 0.197 391 K C 0.534 177.127 176.600 -0.011 0.000 1.025 391 K CA -0.185 56.103 56.287 0.002 0.000 1.104 391 K CB 0.957 33.463 32.500 0.009 0.000 0.855 391 K HN 0.070 nan 8.250 nan 0.000 0.531 392 L N 3.145 124.338 121.223 -0.050 0.000 2.453 392 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 392 L C 0.699 177.471 176.870 -0.164 0.000 1.182 392 L CA 0.064 54.799 54.840 -0.174 0.000 0.858 392 L CB 0.188 42.081 42.059 -0.277 0.000 1.120 392 L HN 0.295 nan 8.230 nan 0.000 0.474 393 N N 2.291 120.876 118.700 -0.191 0.000 2.545 393 N HA -0.001 4.739 4.740 -0.000 0.000 0.283 393 N C -0.403 175.000 175.510 -0.177 0.000 1.596 393 N CA -0.382 52.590 53.050 -0.130 0.000 0.862 393 N CB 0.114 38.563 38.487 -0.062 0.000 1.422 393 N HN 0.683 nan 8.380 nan 0.000 0.489 394 Y N -2.814 117.383 120.300 -0.172 0.000 2.795 394 Y HA 0.482 5.032 4.550 -0.000 0.000 0.274 394 Y C 0.872 176.804 175.900 0.053 0.000 1.035 394 Y CA -0.710 57.260 58.100 -0.216 0.000 1.252 394 Y CB -0.028 38.411 38.460 -0.034 0.000 1.399 394 Y HN -0.102 nan 8.280 nan 0.000 0.579 395 L N 0.363 121.429 121.223 -0.262 0.000 2.068 395 L HA 0.016 4.356 4.340 -0.000 0.000 0.204 395 L C 0.163 177.025 176.870 -0.014 0.000 1.076 395 L CA 1.095 55.833 54.840 -0.170 0.000 0.753 395 L CB -0.504 41.356 42.059 -0.331 0.000 0.910 395 L HN 0.307 nan 8.230 nan 0.000 0.439 396 H N -0.310 118.820 119.070 0.099 0.000 2.911 396 H HA 0.234 4.790 4.556 -0.000 0.000 0.273 396 H C 0.946 176.422 175.328 0.247 0.000 1.157 396 H CA 0.184 56.330 56.048 0.162 0.000 1.402 396 H CB 1.134 30.977 29.762 0.134 0.000 1.463 396 H HN 0.141 nan 8.280 nan 0.000 0.475 397 A N 4.239 127.269 122.820 0.350 0.000 1.855 397 A HA -0.003 4.316 4.320 -0.000 0.000 0.215 397 A C -0.030 177.864 177.584 0.517 0.000 1.191 397 A CA 1.358 53.658 52.037 0.438 0.000 0.613 397 A CB -0.234 18.916 19.000 0.250 0.000 0.829 397 A HN 0.772 nan 8.150 nan 0.000 0.442 398 Y N -4.500 116.019 120.300 0.365 0.000 2.677 398 Y HA 0.708 5.258 4.550 -0.000 0.000 0.334 398 Y C -1.148 175.034 175.900 0.470 0.000 1.196 398 Y CA -1.809 56.501 58.100 0.350 0.000 1.059 398 Y CB 0.633 39.251 38.460 0.263 0.000 1.315 398 Y HN -0.039 nan 8.280 nan 0.000 0.455 399 I N 2.645 123.562 120.570 0.580 0.000 2.436 399 I HA 0.555 4.725 4.170 -0.000 0.000 0.289 399 I C -0.466 175.981 176.117 0.549 0.000 1.010 399 I CA -0.746 60.858 61.300 0.506 0.000 1.098 399 I CB 2.251 40.406 38.000 0.258 0.000 1.266 399 I HN 0.776 nan 8.210 nan 0.000 0.434 400 S N 5.550 121.560 115.700 0.517 0.000 2.593 400 S HA 0.753 5.223 4.470 -0.000 0.000 0.297 400 S C -0.909 173.903 174.600 0.354 0.000 1.112 400 S CA -0.565 57.743 58.200 0.180 0.000 1.043 400 S CB 2.060 65.204 63.200 -0.095 0.000 1.054 400 S HN 0.449 nan 8.310 nan 0.000 0.516 401 F N 1.641 121.670 119.950 0.132 0.000 2.574 401 F HA 0.649 5.176 4.527 -0.000 0.000 0.313 401 F C -0.496 175.508 175.800 0.340 0.000 1.130 401 F CA -0.063 58.089 58.000 0.254 0.000 0.936 401 F CB 1.938 41.093 39.000 0.258 0.000 1.219 401 F HN 1.021 nan 8.300 nan 0.000 0.445 402 S N 4.371 