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 2nmp_1_A DATA FIRST_RESID 10 DATA SEQUENCE GFLPHFQHFA TQAIHVGQDP EQWTSRAVVP PISLSTTFKQ XXXXXXXXXX DATA SEQUENCE XXXXGNPTRN CLEKAVAALD GAKYCLAFAS GLAATVTITH LLKAGDQIIC DATA SEQUENCE MDDVYGGTNR YFRQVASEFG LKISFVDCSK IKLLEAAITP ETKLVWIETP DATA SEQUENCE TNPTQKVIDI EGCAHIVHKH GDIILVVDNT FMSPYFQRPL ALGADISMYS DATA SEQUENCE ATKYMNGHSD VVMGLVSVNC ESLHNRLRFL QNSLGAVPSP IDCYLCNRGL DATA SEQUENCE KTLHVRMEKH FKNGMAVAQF LESNPWVEKV IYPGLPSHPQ HELVKRQCTG DATA SEQUENCE CTGMVTFYIK GTLQHAEIFL KNLKLFTLAE SLGGFESLAE LPAIMTHASV DATA SEQUENCE LKNDRDVLGI SDTLIRLSVG LEDEEDLLED LDQALKAAHP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.799 174.900 -0.168 0.000 0.946 10 G CA 0.000 45.064 45.100 -0.060 0.000 0.502 11 F N 0.688 120.575 119.950 -0.106 0.000 2.403 11 F HA 0.594 5.121 4.527 -0.001 0.000 0.320 11 F C 0.997 176.680 175.800 -0.195 0.000 1.176 11 F CA -0.975 56.923 58.000 -0.171 0.000 1.206 11 F CB 0.587 39.462 39.000 -0.208 0.000 1.235 11 F HN -0.108 nan 8.300 nan 0.000 0.565 12 L N 3.720 124.934 121.223 -0.015 0.000 2.628 12 L HA -0.002 4.338 4.340 -0.000 0.000 0.292 12 L C -2.152 174.579 176.870 -0.231 0.000 1.250 12 L CA -1.048 53.727 54.840 -0.107 0.000 0.892 12 L CB -0.646 41.348 42.059 -0.108 0.000 1.138 12 L HN 0.304 nan 8.230 nan 0.000 0.502 13 P HA 0.104 nan 4.420 nan 0.000 0.271 13 P C -0.908 176.162 177.300 -0.383 0.000 1.218 13 P CA -0.167 62.795 63.100 -0.230 0.000 0.780 13 P CB 0.318 31.960 31.700 -0.097 0.000 0.901 14 H N 0.880 119.781 119.070 -0.282 0.000 2.948 14 H HA 0.038 4.594 4.556 -0.001 0.000 0.351 14 H C 0.057 175.192 175.328 -0.322 0.000 1.079 14 H CA 0.368 56.149 56.048 -0.445 0.000 1.407 14 H CB -0.132 29.461 29.762 -0.283 0.000 1.373 14 H HN 0.352 nan 8.280 nan 0.000 0.605 15 F N 1.695 121.678 119.950 0.055 0.000 2.506 15 F HA 0.028 4.555 4.527 0.000 0.000 0.371 15 F C 1.035 176.887 175.800 0.087 0.000 1.078 15 F CA -0.434 57.611 58.000 0.076 0.000 1.195 15 F CB 0.323 39.409 39.000 0.143 0.000 1.099 15 F HN 0.398 nan 8.300 nan 0.000 0.548 16 Q N 3.022 122.929 119.800 0.178 0.000 2.315 16 Q HA -0.022 4.317 4.340 -0.000 0.000 0.289 16 Q C 0.096 176.111 176.000 0.025 0.000 1.044 16 Q CA 0.718 56.480 55.803 -0.068 0.000 0.920 16 Q CB 0.184 28.739 28.738 -0.304 0.000 1.214 16 Q HN 0.861 nan 8.270 nan 0.000 0.392 17 H N -0.220 118.950 119.070 0.167 0.000 3.428 17 H HA -0.240 4.316 4.556 -0.001 0.000 0.204 17 H C 0.437 175.844 175.328 0.132 0.000 1.078 17 H CA 0.578 56.697 56.048 0.117 0.000 1.183 17 H CB -1.639 28.159 29.762 0.061 0.000 1.132 17 H HN 0.721 nan 8.280 nan 0.000 0.323 18 F N 1.517 121.566 119.950 0.165 0.000 2.046 18 F HA -0.219 4.308 4.527 -0.000 0.000 0.297 18 F C 2.553 178.351 175.800 -0.004 0.000 1.123 18 F CA 2.111 60.187 58.000 0.127 0.000 1.199 18 F CB -0.421 38.719 39.000 0.233 0.000 0.972 18 F HN 0.265 nan 8.300 nan 0.000 0.474 19 A N -0.618 122.322 122.820 0.201 0.000 1.892 19 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 19 A C 2.152 179.679 177.584 -0.095 0.000 1.188 19 A CA 2.552 54.463 52.037 -0.210 0.000 0.631 19 A CB -1.509 17.369 19.000 -0.203 0.000 0.822 19 A HN 0.483 nan 8.150 nan 0.000 0.447 20 T N -0.169 114.413 114.554 0.046 0.000 2.746 20 T HA -0.156 4.193 4.350 -0.000 0.000 0.267 20 T C 2.039 176.791 174.700 0.087 0.000 1.039 20 T CA 1.752 63.915 62.100 0.104 0.000 1.142 20 T CB -0.221 68.702 68.868 0.092 0.000 0.866 20 T HN 0.646 nan 8.240 nan 0.000 0.444 21 Q N 0.251 120.041 119.800 -0.017 0.000 2.187 21 Q HA 0.186 4.526 4.340 -0.000 0.000 0.199 21 Q C 2.661 178.574 176.000 -0.145 0.000 0.957 21 Q CA 0.880 56.637 55.803 -0.078 0.000 0.857 21 Q CB -0.169 28.491 28.738 -0.130 0.000 0.929 21 Q HN 0.517 nan 8.270 nan 0.000 0.453 22 A N 0.659 123.341 122.820 -0.230 0.000 2.019 22 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 22 A C 1.884 179.379 177.584 -0.148 0.000 1.164 22 A CA 1.032 52.930 52.037 -0.232 0.000 0.644 22 A CB -0.304 18.547 19.000 -0.249 0.000 0.805 22 A HN 0.291 nan 8.150 nan 0.000 0.449 23 I N -2.389 118.102 120.570 -0.131 0.000 2.867 23 I HA -0.017 4.152 4.170 -0.000 0.000 0.265 23 I C 1.959 177.890 176.117 -0.310 0.000 1.162 23 I CA 0.654 61.830 61.300 -0.207 0.000 1.471 23 I CB -0.119 37.755 38.000 -0.210 0.000 1.123 23 I HN 0.371 nan 8.210 nan 0.000 0.440 24 H N -0.509 118.528 119.070 -0.054 0.000 2.885 24 H HA 0.294 4.850 4.556 -0.001 0.000 0.260 24 H C 0.478 175.777 175.328 -0.047 0.000 0.985 24 H CA 0.154 56.178 56.048 -0.039 0.000 1.210 24 H CB 0.836 30.572 29.762 -0.044 0.000 1.466 24 H HN -0.023 nan 8.280 nan 0.000 0.493 25 V N 1.593 121.526 119.914 0.032 0.000 2.521 25 V HA 0.191 4.311 4.120 -0.000 0.000 0.286 25 V C 1.328 177.417 176.094 -0.009 0.000 1.034 25 V CA 1.206 63.498 62.300 -0.013 0.000 1.045 25 V CB 0.716 32.502 31.823 -0.061 0.000 0.974 25 V HN 0.793 nan 8.190 nan 0.000 0.480 26 G N 4.308 113.108 108.800 -0.001 0.000 2.179 26 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 26 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 26 G C 0.512 175.460 174.900 0.080 0.000 0.977 26 G CA 0.306 45.420 45.100 0.024 0.000 0.641 26 G HN 0.626 nan 8.290 nan 0.000 0.533 27 Q N 0.387 120.230 119.800 0.072 0.000 2.179 27 Q HA 0.161 4.501 4.340 -0.000 0.000 0.213 27 Q C 0.202 176.276 176.000 0.123 0.000 0.833 27 Q CA -0.266 55.613 55.803 0.126 0.000 0.990 27 Q CB 0.522 29.292 28.738 0.053 0.000 1.132 27 Q HN 0.616 nan 8.270 nan 0.000 0.493 28 D N 2.742 123.158 120.400 0.026 0.000 2.412 28 D HA -0.004 4.636 4.640 -0.000 0.000 0.257 28 D C -1.617 174.593 176.300 -0.151 0.000 1.217 28 D CA -1.346 52.626 54.000 -0.047 0.000 0.897 28 D CB 1.512 42.249 40.800 -0.104 0.000 1.132 28 D HN -0.040 nan 8.370 nan 0.000 0.493 29 P HA -0.112 nan 4.420 nan 0.000 0.221 29 P C 0.732 177.921 177.300 -0.185 0.000 1.145 29 P CA 0.790 63.884 63.100 -0.010 0.000 0.795 29 P CB 0.371 32.118 31.700 0.078 0.000 0.775 30 E N -0.507 119.563 120.200 -0.217 0.000 2.401 30 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 30 E C 1.884 178.270 176.600 -0.356 0.000 1.023 30 E CA 0.788 57.061 56.400 -0.213 0.000 0.859 30 E CB -0.700 28.908 29.700 -0.153 0.000 0.780 30 E HN 0.435 nan 8.360 nan 0.000 0.523 31 Q N -1.164 118.199 119.800 -0.728 0.000 2.297 31 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 31 Q C -0.231 175.325 176.000 -0.741 