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 3ibd_1_A DATA FIRST_RESID 28 DATA SEQUENCE GKLPPGPRPL PLLGNLLQMD RRGLLKSFLR FREKYGDVFT VHLGPRPVVM DATA SEQUENCE LCGVEAIREA LVDKAEAFSG RGKIAMVDPF FRGYGVIFAN GNRWKVLRRF DATA SEQUENCE SVTTMRDFGM GKRSVEERIQ EEAQCLIEEL RKSKGALMDP TFLFQSITAN DATA SEQUENCE IICSIVFGKR FHYQDQEFLK MLNLFYQTFS LISSVFGQLF ELFSGFLKHF DATA SEQUENCE PGAHRQVYKN LQEINAYIGH SVEKHRETLD PSAPRDLIDT YLLHMEKEKS DATA SEQUENCE NAHSEFSHQN LNLNTLSLFF AGTETTSTTL RYGFLLMLKY PHVAERVYRE DATA SEQUENCE IEQVIGPHRP PELHDRAKMP YTEAVIYEIQ RFSDLLPMGV PHIVTQHTSF DATA SEQUENCE RGYIIPKDTE VFLILSTALH DPHYFEKPDA FNPDHFLDAN GALKKTEAFI DATA SEQUENCE PFSLGKRICL GEGIARAELF LFFTTILQNF SMASPVAPED IDLTPQECGV DATA SEQUENCE GKIPPTYQIR FLPRH 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.970 3.960 0.017 0.000 0.244 28 G C 0.000 174.933 174.900 0.055 0.000 0.946 28 G CA 0.000 45.102 45.100 0.003 0.000 0.502 29 K N -1.839 118.637 120.400 0.126 0.000 2.366 29 K HA 0.622 4.952 4.320 0.017 0.000 0.312 29 K C -0.383 176.353 176.600 0.227 0.000 0.967 29 K CA -0.576 55.795 56.287 0.140 0.000 0.868 29 K CB 0.215 32.754 32.500 0.065 0.000 3.506 29 K HN 0.233 nan 8.250 nan 0.000 1.211 30 L N 3.835 125.131 121.223 0.121 0.000 2.426 30 L HA 0.288 4.638 4.340 0.017 0.000 0.271 30 L C -2.097 174.698 176.870 -0.125 0.000 1.169 30 L CA -1.257 53.594 54.840 0.017 0.000 0.836 30 L CB 0.427 42.471 42.059 -0.025 0.000 1.112 30 L HN 0.444 nan 8.230 nan 0.000 0.465 31 P HA 0.123 nan 4.420 nan 0.000 0.269 31 P C -2.371 174.696 177.300 -0.389 0.000 1.209 31 P CA -0.780 61.832 63.100 -0.814 0.000 0.776 31 P CB -0.059 31.268 31.700 -0.622 0.000 0.876 32 P HA 0.352 nan 4.420 nan 0.000 0.274 32 P C -0.142 176.956 177.300 -0.337 0.000 1.256 32 P CA 0.169 63.185 63.100 -0.140 0.000 0.795 32 P CB 0.803 32.548 31.700 0.075 0.000 1.038 33 G N -0.483 107.958 108.800 -0.599 0.000 2.322 33 G HA2 0.388 4.358 3.960 0.017 0.000 0.295 33 G HA3 0.388 4.358 3.960 0.017 0.000 0.295 33 G C -3.292 171.059 174.900 -0.914 0.000 1.369 33 G CA -0.847 43.566 45.100 -1.144 0.000 0.821 33 G HN 0.412 nan 8.290 nan 0.000 0.536 34 P HA 0.449 nan 4.420 nan 0.000 0.269 34 P C 0.125 177.296 177.300 -0.216 0.000 1.209 34 P CA -0.072 62.823 63.100 -0.342 0.000 0.776 34 P CB 0.404 31.839 31.700 -0.442 0.000 0.876 35 R N 4.131 124.570 120.500 -0.101 0.000 2.370 35 R HA 0.324 4.673 4.340 0.017 0.000 0.309 35 R C -2.077 174.146 176.300 -0.127 0.000 1.059 35 R CA -1.294 54.742 56.100 -0.107 0.000 0.981 35 R CB -1.357 28.913 30.300 -0.049 0.000 0.972 35 R HN 0.522 nan 8.270 nan 0.000 0.437 36 P HA 0.413 nan 4.420 nan 0.000 0.282 36 P C -0.715 176.504 177.300 -0.135 0.000 1.259 36 P CA -0.616 62.353 63.100 -0.217 0.000 0.826 36 P CB 0.986 32.369 31.700 -0.529 0.000 1.064 37 L N 2.922 124.111 121.223 -0.056 0.000 2.357 37 L HA 0.268 4.617 4.340 0.017 0.000 0.273 37 L C -1.115 175.747 176.870 -0.013 0.000 1.080 37 L CA -1.971 52.856 54.840 -0.021 0.000 0.803 37 L CB 0.582 42.653 42.059 0.021 0.000 1.174 37 L HN 0.238 nan 8.230 nan 0.000 0.443 38 P HA -0.231 nan 4.420 nan 0.000 0.217 38 P C 1.425 178.756 177.300 0.053 0.000 1.162 38 P CA 1.874 64.978 63.100 0.005 0.000 0.901 38 P CB 0.176 31.878 31.700 0.004 0.000 0.793 39 L N -2.250 119.019 121.223 0.077 0.000 2.408 39 L HA 0.224 4.574 4.340 0.017 0.000 0.215 39 L C 2.332 179.365 176.870 0.272 0.000 1.081 39 L CA 0.972 55.900 54.840 0.146 0.000 0.840 39 L CB -1.800 40.317 42.059 0.096 0.000 1.002 39 L HN -0.066 nan 8.230 nan 0.000 0.468 40 L N -0.432 120.926 121.223 0.225 0.000 2.509 40 L HA 0.405 4.755 4.340 0.017 0.000 0.222 40 L C 1.996 179.050 176.870 0.307 0.000 1.123 40 L CA 0.505 55.549 54.840 0.340 0.000 0.856 40 L CB -0.504 41.674 42.059 0.199 0.000 0.985 40 L HN 0.633 nan 8.230 nan 0.000 0.456 41 G N 1.561 110.466 108.800 0.174 0.000 2.651 41 G HA2 -0.436 3.534 3.960 0.017 0.000 0.315 41 G HA3 -0.436 3.534 3.960 0.017 0.000 0.315 41 G C 0.362 175.315 174.900 0.088 0.000 1.258 41 G CA 0.872 46.035 45.100 0.105 0.000 1.002 41 G HN 0.500 nan 8.290 nan 0.000 0.551 42 N N 0.702 119.472 118.700 0.116 0.000 2.279 42 N HA 0.379 5.129 4.740 0.017 0.000 0.226 42 N C 1.689 177.325 175.510 0.210 0.000 1.126 42 N CA 0.178 53.306 53.050 0.130 0.000 0.846 42 N CB 0.494 39.032 38.487 0.085 0.000 1.050 42 N HN 0.458 nan 8.380 nan 0.000 0.502 43 L N 0.538 121.888 121.223 0.211 0.000 2.013 43 L HA -0.149 4.201 4.340 0.017 0.000 0.212 43 L C 1.359 178.345 176.870 0.193 0.000 1.073 43 L CA 1.846 56.826 54.840 0.233 0.000 0.753 43 L CB -0.258 42.008 42.059 0.344 0.000 0.890 43 L HN 0.295 nan 8.230 nan 0.000 0.432 44 L N -1.283 120.040 121.223 0.167 0.000 2.465 44 L HA -0.113 4.237 4.340 0.017 0.000 0.224 44 L C 2.066 179.023 176.870 0.145 0.000 1.145 44 L CA 0.532 55.451 54.840 0.131 0.000 0.834 44 L CB -0.450 41.669 42.059 0.101 0.000 0.944 44 L HN 0.368 nan 8.230 nan 0.000 0.451 45 Q N -0.918 119.007 119.800 0.209 0.000 2.360 45 Q HA 0.149 4.498 4.340 0.017 0.000 0.202 45 Q C 0.364 176.526 176.000 0.270 0.000 0.915 45 Q CA 0.093 56.066 55.803 0.284 0.000 0.943 45 Q CB 0.372 29.358 28.738 0.413 0.000 1.064 45 Q HN 0.297 nan 8.270 nan 0.000 0.511 46 M N 0.725 120.445 119.600 0.199 0.000 2.228 46 M HA 0.090 4.580 4.480 0.017 0.000 0.326 46 M C 0.107 176.387 176.300 -0.033 0.000 1.122 46 M CA -0.144 55.197 55.300 0.069 0.000 1.161 46 M CB 0.326 32.981 32.600 0.092 0.000 1.437 46 M HN -0.014 nan 8.290 nan 0.000 0.465 47 D N 1.738 122.060 120.400 -0.130 0.000 2.312 47 D HA 0.090 4.740 4.640 0.017 0.000 0.252 47 D C 1.081 177.341 176.300 -0.066 0.000 1.150 47 D CA -0.132 53.804 54.000 -0.107 0.000 0.870 47 D CB 0.936 41.643 40.800 -0.155 0.000 1.153 47 D HN 0.556 nan 8.370 nan 0.000 0.457 48 R N 3.603 124.084 120.500 -0.031 0.000 2.241 48 R HA -0.112 4.238 4.340 0.017 0.000 0.224 48 R C 1.568 177.858 176.300 -0.015 0.000 1.101 48 R CA 0.872 56.968 56.100 -0.008 0.000 0.995 48 R CB -0.255 30.050 30.300 0.008 0.000 0.870 48 R HN 0.358 nan 8.270 nan 0.000 0.463 49 R N 0.500 120.979 120.500 -0.035 0.000 2.299 49 R HA 0.239 4.588 4.340 0.017 0.000 0.197 49 R C 0.209 176.479 176.300 -0.050 0.000 0.971 49 R CA 0.569 56.649 56.100 -0.033 0.000 1.030 49 R CB 0.398 30.677 30.300 -0.035 0.000 0.932 49 R HN 0.274 nan 8.270 nan 0.000 0.477 50 G N -0.163 108.589 108.800 -0.081 0.000 2.361 50 G HA2 0.010 3.980 3.960 0.017 0.000 0.305 50 G HA3 0.010 3.980 3.960 0.017 0.000 0.305 50 G C -0.054 174.714 174.900 -0.219 0.000 1.367 50 G CA -0.661 44.374 45.100 -0.109 0.000 0.951 50 G HN 0.000 nan 8.290 nan 0.000 0.615 51 L N -0.128 120.933 121.223 -0.270 0.000 2.017 51 L HA -0.031 4.319 4.340 0.017 0.000 0.208 51 L C 2.954 179.300 176.870 -0.873 0.000 1.073 51 L CA 1.704 56.182 54.840 -0.604 0.000 0.745 51 L CB -0.494 41.324 42.059 -0.401 0.000 0.894 51 L HN 0.526 nan 8.230 nan 0.000 0.432 52 L N 0.005 120.984 121.223 -0.407 0.000 2.017 52 L HA -0.208 4.142 4.340 0.017 0.000 0.208 52 L C 2.630 179.389 176.870 -0.184 0.000 1.073 52 L CA 1.849 56.561 54.840 -0.213 0.000 0.745 52 L CB -0.626 41.389 42.059 -0.072 0.000 0.894 52 L HN 0.077 nan 8.230 nan 0.000 0.432 53 K N -0.599 119.685 120.400 -0.193 0.000 2.057 53 K HA -0.119 4.211 4.320 0.017 0.000 0.207 53 K C 2.133 178.599 176.600 -0.224 0.000 1.049 53 K CA 1.551 57.741 56.287 -0.162 0.000 0.931 53 K CB -0.252 32.164 32.500 -0.139 0.000 0.714 53 K HN 0.431 nan 8.250 nan 0.000 0.440 54 S N 0.763 116.260 115.700 -0.338 0.000 2.359 54 S HA -0.134 4.346 4.470 0.017 0.000 0.224 54 S C 1.789 176.141 174.600 -0.412 0.000 1.035 54 S CA 1.383 59.303 58.200 -0.466 0.000 1.018 54 S CB -0.317 62.622 63.200 -0.434 0.000 0.876 54 S HN 0.189 nan 8.310 nan 0.000 0.448 55 F N 1.396 121.308 119.950 -0.063 0.000 2.206 55 F HA 0.159 4.695 4.527 0.016 0.000 0.298 55 F C 1.980 177.880 175.800 0.166 0.000 1.090 55 F CA -0.165 57.970 58.000 0.224 0.000 1.323 55 F CB -1.197 38.025 39.000 0.370 0.000 1.028 55 F HN 0.129 nan 8.300 nan 0.000 0.492 56 L N -0.434 120.914 121.223 0.208 0.000 2.141 56 L HA -0.164 4.186 4.340 0.017 0.000 0.209 56 L C 2.648 179.528 176.870 0.016 0.000 1.094 56 L CA 1.117 56.029 54.840 0.119 0.000 0.763 56 L CB -0.521 41.560 42.059 0.037 0.000 0.908 56 L HN 0.082 nan 8.230 nan 0.000 0.437 57 R N -0.050 120.387 120.500 -0.105 0.000 2.073 57 R HA -0.136 4.214 4.340 0.017 0.000 0.229 57 R C 2.358 178.606 176.300 -0.086 0.000 1.120 57 R CA 1.282 57.293 56.100 -0.149 0.000 0.967 57 R CB -0.156 29.987 30.300 -0.262 0.000 0.862 57 R HN 0.089 nan 8.270 nan 0.000 0.436 58 F N 1.166 121.082 119.950 -0.057 0.000 2.161 58 F HA -0.151 4.386 4.527 0.017 0.000 0.300 58 F C 2.533 178.032 175.800 -0.502 0.000 1.089 58 F CA 1.254 59.105 58.000 -0.247 0.000 1.282 58 F CB -0.830 37.888 39.000 -0.470 0.000 1.010 58 F HN 0.073 nan 8.300 nan 0.000 0.485 59 R N 0.813 121.170 120.500 -0.238 0.000 2.096 59 R HA -0.165 4.185 4.340 0.017 0.000 0.235 59 R C 2.315 178.627 176.300 0.021 0.000 1.127 59 R CA 1.756 57.843 56.100 -0.021 0.000 0.968 59 R CB -0.362 30.104 30.300 0.277 0.000 0.861 59 R HN 0.379 nan 8.270 nan 0.000 0.440 60 E N 1.370 121.568 120.200 -0.004 0.000 2.153 60 E HA -0.224 4.136 4.350 0.017 0.000 0.194 60 E C 1.775 178.333 176.600 -0.071 0.000 0.988 60 E CA 1.634 58.024 56.400 -0.017 0.000 0.811 60 E CB -0.354 29.331 29.700 -0.025 0.000 0.746 60 E HN 0.517 nan 8.360 nan 0.000 0.466 61 K N -1.985 118.325 120.400 -0.149 0.000 2.166 61 K HA 0.064 4.394 4.320 0.017 0.000 0.201 61 K C 1.460 177.782 176.600 -0.463 0.000 1.052 61 K CA 0.882 56.952 56.287 -0.361 0.000 0.969 61 K CB 0.037 32.200 32.500 -0.560 0.000 0.761 61 K HN 0.491 nan 8.250 nan 0.000 0.459 62 Y N -0.285 119.965 120.300 -0.083 0.000 2.444 62 Y HA 0.261 4.821 4.550 0.016 0.000 0.249 62 Y C 0.945 176.884 175.900 0.065 0.000 1.134 62 Y CA 0.087 58.161 58.100 -0.044 0.000 1.261 62 Y CB 1.409 39.782 38.460 -0.144 0.000 1.143 62 Y HN 0.306 nan 8.280 nan 0.000 0.523 63 G N 0.629 109.541 108.800 0.188 0.000 2.568 63 G HA2 -0.272 3.698 3.960 0.017 0.000 0.222 63 G HA3 -0.272 3.698 3.960 0.017 0.000 0.222 63 G C -0.116 174.999 174.900 0.358 0.000 1.321 63 G CA 0.008 45.245 45.100 0.228 0.000 0.893 63 G HN 0.167 nan 8.290 nan 0.000 0.569 64 D N -0.441 120.142 120.400 0.305 0.000 2.347 64 D HA 0.252 4.902 4.640 0.017 0.000 0.213 64 D C 0.877 177.335 176.300 0.263 0.000 0.985 64 D CA 1.327 55.504 54.000 0.295 0.000 0.879 64 D CB 0.475 41.403 40.800 0.214 0.000 0.919 64 D HN 0.465 nan 8.370 nan 0.000 0.526 65 V N 1.678 121.764 119.914 0.287 0.000 2.524 65 V HA 0.448 4.578 4.120 0.017 0.000 0.297 65 V C -0.675 175.471 176.094 0.087 0.000 1.035 65 V CA -0.992 61.379 62.300 0.118 0.000 0.867 65 V CB 1.257 33.243 31.823 0.271 0.000 1.004 65 V HN 0.030 nan 8.190 nan 0.000 0.426 66 F N 1.184 121.055 119.950 -0.132 0.000 2.686 66 F HA 0.858 5.395 4.527 0.017 0.000 0.311 66 F C -0.547 175.067 175.800 -0.310 0.000 1.128 66 F CA -0.790 57.070 58.000 -0.234 0.000 0.946 66 F CB 1.690 40.597 39.000 -0.156 0.000 1.336 66 F HN 0.206 nan 8.300 nan 0.000 0.457 67 T N 1.976 116.438 114.554 -0.153 0.000 2.823 67 T HA 0.714 5.074 4.350 0.017 0.000 0.279 67 T C -1.034 173.527 174.700 -0.233 0.000 0.998 67 T CA -0.626 61.307 62.100 -0.277 0.000 0.994 67 T CB 1.757 70.456 68.868 -0.282 0.000 0.960 67 T HN 0.599 nan 8.240 nan 0.000 0.448 68 V N 3.289 123.015 119.914 -0.312 0.000 2.709 68 V HA 0.352 4.482 4.120 0.017 0.000 0.308 68 V C -0.599 175.334 176.094 -0.268 0.000 1.062 68 V CA -1.000 61.166 62.300 -0.224 0.000 0.901 68 V CB 1.890 33.638 31.823 -0.125 0.000 1.003 68 V HN 0.887 nan 8.190 nan 0.000 0.425 69 H N 5.134 124.106 119.070 -0.163 0.000 2.594 69 H HA 0.422 4.988 4.556 0.017 0.000 0.304 69 H C -0.746 174.526 175.328 -0.094 0.000 1.068 69 H CA -0.345 55.626 56.048 -0.128 0.000 1.308 69 H CB 1.484 31.189 29.762 -0.096 0.000 1.409 69 H HN 0.395 nan 8.280 nan 0.000 0.460 70 L N 3.912 125.086 121.223 -0.082 0.000 2.270 70 L HA 0.210 4.560 4.340 0.017 0.000 0.286 70 L C 1.292 178.035 176.870 -0.212 0.000 1.059 70 L CA -0.146 54.615 54.840 -0.132 0.000 0.839 70 L CB 0.583 42.563 42.059 -0.132 0.000 1.221 70 L HN 0.949 nan 8.230 nan 0.000 0.431 71 G N 5.283 113.904 108.800 -0.297 0.000 2.611 71 G HA2 -0.293 3.677 3.960 0.017 0.000 0.301 71 G HA3 -0.293 3.677 3.960 0.017 0.000 0.301 71 G C -1.816 173.106 174.900 0.038 0.000 1.233 71 G CA 0.129 45.117 45.100 -0.186 0.000 0.993 71 G HN 0.563 nan 8.290 nan 0.000 0.553 72 P HA 0.195 nan 4.420 nan 0.000 0.249 72 P C 0.589 177.918 177.300 0.048 0.000 1.229 72 P CA 0.516 63.664 63.100 0.080 0.000 0.788 72 P CB 0.254 32.002 31.700 0.080 0.000 1.072 73 R N 1.382 121.869 120.500 -0.022 0.000 2.295 73 R HA 0.420 4.770 4.340 0.017 0.000 0.324 73 R C -2.657 173.500 176.300 -0.239 0.000 0.968 73 R CA -2.427 53.610 56.100 -0.104 0.000 0.837 73 R CB 1.024 31.248 30.300 -0.127 0.000 1.133 73 R HN -0.094 nan 8.270 nan 0.000 0.450 74 P HA 0.039 nan 4.420 nan 0.000 0.281 74 P C -1.183 175.837 177.300 -0.467 0.000 1.252 74 P CA -0.374 62.327 63.100 -0.666 0.000 0.778 74 P CB 1.355 32.691 31.700 -0.607 0.000 0.895 75 V N 3.175 122.775 119.914 -0.523 0.000 2.709 75 V HA 0.520 4.650 4.120 0.017 0.000 0.308 75 V C -0.863 174.895 176.094 -0.560 0.000 1.062 75 V CA -0.964 61.011 62.300 -0.541 0.000 0.901 75 V CB 2.262 33.640 31.823 -0.742 0.000 1.003 75 V HN 0.153 nan 8.190 nan 0.000 0.425 76 V N 7.209 126.841 119.914 -0.471 0.000 2.465 76 V HA 0.487 4.617 4.120 0.017 0.000 0.279 76 V C 0.304 176.075 176.094 -0.537 0.000 1.045 76 V CA -0.423 61.601 62.300 -0.460 0.000 0.938 76 V CB 1.387 33.024 31.823 -0.309 0.000 0.986 76 V HN 0.883 nan 8.190 nan 0.000 0.467 77 M N 6.484 125.627 119.600 -0.762 0.000 2.180 77 M HA 0.544 5.034 4.480 0.017 0.000 0.350 77 M C -0.788 175.154 176.300 -0.597 0.000 1.125 77 M CA -0.312 54.513 55.300 -0.792 0.000 1.031 77 M CB 1.134 32.880 32.600 -1.424 0.000 1.623 77 M HN 0.371 nan 8.290 nan 0.000 0.451 78 L N 3.133 124.159 121.223 -0.328 0.000 2.322 78 L HA 0.662 5.012 4.340 0.017 0.000 0.281 78 L C -0.800 176.019 176.870 -0.085 0.000 1.014 78 L CA -0.583 54.148 54.840 -0.183 0.000 0.815 78 L CB 1.903 43.830 42.059 -0.220 0.000 1.247 78 L HN 0.710 nan 8.230 nan 0.000 0.421 79 C N 1.727 121.038 119.300 0.020 0.000 2.707 79 C HA 0.955 5.425 4.460 0.017 0.000 0.313 79 C C 0.531 175.585 174.990 0.107 0.000 1.209 79 C CA -0.659 58.411 59.018 0.087 0.000 1.635 79 C CB 1.291 29.141 27.740 0.184 0.000 2.206 79 C HN 1.095 nan 8.230 nan 0.000 0.485 80 G N 1.305 110.166 108.800 0.102 0.000 2.719 80 G HA2 0.012 3.982 3.960 0.017 0.000 0.686 80 G HA3 0.012 3.982 3.960 0.017 0.000 0.686 80 G C 0.032 174.983 174.900 0.084 0.000 1.201 80 G CA -0.304 44.867 45.100 0.118 0.000 0.768 80 G HN 0.951 nan 8.290 nan 0.000 0.629 81 V N 1.416 121.384 119.914 0.091 0.000 2.287 81 V HA -0.191 3.939 4.120 0.017 0.000 0.248 81 V C 2.716 178.835 176.094 0.041 0.000 1.053 81 V CA 2.796 65.114 62.300 0.029 0.000 1.027 81 V CB -0.501 31.308 31.823 -0.023 0.000 0.646 81 V HN 0.797 nan 8.190 nan 0.000 0.447 82 E N 0.350 120.601 120.200 0.086 0.000 2.047 82 E HA -0.166 4.194 4.350 0.017 0.000 0.191 82 E C 2.384 179.020 176.600 0.061 0.000 0.987 82 E CA 1.517 57.956 56.400 0.064 0.000 0.799 82 E CB -0.470 29.269 29.700 0.065 0.000 0.752 82 E HN 0.584 nan 8.360 nan 0.000 0.449 83 A N 1.192 124.068 122.820 0.094 0.000 1.930 83 A HA -0.118 4.212 4.320 0.017 0.000 0.217 83 A C 2.300 179.950 177.584 0.110 0.000 1.175 83 A CA 0.955 53.099 52.037 0.177 0.000 0.627 83 A CB -0.584 18.547 19.000 0.219 0.000 0.815 83 A HN 0.137 nan 8.150 nan 0.000 0.443 84 I N -0.969 119.598 120.570 -0.005 0.000 2.252 84 I HA -0.237 3.943 4.170 0.017 0.000 0.245 84 I C 2.772 178.812 176.117 -0.130 0.000 1.102 84 I CA 1.189 62.416 61.300 -0.121 0.000 1.385 84 I CB -0.295 37.640 38.000 -0.108 0.000 1.064 84 I HN 0.262 nan 8.210 nan 0.000 0.414 85 R N 0.608 121.072 120.500 -0.059 0.000 2.081 85 R HA -0.160 4.189 4.340 0.017 0.000 0.235 85 R C 2.189 178.472 176.300 -0.029 0.000 1.131 85 R CA 1.372 57.444 56.100 -0.046 0.000 0.960 85 R CB -0.326 29.963 30.300 -0.019 0.000 0.856 85 R HN 0.434 nan 8.270 nan 0.000 0.436 86 E N 0.424 120.634 120.200 0.017 0.000 2.070 