119.875 115.700 -0.325 0.000 2.661 402 S HA 0.747 5.217 4.470 -0.000 0.000 0.285 402 S C -1.953 172.524 174.600 -0.204 0.000 1.138 402 S CA -0.701 57.459 58.200 -0.065 0.000 0.855 402 S CB 2.293 65.516 63.200 0.039 0.000 1.136 402 S HN 0.808 nan 8.310 nan 0.000 0.484 403 Y N 0.226 120.580 120.300 0.090 0.000 2.362 403 Y HA 0.724 5.274 4.550 -0.000 0.000 0.326 403 Y C -0.700 175.322 175.900 0.204 0.000 1.083 403 Y CA -0.450 57.749 58.100 0.165 0.000 1.073 403 Y CB 1.600 40.282 38.460 0.369 0.000 1.211 403 Y HN 1.078 nan 8.280 nan 0.000 0.433 404 R N 3.859 124.246 120.500 -0.187 0.000 2.643 404 R HA 0.305 4.645 4.340 -0.000 0.000 0.269 404 R C -1.392 174.777 176.300 -0.217 0.000 1.037 404 R CA -0.403 55.624 56.100 -0.122 0.000 0.894 404 R CB 1.213 31.527 30.300 0.022 0.000 1.238 404 R HN 0.829 nan 8.270 nan 0.000 0.459 405 D N 3.670 123.977 120.400 -0.154 0.000 2.697 405 D HA -0.216 4.424 4.640 -0.000 0.000 0.235 405 D C -0.457 175.739 176.300 -0.173 0.000 1.167 405 D CA 1.435 55.371 54.000 -0.106 0.000 0.656 405 D CB -0.461 40.316 40.800 -0.039 0.000 1.025 405 D HN 0.776 nan 8.370 nan 0.000 0.419 406 R N -2.417 117.908 120.500 -0.292 0.000 3.863 406 R HA -0.195 4.145 4.340 -0.000 0.000 0.313 406 R C -0.404 175.730 176.300 -0.277 0.000 1.202 406 R CA 1.470 57.449 56.100 -0.203 0.000 0.852 406 R CB -2.042 28.272 30.300 0.023 0.000 1.292 406 R HN 0.267 nan 8.270 nan 0.000 0.519 407 T N 1.210 115.411 114.554 -0.588 0.000 2.840 407 T HA 0.368 4.718 4.350 -0.000 0.000 0.287 407 T C -2.628 171.789 174.700 -0.471 0.000 0.991 407 T CA -1.398 60.461 62.100 -0.403 0.000 0.964 407 T CB 2.352 70.956 68.868 -0.439 0.000 0.954 407 T HN -0.129 nan 8.240 nan 0.000 0.438 408 P HA 0.339 nan 4.420 nan 0.000 0.287 408 P C -1.330 175.970 177.300 -0.000 0.000 1.281 408 P CA -0.547 62.731 63.100 0.297 0.000 0.781 408 P CB 0.214 32.349 31.700 0.726 0.000 0.903 409 Y N 3.084 123.435 120.300 0.085 0.000 2.417 409 Y HA 0.453 5.003 4.550 -0.000 0.000 0.336 409 Y C 0.389 176.406 175.900 0.195 0.000 0.961 409 Y CA -0.564 57.611 58.100 0.124 0.000 1.215 409 Y CB 1.299 39.767 38.460 0.013 0.000 1.120 409 Y HN 0.252 nan 8.280 nan 0.000 0.499 410 L N 3.080 124.620 121.223 0.529 0.000 2.333 410 L HA 0.694 5.034 4.340 -0.000 0.000 0.280 410 L C -0.677 176.427 176.870 0.391 0.000 1.004 410 L CA -0.023 55.138 54.840 0.536 0.000 0.820 410 L CB 0.981 43.445 42.059 0.676 0.000 1.247 410 L HN 0.496 nan 8.230 nan 0.000 0.416 411 S N 3.380 119.276 115.700 0.327 0.000 2.536 411 S HA 0.713 5.183 4.470 -0.000 0.000 0.298 411 S C -0.841 173.867 174.600 0.179 0.000 1.083 411 S CA -0.650 57.653 58.200 0.170 0.000 0.995 411 S CB 2.074 65.299 63.200 0.042 0.000 1.058 411 S HN 0.537 nan 8.310 nan 0.000 0.488 412 V N 0.636 120.569 119.914 0.030 0.000 2.628 412 V HA 0.713 4.833 4.120 -0.000 0.000 0.306 412 V C -1.811 174.175 176.094 -0.181 0.000 1.045 412 V CA -0.743 61.642 62.300 0.142 0.000 0.905 412 V CB 0.801 32.829 31.823 0.343 0.000 0.997 412 V HN 0.850 nan 8.190 nan 0.000 0.436 413 Y N 4.379 124.619 120.300 -0.099 0.000 2.328 