0.000 0.962 31 Q CA 0.695 55.885 55.803 -1.021 0.000 0.879 31 Q CB 0.120 27.671 28.738 -1.979 0.000 0.947 31 Q HN 0.316 nan 8.270 nan 0.000 0.462 32 W N -0.852 120.455 121.300 0.012 0.000 2.736 32 W HA 0.273 4.933 4.660 -0.000 0.000 0.335 32 W C 1.009 177.534 176.519 0.010 0.000 1.059 32 W CA -0.861 56.491 57.345 0.013 0.000 1.226 32 W CB 0.708 30.176 29.460 0.013 0.000 1.416 32 W HN -0.182 nan 8.180 nan 0.000 0.505 33 T N -1.901 112.786 114.554 0.222 0.000 2.803 33 T HA -0.292 4.058 4.350 -0.000 0.000 0.269 33 T C 1.791 176.562 174.700 0.118 0.000 1.052 33 T CA 1.963 64.137 62.100 0.125 0.000 1.136 33 T CB -0.549 68.375 68.868 0.093 0.000 0.864 33 T HN 0.538 nan 8.240 nan 0.000 0.467 34 S N 1.503 117.295 115.700 0.155 0.000 2.447 34 S HA -0.080 4.389 4.470 -0.000 0.000 0.233 34 S C 1.073 175.749 174.600 0.127 0.000 1.006 34 S CA 0.186 58.455 58.200 0.115 0.000 0.957 34 S CB -0.452 62.803 63.200 0.092 0.000 0.773 34 S HN 0.457 nan 8.310 nan 0.000 0.507 35 R N 0.447 121.057 120.500 0.184 0.000 3.651 35 R HA -0.119 4.221 4.340 -0.000 0.000 0.292 35 R C 0.260 176.680 176.300 0.199 0.000 1.161 35 R CA 0.731 56.930 56.100 0.164 0.000 0.787 35 R CB -3.016 27.334 30.300 0.084 0.000 1.249 35 R HN 0.731 nan 8.270 nan 0.000 0.476 36 A N 0.404 123.385 122.820 0.269 0.000 2.546 36 A HA 0.264 4.584 4.320 -0.000 0.000 0.243 36 A C 1.691 179.418 177.584 0.239 0.000 1.063 36 A CA 0.330 52.478 52.037 0.184 0.000 0.757 36 A CB 0.596 19.633 19.000 0.061 0.000 0.991 36 A HN 0.097 nan 8.150 nan 0.000 0.503 37 V N 3.175 123.174 119.914 0.142 0.000 2.427 37 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 37 V C 0.981 177.153 176.094 0.131 0.000 1.051 37 V CA 1.558 63.935 62.300 0.128 0.000 1.048 37 V CB -0.166 31.704 31.823 0.077 0.000 0.666 37 V HN 0.604 nan 8.190 nan 0.000 0.456 38 V N 1.261 121.235 119.914 0.100 0.000 2.481 38 V HA 0.328 4.448 4.120 -0.000 0.000 0.286 38 V C -2.339 173.787 176.094 0.053 0.000 1.042 38 V CA -1.868 60.491 62.300 0.099 0.000 0.928 38 V CB 1.042 32.933 31.823 0.112 0.000 0.986 38 V HN 0.295 nan 8.190 nan 0.000 0.462 39 P HA 0.265 nan 4.420 nan 0.000 0.271 39 P C -2.536 174.520 177.300 -0.408 0.000 1.216 39 P CA -1.003 61.932 63.100 -0.276 0.000 0.771 39 P CB -0.097 31.605 31.700 0.004 0.000 0.864 40 P HA 0.055 nan 4.420 nan 0.000 0.269 40 P C -0.343 176.738 177.300 -0.365 0.000 1.211 40 P CA 0.348 63.149 63.100 -0.498 0.000 0.781 40 P CB 0.269 31.651 31.700 -0.530 0.000 0.877 41 I N 0.745 121.125 120.570 -0.317 0.000 2.301 41 I HA 0.123 4.293 4.170 -0.000 0.000 0.292 41 I C 0.641 176.658 176.117 -0.166 0.000 1.046 41 I CA 0.000 61.166 61.300 -0.224 0.000 1.282 41 I CB 0.563 38.396 38.000 -0.279 0.000 1.409 41 I HN 0.180 nan 8.210 nan 0.000 0.484 42 S N 6.630 122.265 115.700 -0.108 0.000 2.404 42 S HA 0.399 4.868 4.470 -0.000 0.000 0.309 42 S C 0.924 175.505 174.600 -0.030 0.000 1.076 42 S CA -0.595 57.568 58.200 -0.061 0.000 1.095 42 S CB 0.531 63.733 63.200 0.003 0.000 0.972 42 S HN 0.619 nan 8.310 nan 0.000 0.484 43 L N 3.543 124.728 121.223 -0.063 0.000 2.375 43 L HA 0.147 4.487 4.340 -0.000 0.000 0.215 43 L C 1.571 178.394 176.870 -0.079 0.000 1.108 43 L CA 0.087 54.891 54.840 -0.060 0.000 0.830 43 L CB -0.160 41.855 42.059 -0.074 0.000 0.959 43 L HN 0.568 nan 8.230 nan 0.000 0.457 44 S N -0.338 115.274 115.700 -0.146 0.000 2.550 44 S HA -0.072 4.398 4.470 -0.000 0.000 0.285 44 S C 1.245 175.683 174.600 -0.271 0.000 1.326 44 S CA 0.670 58.696 58.200 -0.290 0.000 1.037 44 S CB 0.598 63.477 63.200 -0.535 0.000 0.838 44 S HN 0.469 nan 8.310 nan 0.000 0.519 45 T N -0.090 114.303 114.554 -0.269 0.000 3.043 45 T HA 0.317 4.666 4.350 -0.000 0.000 0.272 45 T C 0.112 174.728 174.700 -0.140 0.000 0.990 45 T CA -0.266 61.776 62.100 -0.098 0.000 0.897 45 T CB 0.131 68.975 68.868 -0.040 0.000 1.111 45 T HN 0.508 nan 8.240 nan 0.000 0.529 46 T N 1.631 115.926 114.554 -0.432 0.000 2.893 46 T HA 0.727 5.077 4.350 -0.000 0.000 0.291 46 T C -1.595 172.701 174.700 -0.674 0.000 1.028 46 T CA -0.540 61.378 62.100 -0.302 0.000 0.995 46 T CB 1.598 70.374 68.868 -0.153 0.000 1.051 46 T HN 0.173 nan 8.240 nan 0.000 0.470 47 F N 1.166 121.116 119.950 -0.001 0.000 2.573 47 F HA 0.454 4.982 4.527 0.001 0.000 0.316 47 F C 0.179 175.981 175.800 0.004 0.000 1.148 47 F CA -1.143 56.859 58.000 0.003 0.000 0.940 47 F CB 1.905 40.909 39.000 0.007 0.000 1.214 47 F HN 0.347 nan 8.300 nan 0.000 0.448 48 K N 3.860 124.345 120.400 0.142 0.000 2.383 48 K HA 0.245 4.564 4.320 -0.000 0.000 0.286 48 K C -0.429 176.226 176.600 0.091 0.000 1.051 48 K CA 0.010 56.347 56.287 0.084 0.000 0.974 48 K CB 0.642 33.172 32.500 0.049 0.000 0.968 48 K HN 0.768 nan 8.250 nan 0.000 0.475 65 N N -0.243 118.455 118.700 -0.003 0.000 2.472 65 N HA 0.478 5.217 4.740 -0.000 0.000 0.289 65 N C -2.158 173.399 175.510 0.078 0.000 1.156 65 N CA -1.513 51.572 53.050 0.059 0.000 0.940 65 N CB 2.622 41.193 38.487 0.140 0.000 1.200 65 N HN 0.047 nan 8.380 nan 0.000 0.511 66 P HA -0.053 nan 4.420 nan 0.000 0.216 66 P C 0.993 178.386 177.300 0.155 0.000 1.150 66 P CA 1.732 64.946 63.100 0.191 0.000 0.837 66 P CB 0.098 31.958 31.700 0.266 0.000 0.786 67 T N -1.249 113.351 114.554 0.078 0.000 2.857 67 T HA -0.068 4.281 4.350 -0.000 0.000 0.266 67 T C 1.885 176.626 174.700 0.067 0.000 1.048 67 T CA 0.816 62.953 62.100 0.060 0.000 1.139 67 T CB -0.336 68.552 68.868 0.033 0.000 0.874 67 T HN 0.096 nan 8.240 nan 0.000 0.455 68 R N 1.163 121.694 120.500 0.052 0.000 2.066 68 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 68 R C 2.196 178.516 176.300 0.034 0.000 1.131 68 R CA 1.302 57.418 56.100 0.027 0.000 0.955 68 R CB -0.156 30.144 30.300 0.001 0.000 0.851 68 R HN 0.237 nan 8.270 nan 0.000 0.432 69 N N 0.408 119.141 118.700 0.055 0.000 2.061 69 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 69 N C 1.831 177.385 175.510 0.073 0.000 1.030 69 N CA 1.705 54.793 53.050 0.063 0.000 0.856 69 N CB -0.817 37.714 38.487 0.074 0.000 1.023 69 N HN 0.302 nan 8.380 nan 0.000 0.424 70 C N 0.476 119.845 119.300 0.114 0.000 2.413 70 C HA -0.053 4.406 4.460 -0.000 0.000 0.276 70 C C 2.741 177.760 174.990 0.048 0.000 1.248 70 C CA 0.142 59.226 59.018 0.110 0.000 1.742 70 C CB -1.327 26.522 27.740 0.181 0.000 2.017 70 C HN 0.455 nan 8.230 nan 0.000 0.481 71 L N 1.534 122.776 121.223 0.033 0.000 2.046 71 