86 E HA -0.244 4.116 4.350 0.017 0.000 0.197 86 E C 2.011 178.665 176.600 0.089 0.000 1.004 86 E CA 1.480 57.927 56.400 0.077 0.000 0.805 86 E CB -0.119 29.649 29.700 0.114 0.000 0.744 86 E HN 0.372 nan 8.360 nan 0.000 0.451 87 A N 1.049 123.802 122.820 -0.111 0.000 1.841 87 A HA -0.126 4.204 4.320 0.017 0.000 0.214 87 A C 2.191 179.510 177.584 -0.442 0.000 1.195 87 A CA 1.037 52.623 52.037 -0.751 0.000 0.611 87 A CB -0.647 17.270 19.000 -1.806 0.000 0.835 87 A HN 0.123 nan 8.150 nan 0.000 0.443 88 L N -0.161 120.858 121.223 -0.340 0.000 2.156 88 L HA -0.091 4.259 4.340 0.017 0.000 0.208 88 L C 2.491 179.348 176.870 -0.022 0.000 1.095 88 L CA 1.403 56.151 54.840 -0.154 0.000 0.770 88 L CB -0.381 41.576 42.059 -0.169 0.000 0.914 88 L HN 0.502 nan 8.230 nan 0.000 0.439 89 V N -4.559 115.345 119.914 -0.018 0.000 2.788 89 V HA 0.071 4.201 4.120 0.017 0.000 0.241 89 V C 1.699 177.821 176.094 0.046 0.000 1.083 89 V CA 0.692 63.005 62.300 0.022 0.000 1.103 89 V CB -0.247 31.584 31.823 0.013 0.000 0.800 89 V HN 0.130 nan 8.190 nan 0.000 0.476 90 D N 1.009 121.439 120.400 0.051 0.000 2.194 90 D HA 0.043 4.693 4.640 0.017 0.000 0.204 90 D C 1.270 177.641 176.300 0.118 0.000 0.964 90 D CA 1.226 55.270 54.000 0.074 0.000 0.846 90 D CB -0.027 40.814 40.800 0.069 0.000 0.962 90 D HN 0.497 nan 8.370 nan 0.000 0.490 91 K N 0.335 120.837 120.400 0.170 0.000 3.135 91 K HA 0.429 4.759 4.320 0.017 0.000 0.210 91 K C 0.749 177.516 176.600 0.278 0.000 1.176 91 K CA -0.282 56.165 56.287 0.266 0.000 1.064 91 K CB 1.288 34.069 32.500 0.468 0.000 1.009 91 K HN -0.094 nan 8.250 nan 0.000 0.472 92 A N 0.719 123.641 122.820 0.171 0.000 1.902 92 A HA -0.202 4.128 4.320 0.017 0.000 0.217 92 A C 2.096 179.776 177.584 0.161 0.000 1.181 92 A CA 1.706 53.835 52.037 0.153 0.000 0.623 92 A CB -0.086 18.981 19.000 0.111 0.000 0.818 92 A HN 0.421 nan 8.150 nan 0.000 0.443 93 E N -0.026 120.252 120.200 0.129 0.000 2.076 93 E HA 0.082 4.442 4.350 0.017 0.000 0.190 93 E C 2.037 178.669 176.600 0.052 0.000 0.979 93 E CA 1.328 57.786 56.400 0.096 0.000 0.807 93 E CB -0.467 29.279 29.700 0.076 0.000 0.761 93 E HN 0.412 nan 8.360 nan 0.000 0.454 94 A N -0.128 122.710 122.820 0.031 0.000 1.917 94 A HA -0.155 4.175 4.320 0.017 0.000 0.219 94 A C 1.738 179.199 177.584 -0.206 0.000 1.182 94 A CA 1.423 53.393 52.037 -0.111 0.000 0.633 94 A CB -0.851 18.044 19.000 -0.176 0.000 0.819 94 A HN 0.372 nan 8.150 nan 0.000 0.448 95 F N 0.522 120.462 119.950 -0.017 0.000 2.731 95 F HA 0.065 4.602 4.527 0.017 0.000 0.304 95 F C 2.189 178.032 175.800 0.073 0.000 1.133 95 F CA 0.674 58.667 58.000 -0.011 0.000 1.380 95 F CB 0.136 39.090 39.000 -0.077 0.000 1.079 95 F HN 0.297 nan 8.300 nan 0.000 0.550 96 S N -1.172 114.586 115.700 0.098 0.000 2.603 96 S HA 0.177 4.657 4.470 0.017 0.000 0.220 96 S C 1.229 175.656 174.600 -0.288 0.000 0.967 96 S CA 0.002 58.165 58.200 -0.062 0.000 0.920 96 S CB -0.532 62.639 63.200 -0.048 0.000 0.773 96 S HN 0.164 nan 8.310 nan 0.000 0.529 97 G N 1.220 109.911 108.800 -0.182 0.000 2.503 97 G HA2 0.492 4.462 3.960 0.017 0.000 0.257 97 G HA3 0.492 4.462 3.960 0.017 0.000 0.257 97 G C -0.561 174.146 174.900 -0.321 0.000 1.214 97 G CA -0.872 44.080 45.100 -0.247 0.000 0.839 97 G HN 0.430 nan 8.290 nan 0.000 0.559 98 R N 0.670 120.969 120.500 -0.335 0.000 2.294 98 R HA 0.564 4.914 4.340 0.017 0.000 0.319 98 R C 0.614 176.837 176.300 -0.128 0.000 0.984 98 R CA -0.039 55.878 56.100 -0.306 0.000 0.861 98 R CB 0.794 30.901 30.300 -0.321 0.000 1.104 98 R HN 0.635 nan 8.270 nan 0.000 0.451 99 G N 1.448 110.213 108.800 -0.059 0.000 2.547 99 G HA2 0.494 4.464 3.960 0.017 0.000 0.291 99 G HA3 0.494 4.464 3.960 0.017 0.000 0.291 99 G C -0.930 174.005 174.900 0.057 0.000 1.211 99 G CA -0.332 44.783 45.100 0.025 0.000 0.950 99 G HN 0.773 nan 8.290 nan 0.000 0.504 100 K N -0.694 119.751 120.400 0.074 0.000 2.110 100 K HA 0.621 4.951 4.320 0.017 0.000 0.263 100 K C -0.297 176.372 176.600 0.114 0.000 0.975 100 K CA -0.619 55.720 56.287 0.087 0.000 0.895 100 K CB 1.486 34.016 32.500 0.051 0.000 1.060 100 K HN 1.136 nan 8.250 nan 0.000 0.448 101 I N 0.845 121.492 120.570 0.128 0.000 2.330 101 I HA 0.562 4.742 4.170 0.017 0.000 0.286 101 I C 1.188 177.388 176.117 0.138 0.000 1.025 101 I CA -0.193 61.193 61.300 0.143 0.000 1.197 101 I CB 1.118 39.233 38.000 0.193 0.000 1.358 101 I HN 0.716 nan 8.210 nan 0.000 0.467 102 A N 7.402 130.315 122.820 0.154 0.000 1.948 102 A HA -0.146 4.184 4.320 0.017 0.000 0.220 102 A C 1.944 179.745 177.584 0.361 0.000 1.177 102 A CA 1.883 54.033 52.037 0.188 0.000 0.636 102 A CB -0.508 18.545 19.000 0.089 0.000 0.815 102 A HN 0.815 nan 8.150 nan 0.000 0.449 103 M N -0.465 119.339 119.600 0.340 0.000 2.229 103 M HA -0.093 4.397 4.480 0.017 0.000 0.264 103 M C 2.031 178.432 176.300 0.168 0.000 1.063 103 M CA 1.884 57.329 55.300 0.241 0.000 1.114 103 M CB -0.724 31.971 32.600 0.158 0.000 1.387 103 M HN 0.587 nan 8.290 nan 0.000 0.420 104 V N -4.021 115.975 119.914 0.136 0.000 3.635 104 V HA 0.069 4.199 4.120 0.017 0.000 0.266 104 V C 1.436 177.552 176.094 0.035 0.000 1.316 104 V CA 1.030 63.376 62.300 0.078 0.000 1.060 104 V CB -0.409 31.440 31.823 0.042 0.000 0.820 104 V HN 0.213 nan 8.190 nan 0.000 0.447 105 D N 2.096 122.503 120.400 0.011 0.000 2.149 105 D HA -0.100 4.550 4.640 0.017 0.000 0.198 105 D C -0.125 176.213 176.300 0.064 0.000 0.990 105 D CA 2.196 56.183 54.000 -0.021 0.000 0.839 105 D CB -0.895 39.915 40.800 0.016 0.000 0.948 105 D HN 0.409 nan 8.370 nan 0.000 0.460 106 P HA -0.083 nan 4.420 nan 0.000 0.218 106 P C 1.045 178.490 177.300 0.242 0.000 1.148 106 P CA 0.807 64.036 63.100 0.214 0.000 0.822 106 P CB -0.131 31.756 31.700 0.311 0.000 0.784 107 F N -1.036 118.910 119.950 -0.007 0.000 2.074 107 F HA -0.070 4.467 4.527 0.016 0.000 0.293 107 F C 2.031 177.603 175.800 -0.381 0.000 1.116 107 F CA 1.496 59.275 58.000 -0.369 0.000 1.212 107 F CB -0.754 37.790 39.000 -0.761 0.000 0.998 107 F HN -0.254 nan 8.300 nan 0.000 0.471 108 F N 0.406 120.269 119.950 -0.145 0.000 2.146 108 F HA -0.024 4.513 4.527 0.017 0.000 0.298 108 F C 1.067 176.839 175.800 -0.047 0.000 1.096 108 F CA 1.156 59.052 58.000 -0.173 0.000 1.275 108 F CB -0.514 38.232 39.000 -0.422 0.000 1.008 108 F HN -0.170 nan 8.300 nan 0.000 0.480 109 R N 0.209 120.765 120.500 0.092 0.000 3.416 109 R HA -0.208 4.142 4.340 0.017 0.000 0.263 109 R C 1.094 177.471 176.300 0.129 0.000 1.053 109 R CA 0.745 56.909 56.100 0.106 0.000 0.705 109 R CB -2.772 27.601 30.300 0.122 0.000 1.124 109 R HN 0.713 nan 8.270 nan 0.000 0.444 110 G N -1.773 107.094 108.800 0.111 0.000 2.143 110 G HA2 -0.378 3.592 3.960 0.017 0.000 0.249 110 G HA3 -0.378 3.592 3.960 0.017 0.000 0.249 110 G C -0.069 174.810 174.900 -0.034 0.000 0.981 110 G CA 0.517 45.642 45.100 0.041 0.000 0.665 110 G HN 0.435 nan 8.290 nan 0.000 0.528 111 Y N 0.322 120.731 120.300 0.183 0.000 2.376 111 Y HA 0.529 5.088 4.550 0.016 0.000 0.325 111 Y C 1.064 177.134 175.900 0.283 0.000 1.199 111 Y CA 0.502 58.717 58.100 0.192 0.000 1.206 111 Y CB 1.843 40.399 38.460 0.159 0.000 1.229 111 Y HN 1.189 nan 8.280 nan 0.000 0.480 112 G N 0.015 109.029 108.800 0.357 0.000 2.675 112 G HA2 -0.143 3.827 3.960 0.017 0.000 0.686 112 G HA3 -0.143 3.827 3.960 0.017 0.000 0.686 112 G C 0.096 175.083 174.900 0.145 0.000 1.215 112 G CA -0.558 44.691 45.100 0.249 0.000 0.777 112 G HN 0.605 nan 8.290 nan 0.000 0.638 113 V N 1.981 121.958 119.914 0.106 0.000 2.392 113 V HA -0.205 3.925 4.120 0.017 0.000 0.249 113 V C 2.924 179.058 176.094 0.067 0.000 1.059 113 V CA 2.638 65.026 62.300 0.147 0.000 1.051 113 V CB -0.863 31.029 31.823 0.114 0.000 0.658 113 V HN 0.644 nan 8.190 nan 0.000 0.455 114 I N -1.050 119.389 120.570 -0.219 0.000 2.226 114 I HA -0.215 3.965 4.170 0.017 0.000 0.245 114 I C 1.932 177.695 176.117 -0.591 0.000 1.100 114 I CA 1.841 62.813 61.300 -0.547 0.000 1.374 114 I CB -0.405 36.914 38.000 -1.135 0.000 1.057 114 I HN 0.252 nan 8.210 nan 0.000 0.413 115 F N 0.884 120.768 119.950 -0.110 0.000 2.695 115 F HA 0.435 4.972 4.527 0.017 0.000 0.303 115 F C 1.338 177.083 175.800 -0.093 0.000 1.091 115 F CA -0.587 57.338 58.000 -0.125 0.000 1.300 115 F CB -0.463 38.456 39.000 -0.136 0.000 1.071 115 F HN -0.149 nan 8.300 nan 0.000 0.578 116 A N 0.399 123.265 122.820 0.076 0.000 2.304 116 A HA 0.514 4.843 4.320 0.017 0.000 0.271 116 A C 0.189 177.766 177.584 -0.011 0.000 1.091 116 A CA -0.261 51.813 52.037 0.061 0.000 0.812 116 A CB 0.364 19.455 19.000 0.152 0.000 1.056 116 A HN 0.208 nan 8.150 nan 0.000 0.489 117 N N -1.243 117.460 118.700 0.006 0.000 2.629 117 N HA 0.594 5.343 4.740 0.017 0.000 0.279 117 N C 0.700 176.276 175.510 0.110 0.000 1.344 117 N CA 0.531 53.571 53.050 -0.016 0.000 0.789 117 N CB 1.795 40.240 38.487 -0.070 0.000 1.508 117 N HN 1.236 nan 8.380 nan 0.000 0.516 118 G N 1.482 110.356 108.800 0.123 0.000 2.634 118 G HA2 -0.392 3.578 3.960 0.017 0.000 0.309 118 G HA3 -0.392 3.578 3.960 0.017 0.000 0.309 118 G C 0.893 175.925 174.900 0.221 0.000 1.265 118 G CA 0.629 45.823 45.100 0.157 0.000 0.998 118 G HN 0.636 nan 8.290 nan 0.000 0.551 119 N N 0.519 119.308 118.700 0.149 0.000 2.106 119 N HA -0.085 4.665 4.740 0.017 0.000 0.188 119 N C 2.402 178.008 175.510 0.160 0.000 1.029 119 N CA 1.456 54.596 53.050 0.150 0.000 0.848 119 N CB -0.361 38.215 38.487 0.149 0.000 1.007 119 N HN 0.588 nan 8.380 nan 0.000 0.423 120 R N -0.216 120.338 120.500 0.089 0.000 2.134 120 R HA -0.223 4.127 4.340 0.017 0.000 0.248 120 R C 2.205 178.502 176.300 -0.005 0.000 1.143 120 R CA 2.083 58.074 56.100 -0.182 0.000 0.957 120 R CB -0.538 29.516 30.300 -0.410 0.000 0.867 120 R HN 0.354 nan 8.270 nan 0.000 0.441 121 W N 1.362 122.617 121.300 -0.074 0.000 2.378 121 W HA -0.106 4.564 4.660 0.016 0.000 0.313 121 W C 1.807 178.325 176.519 -0.002 0.000 1.197 121 W CA 1.587 58.906 57.345 -0.043 0.000 1.304 121 W CB -0.210 29.220 29.460 -0.050 0.000 1.148 121 W HN -0.039 nan 8.180 nan 0.000 0.494 122 K N -0.137 120.113 120.400 -0.249 0.000 2.074 122 K HA -0.208 4.122 4.320 0.017 0.000 0.209 122 K C 1.824 178.214 176.600 -0.350 0.000 1.048 122 K CA 2.105 58.077 56.287 -0.525 0.000 0.926 122 K CB -0.732 31.669 32.500 -0.164 0.000 0.713 122 K HN 0.127 nan 8.250 nan 0.000 0.444 123 V N 1.059 120.892 119.914 -0.134 0.000 2.379 123 V HA -0.188 3.942 4.120 0.017 0.000 0.245 123 V C 2.099 178.177 176.094 -0.026 0.000 1.044 123 V CA 1.104 63.383 62.300 -0.035 0.000 1.036 123 V CB -0.284 31.589 31.823 0.084 0.000 0.664 123 V HN 0.212 nan 8.190 nan 0.000 0.453 124 L N 0.380 121.579 121.223 -0.040 0.000 2.017 124 L HA -0.152 4.198 4.340 0.017 0.000 0.208 124 L C 2.602 179.454 176.870 -0.030 0.000 1.073 124 L CA 2.217 57.071 54.840 0.023 0.000 0.745 124 L CB -0.737 41.348 42.059 0.043 0.000 0.894 124 L HN 0.254 nan 8.230 nan 0.000 0.432 125 R N -0.958 119.386 120.500 -0.260 0.000 2.075 125 R HA -0.205 4.145 4.340 0.017 0.000 0.232 125 R C 2.436 178.609 176.300 -0.211 0.000 1.126 125 R CA 1.352 57.272 56.100 -0.299 0.000 0.963 125 R CB -0.216 29.695 30.300 -0.648 0.000 0.858 125 R HN 0.212 nan 8.270 nan 0.000 0.435 126 R N -0.084 120.290 120.500 -0.210 0.000 2.096 126 R HA -0.135 4.214 4.340 0.017 0.000 0.235 126 R C 1.869 178.132 176.300 -0.061 0.000 1.127 126 R CA 1.854 57.878 56.100 -0.128 0.000 0.968 126 R CB -0.867 29.369 30.300 -0.105 0.000 0.861 126 R HN 0.377 nan 8.270 nan 0.000 0.440 127 F N 0.482 120.329 119.950 -0.172 0.000 2.146 127 F HA -0.125 4.413 4.527 0.018 0.000 0.298 127 F C 2.054 177.732 175.800 -0.205 0.000 1.096 127 F CA 1.753 59.624 58.000 -0.216 0.000 1.275 127 F CB -0.296 38.532 39.000 -0.286 0.000 1.008 127 F HN 0.039 nan 8.300 nan 0.000 0.480 128 S N 0.210 115.821 115.700 -0.149 0.000 2.368 128 S HA -0.247 4.232 4.470 0.017 0.000 0.226 128 S C 2.093 176.552 174.600 -0.235 0.000 1.044 128 S CA 1.695 59.790 58.200 -0.174 0.000 1.062 128 S CB -0.849 62.324 63.200 -0.045 0.000 0.931 128 S HN 0.275 nan 8.310 nan 0.000 0.440 129 V N 2.015 121.819 119.914 -0.183 0.000 2.255 129 V HA -0.213 3.917 4.120 0.017 0.000 0.247 129 V C 2.946 178.932 176.094 -0.180 0.000 1.051 129 V CA 2.206 64.412 62.300 -0.156 0.000 1.018 129 V CB -1.581 30.168 31.823 -0.124 0.000 0.641 129 V HN 0.818 nan 8.190 nan 0.000 0.445 130 T N -3.017 111.406 114.554 -0.218 0.000 2.867 130 T HA -0.204 4.156 4.350 0.017 0.000 0.268 130 T C 1.763 176.294 174.700 -0.282 0.000 1.057 130 T CA 2.016 63.989 62.100 -0.212 0.000 1.136 130 T CB -0.680 68.078 68.868 -0.183 0.000 0.874 130 T HN 0.455 nan 8.240 nan 0.000 0.466 131 T N 2.213 116.481 114.554 -0.477 0.000 2.737 131 T HA 0.062 4.422 4.350 0.017 0.000 0.265 131 T C 1.939 176.537 174.700 -0.170 0.000 1.038 131 T CA 1.275 63.103 62.100 -0.454 0.000 1.144 131 T CB -0.274 68.151 68.868 -0.739 0.000 0.866 131 T HN 0.226 nan 8.240 nan 0.000 0.434 132 M N 1.060 120.563 119.600 -0.161 0.000 2.394 132 M HA 0.070 4.560 4.480 0.017 0.000 0.264 132 M C 2.835 179.130 176.300 -0.008 0.000 1.073 132 M CA 0.817 56.077 55.300 -0.068 0.000 1.111 132 M CB -1.246 31.268 32.600 -0.144 0.000 1.401 132 M HN 0.328 nan 8.290 nan 0.000 0.448 133 R N 0.771 121.239 120.500 -0.053 0.000 2.092 133 R HA -0.120 4.230 4.340 0.017 0.000 0.231 133 R C 1.526 177.820 176.300 -0.011 0.000 1.119 133 R CA 1.842 57.922 56.100 -0.033 0.000 0.970 133 R CB -1.531 28.736 30.300 -0.054 0.000 0.864 133 R HN 0.433 nan 8.270 nan 0.000 0.440 134 D N -1.036 119.352 120.400 -0.019 0.000 2.317 134 D HA 0.033 4.683 4.640 0.017 0.000 0.211 134 D C -0.055 176.254 176.300 0.016 0.000 0.966 134 D CA 0.005 53.996 54.000 -0.016 0.000 0.876 134 D CB -0.320 40.454 40.800 -0.043 0.000 0.927 134 D HN 0.407 nan 8.370 nan 0.000 0.519 135 F N 0.742 120.646 119.950 -0.076 0.000 2.571 135 F HA 0.310 4.846 4.527 0.015 0.000 0.384 135 F C 1.666 177.443 175.800 -0.038 0.000 1.058 135 F CA 1.212 59.180 58.000 -0.054 0.000 1.200 135 F CB 0.644 39.608 39.000 -0.060 0.000 1.077 135 F HN 0.179 nan 8.300 nan 0.000 0.558 136 G N 2.654 111.252 108.800 -0.336 0.000 2.254 136 G HA2 -0.356 3.614 3.960 0.017 0.000 0.225 136 G HA3 -0.356 3.614 3.960 0.017 0.000 0.225 136 G C 0.958 175.781 174.900 -0.128 0.000 1.003 136 G CA 0.417 45.403 45.100 -0.190 0.000 0.622 136 G HN 1.007 nan 8.290 nan 0.000 0.507 137 M N 0.633 120.171 119.600 -0.103 0.000 2.099 137 M HA 0.534 5.024 4.480 0.017 0.000 0.262 137 M C 2.990 179.233 176.300 -0.095 0.000 1.067 137 M CA 2.818 58.073 55.300 -0.075 0.000 1.124 137 M CB -1.679 30.888 32.600 -0.054 0.000 1.353 137 M HN 1.369 nan 8.290 nan 0.000 0.410 138 G N 0.383 109.105 108.800 -0.132 0.000 2.394 138 G HA2 0.330 4.300 3.960 0.017 0.000 0.215 138 G HA3 0.330 4.300 3.960 0.017 0.000 0.215 138 G C 0.898 175.701 174.900 -0.162 0.000 1.165 138 G CA 1.744 46.764 45.100 -0.133 0.000 0.784 138 G HN 1.071 nan 8.290 nan 0.000 0.535 139 K N 0.136 120.379 120.400 -0.262 0.000 2.444 139 K HA 0.680 5.010 4.320 0.017 0.000 0.252 139 K C 0.125 176.584 176.600 -0.235 0.000 0.993 139 K CA -0.583 55.541 56.287 -0.271 0.000 0.847 139 K CB 0.475 32.729 32.500 -0.411 0.000 1.340 139 K HN 0.629 nan 8.250 nan 0.000 0.446 140 R N 0.721 121.145 120.500 -0.126 0.000 2.640 140 R HA 0.246 4.596 4.340 0.017 0.000 0.270 140 R C 0.503 176.809 176.300 0.010 0.000 1.024 140 R CA 0.352 56.427 56.100 -0.041 0.000 1.085 140 R CB -0.003 30.300 30.300 0.005 0.000 0.963 140 R HN 0.771 nan 8.270 nan 0.000 0.426 141 S N 1.793 117.524 115.700 0.052 0.000 2.580 141 S HA -0.032 4.448 4.470 0.017 0.000 0.266 141 S C 1.385 176.101 174.600 0.193 0.000 1.354 141 S CA -0.480 57.800 58.200 0.134 0.000 1.008 141 S CB 1.118 64.364 63.200 0.077 0.000 0.898 141 S HN 0.482 nan 8.310 nan 0.000 0.555 142 V N 1.434 121.469 119.914 0.201 0.000 2.343 142 V HA -0.176 3.954 4.120 0.017 0.000 0.247 142 V C 2.799 178.927 176.094 0.056 0.000 1.051 142 V CA 2.359 64.719 62.300 0.101 0.000 1.036 142 V CB -1.276 30.546 31.823 -0.001 0.000 0.654 142 V HN 1.058 nan 8.190 nan 0.000 0.451 143 E N 0.218 120.445 120.200 0.045 0.000 2.085 143 E HA -0.294 4.066 4.350 0.017 0.000 0.194 143 E C 2.128 178.751 176.600 0.039 0.000 0.994 143 E CA 1.838 58.255 56.400 0.029 0.000 0.801 143 E CB -0.109 29.611 29.700 0.033 0.000 0.743 143 E HN 0.733 nan 8.360 nan 0.000 0.453 144 E N -0.069 120.165 120.200 0.056 0.000 2.110 144 E HA -0.177 4.183 4.350 0.017 0.000 0.193 144 E C 2.274 178.914 176.600 0.068 0.000 0.988 144 E CA 1.002 57.436 56.400 0.058 0.000 0.804 144 E CB -0.009 29.724 29.700 0.054 0.000 0.745 144 E HN 0.227 nan 8.360 nan 0.000 0.458 145 R N 0.204 120.754 120.500 0.084 0.000 2.115 145 R HA -0.030 4.320 4.340 0.017 0.000 0.226 145 R C 2.270 178.624 176.300 0.091 0.000 1.100 145 R CA 0.848 57.006 56.100 0.097 0.000 0.980 145 R CB -0.132 30.241 30.300 0.122 0.000 0.875 145 R HN 0.187 nan 8.270 nan 0.000 0.445 146 I N 0.747 121.342 120.570 0.042 0.000 2.286 146 I HA -0.237 3.942 4.170 0.017 0.000 0.245 146 I C 2.287 178.398 176.117 -0.011 0.000 1.104 146 I CA 1.248 62.528 61.300 -0.033 0.000 1.397 146 I CB -0.187 37.706 38.000 -0.178 0.000 1.072 146 I HN 0.179 nan 8.210 nan 0.000 0.417 147 Q N 0.653 120.464 119.800 0.019 0.000 2.096 147 Q HA -0.257 4.093 4.340 0.017 0.000 0.204 147 Q C 2.087 178.150 176.000 0.105 0.000 0.982 147 Q CA 1.711 57.549 55.803 0.059 0.000 0.850 147 Q CB -0.156 28.618 28.738 0.060 0.000 0.901 147 Q HN 0.531 nan 8.270 nan 0.000 0.422 148 E N 0.489 120.750 120.200 0.101 0.000 2.085 148 E HA -0.245 4.115 4.350 0.017 0.000 0.194 148 E C 1.903 178.596 176.600 0.155 0.000 0.994 148 E CA 1.217 57.683 56.400 0.109 0.000 0.801 148 E CB 0.004 29.755 29.700 0.084 0.000 0.743 148 E HN 0.220 nan 8.360 nan 0.000 0.453 149 E N 0.746 121.073 120.200 0.211 0.000 2.072 149 E HA -0.122 4.238 4.350 0.017 0.000 0.191 149 E C 1.853 178.704 176.600 0.418 0.000 0.985 149 E CA 1.232 57.824 56.400 0.320 0.000 0.801 149 E CB -0.189 29.770 29.700 0.433 0.000 0.750 149 E HN 0.242 nan 8.360 nan 0.000 0.452 150 A N 0.331 123.421 122.820 0.449 0.000 1.933 150 A HA -0.251 4.078 4.320 0.017 0.000 0.218 150 A C 2.188 179.939 177.584 0.278 0.000 1.175 150 A CA 1.879 54.181 52.037 0.441 0.000 0.628 150 A CB -0.724 18.468 19.000 0.320 0.000 0.814 150 A HN 0.330 nan 8.150 nan 0.000 0.444 151 Q N -0.081 119.848 119.800 0.214 0.000 2.020 151 Q HA -0.172 4.178 4.340 0.017 0.000 0.202 151 Q C 2.029 178.136 176.000 0.179 0.000 0.982 151 Q CA 2.513 58.417 55.803 0.169 0.000 0.838 151 Q CB -1.115 27.700 28.738 0.128 0.000 0.899 151 Q HN 0.627 nan 8.270 nan 0.000 0.423 152 C N -0.003 119.412 119.300 0.192 0.000 2.413 152 C HA -0.126 4.344 4.460 0.017 0.000 0.276 152 C C 2.571 177.763 174.990 0.338 0.000 1.248 152 C CA 0.736 59.885 59.018 0.219 0.000 1.742 152 C CB -1.432 26.401 27.740 0.155 0.000 2.017 152 C HN 0.656 nan 8.230 nan 0.000 0.481 153 L N 2.343 123.759 121.223 0.321 0.000 2.012 153 L HA -0.130 4.220 4.340 0.017 0.000 0.210 153 L C 2.309 179.197 176.870 0.030 0.000 1.073 153 L CA 2.158 57.072 54.840 0.123 0.000 0.748 153 L CB -0.806 41.270 42.059 0.029 0.000 0.891 153 L HN 0.552 nan 8.230 nan 0.000 0.431 154 I N -3.673 116.973 120.570 0.126 0.000 2.546 154 I HA -0.147 4.033 4.170 0.017 0.000 0.255 154 I C 1.939 178.200 176.117 0.241 0.000 1.163 154 I CA 1.204 62.635 61.300 0.217 0.000 1.457 154 I CB -0.706 37.494 38.000 0.334 0.000 1.092 154 I HN 0.315 nan 8.210 nan 0.000 0.434 155 E N 1.388 121.696 120.200 0.181 0.000 2.107 155 E HA -0.237 4.122 4.350 0.017 0.000 0.191 155 E C 1.992 178.670 176.600 0.130 0.000 0.982 155 E CA 1.375 57.871 56.400 0.160 0.000 0.809 155 E CB -0.046 29.737 29.700 0.139 0.000 0.756 155 E HN 0.557 nan 8.360 nan 0.000 0.459 156 E N 1.350 121.622 120.200 0.120 0.000 2.072 156 E HA -0.139 4.221 4.350 0.017 0.000 0.191 156 E C 1.975 178.527 176.600 -0.080 0.000 0.985 156 E CA 0.839 57.274 56.400 0.059 0.000 0.801 156 E CB -0.136 29.619 29.700 0.091 0.000 0.750 156 E HN 0.174 nan 8.360 nan 0.000 0.452 157 L N 0.023 121.119 121.223 -0.211 0.000 2.046 157 L HA -0.130 4.220 4.340 0.017 0.000 0.208 157 L C 2.675 179.429 176.870 -0.194 0.000 1.077 157 L CA 1.167 55.729 54.840 -0.463 0.000 0.747 157 L CB -0.463 40.919 42.059 -1.129 0.000 0.896 157 L HN 0.122 nan 8.230 nan 0.000 0.432 158 R N 1.450 122.046 120.500 0.161 0.000 2.083 158 R HA -0.187 4.163 4.340 0.017 0.000 0.237 158 R C 2.432 178.818 176.300 0.143 0.000 1.137 158 R CA 2.416 58.705 56.100 0.314 0.000 0.951 158 R CB -0.854 29.620 30.300 0.289 0.000 0.851 158 R HN 0.232 nan 8.270 nan 0.000 0.434 159 K N 0.151 120.602 120.400 0.085 0.000 2.209 159 K HA -0.076 4.254 4.320 0.017 0.000 0.204 159 K C 2.057 178.672 176.600 0.025 0.000 1.048 159 K CA 1.723 58.042 56.287 0.053 0.000 0.940 159 K CB -1.159 31.370 32.500 0.049 0.000 0.729 159 K HN 0.653 nan 8.250 nan 0.000 0.451 160 S N 0.024 115.725 115.700 0.000 0.000 2.447 160 S HA -0.078 4.402 4.470 0.017 0.000 0.233 160 S C 0.761 175.369 174.600 0.013 0.000 1.006 160 S CA 0.872 59.063 58.200 -0.014 0.000 0.957 160 S CB -0.175 62.996 63.200 -0.049 0.000 0.773 160 S HN 0.494 nan 8.310 nan 0.000 0.507 161 K N 0.761 121.190 120.400 0.050 0.000 3.148 161 K HA -0.170 4.160 4.320 0.017 0.000 0.267 161 K C 0.865 177.496 176.600 0.052 0.000 0.996 161 K CA 0.706 57.031 56.287 0.063 0.000 0.737 161 K CB -2.449 30.075 32.500 0.040 0.000 1.308 161 K HN 1.196 nan 8.250 nan 0.000 0.470 162 G N -1.420 107.420 108.800 0.067 0.000 2.155 162 G HA2 -0.313 3.657 3.960 0.017 0.000 0.257 162 G HA3 -0.313 3.657 3.960 0.017 0.000 0.257 162 G C 0.341 175.241 174.900 0.000 0.000 0.983 162 G CA 0.857 45.983 45.100 0.044 0.000 0.676 162 G HN 1.005 nan 8.290 nan 0.000 0.528 163 A N -0.474 122.340 122.820 -0.010 0.000 2.386 163 A HA 0.690 5.020 4.320 0.017 0.000 0.248 163 A C 0.757 178.307 177.584 -0.057 0.000 1.082 163 A CA -0.122 51.895 52.037 -0.033 0.000 0.789 163 A CB 0.416 19.393 19.000 -0.038 0.000 1.025 163 A HN 0.861 nan 8.150 nan 0.000 0.490 164 L N 1.875 123.058 121.223 -0.067 0.000 2.380 164 L HA 0.504 4.854 4.340 0.017 0.000 0.273 164 L C 0.441 177.253 176.870 -0.096 0.000 1.138 164 L CA 0.202 54.989 54.840 -0.087 0.000 0.832 164 L CB 0.571 42.587 42.059 -0.071 0.000 1.124 164 L HN 0.913 nan 8.230 nan 0.000 0.454 165 M N 1.002 120.530 119.600 -0.120 0.000 2.520 165 M HA 0.440 4.929 4.480 0.017 0.000 0.280 165 M C -1.594 174.608 176.300 -0.162 0.000 1.232 165 M CA -0.896 54.328 55.300 -0.127 0.000 0.892 165 M CB 2.214 34.742 32.600 -0.121 0.000 1.728 165 M HN 0.265 nan 8.290 nan 0.000 0.475 166 D N 4.060 124.380 120.400 -0.134 0.000 2.339 166 D HA 0.314 4.964 4.640 0.017 0.000 0.241 166 D C -1.803 174.385 176.300 -0.187 0.000 1.183 166 D CA -1.662 52.228 54.000 -0.184 0.000 0.859 166 D CB 1.310 42.103 40.800 -0.010 0.000 1.067 166 D HN 0.472 nan 8.370 nan 0.000 0.484 167 P HA -0.013 nan 4.420 nan 0.000 0.249 167 P C 1.026 177.969 177.300 -0.595 0.000 1.241 167 P CA 0.154 62.909 63.100 -0.575 0.000 0.781 167 P CB 0.314 31.507 31.700 -0.844 0.000 1.088 168 T N 0.347 114.588 114.554 -0.521 0.000 2.665 168 T HA -0.156 4.204 4.350 0.017 0.000 0.268 168 T C 1.344 175.642 174.700 -0.670 0.000 1.035 168 T CA 1.683 63.382 62.100 -0.668 0.000 1.151 168 T CB -0.890 67.340 68.868 -1.063 0.000 0.862 168 T HN 0.111 nan 8.240 nan 0.000 0.438 169 F N 0.822 120.577 119.950 -0.325 0.000 2.171 169 F HA 0.090 4.626 4.527 0.016 0.000 0.300 169 F C 2.229 177.869 175.800 -0.266 0.000 1.090 169 F CA 0.527 58.360 58.000 -0.279 0.000 1.293 169 F CB -0.761 38.084 39.000 -0.258 0.000 1.013 169 F HN 0.065 nan 8.300 nan 0.000 0.486 170 L N -1.216 119.892 121.223 -0.191 0.000 2.056 170 L HA -0.175 4.175 4.340 0.017 0.000 0.207 170 L C 2.392 179.113 176.870 -0.249 0.000 1.078 170 L CA 0.919 55.546 54.840 -0.355 0.000 0.749 170 L CB -0.479 41.222 42.059 -0.595 0.000 0.901 170 L HN 0.058 nan 8.230 nan 0.000 0.433 171 F N 0.347 120.143 119.950 -0.256 0.000 2.146 171 F HA -0.204 4.332 4.527 0.016 0.000 0.298 171 F C 2.685 178.379 175.800 -0.176 0.000 1.096 171 F CA 0.944 58.803 58.000 -0.235 0.000 1.275 171 F CB -0.976 37.920 39.000 -0.173 0.000 1.008 171 F HN 0.127 nan 8.300 nan 0.000 0.480 172 Q N -0.357 119.444 119.800 0.002 0.000 2.096 172 Q HA -0.171 4.179 4.340 0.017 0.000 0.204 172 Q C 2.369 178.382 176.000 0.022 0.000 0.982 172 Q CA 2.038 57.819 55.803 -0.037 0.000 0.850 172 Q CB -0.379 28.284 28.738 -0.125 0.000 0.901 172 Q HN 0.280 nan 8.270 nan 0.000 0.422 173 S N 1.088 116.816 115.700 0.047 0.000 2.368 173 S HA -0.134 4.346 4.470 0.017 0.000 0.224 173 S C 2.089 176.937 174.600 0.414 0.000 1.029 173 S CA 1.377 59.751 58.200 0.290 0.000 0.988 173 S CB -0.396 63.061 63.200 0.427 0.000 0.838 173 S HN 0.513 nan 8.310 nan 0.000 0.462 174 I N 1.470 122.156 120.570 0.193 0.000 2.252 174 I HA -0.133 4.047 4.170 0.017 0.000 0.245 174 I C 2.502 178.733 176.117 0.190 0.000 1.102 174 I CA 1.735 63.108 61.300 0.123 0.000 1.385 174 I CB -1.482 36.299 38.000 -0.364 0.000 1.064 174 I HN 0.330 nan 8.210 nan 0.000 0.414 175 T N -0.345 114.293 114.554 0.140 0.000 2.812 175 T HA 0.136 4.496 4.350 0.017 0.000 0.264 175 T C 2.163 176.992 174.700 0.215 0.000 1.042 175 T CA 0.868 63.085 62.100 0.195 0.000 1.140 175 T CB -0.578 68.356 68.868 0.110 0.000 0.870 175 T HN 0.440 nan 8.240 nan 0.000 0.445 176 A N 2.715 125.684 122.820 0.248 0.000 1.908 176 A HA -0.165 4.165 4.320 0.017 0.000 0.218 176 A C 2.397 180.272 177.584 0.486 0.000 1.181 176 A CA 1.855 54.121 52.037 0.383 0.000 0.627 176 A CB -1.027 18.218 19.000 0.409 0.000 0.818 176 A HN 0.503 nan 8.150 nan 0.000 0.445 177 N N 0.085 119.064 118.700 0.466 0.000 2.223 177 N HA -0.114 4.636 4.740 0.017 0.000 0.185 177 N C 1.506 177.181 175.510 0.275 0.000 1.016 177 N CA 1.257 54.526 53.050 0.364 0.000 0.863 177 N CB -0.330 38.336 38.487 0.297 0.000 0.983 177 N HN 0.420 nan 8.380 nan 0.000 0.429 178 I N 0.873 121.599 120.570 0.260 0.000 2.252 178 I HA -0.174 4.006 4.170 0.017 0.000 0.245 178 I C 2.083 178.246 176.117 0.077 0.000 1.102 178 I CA 0.812 62.217 61.300 0.175 0.000 1.385 178 I CB -0.959 37.149 38.000 0.180 0.000 1.064 178 I HN 0.057 nan 8.210 nan 0.000 0.414 179 I N 0.047 120.641 120.570 0.040 0.000 2.252 179 I HA -0.303 3.877 4.170 0.017 0.000 0.245 179 I C 2.890 178.967 176.117 -0.067 0.000 1.102 179 I CA 0.932 62.115 61.300 -0.195 0.000 1.385 179 I CB -0.527 37.154 38.000 -0.531 0.000 1.064 179 I HN 0.260 nan 8.210 nan 0.000 0.414 180 C N 0.067 119.566 119.300 0.332 0.000 2.413 180 C HA -0.205 4.265 4.460 0.017 0.000 0.277 180 C C 3.407 178.578 174.990 0.302 0.000 1.265 180 C CA 1.814 61.160 59.018 0.546 0.000 1.752 180 C CB -0.928 27.223 27.740 0.684 0.000 1.998 180 C HN 0.622 nan 8.230 nan 0.000 0.489 181 S N -0.299 115.517 115.700 0.192 0.000 2.368 181 S HA -0.071 4.409 4.470 0.017 0.000 0.224 181 S C 1.675 176.364 174.600 0.147 0.000 1.029 181 S CA 1.692 59.983 58.200 0.153 0.000 0.988 181 S CB -0.374 62.903 63.200 0.129 0.000 0.838 181 S HN 0.640 nan 8.310 nan 0.000 0.462 182 I N 0.913 121.508 120.570 0.041 0.000 2.202 182 I HA -0.105 4.074 4.170 0.017 0.000 0.242 182 I C 2.285 178.386 176.117 -0.026 0.000 1.091 182 I CA 1.084 62.346 61.300 -0.062 0.000 1.368 182 I CB -0.247 37.535 38.000 -0.362 0.000 1.058 182 I HN 0.222 nan 8.210 nan 0.000 0.410 183 V N -0.334 119.487 119.914 -0.156 0.000 2.379 183 V HA -0.132 3.998 4.120 0.017 0.000 0.243 183 V C 1.663 177.578 176.094 -0.298 0.000 1.035 183 V CA 1.573 63.666 62.300 -0.345 0.000 1.035 183 V CB -0.417 31.003 31.823 -0.671 0.000 0.673 183 V HN 0.236 nan 8.190 nan 0.000 0.457 184 F N 0.472 120.548 119.950 0.209 0.000 2.695 184 F HA 0.500 5.037 4.527 0.017 0.000 0.303 184 F C 1.896 177.844 175.800 0.245 0.000 1.091 184 F CA 0.061 58.209 58.000 0.247 0.000 1.300 184 F CB -0.491 38.700 39.000 0.319 0.000 1.071 184 F HN 0.264 nan 8.300 nan 0.000 0.578 185 G N 1.299 110.297 108.800 0.330 0.000 2.168 185 G HA2 -0.321 3.649 3.960 0.017 0.000 0.257 185 G HA3 -0.321 3.649 3.960 0.017 0.000 0.257 185 G C 0.332 175.324 174.900 0.153 0.000 0.997 185 G CA 0.796 46.036 45.100 0.234 0.000 0.708 185 G HN 0.515 nan 8.290 nan 0.000 0.520 186 K N -1.586 118.897 120.400 0.139 0.000 2.466 186 K HA 0.826 5.156 4.320 0.017 0.000 0.260 186 K C -0.474 176.054 176.600 -0.121 0.000 1.011 186 K CA -1.352 54.911 56.287 -0.040 0.000 0.871 186 K CB 1.835 34.248 32.500 -0.145 0.000 1.404 186 K HN 0.087 nan 8.250 nan 0.000 0.450 187 R N 0.685 121.010 120.500 -0.292 0.000 2.711 187 R HA 0.453 4.803 4.340 0.017 0.000 0.284 187 R C -1.142 174.753 176.300 -0.675 0.000 0.968 187 R CA -0.758 55.145 56.100 -0.329 0.000 0.924 187 R CB 1.180 31.296 30.300 -0.307 0.000 1.162 187 R HN 0.455 nan 8.270 nan 0.000 0.465 188 F N 0.656 120.257 119.950 -0.583 0.000 2.425 188 F HA 0.307 4.844 4.527 0.017 0.000 0.331 188 F C 0.599 175.946 175.800 -0.755 0.000 1.085 188 F CA -0.625 56.889 58.000 -0.811 0.000 1.028 188 F CB 1.090 39.175 39.000 -1.525 0.000 1.177 188 F HN 0.424 nan 8.300 nan 0.000 0.487 189 H N 1.097 120.054 119.070 -0.189 0.000 2.707 189 H HA 0.057 4.623 4.556 0.017 0.000 0.359 189 H C 0.138 175.479 175.328 0.020 0.000 1.113 189 H CA 0.162 56.099 56.048 -0.186 0.000 1.422 189 H CB 0.457 30.173 29.762 -0.077 0.000 1.443 189 H HN 0.554 nan 8.280 nan 0.000 0.591 190 Y N 0.572 121.040 120.300 0.280 0.000 2.403 190 Y HA -0.147 4.412 4.550 0.015 0.000 0.291 190 Y C 1.938 177.973 175.900 0.226 0.000 1.143 190 Y CA 0.881 59.145 58.100 0.273 0.000 1.257 190 Y CB -0.076 38.471 38.460 0.145 0.000 0.984 190 Y HN 0.615 nan 8.280 nan 0.000 0.550 191 Q N -0.311 119.674 119.800 0.308 0.000 2.356 191 Q HA 0.024 4.374 4.340 0.017 0.000 0.205 191 Q C 0.020 176.117 176.000 0.161 0.000 0.901 191 Q CA -0.025 55.886 55.803 0.181 0.000 0.938 191 Q CB 0.178 28.978 28.738 0.102 0.000 1.081 191 Q HN 0.143 nan 8.270 nan 0.000 0.517 192 D N 0.470 121.012 120.400 0.237 0.000 2.479 192 D HA -0.111 4.539 4.640 0.017 0.000 0.257 192 D C 0.498 176.904 176.300 0.177 0.000 1.230 192 D CA 0.324 54.457 54.000 0.221 0.000 0.912 192 D CB 0.899 41.888 40.800 0.314 0.000 1.130 192 D HN 0.122 nan 8.370 nan 0.000 0.515 193 Q N 3.212 123.065 119.800 0.088 0.000 2.123 193 Q HA -0.118 4.232 4.340 0.017 0.000 0.199 193 Q C 1.538 177.542 176.000 0.006 0.000 0.966 193 Q CA 0.957 56.779 55.803 0.033 0.000 0.845 193 Q CB 0.109 28.851 28.738 0.007 0.000 0.907 193 Q HN 0.624 nan 8.270 nan 0.000 0.439 194 E N 0.171 120.375 120.200 0.007 0.000 2.077 194 E HA -0.136 4.224 4.350 0.017 0.000 0.193 194 E C 1.802 178.339 176.600 -0.105 0.000 0.989 194 E CA 0.477 56.843 56.400 -0.057 0.000 0.800 194 E CB -0.441 29.222 29.700 -0.062 0.000 0.746 194 E HN 0.255 nan 8.360 nan 0.000 0.452 195 F N 1.805 121.588 119.950 -0.277 0.000 2.069 195 F HA -0.182 4.355 4.527 0.016 0.000 0.298 195 F C 2.187 177.879 175.800 -0.181 0.000 1.113 195 F CA 1.285 59.055 58.000 -0.384 0.000 1.214 195 F CB -0.582 38.248 39.000 -0.284 0.000 0.978 195 F HN -0.084 nan 8.300 nan 0.000 0.474 196 L N -0.131 121.008 121.223 -0.141 0.000 2.083 196 L HA -0.233 4.117 4.340 0.017 0.000 0.209 196 L C 2.532 179.315 176.870 -0.145 0.000 1.083 196 L CA 1.675 56.391 54.840 -0.207 0.000 0.752 196 L CB -0.725 41.283 42.059 -0.084 0.000 0.899 196 L HN 0.126 nan 8.230 nan 0.000 0.433 197 K N -0.222 120.115 120.400 -0.106 0.000 2.020 197 K HA -0.222 4.108 4.320 0.017 0.000 0.212 197 K C 2.252 178.791 176.600 -0.101 0.000 1.050 197 K CA 1.565 57.800 56.287 -0.087 0.000 0.929 197 K CB -0.011 32.440 32.500 -0.080 0.000 0.714 197 K HN 0.063 nan 8.250 nan 0.000 0.443 198 M N 0.507 120.019 119.600 -0.147 0.000 2.080 198 M HA -0.176 4.314 4.480 0.017 0.000 0.260 198 M C 2.193 178.474 176.300 -0.032 0.000 1.068 198 M CA 1.616 56.837 55.300 -0.131 0.000 1.109 198 M CB -0.889 31.597 32.600 -0.190 0.000 1.342 198 M HN 0.224 nan 8.290 nan 0.000 0.405 199 L N -0.179 120.977 121.223 -0.111 0.000 2.079 199 L HA -0.253 4.097 4.340 0.017 0.000 0.210 199 L C 2.203 179.126 176.870 0.089 0.000 1.081 199 L CA 1.467 56.293 54.840 -0.022 0.000 0.752 199 L CB -0.901 41.000 42.059 -0.263 0.000 0.896 199 L HN 0.390 nan 8.230 nan 0.000 0.433 200 N N 0.445 119.164 118.700 0.033 0.000 2.166 200 N HA -0.184 4.566 4.740 0.017 0.000 0.186 200 N C 1.883 177.464 175.510 0.118 0.000 1.019 200 N CA 1.145 54.254 53.050 0.099 0.000 0.856 200 N CB -0.115 38.410 38.487 0.064 0.000 0.993 200 N HN 0.209 nan 8.380 nan 0.000 0.426 201 L N -0.886 120.353 