413 Y HA 0.783 5.333 4.550 -0.000 0.000 0.336 413 Y C -0.147 175.647 175.900 -0.178 0.000 0.960 413 Y CA -0.739 57.192 58.100 -0.282 0.000 1.134 413 Y CB 1.972 39.907 38.460 -0.875 0.000 1.166 413 Y HN 0.565 nan 8.280 nan 0.000 0.464 414 L N 2.709 123.927 121.223 -0.009 0.000 2.381 414 L HA 0.425 4.765 4.340 -0.000 0.000 0.268 414 L C -0.442 176.475 176.870 0.077 0.000 0.997 414 L CA -1.410 53.447 54.840 0.028 0.000 0.818 414 L CB 2.018 44.085 42.059 0.014 0.000 1.310 414 L HN 0.513 nan 8.230 nan 0.000 0.416 415 Q N 1.412 121.310 119.800 0.164 0.000 2.308 415 Q HA 0.016 4.356 4.340 -0.000 0.000 0.313 415 Q C -0.704 175.476 176.000 0.300 0.000 1.075 415 Q CA 0.747 56.705 55.803 0.259 0.000 0.995 415 Q CB 0.575 29.492 28.738 0.298 0.000 1.107 415 Q HN 0.554 nan 8.270 nan 0.000 0.380 416 S N 5.197 121.079 115.700 0.303 0.000 2.112 416 S HA 0.520 4.990 4.470 -0.000 0.000 0.151 416 S C -1.567 173.339 174.600 0.511 0.000 1.723 416 S CA -0.455 57.925 58.200 0.299 0.000 1.263 416 S CB -0.125 63.146 63.200 0.119 0.000 1.194 416 S HN 0.527 nan 8.310 nan 0.000 0.419 417 F N 1.659 121.745 119.950 0.226 0.000 2.651 417 F HA 0.297 4.823 4.527 -0.000 0.000 0.327 417 F C -0.693 175.103 175.800 -0.006 0.000 1.133 417 F CA -0.739 57.306 58.000 0.074 0.000 1.076 417 F CB 0.946 39.964 39.000 0.030 0.000 1.315 417 F HN 0.438 nan 8.300 nan 0.000 0.499 418 E N 2.261 121.960 120.200 -0.835 0.000 2.257 418 E HA -0.153 4.197 4.350 -0.000 0.000 0.217 418 E C -0.424 176.051 176.600 -0.208 0.000 1.248 418 E CA 0.828 56.676 56.400 -0.920 0.000 0.691 418 E CB -1.122 27.873 29.700 -1.175 0.000 1.185 418 E HN 0.663 nan 8.360 nan 0.000 0.377 419 T N -2.774 111.624 114.554 -0.260 0.000 2.912 419 T HA 0.696 5.046 4.350 -0.000 0.000 0.280 419 T C 1.176 175.775 174.700 -0.169 0.000 0.989 419 T CA -0.057 61.818 62.100 -0.376 0.000 0.995 419 T CB 2.070 70.632 68.868 -0.511 0.000 1.077 419 T HN 0.753 nan 8.240 nan 0.000 0.531 420 G N 1.329 110.010 108.800 -0.197 0.000 2.596 420 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.295 420 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.295 420 G C 0.115 175.076 174.900 0.102 0.000 1.240 420 G CA 0.420 45.469 45.100 -0.084 0.000 0.985 420 G HN 0.838 nan 8.290 nan 0.000 0.555 421 D N 0.809 121.293 120.400 0.141 0.000 2.400 421 D HA 0.062 4.702 4.640 -0.000 0.000 0.243 421 D C 0.722 177.119 176.300 0.162 0.000 1.184 421 D CA -0.151 53.992 54.000 0.239 0.000 0.853 421 D CB -0.382 40.525 40.800 0.178 0.000 0.944 421 D HN 0.401 nan 8.370 nan 0.000 0.501 422 W N 1.769 123.077 121.300 0.014 0.000 2.385 422 W HA 0.158 4.818 4.660 -0.000 0.000 0.336 422 W C 0.558 177.046 176.519 -0.052 0.000 1.351 422 W CA 0.551 57.868 57.345 -0.047 0.000 1.295 422 W CB 0.149 29.566 29.460 -0.072 0.000 1.239 422 W HN 0.185 nan 8.180 nan 0.000 0.565 423 A N 0.000 122.317 122.820 -0.839 0.000 2.254 423 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 423 A CA 0.000 51.662 52.037 -0.626 0.000 0.836 423 A CB 0.000 18.671 19.000 -0.549 0.000 0.831 423 A HN 0.000 nan 8.150 nan 0.000 0.486