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 71 L C 2.430 179.295 176.870 -0.007 0.000 1.077 71 L CA 1.957 56.796 54.840 -0.002 0.000 0.747 71 L CB -0.860 41.195 42.059 -0.006 0.000 0.896 71 L HN 0.374 nan 8.230 nan 0.000 0.432 72 E N -0.296 119.909 120.200 0.008 0.000 2.058 72 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 72 E C 2.135 178.739 176.600 0.008 0.000 0.997 72 E CA 1.523 57.934 56.400 0.018 0.000 0.801 72 E CB -0.168 29.555 29.700 0.037 0.000 0.746 72 E HN 0.500 nan 8.360 nan 0.000 0.450 73 K N 0.518 120.920 120.400 0.004 0.000 2.044 73 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 73 K C 2.290 178.859 176.600 -0.051 0.000 1.049 73 K CA 1.241 57.514 56.287 -0.024 0.000 0.927 73 K CB -0.290 32.200 32.500 -0.018 0.000 0.713 73 K HN 0.074 nan 8.250 nan 0.000 0.443 74 A N 1.182 123.972 122.820 -0.050 0.000 1.908 74 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 74 A C 2.451 179.967 177.584 -0.114 0.000 1.181 74 A CA 1.688 53.672 52.037 -0.087 0.000 0.627 74 A CB -0.673 18.278 19.000 -0.082 0.000 0.818 74 A HN 0.096 nan 8.150 nan 0.000 0.445 75 V N -0.228 119.635 119.914 -0.085 0.000 2.379 75 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 75 V C 3.039 179.094 176.094 -0.066 0.000 1.044 75 V CA 1.660 63.903 62.300 -0.094 0.000 1.036 75 V CB -1.381 30.398 31.823 -0.074 0.000 0.664 75 V HN 0.628 nan 8.190 nan 0.000 0.453 76 A N 0.574 123.371 122.820 -0.039 0.000 1.884 76 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 76 A C 2.468 180.001 177.584 -0.086 0.000 1.197 76 A CA 2.843 54.855 52.037 -0.042 0.000 0.637 76 A CB -1.105 17.861 19.000 -0.057 0.000 0.827 76 A HN 0.620 nan 8.150 nan 0.000 0.450 77 A N -0.571 122.180 122.820 -0.115 0.000 1.908 77 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 77 A C 2.192 179.668 177.584 -0.181 0.000 1.181 77 A CA 1.664 53.616 52.037 -0.141 0.000 0.627 77 A CB -0.646 18.265 19.000 -0.149 0.000 0.818 77 A HN 0.516 nan 8.150 nan 0.000 0.445 78 L N -0.821 120.263 121.223 -0.232 0.000 2.141 78 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 78 L C 1.679 178.493 176.870 -0.093 0.000 1.094 78 L CA 1.290 55.931 54.840 -0.332 0.000 0.763 78 L CB -0.536 41.294 42.059 -0.382 0.000 0.908 78 L HN 0.331 nan 8.230 nan 0.000 0.437 79 D N 0.089 120.463 120.400 -0.043 0.000 2.349 79 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 79 D C 1.476 177.740 176.300 -0.061 0.000 1.029 79 D CA 0.930 54.941 54.000 0.019 0.000 0.879 79 D CB 0.327 41.185 40.800 0.097 0.000 0.906 79 D HN 0.397 nan 8.370 nan 0.000 0.528 80 G N 0.769 109.507 108.800 -0.103 0.000 2.179 80 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 80 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 80 G C 0.406 175.255 174.900 -0.085 0.000 1.010 80 G CA 0.490 45.523 45.100 -0.111 0.000 0.736 80 G HN 0.573 nan 8.290 nan 0.000 0.513 81 A N -0.883 121.894 122.820 -0.073 0.000 2.306 81 A HA 0.820 5.140 4.320 -0.000 0.000 0.330 81 A C 1.179 178.674 177.584 -0.149 0.000 1.146 81 A CA 0.296 52.293 52.037 -0.066 0.000 0.827 81 A CB 0.800 19.799 19.000 -0.002 0.000 1.178 81 A HN 0.198 nan 8.150 nan 0.000 0.490 82 K N -0.371 119.894 120.400 -0.224 0.000 2.103 82 K HA -0.000 4.320 4.320 -0.000 0.000 0.204 82 K C -0.643 175.494 176.600 -0.773 0.000 1.052 82 K CA 1.413 57.368 56.287 -0.554 0.000 0.945 82 K CB -0.102 31.964 32.500 -0.723 0.000 0.722 82 K HN 0.709 nan 8.250 nan 0.000 0.443 83 Y N -1.976 118.251 120.300 -0.122 0.000 2.605 83 Y HA 0.406 4.955 4.550 -0.001 0.000 0.343 83 Y C -0.442 175.467 175.900 0.014 0.000 1.036 83 Y CA -1.314 56.709 58.100 -0.128 0.000 1.065 83 Y CB 1.889 40.117 38.460 -0.387 0.000 1.288 83 Y HN -0.147 nan 8.280 nan 0.000 0.481 84 C N 1.964 121.407 119.300 0.240 0.000 3.082 84 C HA 0.823 5.283 4.460 -0.000 0.000 0.324 84 C C -1.937 173.157 174.990 0.174 0.000 1.210 84 C CA -0.777 58.360 59.018 0.199 0.000 1.366 84 C CB 0.469 28.281 27.740 0.120 0.000 1.756 84 C HN 0.747 nan 8.230 nan 0.000 0.485 85 L N 4.168 125.480 121.223 0.147 0.000 2.386 85 L HA 0.826 5.165 4.340 -0.000 0.000 0.271 85 L C 0.300 177.066 176.870 -0.174 0.000 0.993 85 L CA -0.054 54.756 54.840 -0.050 0.000 0.819 85 L CB 1.731 43.776 42.059 -0.024 0.000 1.294 85 L HN 0.873 nan 8.230 nan 0.000 0.414 86 A N 2.626 125.224 122.820 -0.369 0.000 2.324 86 A HA 0.929 5.249 4.320 -0.000 0.000 0.330 86 A C -1.132 176.122 177.584 -0.549 0.000 1.165 86 A CA -0.257 51.627 52.037 -0.255 0.000 0.813 86 A CB 0.628 19.568 19.000 -0.101 0.000 1.197 86 A HN 0.503 nan 8.150 nan 0.000 0.484 87 F N -0.281 119.695 119.950 0.043 0.000 2.650 87 F HA 0.571 5.097 4.527 -0.001 0.000 0.320 87 F C 1.199 177.011 175.800 0.019 0.000 1.091 87 F CA -0.106 57.909 58.000 0.025 0.000 0.962 87 F CB 2.172 41.190 39.000 0.030 0.000 1.363 87 F HN 0.591 nan 8.300 nan 0.000 0.482 88 A N 0.184 123.138 122.820 0.223 0.000 2.167 88 A HA 0.372 4.691 4.320 -0.000 0.000 0.214 88 A C 0.237 177.876 177.584 0.092 0.000 1.151 88 A CA 1.115 53.219 52.037 0.111 0.000 0.735 88 A CB -0.603 18.442 19.000 0.075 0.000 0.802 88 A HN 0.750 nan 8.150 nan 0.000 0.467 89 S N -4.695 111.073 115.700 0.112 0.000 2.611 89 S HA 0.461 4.931 4.470 -0.000 0.000 0.270 89 S C 0.816 175.462 174.600 0.076 0.000 1.131 89 S CA -0.007 58.237 58.200 0.073 0.000 0.826 89 S CB 0.641 63.861 63.200 0.033 0.000 1.095 89 S HN 0.731 nan 8.310 nan 0.000 0.461 90 G N 0.273 109.109 108.800 0.060 0.000 2.448 90 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.219 90 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.219 90 G C 1.059 175.957 174.900 -0.003 0.000 1.127 90 G CA 0.741 45.877 45.100 0.060 0.000 0.766 90 G HN 0.650 nan 8.290 nan 0.000 0.552 91 L N 0.402 121.605 121.223 -0.033 0.000 2.046 91 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 91 L C 3.297 180.042 176.870 -0.209 0.000 1.077 91 L CA 1.139 55.912 54.840 -0.113 0.000 0.747 91 L CB -0.208 41.808 42.059 -0.071 0.000 0.896 91 L HN 0.325 nan 8.230 nan 0.000 0.432 92 A N -0.712 122.022 122.820 -0.143 0.000 2.066 92 A HA -0.034 4.285 4.320 -0.000 0.000 0.218 92 A C 2.409 179.770 177.584 -0.371 0.000 1.157 92 A CA 1.236 53.158 52.037 -0.192 0.000 0.670 92 A CB -0.462 18.508 19.000 -0.052 0.000 0.804 92 A HN 0.428 nan 8.150 nan 0.000 0.453 93 A N -0.651 121.952 122.820 -0.361 0.000 1.930 93 A HA -0.059 4.260 4.320 -0.000 0.000 0.217 93 A C 2.249 179.646 177.584 -0.312 0.000 1.175 93 A CA 2.146 53.810 52.037 -0.621 0.000 0.627 93 A CB -1.082 17.792 19.000 -0.210 0.000 0.815 93 A HN 0.405 nan 8.150 nan 0.000 0.443 94 T N -0.450 114.007 114.554 -0.161 0.000 2.867 94 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 94 T C 1.831 176.407 174.700 -0.207 0.000 1.057 94 T CA 1.469 63.496 62.100 -0.122 0.000 1.136 94 T CB -0.278 68.359 68.868 -0.385 0.000 0.874 94 T HN 0.162 nan 8.240 nan 0.000 0.466 95 V N 1.537 121.219 119.914 -0.385 0.000 2.379 95 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 95 V C 2.798 178.897 176.094 0.009 0.000 1.044 95 V CA 1.808 63.923 62.300 -0.309 0.000 1.036 95 V CB -1.113 30.444 31.823 -0.442 0.000 0.664 95 V HN 0.483 nan 8.190 nan 0.000 0.453 96 T N 0.573 115.019 114.554 -0.181 0.000 2.684 96 T HA -0.163 4.186 4.350 -0.000 0.000 0.267 96 T C 1.845 176.573 174.700 0.048 0.000 1.036 96 T CA 1.931 63.953 62.100 -0.129 0.000 1.148 96 T CB -0.321 68.325 68.868 -0.370 0.000 0.863 96 T HN 0.317 nan 8.240 nan 0.000 0.436 97 I N 1.374 121.963 120.570 0.032 0.000 2.118 97 I HA -0.239 3.931 4.170 -0.000 0.000 0.241 97 I C 2.707 178.964 176.117 0.235 0.000 1.070 97 I CA 1.433 62.839 61.300 0.178 0.000 1.327 97 I CB -0.841 37.341 38.000 0.303 0.000 1.034 97 I HN 0.272 nan 8.210 nan 0.000 0.405 98 T N -1.308 113.410 114.554 0.274 0.000 2.803 98 T HA -0.236 4.113 4.350 -0.000 0.000 0.269 98 T C 1.585 176.367 174.700 0.136 0.000 1.052 98 T CA 1.424 63.678 62.100 0.256 0.000 1.136 98 T CB -0.557 68.539 68.868 0.380 0.000 0.864 98 T HN 0.390 nan 8.240 nan 0.000 0.467 99 H N 0.391 119.526 119.070 0.108 0.000 2.567 99 H HA 0.193 4.748 4.556 -0.001 0.000 0.276 99 H C 1.745 177.126 175.328 0.088 0.000 1.016 99 H CA 0.406 56.500 56.048 0.078 0.000 1.186 99 H CB -0.530 29.263 29.762 0.052 0.000 1.351 99 H HN 0.288 nan 8.280 nan 0.000 0.605 100 L N -0.217 121.108 121.223 0.170 0.000 2.291 100 L HA -0.026 4.314 4.340 -0.000 0.000 0.214 100 L C 0.507 177.424 176.870 0.079 0.000 1.120 100 L CA 0.412 55.328 54.840 0.126 0.000 0.799 100 L CB -0.045 42.086 42.059 0.121 0.000 0.925 100 L HN 0.187 nan 8.230 nan 0.000 0.446 101 L N -0.544 120.713 121.223 0.057 0.000 2.440 101 L HA 0.378 4.718 4.340 -0.000 0.000 0.262 101 L C -0.184 176.691 176.870 0.007 0.000 1.072 101 L CA -0.826 54.030 54.840 0.026 0.000 0.798 101 L CB 0.885 42.953 42.059 0.014 0.000 1.307 101 L HN -0.014 nan 8.230 nan 0.000 0.475 102 K N -0.255 120.147 120.400 0.002 0.000 2.400 102 K HA 0.780 5.100 4.320 -0.000 0.000 0.246 102 K C -0.898 175.702 176.600 0.000 0.000 0.995 102 K CA -0.935 55.354 56.287 0.002 0.000 0.840 102 K CB 1.572 34.077 32.500 0.008 0.000 1.293 102 K HN 0.515 nan 8.250 nan 0.000 0.445 103 A N 0.266 123.093 122.820 0.012 0.000 2.520 103 A HA 0.403 4.723 4.320 -0.000 0.000 0.235 103 A C 1.265 178.852 177.584 0.005 0.000 1.065 103 A CA 0.960 53.008 52.037 0.018 0.000 0.764 103 A CB -1.137 17.885 19.000 0.036 0.000 1.002 103 A HN 1.295 nan 8.150 nan 0.000 0.502 104 G N 1.377 110.175 108.800 -0.003 0.000 2.194 104 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.236 104 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.236 104 G C -0.051 174.839 174.900 -0.018 0.000 0.987 104 G CA 0.397 45.491 45.100 -0.010 0.000 0.635 104 G HN 0.830 nan 8.290 nan 0.000 0.520 105 D N 0.158 120.545 120.400 -0.021 0.000 2.387 105 D HA 0.565 5.204 4.640 -0.000 0.000 0.251 105 D C 0.423 176.693 176.300 -0.050 0.000 1.141 105 D CA -0.001 53.982 54.000 -0.028 0.000 0.987 105 D CB 0.990 41.778 40.800 -0.020 0.000 1.116 105 D HN 0.440 nan 8.370 nan 0.000 0.491 106 Q N 0.430 120.193 119.800 -0.061 0.000 2.365 106 Q HA 0.567 4.907 4.340 -0.000 0.000 0.269 106 Q C -1.298 174.626 176.000 -0.127 0.000 1.061 106 Q CA -0.663 55.082 55.803 -0.096 0.000 0.816 106 Q CB 1.365 30.053 28.738 -0.083 0.000 1.325 106 Q HN 0.403 nan 8.270 nan 0.000 0.446 107 I N 3.991 124.433 120.570 -0.213 0.000 2.441 107 I HA 0.407 4.576 4.170 -0.000 0.000 0.295 107 I C -0.436 175.485 176.117 -0.328 0.000 0.994 107 I CA -0.853 60.268 61.300 -0.298 0.000 1.144 107 I CB 1.738 39.416 38.000 -0.538 0.000 1.314 107 I HN 0.561 nan 8.210 nan 0.000 0.445 108 I N 5.351 125.774 120.570 -0.244 0.000 2.354 108 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 108 I C -0.499 175.492 176.117 -0.210 0.000 0.989 108 I CA -0.379 60.791 61.300 -0.218 0.000 1.188 108 I CB 1.686 39.623 38.000 -0.105 0.000 1.342 108 I HN 0.578 nan 8.210 nan 0.000 0.457 109 C N 7.940 127.067 119.300 -0.288 0.000 2.507 109 C HA 0.525 4.984 4.460 -0.000 0.000 0.319 109 C C 0.282 175.338 174.990 0.111 0.000 1.208 109 C CA -0.867 58.097 59.018 -0.090 0.000 1.619 109 C CB 1.401 28.989 27.740 -0.253 0.000 2.230 109 C HN 0.753 nan 8.230 nan 0.000 0.492 110 M N 4.046 123.788 119.600 0.238 0.000 2.245 110 M HA 0.081 4.561 4.480 -0.000 0.000 0.335 110 M C 1.360 177.860 176.300 0.332 0.000 1.155 110 M CA 0.588 56.030 55.300 0.238 0.000 1.055 110 M CB 0.308 33.042 32.600 0.224 0.000 1.670 110 M HN 0.935 nan 8.290 nan 0.000 0.447 111 D N 1.362 121.922 120.400 0.266 0.000 2.234 111 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 111 D C 0.005 176.400 176.300 0.158 0.000 0.962 111 D CA 0.704 54.859 54.000 0.258 0.000 0.855 111 D CB -0.147 40.749 40.800 0.161 0.000 0.951 111 D HN 0.527 nan 8.370 nan 0.000 0.500 112 D N 0.654 121.144 120.400 0.151 0.000 2.485 112 D HA 0.285 4.924 4.640 -0.000 0.000 0.229 112 D C -0.184 176.225 176.300 0.181 0.000 1.101 112 D CA -0.715 53.360 54.000 0.125 0.000 0.906 112 D CB 1.079 41.925 40.800 0.077 0.000 1.019 112 D HN 0.039 nan 8.370 nan 0.000 0.516 113 V N 1.510 121.567 119.914 0.238 0.000 3.177 113 V HA 0.551 4.671 4.120 -0.000 0.000 0.319 113 V C -0.011 176.292 176.094 0.349 0.000 1.125 113 V CA -1.229 61.247 62.300 0.294 0.000 1.029 113 V CB 0.879 32.910 31.823 0.347 0.000 1.119 113 V HN 0.380 nan 8.190 nan 0.000 0.452 114 Y N 1.773 122.200 120.300 0.212 0.000 2.805 114 Y HA 0.302 4.852 4.550 -0.001 0.000 0.331 114 Y C 1.475 177.342 175.900 -0.056 0.000 1.241 114 Y CA 0.746 58.922 58.100 0.127 0.000 1.546 114 Y CB 0.653 39.168 38.460 0.092 0.000 1.248 114 Y HN 0.981 nan 8.280 nan 0.000 0.559 115 G N 4.557 112.681 108.800 -1.127 0.000 2.606 115 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.221 115 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.221 115 G C 1.600 176.073 