121.223 0.026 0.000 2.042 201 L HA -0.167 4.183 4.340 0.017 0.000 0.210 201 L C 1.808 178.646 176.870 -0.054 0.000 1.076 201 L CA 1.057 55.861 54.840 -0.061 0.000 0.749 201 L CB -0.510 41.441 42.059 -0.180 0.000 0.893 201 L HN 0.194 nan 8.230 nan 0.000 0.432 202 F N -0.957 119.037 119.950 0.074 0.000 2.075 202 F HA -0.287 4.251 4.527 0.018 0.000 0.297 202 F C 2.569 178.537 175.800 0.279 0.000 1.113 202 F CA 1.736 59.845 58.000 0.182 0.000 1.218 202 F CB -0.921 38.233 39.000 0.257 0.000 0.984 202 F HN -0.002 nan 8.300 nan 0.000 0.472 203 Y N 0.874 121.362 120.300 0.313 0.000 2.128 203 Y HA -0.307 4.253 4.550 0.016 0.000 0.284 203 Y C 2.632 178.638 175.900 0.177 0.000 1.154 203 Y CA 2.232 60.455 58.100 0.205 0.000 1.149 203 Y CB -0.783 37.702 38.460 0.040 0.000 0.976 203 Y HN 0.150 nan 8.280 nan 0.000 0.505 204 Q N -0.645 119.213 119.800 0.096 0.000 2.084 204 Q HA -0.175 4.175 4.340 0.017 0.000 0.202 204 Q C 1.966 177.915 176.000 -0.084 0.000 0.978 204 Q CA 2.214 57.997 55.803 -0.033 0.000 0.844 204 Q CB -0.153 28.598 28.738 0.021 0.000 0.898 204 Q HN 0.542 nan 8.270 nan 0.000 0.426 205 T N 0.486 115.002 114.554 -0.063 0.000 2.746 205 T HA -0.139 4.221 4.350 0.017 0.000 0.267 205 T C 1.406 175.984 174.700 -0.204 0.000 1.039 205 T CA 1.483 63.488 62.100 -0.158 0.000 1.142 205 T CB -0.387 68.338 68.868 -0.238 0.000 0.866 205 T HN 0.246 nan 8.240 nan 0.000 0.444 206 F N 2.123 122.035 119.950 -0.064 0.000 2.146 206 F HA -0.088 4.450 4.527 0.018 0.000 0.298 206 F C 2.903 178.615 175.800 -0.148 0.000 1.096 206 F CA 1.195 59.135 58.000 -0.099 0.000 1.275 206 F CB -0.706 38.209 39.000 -0.141 0.000 1.008 206 F HN 0.157 nan 8.300 nan 0.000 0.480 207 S N 0.177 115.802 115.700 -0.126 0.000 2.423 207 S HA -0.136 4.344 4.470 0.017 0.000 0.231 207 S C 1.976 176.546 174.600 -0.051 0.000 1.014 207 S CA 0.882 58.995 58.200 -0.145 0.000 0.965 207 S CB -0.914 62.112 63.200 -0.288 0.000 0.785 207 S HN 0.361 nan 8.310 nan 0.000 0.495 208 L N 0.756 121.951 121.223 -0.048 0.000 2.056 208 L HA 0.018 4.368 4.340 0.017 0.000 0.207 208 L C 2.524 179.423 176.870 0.049 0.000 1.078 208 L CA 1.184 56.023 54.840 -0.001 0.000 0.749 208 L CB -0.565 41.478 42.059 -0.028 0.000 0.901 208 L HN 0.260 nan 8.230 nan 0.000 0.433 209 I N -0.785 119.806 120.570 0.035 0.000 2.264 209 I HA -0.286 3.894 4.170 0.017 0.000 0.248 209 I C 2.056 178.230 176.117 0.096 0.000 1.111 209 I CA 1.294 62.641 61.300 0.079 0.000 1.382 209 I CB -0.080 37.971 38.000 0.085 0.000 1.060 209 I HN 0.137 nan 8.210 nan 0.000 0.418 210 S N -0.048 115.701 115.700 0.081 0.000 2.575 210 S HA 0.075 4.555 4.470 0.017 0.000 0.215 210 S C 0.869 175.507 174.600 0.062 0.000 0.966 210 S CA -0.047 58.197 58.200 0.072 0.000 0.911 210 S CB -0.157 63.083 63.200 0.067 0.000 0.780 210 S HN 0.529 nan 8.310 nan 0.000 0.514 211 S N 0.630 116.373 115.700 0.073 0.000 2.606 211 S HA 0.247 4.727 4.470 0.017 0.000 0.257 211 S C 1.514 176.174 174.600 0.100 0.000 1.327 211 S CA -0.657 57.592 58.200 0.083 0.000 0.984 211 S CB 0.466 63.727 63.200 0.101 0.000 0.941 211 S HN -0.005 nan 8.310 nan 0.000 0.576 212 V N 0.762 120.738 119.914 0.103 0.000 2.332 212 V HA -0.158 3.972 4.120 0.017 0.000 0.248 212 V C 1.956 178.133 176.094 0.139 0.000 1.055 212 V CA 2.440 64.803 62.300 0.103 0.000 1.038 212 V CB -1.272 30.612 31.823 0.102 0.000 0.651 212 V HN 0.864 nan 8.190 nan 0.000 0.450 213 F N 1.617 121.605 119.950 0.065 0.000 2.134 213 F HA -0.081 4.456 4.527 0.016 0.000 0.299 213 F C 2.220 178.089 175.800 0.115 0.000 1.097 213 F CA 1.753 59.806 58.000 0.089 0.000 1.264 213 F CB -0.704 38.336 39.000 0.067 0.000 1.001 213 F HN 0.161 nan 8.300 nan 0.000 0.479 214 G N -0.601 108.297 108.800 0.164 0.000 2.442 214 G HA2 -0.266 3.704 3.960 0.017 0.000 0.219 214 G HA3 -0.266 3.704 3.960 0.017 0.000 0.219 214 G C 1.447 176.381 174.900 0.057 0.000 1.141 214 G CA 0.863 46.025 45.100 0.103 0.000 0.763 214 G HN 0.460 nan 8.290 nan 0.000 0.554 215 Q N -0.400 119.423 119.800 0.039 0.000 2.119 215 Q HA 0.130 4.480 4.340 0.017 0.000 0.201 215 Q C 2.609 178.598 176.000 -0.019 0.000 0.972 215 Q CA 0.556 56.373 55.803 0.024 0.000 0.847 215 Q CB -0.173 28.576 28.738 0.019 0.000 0.903 215 Q HN 0.424 nan 8.270 nan 0.000 0.433 216 L N -0.569 120.617 121.223 -0.061 0.000 2.093 216 L HA -0.150 4.200 4.340 0.017 0.000 0.208 216 L C 2.165 178.943 176.870 -0.153 0.000 1.085 216 L CA 0.762 55.556 54.840 -0.076 0.000 0.755 216 L CB -0.268 41.742 42.059 -0.081 0.000 0.904 216 L HN 0.195 nan 8.230 nan 0.000 0.435 217 F N 1.476 121.153 119.950 -0.455 0.000 2.202 217 F HA -0.265 4.272 4.527 0.016 0.000 0.301 217 F C 2.704 178.370 175.800 -0.224 0.000 1.082 217 F CA 1.818 59.581 58.000 -0.395 0.000 1.313 217 F CB -0.517 38.265 39.000 -0.363 0.000 1.024 217 F HN 0.178 nan 8.300 nan 0.000 0.495 218 E N 0.627 120.812 120.200 -0.025 0.000 2.118 218 E HA -0.195 4.165 4.350 0.017 0.000 0.195 218 E C 2.059 178.548 176.600 -0.186 0.000 0.992 218 E CA 1.943 58.322 56.400 -0.036 0.000 0.804 218 E CB -1.093 28.649 29.700 0.070 0.000 0.741 218 E HN 0.571 nan 8.360 nan 0.000 0.458 219 L N -2.592 118.425 121.223 -0.344 0.000 2.168 219 L HA 0.219 4.569 4.340 0.017 0.000 0.203 219 L C 1.420 177.777 176.870 -0.855 0.000 1.078 219 L CA 0.685 55.123 54.840 -0.669 0.000 0.780 219 L CB 0.126 41.578 42.059 -1.013 0.000 0.939 219 L HN 0.263 nan 8.230 nan 0.000 0.451 220 F N -0.282 119.469 119.950 -0.332 0.000 2.805 220 F HA 0.170 4.707 4.527 0.017 0.000 0.317 220 F C 2.085 177.419 175.800 -0.777 0.000 1.146 220 F CA -0.330 57.361 58.000 -0.514 0.000 1.265 220 F CB -0.469 38.139 39.000 -0.653 0.000 0.992 220 F HN -0.041 nan 8.300 nan 0.000 0.511 221 S N -0.384 114.846 115.700 -0.783 0.000 2.387 221 S HA -0.204 4.276 4.470 0.017 0.000 0.230 221 S C 2.491 176.697 174.600 -0.658 0.000 1.035 221 S CA 1.427 58.843 58.200 -1.307 0.000 1.014 221 S CB -1.147 61.238 63.200 -1.358 0.000 0.836 221 S HN 0.450 nan 8.310 nan 0.000 0.466 222 G N 1.764 110.360 108.800 -0.341 0.000 2.505 222 G HA2 -0.207 3.763 3.960 0.017 0.000 0.220 222 G HA3 -0.207 3.763 3.960 0.017 0.000 0.220 222 G C 1.277 176.211 174.900 0.056 0.000 1.145 222 G CA 1.215 46.255 45.100 -0.099 0.000 0.761 222 G HN 0.826 nan 8.290 nan 0.000 0.571 223 F N -0.916 119.080 119.950 0.077 0.000 2.653 223 F HA 0.449 4.986 4.527 0.017 0.000 0.288 223 F C 2.041 178.007 175.800 0.276 0.000 1.121 223 F CA -0.222 57.910 58.000 0.220 0.000 1.384 223 F CB -0.138 38.998 39.000 0.227 0.000 1.115 223 F HN -0.027 nan 8.300 nan 0.000 0.599 224 L N 2.167 123.201 121.223 -0.315 0.000 2.191 224 L HA -0.172 4.178 4.340 0.017 0.000 0.212 224 L C 2.682 179.701 176.870 0.247 0.000 1.103 224 L CA 1.682 56.599 54.840 0.127 0.000 0.769 224 L CB -0.716 41.324 42.059 -0.032 0.000 0.908 224 L HN 0.329 nan 8.230 nan 0.000 0.438 225 K N -0.847 119.533 120.400 -0.033 0.000 2.281 225 K HA -0.213 4.116 4.320 0.017 0.000 0.203 225 K C 1.579 178.177 176.600 -0.003 0.000 1.046 225 K CA 1.379 57.654 56.287 -0.020 0.000 0.938 225 K CB -0.328 32.090 32.500 -0.136 0.000 0.737 225 K HN 0.413 nan 8.250 nan 0.000 0.458 226 H N -0.633 118.467 119.070 0.049 0.000 2.555 226 H HA 0.123 4.689 4.556 0.017 0.000 0.269 226 H C -0.153 174.998 175.328 -0.295 0.000 0.988 226 H CA 0.412 56.347 56.048 -0.189 0.000 1.178 226 H CB -0.040 29.490 29.762 -0.386 0.000 1.373 226 H HN 0.103 nan 8.280 nan 0.000 0.588 227 F N 0.320 120.477 119.950 0.344 0.000 2.523 227 F HA 0.376 4.913 4.527 0.016 0.000 0.329 227 F C -1.809 174.167 175.800 0.295 0.000 1.061 227 F CA -3.031 55.146 58.000 0.296 0.000 0.967 227 F CB 0.682 39.867 39.000 0.308 0.000 1.218 227 F HN -0.198 nan 8.300 nan 0.000 0.480 228 P HA 0.402 nan 4.420 nan 0.000 0.269 228 P C -0.268 177.088 177.300 0.093 0.000 1.217 228 P CA 0.106 63.284 63.100 0.131 0.000 0.783 228 P CB 0.581 32.324 31.700 0.071 0.000 0.898 229 G N -0.971 107.722 108.800 -0.179 0.000 2.337 229 G HA2 0.311 4.281 3.960 0.017 0.000 0.298 229 G HA3 0.311 4.281 3.960 0.017 0.000 0.298 229 G C 0.432 175.031 174.900 -0.501 0.000 1.335 229 G CA -0.071 44.766 45.100 -0.438 0.000 0.875 229 G HN 0.376 nan 8.290 nan 0.000 0.579 230 A N -0.749 121.683 122.820 -0.646 0.000 1.978 230 A HA -0.032 4.298 4.320 0.017 0.000 0.220 230 A C 1.926 179.416 177.584 -0.157 0.000 1.170 230 A CA 2.687 54.560 52.037 -0.274 0.000 0.636 230 A CB -1.222 17.728 19.000 -0.083 0.000 0.810 230 A HN 1.652 nan 8.150 nan 0.000 0.448 231 H N -1.505 117.456 119.070 -0.182 0.000 2.422 231 H HA -0.040 4.526 4.556 0.016 0.000 0.298 231 H C 2.025 177.275 175.328 -0.129 0.000 1.098 231 H CA 1.359 57.220 56.048 -0.312 0.000 1.315 231 H CB -0.222 29.008 29.762 -0.887 0.000 1.382 231 H HN 0.445 nan 8.280 nan 0.000 0.523 232 R N 0.052 120.088 120.500 -0.773 0.000 2.090 232 R HA -0.098 4.252 4.340 0.017 0.000 0.228 232 R C 2.352 178.538 176.300 -0.191 0.000 1.110 232 R CA 1.245 57.090 56.100 -0.425 0.000 0.973 232 R CB -0.168 29.858 30.300 -0.458 0.000 0.869 232 R HN 0.362 nan 8.270 nan 0.000 0.440 233 Q N 1.116 120.791 119.800 -0.209 0.000 2.124 233 Q HA -0.096 4.254 4.340 0.017 0.000 0.202 233 Q C 1.976 177.905 176.000 -0.118 0.000 0.977 233 Q CA 1.435 57.155 55.803 -0.140 0.000 0.850 233 Q CB -0.162 28.492 28.738 -0.140 0.000 0.901 233 Q HN 0.085 nan 8.270 nan 0.000 0.429 234 V N 0.093 119.940 119.914 -0.113 0.000 2.343 234 V HA -0.258 3.872 4.120 0.017 0.000 0.247 234 V C 1.937 177.939 176.094 -0.153 0.000 1.051 234 V CA 2.068 64.297 62.300 -0.120 0.000 1.036 234 V CB -0.732 31.047 31.823 -0.073 0.000 0.654 234 V HN 0.507 nan 8.190 nan 0.000 0.451 235 Y N 0.951 121.146 120.300 -0.174 0.000 2.181 235 Y HA -0.261 4.299 4.550 0.017 0.000 0.288 235 Y C 2.652 178.438 175.900 -0.190 0.000 1.146 235 Y CA 2.333 60.351 58.100 -0.136 0.000 1.164 235 Y CB -0.067 38.381 38.460 -0.020 0.000 0.982 235 Y HN 0.142 nan 8.280 nan 0.000 0.515 236 K N 0.031 120.464 120.400 0.054 0.000 2.057 236 K HA -0.205 4.125 4.320 0.017 0.000 0.207 236 K C 1.697 178.202 176.600 -0.159 0.000 1.049 236 K CA 1.779 58.058 56.287 -0.014 0.000 0.931 236 K CB -0.133 32.354 32.500 -0.022 0.000 0.714 236 K HN 0.308 nan 8.250 nan 0.000 0.440 237 N N 0.954 119.522 118.700 -0.221 0.000 2.084 237 N HA -0.147 4.603 4.740 0.017 0.000 0.190 237 N C 1.805 177.049 175.510 -0.443 0.000 1.030 237 N CA 1.131 54.010 53.050 -0.286 0.000 0.849 237 N CB -0.295 38.033 38.487 -0.264 0.000 1.012 237 N HN 0.173 nan 8.380 nan 0.000 0.423 238 L N 0.995 121.831 121.223 -0.646 0.000 2.083 238 L HA -0.173 4.177 4.340 0.017 0.000 0.209 238 L C 2.417 178.684 176.870 -1.005 0.000 1.083 238 L CA 1.154 55.365 54.840 -1.048 0.000 0.752 238 L CB -0.387 40.624 42.059 -1.746 0.000 0.899 238 L HN 0.246 nan 8.230 nan 0.000 0.433 239 Q N -0.279 119.099 119.800 -0.704 0.000 2.050 239 Q HA -0.259 4.091 4.340 0.017 0.000 0.202 239 Q C 2.178 178.104 176.000 -0.123 0.000 0.980 239 Q CA 1.648 57.333 55.803 -0.196 0.000 0.840 239 Q CB -0.072 28.652 28.738 -0.023 0.000 0.898 239 Q HN 0.490 nan 8.270 nan 0.000 0.424 240 E N 0.348 120.453 120.200 -0.159 0.000 2.058 240 E HA -0.212 4.148 4.350 0.017 0.000 0.194 240 E C 1.987 178.527 176.600 -0.100 0.000 0.997 240 E CA 1.095 57.429 56.400 -0.110 0.000 0.801 240 E CB -0.094 29.529 29.700 -0.127 0.000 0.746 240 E HN 0.338 nan 8.360 nan 0.000 0.450 241 I N 1.019 121.470 120.570 -0.199 0.000 2.179 241 I HA -0.281 3.899 4.170 0.017 0.000 0.242 241 I C 2.321 178.435 176.117 -0.004 0.000 1.088 241 I CA 1.035 62.241 61.300 -0.157 0.000 1.357 241 I CB -0.314 37.447 38.000 -0.397 0.000 1.051 241 I HN 0.110 nan 8.210 nan 0.000 0.409 242 N N 0.984 119.669 118.700 -0.026 0.000 2.309 242 N HA -0.123 4.627 4.740 0.017 0.000 0.182 242 N C 1.755 177.320 175.510 0.092 0.000 1.018 242 N CA 1.335 54.443 53.050 0.097 0.000 0.876 242 N CB -0.039 38.574 38.487 0.209 0.000 0.972 242 N HN 0.345 nan 8.380 nan 0.000 0.434 243 A N -0.441 122.417 122.820 0.063 0.000 1.877 243 A HA -0.176 4.154 4.320 0.017 0.000 0.216 243 A C 2.150 179.782 177.584 0.079 0.000 1.186 243 A CA 1.367 53.444 52.037 0.066 0.000 0.620 243 A CB -1.238 17.792 19.000 0.049 0.000 0.822 243 A HN 0.534 nan 8.150 nan 0.000 0.443 244 Y N 0.356 120.659 120.300 0.006 0.000 2.128 244 Y HA -0.205 4.354 4.550 0.016 0.000 0.284 244 Y C 2.012 177.947 175.900 0.058 0.000 1.154 244 Y CA 1.736 59.837 58.100 0.003 0.000 1.149 244 Y CB -0.348 38.085 38.460 -0.044 0.000 0.976 244 Y HN 0.271 nan 8.280 nan 0.000 0.505 245 I N -0.156 120.405 120.570 -0.015 0.000 2.142 245 I HA -0.297 3.883 4.170 0.017 0.000 0.240 245 I C 2.697 178.809 176.117 -0.008 0.000 1.078 245 I CA 1.650 62.977 61.300 0.045 0.000 1.343 245 I CB -1.028 37.134 38.000 0.271 0.000 1.046 245 I HN 0.393 nan 8.210 nan 0.000 0.405 246 G N -0.471 108.348 108.800 0.032 0.000 2.469 246 G HA2 -0.330 3.640 3.960 0.017 0.000 0.220 246 G HA3 -0.330 3.640 3.960 0.017 0.000 0.220 246 G C 1.661 176.554 174.900 -0.012 0.000 1.136 246 G CA 1.027 46.143 45.100 0.027 0.000 0.759 246 G HN 0.446 nan 8.290 nan 0.000 0.562 247 H N 0.504 119.488 119.070 -0.144 0.000 2.357 247 H HA -0.032 4.534 4.556 0.016 0.000 0.301 247 H C 2.673 177.882 175.328 -0.198 0.000 1.082 247 H CA 1.701 57.659 56.048 -0.151 0.000 1.342 247 H CB -0.247 29.418 29.762 -0.163 0.000 1.389 247 H HN 0.367 nan 8.280 nan 0.000 0.511 248 S N -0.383 115.170 115.700 -0.245 0.000 2.387 248 S HA -0.060 4.420 4.470 0.017 0.000 0.226 248 S C 2.349 176.939 174.600 -0.017 0.000 1.026 248 S CA 0.988 59.020 58.200 -0.281 0.000 0.972 248 S CB -0.360 62.348 63.200 -0.819 0.000 0.814 248 S HN 0.245 nan 8.310 nan 0.000 0.477 249 V N 1.761 121.678 119.914 0.004 0.000 2.343 249 V HA -0.103 4.027 4.120 0.017 0.000 0.247 249 V C 2.640 178.789 176.094 0.091 0.000 1.051 249 V CA 2.162 64.523 62.300 0.101 0.000 1.036 249 V CB -0.806 31.080 31.823 0.105 0.000 0.654 249 V HN 0.510 nan 8.190 nan 0.000 0.451 250 E N 1.374 121.570 120.200 -0.006 0.000 2.077 250 E HA -0.194 4.165 4.350 0.017 0.000 0.193 250 E C 2.211 178.780 176.600 -0.050 0.000 0.989 250 E CA 2.188 58.561 56.400 -0.045 0.000 0.800 250 E CB -0.383 29.241 29.700 -0.127 0.000 0.746 250 E HN 0.550 nan 8.360 nan 0.000 0.452 251 K N -0.090 120.256 120.400 -0.090 0.000 2.097 251 K HA -0.165 4.165 4.320 0.017 0.000 0.206 251 K C 2.135 178.724 176.600 -0.019 0.000 1.049 251 K CA 1.868 58.109 56.287 -0.077 0.000 0.933 251 K CB -1.303 31.140 32.500 -0.094 0.000 0.717 251 K HN 0.441 nan 8.250 nan 0.000 0.442 252 H N -0.170 118.901 119.070 0.002 0.000 2.319 252 H HA 0.027 4.592 4.556 0.016 0.000 0.299 252 H C 2.441 177.800 175.328 0.052 0.000 1.092 252 H CA 1.931 58.014 56.048 0.058 0.000 1.302 252 H CB 0.102 29.938 29.762 0.124 0.000 1.373 252 H HN 0.434 nan 8.280 nan 0.000 0.497 253 R N 0.437 121.035 120.500 0.163 0.000 2.081 253 R HA -0.136 4.214 4.340 0.017 0.000 0.235 253 R C 2.062 178.394 176.300 0.053 0.000 1.131 253 R CA 1.634 57.793 56.100 0.099 0.000 0.960 253 R CB -0.078 30.264 30.300 0.070 0.000 0.856 253 R HN 0.536 nan 8.270 nan 0.000 0.436 254 E N -0.623 119.592 120.200 0.024 0.000 2.152 254 E HA -0.105 4.255 4.350 0.017 0.000 0.192 254 E C 1.345 177.945 176.600 0.000 0.000 0.983 254 E CA 1.560 57.961 56.400 0.001 0.000 0.818 254 E CB 0.179 29.866 29.700 -0.023 0.000 0.758 254 E HN 0.404 nan 8.360 nan 0.000 0.467 255 T N -1.170 113.381 114.554 -0.006 0.000 3.129 255 T HA 0.179 4.539 4.350 0.017 0.000 0.267 255 T C 0.378 175.080 174.700 0.003 0.000 1.018 255 T CA -0.533 61.557 62.100 -0.017 0.000 0.903 255 T CB -0.011 68.824 68.868 -0.055 0.000 1.067 255 T HN -0.101 nan 8.240 nan 0.000 0.549 256 L N 3.458 124.703 121.223 0.035 0.000 2.615 256 L HA 0.342 4.692 4.340 0.017 0.000 0.271 256 L C -0.375 176.523 176.870 0.046 0.000 1.183 256 L CA 0.300 55.178 54.840 0.062 0.000 0.933 256 L CB -0.007 42.105 42.059 0.087 0.000 1.199 256 L HN 0.198 nan 8.230 nan 0.000 0.487 257 D N 6.849 127.276 120.400 0.045 0.000 2.441 257 D HA 0.372 5.021 4.640 0.017 0.000 0.231 257 D C -1.978 174.348 176.300 0.045 0.000 1.073 257 D CA -2.216 51.806 54.000 0.036 0.000 0.850 257 D CB 1.799 42.613 40.800 0.024 0.000 1.062 257 D HN 0.300 nan 8.370 nan 0.000 0.524 258 P HA -0.139 nan 4.420 nan 0.000 0.218 258 P C 1.170 178.492 177.300 0.037 0.000 1.148 258 P CA 1.110 64.237 63.100 0.045 0.000 0.822 258 P CB 0.213 31.936 31.700 0.037 0.000 0.784 259 S N -1.651 114.065 115.700 0.028 0.000 2.522 259 S HA 0.188 4.668 4.470 0.017 0.000 0.227 259 S C 1.085 175.696 174.600 0.019 0.000 0.986 259 S CA 0.367 58.580 58.200 0.021 0.000 0.929 259 S CB -0.470 62.739 63.200 0.015 0.000 0.769 259 S HN 0.077 nan 8.310 nan 0.000 0.529 260 A N 2.509 125.344 122.820 0.026 0.000 3.127 260 A HA 0.589 4.918 4.320 0.017 0.000 0.319 260 A C -3.005 174.605 177.584 0.043 0.000 1.104 260 A CA -1.427 50.625 52.037 0.025 0.000 0.802 260 A CB 0.614 19.625 19.000 0.019 0.000 1.193 260 A HN 0.319 nan 8.150 nan 0.000 0.479 261 P HA 0.225 nan 4.420 nan 0.000 0.271 261 P C 0.327 177.678 177.300 0.084 0.000 1.220 261 P CA -0.038 63.112 63.100 0.084 0.000 0.768 261 P CB 1.147 32.898 31.700 0.084 0.000 0.848 262 R N 1.561 122.141 120.500 0.133 0.000 2.140 262 R HA 0.083 4.433 4.340 0.017 0.000 0.213 262 R C 0.152 176.555 176.300 0.172 0.000 1.059 262 R CA 0.926 57.109 56.100 0.138 0.000 1.000 262 R CB 0.026 30.425 30.300 0.166 0.000 0.910 262 R HN 0.643 nan 8.270 nan 0.000 0.455 263 D N -2.884 117.651 120.400 0.224 0.000 2.738 263 D HA -0.009 4.641 4.640 0.017 0.000 0.308 263 D C 0.129 176.597 176.300 0.281 0.000 1.311 263 D CA -0.786 53.378 54.000 0.275 0.000 0.799 263 D CB 0.148 41.129 40.800 0.301 0.000 1.332 263 D HN -0.258 nan 8.370 nan 0.000 0.441 264 L N 0.136 121.533 121.223 0.290 0.000 2.043 264 L HA -0.114 4.236 4.340 0.017 0.000 0.212 264 L C 1.978 179.016 176.870 0.281 0.000 1.075 264 L CA 1.621 56.624 54.840 0.271 0.000 0.752 264 L CB -0.528 41.606 42.059 0.124 0.000 0.891 264 L HN 0.545 nan 8.230 nan 0.000 0.432 265 I N -0.629 120.002 120.570 0.102 0.000 2.208 265 I HA -0.301 3.879 4.170 0.017 0.000 0.245 265 I C 2.129 178.378 176.117 0.220 0.000 1.097 265 I CA 1.419 62.754 61.300 0.059 0.000 1.363 265 I CB -1.224 36.671 38.000 -0.174 0.000 1.051 265 I HN 0.304 nan 8.210 nan 0.000 0.413 266 D N 0.519 121.078 120.400 0.265 0.000 2.144 266 D HA -0.137 4.513 4.640 0.017 0.000 0.199 266 D C 2.180 178.631 176.300 0.252 0.000 0.984 266 D CA 1.452 55.617 54.000 0.275 0.000 0.834 266 D CB -0.199 40.759 40.800 0.264 0.000 0.955 266 D HN 0.254 nan 8.370 nan 0.000 0.465 267 T N -0.225 114.489 114.554 0.267 0.000 2.684 267 T HA -0.183 4.177 4.350 0.017 0.000 0.267 267 T C 1.806 176.699 174.700 0.322 0.000 1.036 267 T CA 1.029 63.281 62.100 0.253 0.000 1.148 267 T CB -0.507 68.485 68.868 0.208 0.000 0.863 267 T HN 0.249 nan 8.240 nan 0.000 0.436 268 Y N 1.057 121.511 120.300 0.256 0.000 2.163 268 Y HA -0.011 4.549 4.550 0.016 0.000 0.288 268 Y C 2.320 178.348 175.900 0.213 0.000 1.136 268 Y CA 0.842 59.101 58.100 0.265 0.000 1.147 268 Y CB -0.399 38.181 38.460 0.201 0.000 0.987 268 Y HN 0.101 nan 8.280 nan 0.000 0.509 269 L N -0.604 120.828 121.223 0.349 0.000 2.012 269 L HA -0.293 4.057 4.340 0.017 0.000 0.210 269 L C 2.248 179.230 176.870 0.186 0.000 1.073 269 L CA 1.390 56.370 54.840 0.233 0.000 0.748 269 L CB -0.746 41.434 42.059 0.202 0.000 0.891 269 L HN 0.294 nan 8.230 nan 0.000 0.431 270 L N -1.227 120.111 121.223 0.192 0.000 2.056 270 L HA -0.247 4.103 4.340 0.017 0.000 0.207 270 L C 2.646 179.597 176.870 0.134 0.000 1.078 270 L CA 1.314 56.240 54.840 0.144 0.000 0.749 270 L CB -0.669 41.473 42.059 0.138 0.000 0.901 270 L HN 0.348 nan 8.230 nan 0.000 0.433 271 H N 0.010 119.125 119.070 0.076 0.000 2.267 271 H HA -0.280 4.287 4.556 0.017 0.000 0.297 271 H C 2.361 177.673 175.328 -0.026 0.000 1.080 271 H CA 2.325 58.386 56.048 0.022 0.000 1.278 271 H CB -0.110 29.655 29.762 0.005 0.000 1.365 271 H HN 0.117 nan 8.280 nan 0.000 0.489 272 M N 0.269 119.869 119.600 -0.000 0.000 2.108 272 M HA -0.236 4.254 4.480 0.017 0.000 0.257 272 M C 1.979 178.236 176.300 -0.072 0.000 1.071 272 M CA 2.288 57.557 55.300 -0.051 0.000 1.093 272 M CB -0.060 32.596 32.600 0.094 0.000 1.345 272 M HN 0.512 nan 8.290 nan 0.000 0.403 273 E N -0.531 119.659 120.200 -0.016 0.000 2.150 273 E HA -0.181 4.179 4.350 0.017 0.000 0.193 273 E C 1.918 178.492 176.600 -0.044 0.000 0.985 273 E CA 1.016 57.408 56.400 -0.013 0.000 0.814 273 E CB 0.069 29.782 29.700 0.022 0.000 0.752 273 E HN 0.552 nan 8.360 nan 0.000 0.466 274 K N 0.092 120.448 120.400 -0.073 0.000 2.137 274 K HA -0.058 4.272 4.320 0.017 0.000 0.202 274 K C 2.106 178.631 176.600 -0.125 0.000 1.052 274 K CA 1.252 57.492 56.287 -0.078 0.000 0.961 274 K CB 0.217 32.685 32.500 -0.053 0.000 0.741 274 K HN 0.058 nan 8.250 nan 0.000 0.452 275 E N 1.753 121.817 120.200 -0.228 0.000 2.479 275 E HA -0.039 4.321 4.350 0.017 0.000 0.193 275 E C 1.452 177.956 176.600 -0.159 0.000 1.049 275 E CA 0.191 56.449 56.400 -0.237 0.000 0.870 275 E CB -0.198 29.245 29.700 -0.429 0.000 0.944 275 E HN 0.242 nan 8.360 nan 0.000 0.492 276 K N 0.242 120.572 120.400 -0.117 0.000 2.097 276 K HA -0.136 4.194 4.320 0.017 0.000 0.206 276 K C 2.407 178.977 176.600 -0.051 0.000 1.049 276 K CA 1.510 57.756 56.287 -0.068 0.000 0.933 276 K CB -0.167 32.309 32.500 -0.040 0.000 0.717 276 K HN 0.328 nan 8.250 nan 0.000 0.442 277 S N 1.251 116.920 115.700 -0.051 0.000 2.368 277 S HA -0.125 4.355 4.470 0.017 0.000 0.225 277 S C 0.304 174.880 174.600 -0.040 0.000 1.030 277 S CA 1.194 59.371 58.200 -0.038 0.000 0.999 277 S CB -0.379 62.800 63.200 -0.034 0.000 0.844 277 S HN 0.579 nan 8.310 nan 0.000 0.459 278 N N 0.682 119.350 118.700 -0.053 0.000 2.392 278 N HA 0.501 5.251 4.740 0.017 0.000 0.283 278 N C -0.953 174.520 175.510 -0.063 0.000 1.003 278 N CA -0.373 52.646 53.050 -0.051 0.000 0.892 278 N CB 1.431 39.889 38.487 -0.049 0.000 1.193 278 N HN 0.112 nan 8.380 nan 0.000 0.487 279 A N 1.005 123.791 122.820 -0.057 0.000 3.056 279 A HA 0.542 4.872 4.320 0.017 0.000 0.274 279 A C 0.027 177.556 177.584 -0.092 0.000 1.661 279 A CA -0.033 51.961 52.037 -0.072 0.000 1.363 279 A CB -1.716 17.250 19.000 -0.056 0.000 1.139 279 A HN 1.078 nan 8.150 nan 0.000 0.598 280 H N -1.626 117.383 119.070 -0.101 0.000 2.961 280 H HA 0.642 5.208 4.556 0.017 0.000 0.371 280 H C 0.783 176.042 175.328 -0.114 0.000 1.190 280 H CA -0.343 55.643 56.048 -0.103 0.000 1.138 280 H CB 0.701 30.424 29.762 -0.064 0.000 1.816 280 H HN 0.920 nan 8.280 nan 0.000 0.551 281 S N -0.095 115.537 115.700 -0.113 0.000 3.405 281 S HA -0.188 4.292 4.470 0.017 0.000 0.378 281 S C 0.486 175.027 174.600 -0.098 0.000 1.012 281 S CA 1.161 59.322 58.200 -0.064 0.000 1.144 281 S CB -1.415 61.778 63.200 -0.013 0.000 0.903 281 S HN 0.905 nan 8.310 nan 0.000 0.470 282 E N -0.576 119.480 120.200 -0.241 0.000 2.415 282 E HA 0.291 4.651 4.350 0.017 0.000 0.263 282 E C 1.400 177.969 176.600 -0.051 0.000 0.995 282 E CA 0.467 56.752 56.400 -0.190 0.000 0.915 282 E CB 0.122 29.675 29.700 -0.246 0.000 0.951 282 E HN 0.413 nan 8.360 nan 0.000 0.449 283 F N 2.769 122.729 119.950 0.016 0.000 2.171 283 F HA -0.119 4.418 4.527 0.017 0.000 0.300 283 F C 2.316 178.221 175.800 0.174 0.000 1.090 283 F CA 1.478 59.542 58.000 0.106 0.000 1.293 283 F CB -0.480 38.554 39.000 0.058 0.000 1.013 283 F HN 0.564 nan 8.300 nan 0.000 0.486 284 S N -0.913 114.852 115.700 0.110 0.000 2.603 284 S HA -0.020 4.460 4.470 0.017 0.000 0.229 284 S C 1.420 176.156 174.600 0.226 0.000 0.972 284 S CA 0.750 59.030 58.200 0.132 0.000 0.935 284 S CB -1.006 62.234 63.200 0.067 0.000 0.769 284 S HN 0.911 nan 8.310 nan 0.000 0.536 285 H N 0.250 119.383 119.070 0.106 0.000 2.537 285 H HA 0.518 5.084 4.556 0.016 0.000 0.295 285 H C 0.105 175.568 175.328 0.224 0.000 1.054 285 H CA -0.438 55.693 56.048 0.138 0.000 1.156 285 H CB -0.612 29.189 29.762 0.066 0.000 1.468 285 H HN 0.246 nan 8.280 nan 0.000 0.551 286 Q N 0.353 120.401 119.800 0.413 0.000 2.458 286 Q HA 0.395 4.745 4.340 0.017 0.000 0.282 286 Q C -0.920 175.274 176.000 0.324 0.000 1.106 286 Q CA -0.934 55.092 55.803 0.372 0.000 0.814 286 Q CB 2.102 31.008 28.738 0.280 0.000 1.425 286 Q HN 0.327 nan 8.270 nan 0.000 0.437 287 N N 2.037 120.898 118.700 0.268 0.000 2.504 287 N HA 0.162 4.912 4.740 0.017 0.000 0.280 287 N C -0.150 175.414 175.510 0.090 0.000 1.052 287 N CA -0.020 53.049 53.050 0.031 0.000 0.887 287 N CB 1.270 39.553 38.487 -0.339 0.000 1.323 287 N HN 0.717 nan 8.380 nan 0.000 0.509 288 L N 3.501 124.769 121.223 0.075 0.000 2.046 288 L HA -0.154 4.196 4.340 0.017 0.000 0.208 288 L C 1.256 178.155 176.870 0.049 0.000 1.077 288 L CA 1.398 56.270 54.840 0.053 0.000 0.747 288 L CB -0.037 42.057 42.059 0.057 0.000 0.896 288 L HN 0.523 nan 8.230 nan 0.000 0.432 289 N N 0.023 118.760 118.700 0.062 0.000 2.106 289 N HA -0.145 4.605 4.740 0.017 0.000 0.188 289 N C 1.894 177.507 175.510 0.171 0.000 1.029 289 N CA 1.150 54.264 53.050 0.106 0.000 0.848 289 N CB -0.353 38.178 38.487 0.074 0.000 1.007 289 N HN 0.311 nan 8.380 nan 0.000 0.423 290 L N 0.856 122.167 121.223 0.146 0.000 2.056 290 L HA -0.119 4.231 4.340 0.017 0.000 0.207 290 L C 1.733 178.825 176.870 0.369 0.000 1.078 290 L CA 0.830 55.837 54.840 0.278 0.000 0.749 290 L CB -0.462 41.716 42.059 0.198 0.000 0.901 290 L HN 0.122 nan 8.230 nan 0.000 0.433 291 N N -0.294 118.559 118.700 0.254 0.000 2.061 291 N HA -0.170 4.580 4.740 0.017 0.000 0.193 291 N C 1.823 177.428 175.510 0.157 0.000 1.030 291 N CA 2.035 55.202 53.050 0.195 0.000 0.856 291 N CB -0.666 37.884 38.487 0.105 0.000 1.023 291 N HN 0.259 nan 8.380 nan 0.000 0.424 292 T N 1.412 116.045 114.554 0.133 0.000 2.737 292 T HA -0.063 4.297 4.350 0.017 0.000 0.265 292 T C 1.979 176.927 174.700 0.413 0.000 1.038 292 T CA 0.535 62.727 62.100 0.153 0.000 1.144 292 T CB -0.404 68.549 68.868 0.142 0.000 0.866 292 T HN 0.089 nan 8.240 nan 0.000 0.434 293 L N 2.009 123.526 121.223 0.491 0.000 2.042 293 L HA -0.109 4.241 4.340 0.017 0.000 0.210 293 L C 2.612 179.908 176.870 0.710 0.000 1.076 293 L CA 2.208 57.439 54.840 0.653 0.000 0.749 293 L CB -0.892 41.511 42.059 0.574 0.000 0.893 293 L HN 0.353 nan 8.230 nan 0.000 0.432 294 S N -1.160 114.886 115.700 0.576 0.000 2.402 294 S HA -0.166 4.314 4.470 0.017 0.000 0.229 294 S C 2.046 176.827 174.600 0.302 0.000 1.021 294 S CA 1.264 59.697 58.200 0.389 0.000 0.974 294 S CB -0.829 62.450 63.200 0.132 0.000 0.800 294 S HN 0.512 nan 8.310 nan 0.000 0.484 295 L N -0.585 120.764 121.223 0.209 0.000 2.017 295 L HA -0.041 4.309 4.340 0.017 0.000 0.208 295 L C 2.538 179.414 176.870 0.009 0.000 1.073 295 L CA 1.674 56.531 54.840 0.029 0.000 0.745 295 L CB -0.746 41.226 42.059 -0.145 0.000 0.894 295 L HN 0.272 nan 8.230 nan 0.000 0.432 296 F N -0.618 119.441 119.950 0.182 0.000 2.126 296 F HA -0.284 4.254 4.527 0.017 0.000 0.299 296 F C 2.399 178.230 175.800 0.051 0.000 1.096 296 F CA 1.743 59.809 58.000 0.110 0.000 1.255 296 F CB -0.763 38.374 39.000 0.230 0.000 0.997 296 F HN -0.063 nan 8.300 nan 0.000 0.479 297 F N 0.551 120.736 119.950 0.392 0.000 2.069 297 F HA -0.201 4.336 4.527 0.017 0.000 0.298 297 F C 2.349 178.339 175.800 0.317 0.000 1.113 297 F CA 1.637 59.941 58.000 0.507 0.000 1.214 297 F CB -0.602 38.750 39.000 0.587 0.000 0.978 297 F HN -0.090 nan 8.300 nan 0.000 0.474 298 A N -0.168 122.879 122.820 0.378 0.000 1.930 298 A HA 0.024 4.354 4.320 0.017 0.000 0.217 298 A C 2.341 179.930 177.584 0.008 0.000 1.175 298 A CA 1.450 53.581 52.037 0.158 0.000 0.627 298 A CB -1.657 17.406 19.000 0.106 0.000 0.815 298 A HN 0.508 nan 8.150 nan 0.000 0.443 299 G N -1.101 107.694 108.800 -0.008 0.000 2.551 299 G HA2 0.042 4.011 3.960 0.017 0.000 0.216 299 G HA3 0.042 4.011 3.960 0.017 0.000 0.216 299 G C 1.564 176.420 174.900 -0.074 0.000 1.137 299 G CA 1.717 46.782 45.100 -0.058 0.000 0.798 299 G HN 0.628 nan 8.290 nan 0.000 0.536 300 T N -2.018 112.454 114.554 -0.136 0.000 2.988 300 T HA 0.131 4.491 4.350 0.017 0.000 0.240 300 T C 1.910 176.477 174.700 -0.222 0.000 1.014 300 T CA 0.793 62.802 62.100 -0.151 0.000 1.155 300 T CB 0.053 68.781 68.868 -0.233 0.000 0.872 300 T HN 0.071 nan 8.240 nan 0.000 0.440 301 E N 1.356 121.297 120.200 -0.431 0.000 2.033 301 E HA -0.017 4.343 4.350 0.017 0.000 0.189 301 E C 2.574 178.964 176.600 -0.350 0.000 0.979 301 E CA 1.503 57.573 56.400 -0.550 0.000 0.802 301 E CB -0.774 28.131 29.700 -1.324 0.000 0.763 301 E HN 0.523 nan 8.360 nan 0.000 0.449 302 T N 1.380 115.745 114.554 -0.315 0.000 2.699 302 T HA -0.141 4.219 4.350 0.017 0.000 0.268 302 T C 2.003 176.654 174.700 -0.083 0.000 1.036 302 T CA 2.001 64.002 62.100 -0.164 0.000 1.147 302 T CB -0.497 68.293 68.868 -0.129 0.000 0.862 302 T HN 0.167 nan 8.240 nan 0.000 0.446 303 T N 2.294 116.816 114.554 -0.054 0.000 2.708 303 T HA -0.127 4.233 4.350 0.017 0.000 0.266 303 T C 2.531 177.227 174.700 -0.006 0.000 1.037 303 T CA 1.646 63.752 62.100 0.010 0.000 1.146 303 T CB -0.544 68.363 68.868 0.065 0.000 0.865 303 T HN 0.641 nan 8.240 nan 0.000 0.435 304 S N 1.200 116.880 115.700 -0.032 0.000 2.399 304 S HA -0.129 4.351 4.470 0.017 0.000 0.231 304 S C 2.124 176.714 174.600 -0.016 0.000 1.022 304 S CA 1.479 59.661 58.200 -0.031 0.000 0.983 304 S CB -1.054 62.138 63.200 -0.014 0.000 0.803 304 S HN 0.424 nan 8.310 nan 0.000 0.480 305 T N 1.956 116.502 114.554 -0.012 0.000 2.904 305 T HA -0.016 4.344 4.350 0.017 0.000 0.267 305 T C 1.891 176.659 174.700 0.113 0.000 1.059 305 T CA 1.681 63.812 62.100 0.050 0.000 1.137 305 T CB -0.745 68.143 68.868 0.032 0.000 0.879 305 T HN 0.577 nan 8.240 nan 0.000 0.467 306 T N 2.475 117.062 114.554 0.055 0.000 2.746 306 T HA 0.054 4.413 4.350 0.017 0.000 0.267 306 T C 1.954 176.682 174.700 0.046 0.000 1.039 306 T CA 0.837 62.974 62.100 0.061 0.000 1.142 306 T CB -0.392 68.481 68.868 0.008 0.000 0.866 306 T HN 0.256 nan 8.240 nan 0.000 0.444 307 L N 0.291 121.482 121.223 -0.053 0.000 2.046 307 L HA -0.082 4.268 4.340 0.017 0.000 0.208 307 L C 2.993 179.801 176.870 -0.103 0.000 1.077 307 L CA 1.352 56.061 54.840 -0.217 0.000 0.747 307 L CB -0.446 41.227 42.059 -0.642 0.000 0.896 307 L HN 0.138 nan 8.230 nan 0.000 0.432 308 R N -1.217 119.304 120.500 0.034 0.000 2.073 308 R HA -0.185 4.165 4.340 0.017 0.000 0.234 308 R C 2.340 178.863 176.300 0.371 0.000 1.134 308 R CA 1.547 57.869 56.100 0.369 0.000 0.952 308 R CB -0.486 29.984 30.300 0.282 0.000 0.850 308 R HN 0.239 nan 8.270 nan 0.000 0.433 309 Y N 0.511 120.916 120.300 0.175 0.000 2.181 309 Y HA -0.125 4.434 4.550 0.016 0.000 0.288 309 Y C 2.503 178.408 175.900 0.009 0.000 1.146 309 Y CA 1.546 59.699 58.100 0.089 0.000 1.164 309 Y CB -0.824 37.684 38.460 0.079 0.000 0.982 309 Y HN 0.143 nan 8.280 nan 0.000 0.515 310 G N -1.339 107.573 108.800 0.187 0.000 2.418 310 G HA2 -0.267 3.703 3.960 0.017 0.000 0.217 310 G HA3 -0.267 3.703 3.960 0.017 0.000 0.217 310 G C 1.537 176.436 174.900 -0.002 0.000 1.158 310 G CA 0.832 45.942 45.100 0.017 0.000 0.771 310 G HN 0.367 nan 8.290 nan 0.000 0.545 311 F N -0.108 119.967 119.950 0.208 0.000 2.234 311 F HA 0.090 4.625 4.527 0.015 0.000 0.299 311 F C 2.369 178.141 175.800 -0.047 0.000 1.087 311 F CA 0.511 58.647 58.000 0.227 0.000 1.340 311 F CB -0.221 39.062 39.000 0.470 0.000 1.031 311 F HN 0.110 nan 8.300 nan 0.000 0.500 312 L N 0.063 121.200 121.223 -0.144 0.000 2.046 312 L HA -0.165 4.185 4.340 0.017 0.000 0.208 312 L C 2.046 178.725 176.870 -0.318 0.000 1.077 312 L CA 1.720 56.221 54.840 -0.565 0.000 0.747 312 L CB -0.808 40.842 42.059 -0.682 0.000 0.896 312 L HN 0.103 nan 8.230 nan 0.000 0.432 313 L N -1.333 119.742 121.223 -0.247 0.000 2.079 313 L HA -0.243 4.107 4.340 0.017 0.000 0.210 313 L C 2.464 179.176 176.870 -0.262 0.000 1.081 313 L CA 1.137 55.737 54.840 -0.400 0.000 0.752 313 L CB -0.515 41.082 42.059 -0.770 0.000 0.896 313 L HN 0.321 nan 8.230 nan 0.000 0.433 314 M N -0.943 118.575 119.600 -0.137 0.000 2.296 314 M HA -0.141 4.349 4.480 0.017 0.000 0.265 314 M C 2.268 178.551 176.300 -0.029 0.000 1.064 314 M CA 1.525 56.817 55.300 -0.014 0.000 1.109 314 M CB -0.736 31.865 32.600 0.002 0.000 1.396 314 M HN 0.297 nan 8.290 nan 0.000 0.430 315 L N -0.325 120.840 121.223 -0.096 0.000 2.109 315 L HA -0.166 4.184 4.340 0.017 0.000 0.207 315 L C 2.583 179.322 176.870 -0.218 0.000 1.086 315 L CA 1.061 55.824 54.840 -0.128 0.000 0.760 315 L CB -0.483 41.480 42.059 -0.160 0.000 0.910 315 L HN 0.297 nan 