174.900 -0.713 0.000 1.152 115 G CA 1.029 45.587 45.100 -0.903 0.000 0.765 115 G HN 1.016 nan 8.290 nan 0.000 0.595 116 G N -0.083 108.003 108.800 -1.191 0.000 2.418 116 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 116 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 116 G C 1.881 176.668 174.900 -0.189 0.000 1.158 116 G CA 1.825 46.631 45.100 -0.491 0.000 0.771 116 G HN 0.425 nan 8.290 nan 0.000 0.545 117 T N 1.196 115.695 114.554 -0.092 0.000 2.708 117 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 117 T C 2.253 176.822 174.700 -0.219 0.000 1.037 117 T CA 1.203 63.159 62.100 -0.239 0.000 1.146 117 T CB -0.345 68.465 68.868 -0.097 0.000 0.865 117 T HN 0.313 nan 8.240 nan 0.000 0.435 118 N N 1.428 120.118 118.700 -0.016 0.000 2.043 118 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 118 N C 2.103 177.656 175.510 0.072 0.000 1.037 118 N CA 1.563 54.694 53.050 0.135 0.000 0.851 118 N CB -0.264 38.245 38.487 0.036 0.000 1.027 118 N HN 0.395 nan 8.380 nan 0.000 0.422 119 R N -0.783 119.690 120.500 -0.046 0.000 2.083 119 R HA -0.209 4.130 4.340 -0.000 0.000 0.237 119 R C 2.359 178.670 176.300 0.019 0.000 1.137 119 R CA 1.517 57.602 56.100 -0.024 0.000 0.951 119 R CB -0.645 29.614 30.300 -0.067 0.000 0.851 119 R HN 0.360 nan 8.270 nan 0.000 0.434 120 Y N 0.518 120.724 120.300 -0.156 0.000 2.145 120 Y HA -0.211 4.338 4.550 -0.001 0.000 0.286 120 Y C 1.656 177.527 175.900 -0.049 0.000 1.145 120 Y CA 1.525 59.524 58.100 -0.169 0.000 1.148 120 Y CB -0.501 37.751 38.460 -0.348 0.000 0.981 120 Y HN -0.006 nan 8.280 nan 0.000 0.507 121 F N 0.413 120.207 119.950 -0.260 0.000 2.075 121 F HA -0.093 4.434 4.527 -0.001 0.000 0.297 121 F C 2.829 178.520 175.800 -0.182 0.000 1.113 121 F CA 1.850 59.645 58.000 -0.341 0.000 1.218 121 F CB -1.206 37.665 39.000 -0.215 0.000 0.984 121 F HN -0.030 nan 8.300 nan 0.000 0.472 122 R N -0.046 120.580 120.500 0.211 0.000 2.075 122 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 122 R C 1.955 178.286 176.300 0.053 0.000 1.126 122 R CA 1.631 57.835 56.100 0.173 0.000 0.963 122 R CB -0.137 30.279 30.300 0.194 0.000 0.858 122 R HN 0.383 nan 8.270 nan 0.000 0.435 123 Q N -1.438 118.374 119.800 0.019 0.000 2.378 123 Q HA 0.074 4.413 4.340 -0.000 0.000 0.216 123 Q C 1.403 177.406 176.000 0.005 0.000 0.892 123 Q CA 0.254 56.062 55.803 0.008 0.000 0.931 123 Q CB 1.257 30.005 28.738 0.017 0.000 1.086 123 Q HN 0.148 nan 8.270 nan 0.000 0.528 124 V N -0.811 119.089 119.914 -0.024 0.000 2.950 124 V HA 0.125 4.245 4.120 -0.000 0.000 0.231 124 V C 1.857 177.987 176.094 0.060 0.000 1.205 124 V CA 1.084 63.421 62.300 0.061 0.000 1.239 124 V CB -0.205 31.741 31.823 0.204 0.000 1.050 124 V HN 0.219 nan 8.190 nan 0.000 0.498 125 A N 1.336 123.992 122.820 -0.273 0.000 1.908 125 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 125 A C 2.395 179.978 177.584 -0.000 0.000 1.181 125 A CA 2.523 54.450 52.037 -0.185 0.000 0.627 125 A CB -0.866 17.895 19.000 -0.398 0.000 0.818 125 A HN 0.724 nan 8.150 nan 0.000 0.445 126 S N -0.542 115.126 115.700 -0.053 0.000 2.500 126 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 126 S C 1.147 175.703 174.600 -0.072 0.000 0.989 126 S CA 1.245 59.416 58.200 -0.048 0.000 0.951 126 S CB -0.208 62.968 63.200 -0.040 0.000 0.759 126 S HN 0.543 nan 8.310 nan 0.000 0.523 127 E N 0.199 120.329 120.200 -0.117 0.000 2.479 127 E HA 0.209 4.559 4.350 -0.000 0.000 0.193 127 E C -0.551 175.679 176.600 -0.618 0.000 1.049 127 E CA 0.180 56.360 56.400 -0.367 0.000 0.870 127 E CB 0.008 29.396 29.700 -0.521 0.000 0.944 127 E HN 0.742 nan 8.360 nan 0.000 0.492 128 F N -0.194 119.729 119.950 -0.044 0.000 2.761 128 F HA 0.331 4.858 4.527 -0.000 0.000 0.367 128 F C 1.232 177.003 175.800 -0.047 0.000 1.386 128 F CA -0.220 57.758 58.000 -0.038 0.000 1.177 128 F CB 1.150 40.127 39.000 -0.038 0.000 1.092 128 F HN -0.014 nan 8.300 nan 0.000 0.517 129 G N 0.633 109.465 108.800 0.053 0.000 2.162 129 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 129 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 129 G C -0.041 174.862 174.900 0.005 0.000 0.976 129 G CA -0.119 44.995 45.100 0.024 0.000 0.655 129 G HN 0.353 nan 8.290 nan 0.000 0.533 130 L N -0.106 121.117 121.223 -0.001 0.000 2.325 130 L HA 0.593 4.933 4.340 -0.000 0.000 0.279 130 L C 0.600 177.430 176.870 -0.067 0.000 1.054 130 L CA -0.896 53.920 54.840 -0.041 0.000 0.804 130 L CB 1.609 43.635 42.059 -0.056 0.000 1.200 130 L HN 0.119 nan 8.230 nan 0.000 0.436 131 K N 3.428 123.776 120.400 -0.086 0.000 2.211 131 K HA 0.493 4.813 4.320 -0.000 0.000 0.275 131 K C -1.036 175.467 176.600 -0.161 0.000 1.024 131 K CA -0.551 55.679 56.287 -0.096 0.000 0.887 131 K CB 0.830 33.284 32.500 -0.076 0.000 1.084 131 K HN 0.411 nan 8.250 nan 0.000 0.463 132 I N 2.951 123.418 120.570 -0.172 0.000 2.378 132 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 132 I C -0.480 175.461 176.117 -0.294 0.000 0.992 132 I CA -0.615 60.500 61.300 -0.309 0.000 1.154 132 I CB 1.358 39.170 38.000 -0.315 0.000 1.315 132 I HN 0.533 nan 8.210 nan 0.000 0.448 133 S N 5.954 121.409 115.700 -0.410 0.000 2.532 133 S HA 0.693 5.162 4.470 -0.000 0.000 0.299 133 S C -0.735 173.614 174.600 -0.418 0.000 1.105 133 S CA -0.464 57.574 58.200 -0.269 0.000 1.018 133 S CB 1.526 64.646 63.200 -0.133 0.000 1.021 133 S HN 0.285 nan 8.310 nan 0.000 0.483 134 F N 1.645 121.585 119.950 -0.018 0.000 2.443 134 F HA 0.717 5.245 4.527 0.000 0.000 0.335 134 F C 0.075 175.883 175.800 0.013 0.000 1.104 134 F CA -0.716 57.289 58.000 0.008 0.000 1.013 134 F CB 1.411 40.425 39.000 0.023 0.000 1.136 134 F HN 0.183 nan 8.300 nan 0.000 0.470 135 V N 1.454 121.478 119.914 0.184 0.000 2.971 135 V HA 0.212 4.332 4.120 -0.000 0.000 0.309 135 V C -1.078 175.079 176.094 0.106 0.000 1.130 135 V CA -0.985 61.380 62.300 0.107 0.000 0.964 135 V CB 2.308 34.163 31.823 0.053 0.000 1.029 135 V HN 0.592 nan 8.190 nan 0.000 0.427 136 D N 1.760 122.207 120.400 0.079 0.000 2.470 136 D HA 0.159 4.799 4.640 -0.000 0.000 0.226 136 D C 0.994 177.327 176.300 0.055 0.000 1.196 136 D CA -0.068 53.974 54.000 0.070 0.000 0.979 136 D CB 0.499 41.333 40.800 0.056 0.000 1.059 136 D HN 0.621 nan 8.370 nan 0.000 0.515 137 C N 1.280 120.615 119.300 0.059 0.000 2.437 137 C HA -0.092 4.367 4.460 -0.000 0.000 0.283 137 C C 2.591 177.601 174.990 0.034 