8.230 nan 0.000 0.437 316 K N -0.258 119.932 120.400 -0.351 0.000 2.167 316 K HA -0.105 4.225 4.320 0.017 0.000 0.203 316 K C -0.083 176.028 176.600 -0.814 0.000 1.052 316 K CA 0.929 56.846 56.287 -0.618 0.000 0.956 316 K CB 0.240 32.251 32.500 -0.815 0.000 0.735 316 K HN 0.193 nan 8.250 nan 0.000 0.451 317 Y N 0.500 120.734 120.300 -0.110 0.000 2.747 317 Y HA 0.239 4.798 4.550 0.016 0.000 0.362 317 Y C -1.956 173.943 175.900 -0.003 0.000 1.026 317 Y CA -2.153 55.920 58.100 -0.045 0.000 1.135 317 Y CB 1.280 39.777 38.460 0.062 0.000 1.175 317 Y HN 0.120 nan 8.280 nan 0.000 0.643 318 P HA -0.198 nan 4.420 nan 0.000 0.220 318 P C 0.971 178.403 177.300 0.221 0.000 1.148 318 P CA 1.676 64.827 63.100 0.085 0.000 0.803 318 P CB 0.405 32.125 31.700 0.033 0.000 0.782 319 H N -0.478 118.668 119.070 0.128 0.000 2.456 319 H HA -0.038 4.528 4.556 0.016 0.000 0.296 319 H C 2.090 177.509 175.328 0.152 0.000 1.079 319 H CA 0.455 56.571 56.048 0.113 0.000 1.322 319 H CB -1.407 28.414 29.762 0.099 0.000 1.388 319 H HN -0.023 nan 8.280 nan 0.000 0.538 320 V N 0.915 121.036 119.914 0.344 0.000 2.261 320 V HA -0.239 3.891 4.120 0.017 0.000 0.246 320 V C 2.717 179.017 176.094 0.342 0.000 1.047 320 V CA 1.712 64.241 62.300 0.383 0.000 1.015 320 V CB -1.110 30.976 31.823 0.438 0.000 0.642 320 V HN 0.516 nan 8.190 nan 0.000 0.446 321 A N -0.403 122.570 122.820 0.255 0.000 1.940 321 A HA -0.277 4.053 4.320 0.017 0.000 0.219 321 A C 2.128 179.818 177.584 0.177 0.000 1.176 321 A CA 2.059 54.203 52.037 0.178 0.000 0.631 321 A CB -0.526 18.539 19.000 0.108 0.000 0.814 321 A HN 0.660 nan 8.150 nan 0.000 0.446 322 E N -0.526 119.778 120.200 0.175 0.000 2.085 322 E HA -0.219 4.141 4.350 0.017 0.000 0.194 322 E C 2.290 178.968 176.600 0.130 0.000 0.994 322 E CA 1.455 57.947 56.400 0.152 0.000 0.801 322 E CB -0.171 29.597 29.700 0.113 0.000 0.743 322 E HN 0.583 nan 8.360 nan 0.000 0.453 323 R N 0.259 120.805 120.500 0.076 0.000 2.092 323 R HA -0.083 4.267 4.340 0.017 0.000 0.231 323 R C 2.395 178.697 176.300 0.002 0.000 1.119 323 R CA 0.828 56.866 56.100 -0.103 0.000 0.970 323 R CB -0.304 29.718 30.300 -0.463 0.000 0.864 323 R HN 0.027 nan 8.270 nan 0.000 0.440 324 V N 0.203 120.261 119.914 0.240 0.000 2.343 324 V HA -0.286 3.844 4.120 0.017 0.000 0.247 324 V C 1.905 178.070 176.094 0.118 0.000 1.051 324 V CA 1.767 64.229 62.300 0.269 0.000 1.036 324 V CB -0.585 31.389 31.823 0.252 0.000 0.654 324 V HN 0.302 nan 8.190 nan 0.000 0.451 325 Y N 1.376 121.688 120.300 0.021 0.000 2.165 325 Y HA -0.266 4.297 4.550 0.021 0.000 0.286 325 Y C 2.670 178.565 175.900 -0.008 0.000 1.155 325 Y CA 1.830 59.928 58.100 -0.005 0.000 1.164 325 Y CB -0.299 38.160 38.460 -0.002 0.000 0.978 325 Y HN 0.125 nan 8.280 nan 0.000 0.513 326 R N 0.007 120.411 120.500 -0.160 0.000 2.091 326 R HA -0.204 4.146 4.340 0.017 0.000 0.238 326 R C 2.332 178.502 176.300 -0.217 0.000 1.136 326 R CA 1.797 57.766 56.100 -0.218 0.000 0.959 326 R CB -0.383 29.855 30.300 -0.103 0.000 0.856 326 R HN 0.466 nan 8.270 nan 0.000 0.437 327 E N 0.706 120.830 120.200 -0.127 0.000 2.077 327 E HA -0.172 4.188 4.350 0.017 0.000 0.193 327 E C 1.914 178.457 176.600 -0.096 0.000 0.989 327 E CA 1.045 57.404 56.400 -0.067 0.000 0.800 327 E CB 0.011 29.736 29.700 0.041 0.000 0.746 327 E HN 0.274 nan 8.360 nan 0.000 0.452 328 I N 0.856 121.339 120.570 -0.145 0.000 2.163 328 I HA -0.286 3.894 4.170 0.017 0.000 0.243 328 I C 2.606 178.579 176.117 -0.240 0.000 1.085 328 I CA 1.412 62.618 61.300 -0.156 0.000 1.347 328 I CB -0.320 37.590 38.000 -0.150 0.000 1.044 328 I HN 0.229 nan 8.210 nan 0.000 0.408 329 E N 0.674 120.596 120.200 -0.463 0.000 2.051 329 E HA -0.333 4.027 4.350 0.017 0.000 0.192 329 E C 2.168 178.646 176.600 -0.203 0.000 0.991 329 E CA 1.610 57.764 56.400 -0.410 0.000 0.799 329 E CB 0.008 29.361 29.700 -0.577 0.000 0.748 329 E HN 0.368 nan 8.360 nan 0.000 0.449 330 Q N -0.037 119.663 119.800 -0.168 0.000 2.046 330 Q HA -0.116 4.234 4.340 0.017 0.000 0.200 330 Q C 1.996 177.964 176.000 -0.053 0.000 0.975 330 Q CA 2.033 57.782 55.803 -0.092 0.000 0.836 330 Q CB 0.013 28.703 28.738 -0.079 0.000 0.896 330 Q HN 0.232 nan 8.270 nan 0.000 0.428 331 V N -0.324 119.566 119.914 -0.040 0.000 2.599 331 V HA -0.024 4.106 4.120 0.017 0.000 0.245 331 V C 1.931 178.033 176.094 0.013 0.000 1.046 331 V CA 1.329 63.630 62.300 0.001 0.000 1.065 331 V CB -0.122 31.717 31.823 0.028 0.000 0.703 331 V HN 0.368 nan 8.190 nan 0.000 0.464 332 I N -1.234 119.332 120.570 -0.006 0.000 3.300 332 I HA 0.495 4.675 4.170 0.017 0.000 0.279 332 I C 1.277 177.383 176.117 -0.020 0.000 1.172 332 I CA 0.889 62.195 61.300 0.011 0.000 1.431 332 I CB 0.107 38.119 38.000 0.021 0.000 1.240 332 I HN 0.440 nan 8.210 nan 0.000 0.453 333 G N 2.185 110.943 108.800 -0.071 0.000 2.728 333 G HA2 -0.159 3.811 3.960 0.017 0.000 0.294 333 G HA3 -0.159 3.811 3.960 0.017 0.000 0.294 333 G C -2.379 172.434 174.900 -0.144 0.000 1.342 333 G CA -0.161 44.870 45.100 -0.116 0.000 0.866 333 G HN 0.118 nan 8.290 nan 0.000 0.534 334 P HA 0.146 nan 4.420 nan 0.000 0.257 334 P C 0.714 177.862 177.300 -0.254 0.000 1.241 334 P CA 1.108 64.036 63.100 -0.287 0.000 0.816 334 P CB 0.200 31.662 31.700 -0.397 0.000 1.150 335 H N 0.135 119.219 119.070 0.024 0.000 2.460 335 H HA 0.176 4.734 4.556 0.004 0.000 0.297 335 H C 1.274 176.619 175.328 0.028 0.000 1.023 335 H CA 0.280 56.341 56.048 0.022 0.000 1.321 335 H CB 0.107 29.880 29.762 0.018 0.000 1.455 335 H HN 0.194 nan 8.280 nan 0.000 0.539 336 R N 2.813 123.389 120.500 0.127 0.000 2.457 336 R HA 0.334 4.684 4.340 0.017 0.000 0.284 336 R C -2.695 173.650 176.300 0.076 0.000 1.024 336 R CA -1.719 54.437 56.100 0.094 0.000 1.025 336 R CB 0.646 30.996 30.300 0.083 0.000 1.063 336 R HN -0.068 nan 8.270 nan 0.000 0.493 337 P HA 0.203 nan 4.420 nan 0.000 0.275 337 P C -2.536 174.817 177.300 0.087 0.000 1.227 337 P CA -1.568 61.579 63.100 0.079 0.000 0.781 337 P CB 0.405 32.152 31.700 0.080 0.000 0.906 338 P HA 0.121 nan 4.420 nan 0.000 0.267 338 P C -0.262 177.140 177.300 0.169 0.000 1.200 338 P CA 0.658 63.832 63.100 0.123 0.000 0.772 338 P CB 0.455 32.183 31.700 0.047 0.000 0.855 339 E N 0.773 121.118 120.200 0.241 0.000 2.393 339 E HA 0.223 4.583 4.350 0.017 0.000 0.273 339 E C 0.228 176.972 176.600 0.239 0.000 0.918 339 E CA -0.820 55.701 56.400 0.202 0.000 0.773 339 E CB 1.094 30.886 29.700 0.153 0.000 1.275 339 E HN 0.099 nan 8.360 nan 0.000 0.451 340 L N 0.994 122.296 121.223 0.130 0.000 2.201 340 L HA -0.106 4.244 4.340 0.017 0.000 0.212 340 L C 2.101 178.924 176.870 -0.078 0.000 1.105 340 L CA 1.843 56.670 54.840 -0.021 0.000 0.775 340 L CB -1.042 41.007 42.059 -0.016 0.000 0.913 340 L HN 0.667 nan 8.230 nan 0.000 0.440 341 H N -0.279 118.760 119.070 -0.052 0.000 2.457 341 H HA -0.154 4.416 4.556 0.024 0.000 0.297 341 H C 1.619 176.916 175.328 -0.051 0.000 1.092 341 H CA 1.688 57.707 56.048 -0.048 0.000 1.309 341 H CB 0.150 29.906 29.762 -0.010 0.000 1.382 341 H HN 0.318 nan 8.280 nan 0.000 0.535 342 D N -0.155 120.267 120.400 0.037 0.000 2.264 342 D HA -0.111 4.539 4.640 0.017 0.000 0.208 342 D C 2.165 178.411 176.300 -0.089 0.000 0.966 342 D CA 0.507 54.537 54.000 0.051 0.000 0.864 342 D CB -0.169 40.790 40.800 0.265 0.000 0.933 342 D HN 0.400 nan 8.370 nan 0.000 0.499 343 R N 0.791 121.043 120.500 -0.414 0.000 2.083 343 R HA -0.121 4.229 4.340 0.017 0.000 0.237 343 R C 2.204 178.337 176.300 -0.279 0.000 1.137 343 R CA 1.535 57.268 56.100 -0.612 0.000 0.951 343 R CB -0.198 29.610 30.300 -0.821 0.000 0.851 343 R HN 0.086 nan 8.270 nan 0.000 0.434 344 A N 0.559 123.225 122.820 -0.257 0.000 2.076 344 A HA -0.155 4.175 4.320 0.017 0.000 0.220 344 A C 1.575 179.084 177.584 -0.125 0.000 1.160 344 A CA 1.360 53.287 52.037 -0.184 0.000 0.653 344 A CB -0.183 18.694 19.000 -0.205 0.000 0.801 344 A HN 0.262 nan 8.150 nan 0.000 0.455 345 K N -1.314 119.022 120.400 -0.107 0.000 2.417 345 K HA 0.294 4.624 4.320 0.017 0.000 0.196 345 K C -0.184 176.418 176.600 0.004 0.000 1.023 345 K CA 0.145 56.406 56.287 -0.044 0.000 1.122 345 K CB 0.197 32.679 32.500 -0.030 0.000 0.850 345 K HN 0.462 nan 8.250 nan 0.000 0.521 346 M N 1.310 120.919 119.600 0.015 0.000 2.944 346 M HA 0.153 4.643 4.480 0.017 0.000 0.235 346 M C -2.092 174.237 176.300 0.049 0.000 1.188 346 M CA -1.643 53.705 55.300 0.080 0.000 0.688 346 M CB 1.233 33.949 32.600 0.194 0.000 1.406 346 M HN -0.184 nan 8.290 nan 0.000 0.479 347 P HA -0.217 nan 4.420 nan 0.000 0.216 347 P C 1.207 178.499 177.300 -0.013 0.000 1.150 347 P CA 1.538 64.623 63.100 -0.024 0.000 0.837 347 P CB 0.023 31.724 31.700 0.003 0.000 0.786 348 Y N 1.188 121.473 120.300 -0.025 0.000 2.181 348 Y HA -0.173 4.385 4.550 0.014 0.000 0.288 348 Y C 2.367 178.268 175.900 0.001 0.000 1.146 348 Y CA 2.298 60.390 58.100 -0.014 0.000 1.164 348 Y CB -1.082 37.382 38.460 0.007 0.000 0.982 348 Y HN -0.093 nan 8.280 nan 0.000 0.515 349 T N 0.395 115.009 114.554 0.100 0.000 2.777 349 T HA -0.172 4.188 4.350 0.017 0.000 0.266 349 T C 1.537 176.217 174.700 -0.034 0.000 1.040 349 T CA 1.755 63.932 62.100 0.127 0.000 1.141 349 T CB -0.234 68.797 68.868 0.272 0.000 0.868 349 T HN 0.501 nan 8.240 nan 0.000 0.444 350 E N 1.650 121.783 120.200 -0.111 0.000 2.085 350 E HA -0.087 4.273 4.350 0.017 0.000 0.194 350 E C 2.556 178.716 176.600 -0.732 0.000 0.994 350 E CA 1.069 57.230 56.400 -0.398 0.000 0.801 350 E CB -0.289 29.111 29.700 -0.499 0.000 0.743 350 E HN 0.487 nan 8.360 nan 0.000 0.453 351 A N 1.298 123.778 122.820 -0.566 0.000 1.933 351 A HA -0.133 4.197 4.320 0.017 0.000 0.218 351 A C 2.554 179.860 177.584 -0.464 0.000 1.175 351 A CA 1.170 52.903 52.037 -0.506 0.000 0.628 351 A CB -0.679 18.140 19.000 -0.302 0.000 0.814 351 A HN 0.127 nan 8.150 nan 0.000 0.444 352 V N 0.144 119.774 119.914 -0.473 0.000 2.295 352 V HA -0.272 3.858 4.120 0.017 0.000 0.246 352 V C 2.420 178.340 176.094 -0.289 0.000 1.049 352 V CA 2.138 64.234 62.300 -0.339 0.000 1.024 352 V CB -0.670 31.036 31.823 -0.194 0.000 0.648 352 V HN 0.582 nan 8.190 nan 0.000 0.447 353 I N -1.299 119.060 120.570 -0.352 0.000 2.226 353 I HA -0.277 3.902 4.170 0.017 0.000 0.245 353 I C 2.356 178.401 176.117 -0.120 0.000 1.100 353 I CA 1.853 62.973 61.300 -0.301 0.000 1.374 353 I CB -0.452 37.430 38.000 -0.197 0.000 1.057 353 I HN 0.300 nan 8.210 nan 0.000 0.413 354 Y N 0.502 120.489 120.300 -0.521 0.000 2.181 354 Y HA -0.315 4.246 4.550 0.018 0.000 0.288 354 Y C 2.722 178.173 175.900 -0.748 0.000 1.146 354 Y CA 0.881 58.401 58.100 -0.967 0.000 1.164 354 Y CB -0.129 37.066 38.460 -2.109 0.000 0.982 354 Y HN 0.169 nan 8.280 nan 0.000 0.515 355 E N 1.011 121.011 120.200 -0.333 0.000 2.106 355 E HA -0.167 4.193 4.350 0.017 0.000 0.192 355 E C 1.796 178.501 176.600 0.174 0.000 0.984 355 E CA 1.094 57.492 56.400 -0.004 0.000 0.806 355 E CB -0.432 29.152 29.700 -0.193 0.000 0.750 355 E HN 0.449 nan 8.360 nan 0.000 0.458 356 I N 0.573 121.242 120.570 0.165 0.000 2.208 356 I HA -0.333 3.847 4.170 0.017 0.000 0.245 356 I C 2.513 178.689 176.117 0.097 0.000 1.097 356 I CA 1.452 62.855 61.300 0.172 0.000 1.363 356 I CB -0.290 37.703 38.000 -0.013 0.000 1.051 356 I HN 0.216 nan 8.210 nan 0.000 0.413 357 Q N -0.098 119.737 119.800 0.059 0.000 2.119 357 Q HA -0.198 4.152 4.340 0.017 0.000 0.201 357 Q C 2.385 178.393 176.000 0.014 0.000 0.972 357 Q CA 1.107 56.918 55.803 0.012 0.000 0.847 357 Q CB -0.184 28.583 28.738 0.049 0.000 0.903 357 Q HN 0.439 nan 8.270 nan 0.000 0.433 358 R N 0.124 120.706 120.500 0.137 0.000 2.062 358 R HA -0.129 4.220 4.340 0.017 0.000 0.231 358 R C 2.091 178.327 176.300 -0.107 0.000 1.136 358 R CA 1.142 57.259 56.100 0.028 0.000 0.948 358 R CB -0.290 30.052 30.300 0.069 0.000 0.845 358 R HN 0.208 nan 8.270 nan 0.000 0.430 359 F N 1.102 121.000 119.950 -0.087 0.000 2.146 359 F HA -0.135 4.402 4.527 0.017 0.000 0.298 359 F C 2.224 177.945 175.800 -0.132 0.000 1.096 359 F CA 1.791 59.770 58.000 -0.037 0.000 1.275 359 F CB -0.014 39.084 39.000 0.163 0.000 1.008 359 F HN -0.002 nan 8.300 nan 0.000 0.480 360 S N -0.808 114.881 115.700 -0.018 0.000 2.406 360 S HA -0.149 4.331 4.470 0.017 0.000 0.228 360 S C 0.356 174.794 174.600 -0.269 0.000 1.020 360 S CA 0.981 58.961 58.200 -0.367 0.000 0.965 360 S CB -0.457 62.521 63.200 -0.370 0.000 0.798 360 S HN 0.584 nan 8.310 nan 0.000 0.488 361 D N 0.145 120.443 120.400 -0.170 0.000 2.737 361 D HA -0.131 4.519 4.640 0.017 0.000 0.238 361 D C 0.357 176.592 176.300 -0.107 0.000 1.157 361 D CA 0.073 53.996 54.000 -0.128 0.000 0.694 361 D CB -1.326 39.451 40.800 -0.037 0.000 1.021 361 D HN 0.110 nan 8.370 nan 0.000 0.420 362 L N -0.216 120.936 121.223 -0.118 0.000 2.291 362 L HA 0.095 4.445 4.340 0.017 0.000 0.214 362 L C 1.370 178.204 176.870 -0.060 0.000 1.120 362 L CA 1.205 56.004 54.840 -0.068 0.000 0.799 362 L CB -0.451 41.568 42.059 -0.067 0.000 0.925 362 L HN 0.455 nan 8.230 nan 0.000 0.446 363 L N 1.218 122.388 121.223 -0.090 0.000 2.502 363 L HA 0.219 4.569 4.340 0.017 0.000 0.247 363 L C -1.380 175.451 176.870 -0.065 0.000 1.180 363 L CA -0.982 53.818 54.840 -0.066 0.000 0.956 363 L CB 1.357 43.372 42.059 -0.073 0.000 1.282 363 L HN -0.110 nan 8.230 nan 0.000 0.470 364 P HA -0.085 nan 4.420 nan 0.000 0.221 364 P C 1.015 178.317 177.300 0.004 0.000 1.150 364 P CA 1.271 64.360 63.100 -0.017 0.000 0.800 364 P CB 0.315 32.011 31.700 -0.006 0.000 0.787 365 M N -1.323 118.271 119.600 -0.010 0.000 2.404 365 M HA 0.296 4.786 4.480 0.017 0.000 0.271 365 M C 1.013 177.261 176.300 -0.087 0.000 1.128 365 M CA 0.116 55.412 55.300 -0.007 0.000 0.982 365 M CB 0.262 32.868 32.600 0.011 0.000 1.445 365 M HN -0.060 nan 8.290 nan 0.000 0.495 366 G N 0.928 109.685 108.800 -0.073 0.000 2.564 366 G HA2 -0.236 3.734 3.960 0.017 0.000 0.273 366 G HA3 -0.236 3.734 3.960 0.017 0.000 0.273 366 G C -0.495 174.359 174.900 -0.077 0.000 1.242 366 G CA -0.453 44.608 45.100 -0.064 0.000 0.951 366 G HN 0.224 nan 8.290 nan 0.000 0.564 367 V N 2.046 121.941 119.914 -0.031 0.000 2.604 367 V HA 0.572 4.702 4.120 0.017 0.000 0.305 367 V C -1.953 174.137 176.094 -0.007 0.000 1.043 367 V CA -1.118 61.153 62.300 -0.049 0.000 0.888 367 V CB 2.050 33.848 31.823 -0.041 0.000 0.995 367 V HN 0.682 nan 8.190 nan 0.000 0.429 368 P HA 0.219 nan 4.420 nan 0.000 0.268 368 P C -0.469 176.905 177.300 0.124 0.000 1.205 368 P CA 0.184 63.325 63.100 0.068 0.000 0.771 368 P CB 0.335 32.101 31.700 0.110 0.000 0.858 369 H N 1.041 120.142 119.070 0.052 0.000 2.630 369 H HA 0.649 5.215 4.556 0.016 0.000 0.343 369 H C 0.101 175.430 175.328 0.001 0.000 1.232 369 H CA -0.774 55.277 56.048 0.004 0.000 1.294 369 H CB 1.737 31.521 29.762 0.037 0.000 1.746 369 H HN 0.329 nan 8.280 nan 0.000 0.593 370 I N -1.263 119.343 120.570 0.059 0.000 2.769 370 I HA 0.352 4.532 4.170 0.017 0.000 0.298 370 I C -0.425 175.630 176.117 -0.103 0.000 1.128 370 I CA -1.194 60.090 61.300 -0.027 0.000 1.031 370 I CB 1.980 39.945 38.000 -0.058 0.000 1.235 370 I HN 0.262 nan 8.210 nan 0.000 0.423 371 V N 1.971 121.758 119.914 -0.211 0.000 2.530 371 V HA 0.414 4.544 4.120 0.017 0.000 0.282 371 V C 1.156 177.117 176.094 -0.222 0.000 1.048 371 V CA 0.640 62.719 62.300 -0.368 0.000 0.997 371 V CB 0.727 32.200 31.823 -0.583 0.000 0.987 371 V HN 1.058 nan 8.190 nan 0.000 0.477 372 T N 0.932 115.368 114.554 -0.197 0.000 3.067 372 T HA 0.197 4.557 4.350 0.017 0.000 0.257 372 T C 0.643 175.278 174.700 -0.109 0.000 1.105 372 T CA 0.341 62.368 62.100 -0.123 0.000 1.104 372 T CB -0.030 68.782 68.868 -0.093 0.000 0.925 372 T HN 0.749 nan 8.240 nan 0.000 0.498 373 Q N 1.162 120.878 119.800 -0.139 0.000 2.462 373 Q HA 0.266 4.616 4.340 0.017 0.000 0.285 373 Q C -1.169 174.759 176.000 -0.120 0.000 1.035 373 Q CA -0.782 54.946 55.803 -0.126 0.000 0.799 373 Q CB 1.618 30.264 28.738 -0.152 0.000 1.452 373 Q HN 0.783 nan 8.270 nan 0.000 0.404 374 H N -0.974 118.051 119.070 -0.075 0.000 3.034 374 H HA 0.381 4.947 4.556 0.017 0.000 0.324 374 H C -0.858 174.436 175.328 -0.057 0.000 1.015 374 H CA 0.518 56.526 56.048 -0.067 0.000 1.429 374 H CB 0.364 30.103 29.762 -0.037 0.000 1.429 374 H HN 0.217 nan 8.280 nan 0.000 0.585 375 T N 4.144 118.747 114.554 0.082 