0.000 1.424 137 C CA 0.757 59.799 59.018 0.040 0.000 1.782 137 C CB -1.425 26.338 27.740 0.038 0.000 1.833 137 C HN 0.699 nan 8.230 nan 0.000 0.532 138 S N 0.229 115.955 115.700 0.043 0.000 2.537 138 S HA -0.061 4.409 4.470 -0.000 0.000 0.240 138 S C 0.473 175.093 174.600 0.034 0.000 0.981 138 S CA 0.905 59.130 58.200 0.041 0.000 0.948 138 S CB -0.442 62.789 63.200 0.053 0.000 0.759 138 S HN 0.723 nan 8.310 nan 0.000 0.531 139 K N 0.677 121.096 120.400 0.031 0.000 2.540 139 K HA 0.391 4.711 4.320 -0.000 0.000 0.218 139 K C -0.091 176.522 176.600 0.021 0.000 1.017 139 K CA -0.354 55.948 56.287 0.025 0.000 1.029 139 K CB 0.758 33.273 32.500 0.025 0.000 1.348 139 K HN 0.096 nan 8.250 nan 0.000 0.508 140 I N 1.667 122.248 120.570 0.018 0.000 2.229 140 I HA -0.411 3.759 4.170 -0.000 0.000 0.250 140 I C 1.590 177.715 176.117 0.014 0.000 1.096 140 I CA 1.627 62.935 61.300 0.014 0.000 1.358 140 I CB -0.378 37.630 38.000 0.013 0.000 1.047 140 I HN 0.378 nan 8.210 nan 0.000 0.422 141 K N 0.725 121.134 120.400 0.015 0.000 2.074 141 K HA -0.130 4.189 4.320 -0.000 0.000 0.209 141 K C 1.967 178.577 176.600 0.016 0.000 1.048 141 K CA 1.461 57.757 56.287 0.015 0.000 0.926 141 K CB -0.717 31.791 32.500 0.014 0.000 0.713 141 K HN 0.299 nan 8.250 nan 0.000 0.444 142 L N 0.097 121.331 121.223 0.018 0.000 2.109 142 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 142 L C 2.229 179.110 176.870 0.018 0.000 1.086 142 L CA 0.357 55.209 54.840 0.020 0.000 0.760 142 L CB -0.367 41.707 42.059 0.025 0.000 0.910 142 L HN 0.129 nan 8.230 nan 0.000 0.437 143 L N 0.091 121.324 121.223 0.016 0.000 2.083 143 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 143 L C 2.386 179.261 176.870 0.008 0.000 1.083 143 L CA 1.799 56.645 54.840 0.010 0.000 0.752 143 L CB -0.510 41.552 42.059 0.004 0.000 0.899 143 L HN 0.267 nan 8.230 nan 0.000 0.433 144 E N -0.680 119.528 120.200 0.013 0.000 2.106 144 E HA -0.186 4.163 4.350 -0.000 0.000 0.192 144 E C 2.063 178.677 176.600 0.024 0.000 0.984 144 E CA 0.935 57.347 56.400 0.020 0.000 0.806 144 E CB -0.106 29.607 29.700 0.022 0.000 0.750 144 E HN 0.637 nan 8.360 nan 0.000 0.458 145 A N 1.028 123.859 122.820 0.018 0.000 1.930 145 A HA -0.007 4.312 4.320 -0.000 0.000 0.217 145 A C 2.329 179.919 177.584 0.011 0.000 1.175 145 A CA 1.428 53.474 52.037 0.016 0.000 0.627 145 A CB -0.530 18.478 19.000 0.014 0.000 0.815 145 A HN 0.372 nan 8.150 nan 0.000 0.443 146 A N -0.297 122.528 122.820 0.009 0.000 2.067 146 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 146 A C 1.044 178.626 177.584 -0.005 0.000 1.158 146 A CA 0.223 52.260 52.037 0.001 0.000 0.661 146 A CB -0.523 18.476 19.000 -0.002 0.000 0.801 146 A HN 0.481 nan 8.150 nan 0.000 0.452 147 I N 1.329 121.902 120.570 0.004 0.000 2.683 147 I HA 0.044 4.213 4.170 -0.000 0.000 0.286 147 I C 0.036 176.155 176.117 0.002 0.000 1.175 147 I CA 0.342 61.645 61.300 0.006 0.000 1.429 147 I CB 0.648 38.665 38.000 0.029 0.000 1.371 147 I HN 0.034 nan 8.210 nan 0.000 0.569 148 T N 7.315 121.865 114.554 -0.007 0.000 2.885 148 T HA 0.267 4.617 4.350 -0.000 0.000 0.285 148 T C -1.649 173.044 174.700 -0.011 0.000 1.019 148 T CA -1.143 60.949 62.100 -0.014 0.000 1.010 148 T CB 2.022 70.876 68.868 -0.022 0.000 1.022 148 T HN 0.356 nan 8.240 nan 0.000 0.466 149 P HA -0.120 nan 4.420 nan 0.000 0.220 149 P C 0.896 178.190 177.300 -0.009 0.000 1.144 149 P CA 0.914 64.004 63.100 -0.017 0.000 0.800 149 P CB 0.212 31.897 31.700 -0.024 0.000 0.772 150 E N -1.518 118.674 120.200 -0.013 0.000 2.585 150 E HA 0.089 4.438 4.350 -0.000 0.000 0.206 150 E C -0.593 175.996 176.600 -0.019 0.000 1.007 150 E CA -0.092 56.300 56.400 -0.013 0.000 1.028 150 E CB -0.573 29.117 29.700 -0.016 0.000 1.087 150 E HN 0.009 nan 8.360 nan 0.000 0.455 151 T N 1.497 116.041 114.554 -0.016 0.000 2.870 151 T HA 0.177 4.527 4.350 -0.000 0.000 0.300 151 T C 0.455 175.152 174.700 -0.005 0.000 0.989 151 T CA -0.056 62.031 62.100 -0.022 0.000 1.139 151 T CB 1.466 70.323 68.868 -0.018 0.000 0.920 151 T HN 0.090 nan 8.240 nan 0.000 0.537 152 K N 1.203 121.597 120.400 -0.009 0.000 2.464 152 K HA 0.408 4.728 4.320 -0.000 0.000 0.206 152 K C -0.403 176.213 176.600 0.027 0.000 1.186 152 K CA -0.112 56.183 56.287 0.014 0.000 0.990 152 K CB 0.616 33.125 32.500 0.014 0.000 1.003 152 K HN 0.421 nan 8.250 nan 0.000 0.562 153 L N 0.378 121.607 121.223 0.010 0.000 2.455 153 L HA 0.537 4.877 4.340 -0.000 0.000 0.264 153 L C -1.727 175.150 176.870 0.012 0.000 0.968 153 L CA -0.820 54.042 54.840 0.037 0.000 0.827 153 L CB 2.185 44.290 42.059 0.077 0.000 1.317 153 L HN -0.276 nan 8.230 nan 0.000 0.407 154 V N 4.080 124.013 119.914 0.033 0.000 2.448 154 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 154 V C -1.183 174.969 176.094 0.096 0.000 1.025 154 V CA -0.415 61.900 62.300 0.026 0.000 0.859 154 V CB 1.807 33.617 31.823 -0.021 0.000 0.988 154 V HN 0.769 nan 8.190 nan 0.000 0.431 155 W N 7.186 128.454 121.300 -0.054 0.000 2.361 155 W HA 0.733 5.392 4.660 -0.001 0.000 0.314 155 W C -1.568 174.981 176.519 0.049 0.000 1.041 155 W CA -0.871 56.493 57.345 0.031 0.000 1.241 155 W CB 1.605 31.134 29.460 0.115 0.000 1.279 155 W HN 0.427 nan 8.180 nan 0.000 0.436 156 I N 4.310 124.809 120.570 -0.118 0.000 2.608 156 I HA 0.251 4.421 4.170 -0.000 0.000 0.295 156 I C -0.458 175.602 176.117 -0.095 0.000 1.049 156 I CA -0.402 60.880 61.300 -0.031 0.000 1.063 156 I CB 2.438 40.392 38.000 -0.076 0.000 1.248 156 I HN 0.309 nan 8.210 nan 0.000 0.424 157 E N 3.291 123.513 120.200 0.036 0.000 2.234 157 E HA 0.576 4.925 4.350 -0.000 0.000 0.266 157 E C -1.469 175.113 176.600 -0.030 0.000 0.877 157 E CA -0.484 55.919 56.400 0.004 0.000 0.758 157 E CB 1.979 31.738 29.700 0.098 0.000 1.170 157 E HN 0.491 nan 8.360 nan 0.000 0.415 158 T N 4.574 119.089 114.554 -0.064 0.000 3.395 158 T HA 0.379 4.729 4.350 -0.000 0.000 0.330 158 T C -2.846 171.843 174.700 -0.019 0.000 1.076 158 T CA -1.524 60.552 62.100 -0.039 0.000 1.070 158 T CB 1.281 70.137 68.868 -0.019 0.000 1.119 158 T HN 0.189 nan 8.240 nan 0.000 0.462 159 P HA 0.265 nan 4.420 nan 0.000 0.272 159 P C 0.045 177.256 177.300 -0.148 0.000 1.230 159 P CA -0.225 62.871 63.100 -0.007 0.000 0.788 159 P CB 0.231 31.983 31.700 0.086 0.000 0.949 160 T N -1.035 113.480 114.554 -0.066 0.000 2.898 160 T HA 0.165 4.515 4.350 -0.000 0.000 0.301 160 T C 