0.000 2.879 375 T HA 0.291 4.651 4.350 0.017 0.000 0.290 375 T C -0.409 174.388 174.700 0.162 0.000 0.993 375 T CA -0.923 61.201 62.100 0.040 0.000 0.975 375 T CB 1.182 69.964 68.868 -0.143 0.000 0.981 375 T HN 0.732 nan 8.240 nan 0.000 0.439 376 S N 2.535 118.345 115.700 0.184 0.000 2.548 376 S HA 0.584 5.063 4.470 0.017 0.000 0.277 376 S C -0.837 173.964 174.600 0.335 0.000 1.315 376 S CA -0.338 57.986 58.200 0.205 0.000 1.050 376 S CB 0.002 63.280 63.200 0.129 0.000 0.918 376 S HN 0.578 nan 8.310 nan 0.000 0.497 377 F N 2.930 122.966 119.950 0.144 0.000 2.787 377 F HA 0.373 4.910 4.527 0.016 0.000 0.340 377 F C 0.227 176.115 175.800 0.146 0.000 1.232 377 F CA -0.625 57.479 58.000 0.173 0.000 1.051 377 F CB 0.726 39.883 39.000 0.262 0.000 1.330 377 F HN 0.676 nan 8.300 nan 0.000 0.522 378 R N 3.925 124.169 120.500 -0.427 0.000 3.322 378 R HA -0.219 4.131 4.340 0.017 0.000 0.253 378 R C 1.064 177.146 176.300 -0.363 0.000 0.987 378 R CA 1.109 56.999 56.100 -0.349 0.000 0.666 378 R CB -1.598 28.511 30.300 -0.318 0.000 1.072 378 R HN 1.459 nan 8.270 nan 0.000 0.447 379 G N -2.393 106.226 108.800 -0.301 0.000 2.217 379 G HA2 -0.363 3.607 3.960 0.017 0.000 0.246 379 G HA3 -0.363 3.607 3.960 0.017 0.000 0.246 379 G C -0.067 174.577 174.900 -0.427 0.000 0.990 379 G CA 0.457 45.322 45.100 -0.392 0.000 0.627 379 G HN 0.365 nan 8.290 nan 0.000 0.522 380 Y N -0.367 119.976 120.300 0.072 0.000 2.545 380 Y HA 0.801 5.361 4.550 0.016 0.000 0.324 380 Y C 0.863 176.825 175.900 0.103 0.000 1.220 380 Y CA -1.384 56.770 58.100 0.089 0.000 1.290 380 Y CB 1.005 39.538 38.460 0.121 0.000 1.355 380 Y HN 0.083 nan 8.280 nan 0.000 0.516 381 I N 2.141 122.871 120.570 0.266 0.000 2.468 381 I HA 0.326 4.506 4.170 0.017 0.000 0.285 381 I C -1.179 175.010 176.117 0.120 0.000 1.039 381 I CA -0.373 61.028 61.300 0.168 0.000 1.074 381 I CB 1.392 39.444 38.000 0.086 0.000 1.228 381 I HN 0.326 nan 8.210 nan 0.000 0.436 382 I N 8.161 128.791 120.570 0.100 0.000 2.312 382 I HA 0.297 4.477 4.170 0.017 0.000 0.291 382 I C -2.220 173.890 176.117 -0.012 0.000 1.031 382 I CA -1.890 59.414 61.300 0.008 0.000 1.293 382 I CB 0.856 38.825 38.000 -0.050 0.000 1.403 382 I HN 0.169 nan 8.210 nan 0.000 0.484 383 P HA -0.054 nan 4.420 nan 0.000 0.266 383 P C -0.364 176.915 177.300 -0.034 0.000 1.195 383 P CA -0.259 62.829 63.100 -0.020 0.000 0.768 383 P CB 0.441 32.114 31.700 -0.046 0.000 0.838 384 K N 3.153 123.558 120.400 0.008 0.000 2.569 384 K HA -0.183 4.146 4.320 0.017 0.000 0.280 384 K C 0.093 176.659 176.600 -0.057 0.000 0.984 384 K CA 0.812 57.081 56.287 -0.030 0.000 1.064 384 K CB -0.258 32.243 32.500 0.003 0.000 0.866 384 K HN 0.523 nan 8.250 nan 0.000 0.492 385 D N 1.038 121.390 120.400 -0.081 0.000 3.046 385 D HA -0.141 4.509 4.640 0.017 0.000 0.210 385 D C -0.723 175.525 176.300 -0.086 0.000 1.124 385 D CA 1.416 55.371 54.000 -0.076 0.000 0.986 385 D CB -1.455 39.313 40.800 -0.053 0.000 1.118 385 D HN 0.648 nan 8.370 nan 0.000 0.416 386 T N 1.164 115.654 114.554 -0.108 0.000 2.870 386 T HA 0.146 4.506 4.350 0.017 0.000 0.300 386 T C 0.602 175.228 174.700 -0.122 0.000 0.989 386 T CA -0.136 61.888 62.100 -0.127 0.000 1.139 386 T CB 1.415 70.194 68.868 -0.147 0.000 0.920 386 T HN 0.095 nan 8.240 nan 0.000 0.537 387 E N 2.308 122.436 120.200 -0.120 0.000 2.414 387 E HA 0.242 4.602 4.350 0.017 0.000 0.263 387 E C -1.020 175.510 176.600 -0.116 0.000 1.000 387 E CA -0.257 56.095 56.400 -0.080 0.000 0.914 387 E CB 0.471 30.131 29.700 -0.066 0.000 0.948 387 E HN 0.294 nan 8.360 nan 0.000 0.444 388 V N 6.126 126.052 119.914 0.020 0.000 2.531 388 V HA 0.320 4.450 4.120 0.017 0.000 0.301 388 V C -0.687 175.555 176.094 0.247 0.000 1.034 388 V CA -0.572 61.738 62.300 0.016 0.000 0.865 388 V CB 1.279 33.154 31.823 0.087 0.000 0.995 388 V HN 0.594 nan 8.190 nan 0.000 0.424 389 F N 5.000 124.853 119.950 -0.162 0.000 2.415 389 F HA 0.488 5.025 4.527 0.017 0.000 0.348 389 F C -0.213 175.477 175.800 -0.183 0.000 1.119 389 F CA -1.121 56.800 58.000 -0.131 0.000 1.069 389 F CB 1.596 40.508 39.000 -0.146 0.000 1.124 389 F HN 0.145 nan 8.300 nan 0.000 0.472 390 L N 5.632 126.854 121.223 -0.003 0.000 2.257 390 L HA 0.261 4.611 4.340 0.017 0.000 0.290 390 L C 0.070 176.920 176.870 -0.034 0.000 1.044 390 L CA -0.574 54.206 54.840 -0.101 0.000 0.810 390 L CB 0.932 42.860 42.059 -0.218 0.000 1.193 390 L HN 0.484 nan 8.230 nan 0.000 0.425 391 I N 5.442 126.012 120.570 -0.000 0.000 2.227 391 I HA 0.033 4.213 4.170 0.017 0.000 0.297 391 I C 1.604 177.738 176.117 0.029 0.000 1.173 391 I CA 0.025 61.361 61.300 0.059 0.000 1.356 391 I CB 0.129 38.207 38.000 0.130 0.000 1.485 391 I HN 0.607 nan 8.210 nan 0.000 0.604 392 L N 2.542 123.760 121.223 -0.009 0.000 2.079 392 L HA -0.227 4.123 4.340 0.017 0.000 0.210 392 L C 2.502 179.369 176.870 -0.005 0.000 1.081 392 L CA 1.174 55.990 54.840 -0.039 0.000 0.752 392 L CB -0.432 41.576 42.059 -0.086 0.000 0.896 392 L HN 0.563 nan 8.230 nan 0.000 0.433 393 S N -0.283 115.437 115.700 0.034 0.000 2.392 393 S HA -0.235 4.245 4.470 0.017 0.000 0.232 393 S C 2.032 176.747 174.600 0.192 0.000 1.041 393 S CA 2.193 60.462 58.200 0.117 0.000 1.026 393 S CB -0.308 62.950 63.200 0.096 0.000 0.845 393 S HN 0.687 nan 8.310 nan 0.000 0.465 394 T N -1.132 113.499 114.554 0.128 0.000 3.023 394 T HA 0.314 4.674 4.350 0.017 0.000 0.266 394 T C 1.784 176.559 174.700 0.126 0.000 1.093 394 T CA 0.929 63.111 62.100 0.136 0.000 1.129 394 T CB -0.381 68.562 68.868 0.125 0.000 0.899 394 T HN 0.388 nan 8.240 nan 0.000 0.491 395 A N 1.808 124.677 122.820 0.082 0.000 1.898 395 A HA 0.324 4.654 4.320 0.017 0.000 0.214 395 A C 2.316 179.972 177.584 0.120 0.000 1.183 395 A CA 0.752 52.828 52.037 0.065 0.000 0.622 395 A CB -0.740 18.258 19.000 -0.004 0.000 0.824 395 A HN 0.506 nan 8.150 nan 0.000 0.444 396 L N -1.300 119.944 121.223 0.035 0.000 2.275 396 L HA -0.128 4.222 4.340 0.017 0.000 0.215 396 L C 1.480 178.153 176.870 -0.329 0.000 1.119 396 L CA 1.055 55.819 54.840 -0.125 0.000 0.790 396 L CB -0.468 41.422 42.059 -0.281 0.000 0.919 396 L HN 0.498 nan 8.230 nan 0.000 0.443 397 H N -2.126 116.972 119.070 0.047 0.000 2.505 397 H HA 0.119 4.686 4.556 0.017 0.000 0.286 397 H C -0.089 175.311 175.328 0.120 0.000 1.072 397 H CA -0.546 55.525 56.048 0.038 0.000 1.141 397 H CB 0.080 29.824 29.762 -0.029 0.000 1.550 397 H HN 0.030 nan 8.280 nan 0.000 0.547 398 D N 2.251 122.823 120.400 0.287 0.000 2.371 398 D HA -0.018 4.632 4.640 0.017 0.000 0.256 398 D C -1.352 175.011 176.300 0.105 0.000 1.193 398 D CA -2.216 51.882 54.000 0.162 0.000 0.881 398 D CB 1.470 42.412 40.800 0.236 0.000 1.143 398 D HN 0.150 nan 8.370 nan 0.000 0.473 399 P HA -0.160 nan 4.420 nan 0.000 0.221 399 P C 0.977 178.228 177.300 -0.081 0.000 1.150 399 P CA 1.026 64.088 63.100 -0.063 0.000 0.800 399 P CB 0.154 31.796 31.700 -0.096 0.000 0.787 400 H N -0.983 118.055 119.070 -0.052 0.000 2.353 400 H HA -0.112 4.454 4.556 0.016 0.000 0.300 400 H C 1.926 177.021 175.328 -0.389 0.000 1.090 400 H CA 1.328 57.241 56.048 -0.225 0.000 1.327 400 H CB -1.201 28.348 29.762 -0.354 0.000 1.383 400 H HN 0.306 nan 8.280 nan 0.000 0.508 401 Y N -0.860 119.329 120.300 -0.184 0.000 2.448 401 Y HA 0.096 4.656 4.550 0.016 0.000 0.289 401 Y C 0.252 175.639 175.900 -0.854 0.000 1.114 401 Y CA 0.113 57.858 58.100 -0.591 0.000 1.235 401 Y CB 0.471 38.392 38.460 -0.898 0.000 1.045 401 Y HN -0.079 nan 8.280 nan 0.000 0.554 402 F N 0.861 120.790 119.950 -0.035 0.000 2.610 402 F HA 0.258 4.795 4.527 0.016 0.000 0.355 402 F C -0.011 175.710 175.800 -0.132 0.000 1.140 402 F CA -1.732 56.117 58.000 -0.252 0.000 1.037 402 F CB 0.660 39.354 39.000 -0.510 0.000 1.287 402 F HN -0.202 nan 8.300 nan 0.000 0.457 403 E N 4.399 124.689 120.200 0.150 0.000 2.417 403 E HA -0.034 4.326 4.350 0.017 0.000 0.261 403 E C 0.295 177.047 176.600 0.253 0.000 1.000 403 E CA 0.253 56.746 56.400 0.155 0.000 0.919 403 E CB 0.452 30.228 29.700 0.125 0.000 0.955 403 E HN 0.665 nan 8.360 nan 0.000 0.455 404 K N 4.152 124.652 120.400 0.167 0.000 3.619 404 K HA -0.119 4.211 4.320 0.017 0.000 0.275 404 K C -1.976 174.758 176.600 0.222 0.000 0.993 404 K CA 0.427 56.820 56.287 0.177 0.000 0.787 404 K CB -0.264 32.332 32.500 0.160 0.000 1.431 404 K HN 0.413 nan 8.250 nan 0.000 0.451 405 P HA -0.085 nan 4.420 nan 0.000 0.233 405 P C 0.124 177.546 177.300 0.203 0.000 1.167 405 P CA 0.736 63.889 63.100 0.089 0.000 0.770 405 P CB 0.251 32.024 31.700 0.122 0.000 0.837 406 D N -0.083 120.435 120.400 0.197 0.000 2.340 406 D HA 0.131 4.781 4.640 0.017 0.000 0.220 406 D C 0.943 177.438 176.300 0.325 0.000 1.039 406 D CA 0.234 54.345 54.000 0.185 0.000 0.866 406 D CB 0.372 41.218 40.800 0.077 0.000 0.913 406 D HN 0.169 nan 8.370 nan 0.000 0.523 407 A N 0.652 123.680 122.820 0.346 0.000 2.303 407 A HA 0.424 4.754 4.320 0.017 0.000 0.317 407 A C -0.695 177.131 177.584 0.404 0.000 1.149 407 A CA -0.584 51.670 52.037 0.362 0.000 0.822 407 A CB 0.688 19.801 19.000 0.189 0.000 1.131 407 A HN 0.070 nan 8.150 nan 0.000 0.493 408 F N 3.001 122.945 119.950 -0.010 0.000 2.444 408 F HA 0.485 5.021 4.527 0.015 0.000 0.360 408 F C 0.024 175.621 175.800 -0.338 0.000 1.106 408 F CA -0.028 57.800 58.000 -0.287 0.000 1.170 408 F CB 0.364 38.874 39.000 -0.818 0.000 1.113 408 F HN 0.547 nan 8.300 nan 0.000 0.521 409 N N 7.945 126.206 118.700 -0.732 0.000 2.599 409 N HA 0.329 5.079 4.740 0.017 0.000 0.283 409 N C -2.499 172.599 175.510 -0.687 0.000 1.160 409 N CA -1.997 50.604 53.050 -0.749 0.000 0.869 409 N CB 1.980 40.056 38.487 -0.685 0.000 1.448 409 N HN 0.128 nan 8.380 nan 0.000 0.535 410 P HA -0.062 nan 4.420 nan 0.000 0.219 410 P C 0.275 177.463 177.300 -0.186 0.000 1.146 410 P CA 0.976 63.842 63.100 -0.389 0.000 0.808 410 P CB 0.355 31.760 31.700 -0.492 0.000 0.779 411 D N -1.722 118.556 120.400 -0.204 0.000 2.311 411 D HA -0.171 4.479 4.640 0.017 0.000 0.212 411 D C 1.564 177.801 176.300 -0.104 0.000 0.972 411 D CA 0.962 54.889 54.000 -0.121 0.000 0.887 411 D CB -0.867 39.857 40.800 -0.126 0.000 0.915 411 D HN 0.432 nan 8.370 nan 0.000 0.497 412 H N -1.220 117.777 119.070 -0.121 0.000 2.460 412 H HA -0.116 4.450 4.556 0.016 0.000 0.297 412 H C 0.707 175.781 175.328 -0.423 0.000 1.103 412 H CA 0.721 56.635 56.048 -0.224 0.000 1.292 412 H CB -0.018 29.559 29.762 -0.308 0.000 1.376 412 H HN 0.158 nan 8.280 nan 0.000 0.531 413 F N 0.088 120.086 119.950 0.079 0.000 2.735 413 F HA 0.311 4.848 4.527 0.017 0.000 0.304 413 F C -0.459 175.323 175.800 -0.030 0.000 1.119 413 F CA -0.129 57.888 58.000 0.028 0.000 1.280 413 F CB 0.665 39.636 39.000 -0.048 0.000 0.994 413 F HN -0.105 nan 8.300 nan 0.000 0.520 414 L N 0.620 121.891 121.223 0.080 0.000 2.386 414 L HA 0.415 4.764 4.340 0.017 0.000 0.271 414 L C -0.628 176.262 176.870 0.033 0.000 0.993 414 L CA -1.150 53.721 54.840 0.052 0.000 0.819 414 L CB 1.832 43.921 42.059 0.050 0.000 1.294 414 L HN -0.002 nan 8.230 nan 0.000 0.414 415 D N 1.648 122.067 120.400 0.031 0.000 2.423 415 D HA 0.308 4.958 4.640 0.017 0.000 0.255 415 D C 1.015 177.325 176.300 0.017 0.000 1.174 415 D CA -0.222 53.789 54.000 0.019 0.000 1.008 415 D CB 1.069 41.879 40.800 0.017 0.000 1.101 415 D HN 0.498 nan 8.370 nan 0.000 0.516 416 A N 0.033 122.859 122.820 0.010 0.000 1.986 416 A HA -0.208 4.122 4.320 0.017 0.000 0.220 416 A C 2.120 179.709 177.584 0.009 0.000 1.171 416 A CA 2.316 54.357 52.037 0.008 0.000 0.640 416 A CB -1.885 17.116 19.000 0.003 0.000 0.811 416 A HN 0.802 nan 8.150 nan 0.000 0.451 417 N N -0.932 117.774 118.700 0.010 0.000 2.461 417 N HA 0.332 5.082 4.740 0.017 0.000 0.188 417 N C 1.608 177.127 175.510 0.016 0.000 1.134 417 N CA 1.154 54.210 53.050 0.010 0.000 0.878 417 N CB -0.736 37.755 38.487 0.007 0.000 0.972 417 N HN 1.691 nan 8.380 nan 0.000 0.456 418 G N -2.126 106.689 108.800 0.026 0.000 2.153 418 G HA2 0.157 4.127 3.960 0.017 0.000 0.252 418 G HA3 0.157 4.127 3.960 0.017 0.000 0.252 418 G C 0.339 175.262 174.900 0.039 0.000 0.994 418 G CA 0.703 45.829 45.100 0.042 0.000 0.698 418 G HN 1.578 nan 8.290 nan 0.000 0.521 419 A N -0.703 122.133 122.820 0.026 0.000 2.279 419 A HA 0.807 5.137 4.320 0.017 0.000 0.303 419 A C 0.420 178.016 177.584 0.020 0.000 1.108 419 A CA -0.424 51.623 52.037 0.018 0.000 0.830 419 A CB 0.935 19.942 19.000 0.012 0.000 1.106 419 A HN 1.393 nan 8.150 nan 0.000 0.493 420 L N 0.905 122.130 121.223 0.004 0.000 2.534 420 L HA 0.188 4.538 4.340 0.017 0.000 0.271 420 L C 0.597 177.504 176.870 0.062 0.000 1.178 420 L CA 0.770 55.614 54.840 0.006 0.000 0.907 420 L CB 0.014 42.040 42.059 -0.056 0.000 1.164 420 L HN 0.631 nan 8.230 nan 0.000 0.482 421 K N 5.651 126.116 120.400 0.108 0.000 2.300 421 K HA 0.273 4.603 4.320 0.017 0.000 0.264 421 K C -0.333 176.392 176.600 0.207 0.000 1.083 421 K CA -0.504 55.852 56.287 0.116 0.000 0.958 421 K CB 0.322 32.866 32.500 0.075 0.000 1.318 421 K HN 0.552 nan 8.250 nan 0.000 0.448 422 K N 1.440 121.960 120.400 0.200 0.000 2.258 422 K HA 0.118 4.447 4.320 0.017 0.000 0.264 422 K C -0.024 176.689 176.600 0.188 0.000 1.007 422 K CA 0.001 56.441 56.287 0.255 0.000 0.941 422 K CB 1.335 33.958 32.500 0.206 0.000 0.966 422 K HN 0.476 nan 8.250 nan 0.000 0.480 423 T N -0.349 114.333 114.554 0.215 0.000 2.923 423 T HA 0.131 4.490 4.350 0.017 0.000 0.311 423 T C 0.252 174.999 174.700 0.077 0.000 1.183 423 T CA -0.690 61.475 62.100 0.108 0.000 1.020 423 T CB 1.440 70.305 68.868 -0.004 0.000 1.165 423 T HN 0.633 nan 8.240 nan 0.000 0.482 424 E N 1.629 121.809 120.200 -0.034 0.000 2.268 424 E HA -0.014 4.346 4.350 0.017 0.000 0.195 424 E C 1.986 178.472 176.600 -0.190 0.000 0.995 424 E CA 0.841 57.194 56.400 -0.077 0.000 0.836 424 E CB -0.028 29.635 29.700 -0.061 0.000 0.763 424 E HN 0.708 nan 8.360 nan 0.000 0.491 425 A N 0.928 123.491 122.820 -0.428 0.000 2.121 425 A HA -0.119 4.211 4.320 0.017 0.000 0.218 425 A C 0.871 178.513 177.584 0.096 0.000 1.154 425 A CA 0.312 52.138 52.037 -0.352 0.000 0.679 425 A CB -0.316 18.285 19.000 -0.665 0.000 0.795 425 A HN 0.236 nan 8.150 nan 0.000 0.458 426 F N 1.454 121.439 119.950 0.059 0.000 2.406 426 F HA 0.477 5.014 4.527 0.016 0.000 0.358 426 F C 0.174 175.968 175.800 -0.011 0.000 1.161 426 F CA -1.538 56.539 58.000 0.128 0.000 1.185 426 F CB 0.263 39.425 39.000 0.270 0.000 1.421 426 F HN 0.217 nan 8.300 nan 0.000 0.576 427 I N 5.115 125.481 120.570 -0.341 0.000 2.998 427 I HA 0.371 4.551 4.170 0.017 0.000 0.338 427 I C -2.169 173.691 176.117 -0.428 0.000 1.413 427 I CA -1.552 59.554 61.300 -0.323 0.000 0.880 427 I CB 0.558 38.468 38.000 -0.150 0.000 2.051 427 I HN 0.140 nan 8.210 nan 0.000 0.561 428 P HA -0.032 nan 4.420 nan 0.000 0.226 428 P C 0.853 177.741 177.300 -0.685 0.000 1.153 428 P CA 1.095 63.751 63.100 -0.740 0.000 0.777 428 P CB 0.016 31.090 31.700 -1.044 0.000 0.794 429 F N -0.478 119.299 119.950 -0.289 0.000 2.693 429 F HA 0.263 4.800 4.527 0.017 0.000 0.303 429 F C 1.548 177.275 175.800 -0.122 0.000 1.097 429 F CA 0.173 58.068 58.000 -0.174 0.000 1.330 429 F CB -0.470 38.435 39.000 -0.159 0.000 1.067 429 F HN -0.085 nan 8.300 nan 0.000 0.565 430 S N -0.112 115.573 115.700 -0.026 0.000 3.514 430 S HA -0.166 4.314 4.470 0.017 0.000 0.634 430 S C -0.734 173.865 174.600 -0.002 0.000 2.489 430 S CA 0.244 58.431 58.200 -0.023 0.000 2.771 430 S CB -0.881 62.332 63.200 0.023 0.000 0.328 430 S HN 0.194 nan 8.310 nan 0.000 1.714 431 L N 0.380 121.604 121.223 0.000 0.000 2.479 431 L HA 0.703 5.053 4.340 0.017 0.000 0.255 431 L C 0.813 177.704 176.870 0.035 0.000 1.026 431 L CA -0.149 54.694 54.840 0.005 0.000 0.842 431 L CB 1.550 43.591 42.059 -0.029 0.000 1.444 431 L HN 1.690 nan 8.230 nan 0.000 0.409 432 G N 0.524 109.351 108.800 0.044 0.000 2.527 432 G HA2 -0.225 3.745 3.960 0.017 0.000 0.227 432 G HA3 -0.225 3.745 3.960 0.017 0.000 0.227 432 G C 0.313 175.283 174.900 0.116 0.000 1.291 432 G CA 0.219 45.362 45.100 0.073 0.000 0.904 432 G HN 0.634 nan 8.290 nan 0.000 0.577 433 K N 0.094 120.589 120.400 0.159 0.000 2.147 433 K HA -0.024 4.306 4.320 0.017 0.000 0.205 433 K C 2.216 179.006 176.600 0.317 0.000 1.049 433 K CA 1.225 57.664 56.287 0.254 0.000 0.936 433 K CB -0.094 32.593 32.500 0.312 