0.212 174.812 174.700 -0.168 0.000 1.049 160 T CA -0.512 61.529 62.100 -0.099 0.000 1.095 160 T CB -0.013 68.868 68.868 0.020 0.000 0.976 160 T HN 0.281 nan 8.240 nan 0.000 0.539 161 N N 2.838 121.438 118.700 -0.168 0.000 2.444 161 N HA 0.389 5.129 4.740 -0.000 0.000 0.262 161 N C -2.082 173.452 175.510 0.039 0.000 0.974 161 N CA -2.621 50.422 53.050 -0.011 0.000 0.933 161 N CB 1.757 40.285 38.487 0.068 0.000 1.137 161 N HN 0.417 nan 8.380 nan 0.000 0.498 162 P HA 0.163 nan 4.420 nan 0.000 0.282 162 P C 0.397 177.738 177.300 0.069 0.000 1.327 162 P CA 0.168 63.305 63.100 0.062 0.000 0.949 162 P CB 0.150 31.824 31.700 -0.043 0.000 1.445 163 T N -4.278 110.296 114.554 0.034 0.000 3.160 163 T HA 0.017 4.366 4.350 -0.000 0.000 0.257 163 T C 1.041 175.826 174.700 0.142 0.000 1.147 163 T CA 0.205 62.350 62.100 0.075 0.000 1.064 163 T CB -0.701 68.206 68.868 0.065 0.000 0.949 163 T HN -0.019 nan 8.240 nan 0.000 0.526 164 Q N 0.010 119.908 119.800 0.163 0.000 2.494 164 Q HA -0.147 4.193 4.340 -0.000 0.000 0.272 164 Q C -0.256 175.902 176.000 0.264 0.000 1.145 164 Q CA 0.625 56.571 55.803 0.237 0.000 0.943 164 Q CB -1.882 27.055 28.738 0.331 0.000 1.338 164 Q HN 0.656 nan 8.270 nan 0.000 0.492 165 K N -0.436 120.063 120.400 0.165 0.000 2.298 165 K HA 0.430 4.749 4.320 -0.000 0.000 0.280 165 K C -0.574 176.114 176.600 0.146 0.000 1.032 165 K CA -0.207 56.176 56.287 0.160 0.000 0.958 165 K CB 0.937 33.496 32.500 0.098 0.000 0.978 165 K HN 0.021 nan 8.250 nan 0.000 0.472 166 V N 5.429 125.449 119.914 0.177 0.000 2.435 166 V HA 0.363 4.483 4.120 -0.000 0.000 0.290 166 V C -0.331 175.800 176.094 0.062 0.000 1.030 166 V CA -0.871 61.484 62.300 0.092 0.000 0.881 166 V CB 1.440 33.296 31.823 0.054 0.000 0.983 166 V HN 0.570 nan 8.190 nan 0.000 0.445 167 I N 3.132 123.719 120.570 0.028 0.000 2.460 167 I HA 0.353 4.522 4.170 -0.000 0.000 0.298 167 I C 0.103 176.220 176.117 -0.000 0.000 0.989 167 I CA -0.278 61.032 61.300 0.016 0.000 1.173 167 I CB 1.549 39.554 38.000 0.007 0.000 1.338 167 I HN 0.510 nan 8.210 nan 0.000 0.456 168 D N 5.859 126.258 120.400 -0.001 0.000 2.435 168 D HA 0.180 4.819 4.640 -0.000 0.000 0.230 168 D C 1.173 177.459 176.300 -0.024 0.000 1.215 168 D CA 0.283 54.278 54.000 -0.009 0.000 0.947 168 D CB 0.386 41.187 40.800 0.000 0.000 1.048 168 D HN 0.431 nan 8.370 nan 0.000 0.512 169 I N 2.152 122.703 120.570 -0.032 0.000 2.118 169 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 169 I C 2.265 178.334 176.117 -0.080 0.000 1.070 169 I CA 1.125 62.393 61.300 -0.055 0.000 1.327 169 I CB -0.090 37.882 38.000 -0.047 0.000 1.034 169 I HN 0.482 nan 8.210 nan 0.000 0.405 170 E N 0.965 121.123 120.200 -0.071 0.000 2.051 170 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 170 E C 2.270 178.801 176.600 -0.116 0.000 0.991 170 E CA 1.439 57.768 56.400 -0.118 0.000 0.799 170 E CB -0.254 29.419 29.700 -0.045 0.000 0.748 170 E HN 0.516 nan 8.360 nan 0.000 0.449 171 G N 0.331 109.125 108.800 -0.011 0.000 2.418 171 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.217 171 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.217 171 G C 1.728 176.628 174.900 -0.001 0.000 1.158 171 G CA 0.883 46.009 45.100 0.044 0.000 0.771 171 G HN 0.390 nan 8.290 nan 0.000 0.545 172 C N 0.857 120.129 119.300 -0.047 0.000 2.436 172 C HA 0.127 4.586 4.460 -0.000 0.000 0.277 172 C C 3.557 178.459 174.990 -0.147 0.000 1.241 172 C CA 0.991 59.963 59.018 -0.077 0.000 1.721 172 C CB -0.982 26.710 27.740 -0.080 0.000 2.043 172 C HN 0.580 nan 8.230 nan 0.000 0.472 173 A N -0.278 122.420 122.820 -0.203 0.000 1.917 173 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 173 A C 1.724 179.138 177.584 -0.284 0.000 1.182 173 A CA 2.189 54.029 52.037 -0.330 0.000 0.633 173 A CB -1.097 17.752 19.000 -0.252 0.000 0.819 173 A HN 0.827 nan 8.150 nan 0.000 0.448 174 H N -1.688 117.342 119.070 -0.067 0.000 2.389 174 H HA -0.036 4.520 4.556 -0.001 0.000 0.299 174 H C 1.836 177.127 175.328 -0.063 0.000 1.081 174 H CA 1.016 57.048 56.048 -0.027 0.000 1.345 174 H CB 0.034 29.789 29.762 -0.012 0.000 1.393 174 H HN 0.399 nan 8.280 nan 0.000 0.520 175 I N -0.015 120.573 120.570 0.030 0.000 2.315 175 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 175 I C 2.100 178.183 176.117 -0.057 0.000 1.117 175 I CA 0.915 62.207 61.300 -0.014 0.000 1.404 175 I CB -0.509 37.484 38.000 -0.012 0.000 1.071 175 I HN 0.117 nan 8.210 nan 0.000 0.419 176 V N -0.184 119.643 119.914 -0.145 0.000 2.719 176 V HA -0.165 3.955 4.120 -0.000 0.000 0.252 176 V C 2.086 178.118 176.094 -0.103 0.000 1.065 176 V CA 1.222 63.423 62.300 -0.166 0.000 1.086 176 V CB -0.785 30.875 31.823 -0.272 0.000 0.700 176 V HN 0.415 nan 8.190 nan 0.000 0.467 177 H N -0.640 118.427 119.070 -0.006 0.000 2.539 177 H HA 0.147 4.703 4.556 0.000 0.000 0.269 177 H C 2.005 177.309 175.328 -0.040 0.000 0.980 177 H CA 0.249 56.293 56.048 -0.006 0.000 1.152 177 H CB 0.224 29.989 29.762 0.005 0.000 1.407 177 H HN 0.320 nan 8.280 nan 0.000 0.564 178 K N 0.021 120.414 120.400 -0.012 0.000 2.097 178 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 178 K C 0.152 176.498 176.600 -0.423 0.000 1.050 178 K CA 0.988 57.136 56.287 -0.233 0.000 0.938 178 K CB 0.306 32.603 32.500 -0.337 0.000 0.718 178 K HN 0.266 nan 8.250 nan 0.000 0.442 179 H N -1.401 117.704 119.070 0.059 0.000 2.572 179 H HA 0.330 4.886 4.556 -0.001 0.000 0.359 179 H C -0.066 175.294 175.328 0.053 0.000 1.134 179 H CA -0.862 55.212 56.048 0.044 0.000 1.187 179 H CB 1.460 31.238 29.762 0.027 0.000 1.597 179 H HN 0.217 nan 8.280 nan 0.000 0.524 180 G N -0.095 108.807 108.800 0.170 0.000 2.527 180 G HA2 0.166 4.126 3.960 -0.000 0.000 0.248 180 G HA3 0.166 4.126 3.960 -0.000 0.000 0.248 180 G C -0.052 174.900 174.900 0.087 0.000 1.231 180 G CA 0.044 45.208 45.100 0.106 0.000 0.838 180 G HN 0.898 nan 8.290 nan 0.000 0.570 181 D N -1.655 118.790 120.400 0.075 0.000 2.723 181 D HA -0.192 4.448 4.640 -0.000 0.000 0.236 181 D C 0.017 176.362 176.300 0.075 0.000 1.138 181 D CA 0.643 54.680 54.000 0.063 0.000 0.676 181 D CB -0.860 39.966 40.800 0.043 0.000 1.069 181 D HN 0.328 nan 8.370 nan 0.000 0.430 182 I N 0.779 121.413 120.570 0.107 0.000 2.493 182 I HA 0.469 4.638 4.170 -0.000 0.000 0.298 182 I C -0.152 176.046 176.117 0.136 0.000 0.998 182 I CA -0.979 60.379 61.300 0.096 0.000 1.137 182 I CB 1.355 