0.000 0.722 433 K HN 0.248 nan 8.250 nan 0.000 0.446 434 R N 0.846 121.458 120.500 0.186 0.000 2.359 434 R HA 0.197 4.547 4.340 0.017 0.000 0.231 434 R C 0.699 177.070 176.300 0.118 0.000 0.913 434 R CA -0.200 55.972 56.100 0.120 0.000 1.075 434 R CB -0.393 29.845 30.300 -0.103 0.000 1.087 434 R HN 0.251 nan 8.270 nan 0.000 0.515 435 I N 1.363 122.005 120.570 0.119 0.000 2.775 435 I HA -0.156 4.023 4.170 0.017 0.000 0.290 435 I C 0.643 176.804 176.117 0.073 0.000 1.203 435 I CA 0.145 61.496 61.300 0.086 0.000 1.433 435 I CB 0.589 38.623 38.000 0.057 0.000 1.354 435 I HN 0.179 nan 8.210 nan 0.000 0.579 436 C N 8.039 127.393 119.300 0.090 0.000 1.912 436 C HA -0.126 4.344 4.460 0.017 0.000 0.414 436 C C 1.854 176.848 174.990 0.006 0.000 1.545 436 C CA 0.053 59.122 59.018 0.085 0.000 1.468 436 C CB -1.172 26.711 27.740 0.238 0.000 2.697 436 C HN 0.897 nan 8.230 nan 0.000 0.597 437 L N 5.038 126.266 121.223 0.008 0.000 2.191 437 L HA 0.029 4.378 4.340 0.017 0.000 0.212 437 L C 2.165 178.990 176.870 -0.076 0.000 1.103 437 L CA 1.973 56.797 54.840 -0.026 0.000 0.769 437 L CB -0.468 41.584 42.059 -0.011 0.000 0.908 437 L HN 1.005 nan 8.230 nan 0.000 0.438 438 G N -1.230 107.529 108.800 -0.069 0.000 3.518 438 G HA2 -0.044 3.925 3.960 0.017 0.000 0.273 438 G HA3 -0.044 3.925 3.960 0.017 0.000 0.273 438 G C 1.070 175.861 174.900 -0.181 0.000 1.199 438 G CA -0.087 44.953 45.100 -0.100 0.000 0.899 438 G HN 0.397 nan 8.290 nan 0.000 0.533 439 E N 0.361 120.361 120.200 -0.333 0.000 2.058 439 E HA -0.095 4.265 4.350 0.017 0.000 0.194 439 E C 2.504 178.759 176.600 -0.576 0.000 0.997 439 E CA 1.422 57.326 56.400 -0.827 0.000 0.801 439 E CB -0.372 28.805 29.700 -0.872 0.000 0.746 439 E HN 0.272 nan 8.360 nan 0.000 0.450 440 G N 1.191 109.795 108.800 -0.327 0.000 2.446 440 G HA2 -0.254 3.716 3.960 0.017 0.000 0.217 440 G HA3 -0.254 3.716 3.960 0.017 0.000 0.217 440 G C 1.624 176.439 174.900 -0.141 0.000 1.168 440 G CA 1.131 46.109 45.100 -0.203 0.000 0.771 440 G HN 0.292 nan 8.290 nan 0.000 0.551 441 I N 1.402 121.896 120.570 -0.126 0.000 2.179 441 I HA -0.174 4.006 4.170 0.017 0.000 0.242 441 I C 3.323 179.419 176.117 -0.036 0.000 1.088 441 I CA 0.990 62.242 61.300 -0.080 0.000 1.357 441 I CB -0.290 37.657 38.000 -0.088 0.000 1.051 441 I HN 0.249 nan 8.210 nan 0.000 0.409 442 A N 0.900 123.703 122.820 -0.029 0.000 1.908 442 A HA -0.219 4.111 4.320 0.017 0.000 0.218 442 A C 2.407 180.057 177.584 0.109 0.000 1.181 442 A CA 1.607 53.694 52.037 0.084 0.000 0.627 442 A CB -0.607 18.525 19.000 0.221 0.000 0.818 442 A HN 0.321 nan 8.150 nan 0.000 0.445 443 R N -0.722 119.798 120.500 0.034 0.000 2.115 443 R HA -0.045 4.305 4.340 0.017 0.000 0.230 443 R C 2.454 178.811 176.300 0.094 0.000 1.111 443 R CA 1.068 57.221 56.100 0.089 0.000 0.976 443 R CB -0.400 29.910 30.300 0.017 0.000 0.870 443 R HN 0.534 nan 8.270 nan 0.000 0.445 444 A N 1.276 124.116 122.820 0.032 0.000 1.898 444 A HA -0.177 4.153 4.320 0.017 0.000 0.216 444 A C 1.888 179.477 177.584 0.007 0.000 1.181 444 A CA 1.240 53.296 52.037 0.033 0.000 0.620 444 A CB -0.284 18.706 19.000 -0.018 0.000 0.819 444 A HN 0.285 nan 8.150 nan 0.000 0.442 445 E N -0.120 120.061 120.200 -0.032 0.000 2.051 445 E HA -0.164 4.195 4.350 0.017 0.000 0.192 445 E C 2.016 178.639 176.600 0.038 0.000 0.991 445 E CA 1.239 57.556 56.400 -0.138 0.000 0.799 445 E CB -0.310 29.458 29.700 0.114 0.000 0.748 445 E HN 0.612 nan 8.360 nan 0.000 0.449 446 L N 0.048 121.368 121.223 0.162 0.000 1.994 446 L HA -0.189 4.161 4.340 0.017 0.000 0.208 446 L C 2.499 179.498 176.870 0.214 0.000 1.071 446 L CA 1.145 56.100 54.840 0.193 0.000 0.745 446 L CB -0.472 41.670 42.059 0.140 0.000 0.892 446 L HN 0.146 nan 8.230 nan 0.000 0.431 447 F N 0.654 120.653 119.950 0.082 0.000 2.102 447 F HA -0.227 4.304 4.527 0.007 0.000 0.298 447 F C 2.228 178.111 175.800 0.138 0.000 1.105 447 F CA 1.627 59.692 58.000 0.110 0.000 1.239 447 F CB -0.147 38.886 39.000 0.055 0.000 0.991 447 F HN -0.136 nan 8.300 nan 0.000 0.474 448 L N -1.330 119.930 121.223 0.061 0.000 2.072 448 L HA -0.171 4.179 4.340 0.017 0.000 0.205 448 L C 2.419 179.274 176.870 -0.026 0.000 1.079 448 L CA 0.781 55.578 54.840 -0.072 0.000 0.752 448 L CB -0.788 41.204 42.059 -0.113 0.000 0.906 448 L HN 0.082 nan 8.230 nan 0.000 0.436 449 F N -0.559 119.476 119.950 0.142 0.000 2.102 449 F HA -0.225 4.314 4.527 0.019 0.000 0.298 449 F C 2.381 178.327 175.800 0.244 0.000 1.105 449 F CA 1.051 59.157 58.000 0.176 0.000 1.239 449 F CB -1.125 37.981 39.000 0.177 0.000 0.991 449 F HN -0.075 nan 8.300 nan 0.000 0.474 450 F N 1.471 121.571 119.950 0.250 0.000 2.043 450 F HA -0.302 4.234 4.527 0.015 0.000 0.297 450 F C 2.857 178.718 175.800 0.101 0.000 1.121 450 F CA 2.448 60.551 58.000 0.173 0.000 1.199 450 F CB -1.035 37.974 39.000 0.015 0.000 0.968 450 F HN 0.090 nan 8.300 nan 0.000 0.478 451 T N -3.722 110.804 114.554 -0.046 0.000 2.904 451 T HA -0.113 4.247 4.350 0.017 0.000 0.267 451 T C 1.860 176.536 174.700 -0.041 0.000 1.059 451 T CA 1.633 63.621 62.100 -0.186 0.000 1.137 451 T CB -0.986 67.611 68.868 -0.451 0.000 0.879 451 T HN 0.273 nan 8.240 nan 0.000 0.467 452 T N 2.111 116.692 114.554 0.045 0.000 2.812 452 T HA 0.172 4.532 4.350 0.017 0.000 0.264 452 T C 1.904 176.714 174.700 0.184 0.000 1.042 452 T CA 1.098 63.268 62.100 0.117 0.000 1.140 452 T CB -0.387 68.575 68.868 0.157 0.000 0.870 452 T HN 0.377 nan 8.240 nan 0.000 0.445 453 I N 0.928 121.637 120.570 0.233 0.000 2.099 453 I HA -0.155 4.025 4.170 0.017 0.000 0.239 453 I C 2.319 178.631 176.117 0.324 0.000 1.066 453 I CA 1.395 62.867 61.300 0.287 0.000 1.324 453 I CB -0.426 37.741 38.000 0.278 0.000 1.037 453 I HN 0.169 nan 8.210 nan 0.000 0.401 454 L N 0.115 121.457 121.223 0.198 0.000 2.131 454 L HA -0.236 4.114 4.340 0.017 0.000 0.210 454 L C 2.683 179.675 176.870 0.205 0.000 1.092 454 L CA 1.167 56.098 54.840 0.152 0.000 0.759 454 L CB -0.641 41.381 42.059 -0.061 0.000 0.903 454 L HN 0.415 nan 8.230 nan 0.000 0.435 455 Q N 0.426 120.326 119.800 0.166 0.000 2.173 455 Q HA -0.246 4.104 4.340 0.017 0.000 0.208 455 Q C 1.585 177.656 176.000 0.118 0.000 0.989 455 Q CA 1.879 57.791 55.803 0.181 0.000 0.872 455 Q CB 0.093 28.882 28.738 0.085 0.000 0.909 455 Q HN 0.560 nan 8.270 nan 0.000 0.420 456 N N -1.698 117.021 118.700 0.031 0.000 2.294 456 N HA 0.127 4.877 4.740 0.017 0.000 0.186 456 N C -0.792 174.356 175.510 -0.605 0.000 1.107 456 N CA 0.279 53.160 53.050 -0.282 0.000 0.884 456 N CB 0.800 39.089 38.487 -0.330 0.000 1.030 456 N HN 0.029 nan 8.380 nan 0.000 0.482 457 F N 0.163 120.141 119.950 0.046 0.000 2.591 457 F HA 0.275 4.813 4.527 0.018 0.000 0.309 457 F C 0.354 176.191 175.800 0.062 0.000 1.098 457 F CA -1.113 56.934 58.000 0.078 0.000 0.937 457 F CB 1.509 40.627 39.000 0.197 0.000 1.250 457 F HN -0.243 nan 8.300 nan 0.000 0.447 458 S N 1.755 117.576 115.700 0.201 0.000 2.730 458 S HA 0.916 5.396 4.470 0.017 0.000 0.284 458 S C -0.660 174.050 174.600 0.183 0.000 1.153 458 S CA -0.753 57.523 58.200 0.125 0.000 0.995 458 S CB 1.584 64.784 63.200 -0.000 0.000 1.058 458 S HN 0.552 nan 8.310 nan 0.000 0.552 459 M N 0.699 120.358 119.600 0.098 0.000 2.591 459 M HA 0.803 5.293 4.480 0.017 0.000 0.306 459 M C -0.611 175.663 176.300 -0.044 0.000 1.190 459 M CA -0.517 54.777 55.300 -0.010 0.000 0.889 459 M CB 2.527 35.159 32.600 0.053 0.000 1.728 459 M HN 0.964 nan 8.290 nan 0.000 0.458 460 A N 0.921 123.673 122.820 -0.114 0.000 2.587 460 A HA 0.938 5.268 4.320 0.017 0.000 0.293 460 A C -1.276 176.253 177.584 -0.092 0.000 1.087 460 A CA -0.656 51.336 52.037 -0.074 0.000 0.692 460 A CB 2.023 20.993 19.000 -0.050 0.000 1.291 460 A HN 0.786 nan 8.150 nan 0.000 0.407 461 S N 0.157 115.821 115.700 -0.061 0.000 2.588 461 S HA 0.746 5.225 4.470 0.017 0.000 0.275 461 S C -2.372 172.204 174.600 -0.040 0.000 1.130 461 S CA -0.921 57.250 58.200 -0.049 0.000 0.855 461 S CB 1.454 64.635 63.200 -0.032 0.000 1.116 461 S HN 0.378 nan 8.310 nan 0.000 0.472 462 P HA 0.155 nan 4.420 nan 0.000 0.229 462 P C -0.357 176.928 177.300 -0.026 0.000 1.160 462 P CA 0.368 63.452 63.100 -0.027 0.000 0.777 462 P CB -0.048 31.638 31.700 -0.024 0.000 0.814 463 V N 0.696 120.594 119.914 -0.028 0.000 2.432 463 V HA 0.494 4.624 4.120 0.017 0.000 0.275 463 V C 0.685 176.749 176.094 -0.051 0.000 1.043 463 V CA -1.413 60.867 62.300 -0.033 0.000 0.925 463 V CB 0.558 32.364 31.823 -0.028 0.000 0.985 463 V HN 0.071 nan 8.190 nan 0.000 0.466 464 A N 6.628 129.419 122.820 -0.049 0.000 2.425 464 A HA 0.450 4.780 4.320 0.017 0.000 0.242 464 A C -1.213 176.318 177.584 -0.090 0.000 1.077 464 A CA -0.950 51.050 52.037 -0.061 0.000 0.781 464 A CB -0.026 18.946 19.000 -0.046 0.000 1.020 464 A HN 0.711 nan 8.150 nan 0.000 0.494 465 P HA -0.181 nan 4.420 nan 0.000 0.216 465 P C 0.756 177.965 177.300 -0.152 0.000 1.153 465 P CA 1.700 64.689 63.100 -0.184 0.000 0.858 465 P CB 0.124 31.688 31.700 -0.226 0.000 0.789 466 E N -0.758 119.383 120.200 -0.098 0.000 2.204 466 E HA -0.152 4.208 4.350 0.017 0.000 0.195 466 E C 1.234 177.805 176.600 -0.048 0.000 0.990 466 E CA 1.066 57.428 56.400 -0.062 0.000 0.821 466 E CB -0.799 28.879 29.700 -0.037 0.000 0.750 466 E HN 0.348 nan 8.360 nan 0.000 0.477 467 D N -0.275 120.094 120.400 -0.052 0.000 2.339 467 D HA 0.086 4.736 4.640 0.017 0.000 0.217 467 D C 0.036 176.310 176.300 -0.042 0.000 1.050 467 D CA 0.074 54.053 54.000 -0.036 0.000 0.856 467 D CB 0.315 41.097 40.800 -0.029 0.000 0.922 467 D HN 0.207 nan 8.370 nan 0.000 0.518 468 I N 1.673 122.199 120.570 -0.073 0.000 2.337 468 I HA 0.022 4.202 4.170 0.017 0.000 0.291 468 I C 0.213 176.299 176.117 -0.052 0.000 1.046 468 I CA -0.353 60.896 61.300 -0.084 0.000 1.324 468 I CB 0.788 38.696 38.000 -0.154 0.000 1.409 468 I HN -0.289 nan 8.210 nan 0.000 0.494 469 D N 6.857 127.248 120.400 -0.015 0.000 2.233 469 D HA 0.280 4.930 4.640 0.017 0.000 0.240 469 D C 0.344 176.677 176.300 0.055 0.000 1.074 469 D CA -0.266 53.750 54.000 0.027 0.000 0.838 469 D CB 1.433 42.253 40.800 0.033 0.000 1.124 469 D HN 0.385 nan 8.370 nan 0.000 0.475 470 L N 2.370 123.668 121.223 0.124 0.000 2.607 470 L HA 0.163 4.513 4.340 0.017 0.000 0.228 470 L C 0.743 177.795 176.870 0.303 0.000 1.123 470 L CA 0.016 55.001 54.840 0.242 0.000 0.890 470 L CB -0.034 42.245 42.059 0.367 0.000 1.103 470 L HN 0.306 nan 8.230 nan 0.000 0.468 471 T N 2.895 117.560 114.554 0.184 0.000 2.853 471 T HA 0.124 4.484 4.350 0.017 0.000 0.298 471 T C -2.171 172.623 174.700 0.156 0.000 0.978 471 T CA -0.874 61.318 62.100 0.152 0.000 1.152 471 T CB 0.345 69.266 68.868 0.088 0.000 0.914 471 T HN -0.019 nan 8.240 nan 0.000 0.539 472 P HA 0.045 nan 4.420 nan 0.000 0.267 472 P C 0.661 178.015 177.300 0.091 0.000 1.200 472 P CA -0.182 63.020 63.100 0.171 0.000 0.772 472 P CB 0.649 32.460 31.700 0.185 0.000 0.855 473 Q N 0.846 120.685 119.800 0.066 0.000 2.230 473 Q HA 0.009 4.359 4.340 0.017 0.000 0.202 473 Q C 0.088 176.117 176.000 0.048 0.000 0.963 473 Q CA 0.988 56.822 55.803 0.052 0.000 0.866 473 Q CB 0.149 28.916 28.738 0.049 0.000 0.931 473 Q HN 0.502 nan 8.270 nan 0.000 0.452 474 E N -0.376 119.856 120.200 0.053 0.000 2.340 474 E HA 0.471 4.831 4.350 0.017 0.000 0.273 474 E C -1.873 174.757 176.600 0.051 0.000 0.891 474 E CA -0.919 55.508 56.400 0.044 0.000 0.757 474 E CB 2.450 32.170 29.700 0.033 0.000 1.231 474 E HN 0.142 nan 8.360 nan 0.000 0.439 475 C N 2.482 121.803 119.300 0.035 0.000 2.919 475 C HA 0.717 5.187 4.460 0.017 0.000 0.337 475 C C 0.410 175.407 174.990 0.012 0.000 1.039 475 C CA -0.013 59.020 59.018 0.026 0.000 1.373 475 C CB -0.679 27.068 27.740 0.011 0.000 1.843 475 C HN 0.944 nan 8.230 nan 0.000 0.493 476 G N 2.597 111.411 108.800 0.024 0.000 3.244 476 G HA2 0.400 4.370 3.960 0.017 0.000 0.197 476 G HA3 0.400 4.370 3.960 0.017 0.000 0.197 476 G C 1.246 176.161 174.900 0.025 0.000 1.531 476 G CA 0.516 45.630 45.100 0.023 0.000 0.747 476 G HN 1.328 nan 8.290 nan 0.000 0.763 477 V N -0.176 119.765 119.914 0.045 0.000 2.287 477 V HA 0.256 4.386 4.120 0.017 0.000 0.248 477 V C 1.236 177.353 176.094 0.040 0.000 1.053 477 V CA 1.799 64.123 62.300 0.039 0.000 1.027 477 V CB -1.177 30.700 31.823 0.091 0.000 0.646 477 V HN 0.832 nan 8.190 nan 0.000 0.447 478 G N -0.724 108.114 108.800 0.063 0.000 2.432 478 G HA2 0.583 4.553 3.960 0.017 0.000 0.331 478 G HA3 0.583 4.553 3.960 0.017 0.000 0.331 478 G C -1.015 173.914 174.900 0.047 0.000 1.170 478 G CA -0.970 44.159 45.100 0.048 0.000 0.943 478 G HN 0.402 nan 8.290 nan 0.000 0.483 479 K N 0.476 120.907 120.400 0.052 0.000 2.159 479 K HA 0.492 4.822 4.320 0.017 0.000 0.266 479 K C -0.654 176.034 176.600 0.147 0.000 0.975 479 K CA -0.360 55.986 56.287 0.099 0.000 0.865 479 K CB 1.959 34.523 32.500 0.106 0.000 1.087 479 K HN 0.309 nan 8.250 nan 0.000 0.446 480 I N 5.389 126.043 120.570 0.140 0.000 2.389 480 I HA 0.281 4.461 4.170 0.017 0.000 0.288 480 I C -2.126 174.026 176.117 0.058 0.000 0.999 480 I CA -2.603 58.760 61.300 0.105 0.000 1.129 480 I CB 1.830 39.866 38.000 0.060 0.000 1.288 480 I HN 0.377 nan 8.210 nan 0.000 0.444 481 P HA 0.199 nan 4.420 nan 0.000 0.272 481 P C -2.619 174.589 177.300 -0.154 0.000 1.230 481 P CA -1.453 61.338 63.100 -0.516 0.000 0.788 481 P CB -0.196 30.911 31.700 -0.988 0.000 0.949 482 P HA 0.051 nan 4.420 nan 0.000 0.272 482 P C -0.052 177.294 177.300 0.076 0.000 1.230 482 P CA 0.258 63.365 63.100 0.012 0.000 0.788 482 P CB -0.003 31.713 31.700 0.027 0.000 0.949 483 T N 2.000 116.588 114.554 0.057 0.000 2.918 483 T HA 0.386 4.746 4.350 0.017 0.000 0.302 483 T C -0.174 174.593 174.700 0.111 0.000 1.045 483 T CA 0.656 62.766 62.100 0.017 0.000 1.114 483 T CB -0.327 68.525 68.868 -0.028 0.000 0.965 483 T HN 0.430 nan 8.240 nan 0.000 0.540 484 Y N -0.407 119.863 120.300 -0.050 0.000 2.638 484 Y HA 0.655 5.215 4.550 0.016 0.000 0.335 484 Y C -0.929 174.939 175.900 -0.052 0.000 1.155 484 Y CA -1.502 56.570 58.100 -0.047 0.000 1.046 484 Y CB 1.062 39.494 38.460 -0.047 0.000 1.303 484 Y HN 0.253 nan 8.280 nan 0.000 0.460 485 Q N 2.266 122.093 119.800 0.045 0.000 2.266 485 Q HA 0.661 5.011 4.340 0.017 0.000 0.261 485 Q C -1.269 174.746 176.000 0.025 0.000 0.985 485 Q CA -0.802 54.970 55.803 -0.052 0.000 0.873 485 Q CB 3.245 31.958 28.738 -0.042 0.000 1.306 485 Q HN 0.919 nan 8.270 nan 0.000 0.447 486 I N 0.738 121.248 120.570 -0.101 0.000 2.913 486 I HA 0.496 4.676 4.170 0.017 0.000 0.302 486 I C -1.469 174.441 176.117 -0.345 0.000 1.246 486 I CA -0.857 60.326 61.300 -0.196 0.000 1.010 486 I CB 2.297 40.167 38.000 -0.217 0.000 1.259 486 I HN 0.642 nan 8.210 nan 0.000 0.434 487 R N 4.135 124.390 120.500 -0.409 0.000 2.750 487 R HA 0.602 4.952 4.340 0.017 0.000 0.281 487 R C -2.203 173.778 176.300 -0.531 0.000 0.972 487 R CA -0.624 55.259 56.100 -0.362 0.000 0.912 487 R CB 1.534 31.746 30.300 -0.147 0.000 1.187 487 R HN 0.315 nan 8.270 nan 0.000 0.464 488 F N 2.546 122.432 119.950 -0.108 0.000 2.411 488 F HA 0.429 4.966 4.527 0.017 0.000 0.352 488 F C -0.294 175.574 175.800 0.114 0.000 1.123 488 F CA -0.905 57.041 58.000 -0.090 0.000 1.044 488 F CB 1.652 40.341 39.000 -0.518 0.000 1.135 488 F HN 0.182 nan 8.300 nan 0.000 0.461 489 L N 5.504 126.946 121.223 0.365 0.000 2.287 489 L HA 0.509 4.859 4.340 0.017 0.000 0.287 489 L C -2.512 174.547 176.870 0.316 0.000 1.022 489 L CA -2.234 52.774 54.840 0.279 0.000 0.814 489 L CB 1.217 43.346 42.059 0.118 0.000 1.217 489 L HN 0.314 nan 8.230 nan 0.000 0.420 490 P HA 0.131 nan 4.420 nan 0.000 0.268 490 P C 0.129 177.361 177.300 -0.113 0.000 1.204 490 P CA -0.135 62.906 63.100 -0.098 0.000 0.768 490 P CB 0.681 32.349 31.700 -0.053 0.000 0.842 491 R N 0.823 121.195 120.500 -0.213 0.000 2.148 491 R HA -0.009 4.341 4.340 0.017 0.000 0.223 491 R C 1.477 177.715 176.300 -0.104 0.000 1.088 491 R CA 1.184 57.184 56.100 -0.166 0.000 0.985 491 R CB -0.518 29.649 30.300 -0.221 0.000 0.880 491 R HN 0.711 nan 8.270 nan 0.000 0.451 492 H N 0.000 119.008 119.070 -0.103 0.000 2.539 492 H HA 0.000 4.566 4.556 0.017 0.000 0.296 492 H CA 0.000 56.017 56.048 -0.052 0.000 1.023 492 H CB 0.000 29.741 29.762 -0.035 0.000 1.292 492 H HN 0.000 nan 8.280 nan 0.000 0.496