39.390 38.000 0.058 0.000 1.310 182 I HN 0.058 nan 8.210 nan 0.000 0.445 183 I N 7.242 127.871 120.570 0.099 0.000 2.353 183 I HA 0.215 4.384 4.170 -0.000 0.000 0.293 183 I C -0.655 175.501 176.117 0.066 0.000 0.992 183 I CA -0.787 60.579 61.300 0.110 0.000 1.268 183 I CB 1.708 39.764 38.000 0.095 0.000 1.387 183 I HN 0.377 nan 8.210 nan 0.000 0.478 184 L N 8.492 129.750 121.223 0.058 0.000 2.280 184 L HA 0.473 4.812 4.340 -0.000 0.000 0.287 184 L C -0.514 176.310 176.870 -0.078 0.000 1.023 184 L CA -0.315 54.503 54.840 -0.038 0.000 0.819 184 L CB 1.377 43.376 42.059 -0.100 0.000 1.212 184 L HN 0.260 nan 8.230 nan 0.000 0.420 185 V N 5.822 125.633 119.914 -0.171 0.000 2.427 185 V HA 0.485 4.605 4.120 -0.000 0.000 0.286 185 V C -0.234 175.559 176.094 -0.503 0.000 1.034 185 V CA -0.732 61.335 62.300 -0.388 0.000 0.893 185 V CB 1.643 33.035 31.823 -0.719 0.000 0.982 185 V HN 0.465 nan 8.190 nan 0.000 0.452 186 V N 3.546 123.206 119.914 -0.423 0.000 2.350 186 V HA 0.292 4.412 4.120 -0.000 0.000 0.285 186 V C -0.079 175.758 176.094 -0.428 0.000 1.014 186 V CA -0.556 61.518 62.300 -0.375 0.000 0.831 186 V CB 1.570 33.264 31.823 -0.216 0.000 1.000 186 V HN 0.891 nan 8.190 nan 0.000 0.433 187 D N 4.086 124.223 120.400 -0.439 0.000 2.342 187 D HA 0.032 4.672 4.640 -0.000 0.000 0.260 187 D C 0.549 176.727 176.300 -0.204 0.000 1.278 187 D CA 0.319 54.153 54.000 -0.276 0.000 0.910 187 D CB 0.614 41.381 40.800 -0.056 0.000 1.079 187 D HN 0.565 nan 8.370 nan 0.000 0.496 188 N N 2.069 120.571 118.700 -0.330 0.000 2.238 188 N HA 0.034 4.774 4.740 -0.000 0.000 0.222 188 N C 1.006 176.550 175.510 0.055 0.000 1.133 188 N CA -0.101 52.818 53.050 -0.219 0.000 0.854 188 N CB 0.413 38.654 38.487 -0.410 0.000 1.041 188 N HN 0.180 nan 8.380 nan 0.000 0.510 189 T N -0.123 114.522 114.554 0.152 0.000 2.665 189 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 189 T C 1.109 176.182 174.700 0.621 0.000 1.035 189 T CA 1.287 63.635 62.100 0.414 0.000 1.151 189 T CB -0.304 68.768 68.868 0.339 0.000 0.862 189 T HN 0.210 nan 8.240 nan 0.000 0.438 190 F N 0.575 120.687 119.950 0.269 0.000 2.146 190 F HA 0.089 4.616 4.527 -0.000 0.000 0.298 190 F C 2.330 178.284 175.800 0.255 0.000 1.096 190 F CA 0.557 58.763 58.000 0.342 0.000 1.275 190 F CB -0.524 38.613 39.000 0.228 0.000 1.008 190 F HN 0.102 nan 8.300 nan 0.000 0.480 191 M N -0.567 119.276 119.600 0.406 0.000 2.299 191 M HA 0.071 4.551 4.480 -0.000 0.000 0.264 191 M C 0.885 177.354 176.300 0.281 0.000 1.095 191 M CA 1.251 56.727 55.300 0.294 0.000 1.165 191 M CB -1.259 31.493 32.600 0.254 0.000 1.349 191 M HN 0.234 nan 8.290 nan 0.000 0.446 192 S N -0.155 115.777 115.700 0.387 0.000 3.860 192 S HA -0.065 4.405 4.470 -0.000 0.000 0.712 192 S C -2.478 172.362 174.600 0.400 0.000 1.287 192 S CA -0.064 58.394 58.200 0.429 0.000 1.330 192 S CB -1.807 61.515 63.200 0.204 0.000 0.442 192 S HN 0.174 nan 8.310 nan 0.000 0.798 193 P HA 0.152 nan 4.420 nan 0.000 0.249 193 P C 1.027 178.607 177.300 0.467 0.000 1.229 193 P CA 0.800 64.162 63.100 0.436 0.000 0.788 193 P CB -0.271 31.670 31.700 0.403 0.000 1.072 194 Y N -0.684 119.613 120.300 -0.004 0.000 2.337 194 Y HA 0.057 4.607 4.550 -0.001 0.000 0.293 194 Y C 1.566 177.288 175.900 -0.296 0.000 1.123 194 Y CA 1.415 59.124 58.100 -0.651 0.000 1.201 194 Y CB -0.365 37.462 38.460 -1.054 0.000 1.011 194 Y HN -0.160 nan 8.280 nan 0.000 0.545 195 F N -1.017 118.959 119.950 0.044 0.000 2.694 195 F HA 0.226 4.753 4.527 -0.001 0.000 0.292 195 F C 0.590 176.429 175.800 0.065 0.000 1.121 195 F CA -0.072 57.874 58.000 -0.091 0.000 1.352 195 F CB 0.628 39.553 39.000 -0.126 0.000 1.107 195 F HN -0.167 nan 8.300 nan 0.000 0.597 196 Q N 0.547 120.580 119.800 0.388 0.000 2.284 196 Q HA 0.379 4.719 4.340 -0.000 0.000 0.269 196 Q C -1.071 175.089 176.000 0.266 0.000 1.026 196 Q CA -0.619 55.370 55.803 0.311 0.000 0.831 196 Q CB 1.793 30.648 28.738 0.195 0.000 1.322 196 Q HN 0.107 nan 8.270 nan 0.000 0.419 197 R N 4.616 125.229 120.500 0.187 0.000 2.477 197 R HA 0.249 4.588 4.340 -0.000 0.000 0.285 197 R C -2.114 174.197 176.300 0.019 0.000 1.415 197 R CA -1.707 54.409 56.100 0.027 0.000 1.446 197 R CB 1.142 31.297 30.300 -0.241 0.000 1.110 197 R HN 0.454 nan 8.270 nan 0.000 0.590 198 P HA -0.213 nan 4.420 nan 0.000 0.217 198 P C 1.086 178.373 177.300 -0.022 0.000 1.151 198 P CA 1.250 64.340 63.100 -0.018 0.000 0.849 198 P CB 0.283 31.948 31.700 -0.059 0.000 0.787 199 L N -1.095 120.118 121.223 -0.017 0.000 2.042 199 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 199 L C 2.467 179.324 176.870 -0.021 0.000 1.076 199 L CA 1.619 56.451 54.840 -0.013 0.000 0.749 199 L CB -1.276 40.780 42.059 -0.006 0.000 0.893 199 L HN -0.031 nan 8.230 nan 0.000 0.432 200 A N -0.008 122.792 122.820 -0.034 0.000 2.032 200 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 200 A C 2.022 179.602 177.584 -0.007 0.000 1.165 200 A CA 1.523 53.545 52.037 -0.025 0.000 0.645 200 A CB -0.609 18.370 19.000 -0.035 0.000 0.807 200 A HN 0.456 nan 8.150 nan 0.000 0.453 201 L N -1.755 119.461 121.223 -0.012 0.000 2.628 201 L HA 0.323 4.663 4.340 -0.000 0.000 0.229 201 L C 1.553 178.383 176.870 -0.068 0.000 1.137 201 L CA 0.497 55.322 54.840 -0.026 0.000 0.909 201 L CB 0.119 42.167 42.059 -0.018 0.000 1.137 201 L HN 0.536 nan 8.230 nan 0.000 0.470 202 G N -0.378 108.396 108.800 -0.044 0.000 2.195 202 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.224 202 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.224 202 G C 0.486 175.418 174.900 0.054 0.000 0.990 202 G CA -0.134 44.950 45.100 -0.028 0.000 0.639 202 G HN 0.464 nan 8.290 nan 0.000 0.514 203 A N 0.153 122.978 122.820 0.008 0.000 2.448 203 A HA 0.523 4.843 4.320 -0.000 0.000 0.239 203 A C 1.175 178.794 177.584 0.058 0.000 1.080 203 A CA 1.065 53.114 52.037 0.019 0.000 0.779 203 A CB 0.294 19.267 19.000 -0.046 0.000 1.026 203 A HN 0.174 nan 8.150 nan 0.000 0.499 204 D N -0.294 120.148 120.400 0.070 0.000 2.262 204 D HA 0.194 4.834 4.640 -0.000 0.000 0.212 204 D C 0.185 176.509 176.300 0.039 0.000 0.964 204 D CA 1.174 55.214 54.000 0.066 0.000 0.875 204 D CB 0.231 41.091 40.800 0.099 0.000 0.996 204 D HN 0.488 nan 8.370 nan 0.000 0.497 205 I N 0.057 120.625 120.570 -0.003 0.000 2.582 205 I HA 0.153 4.323 4.170 -0.000 0.000 0.292 205 I C -0.649 175.416 176.117 -0.086 0.000 1.066 205 I CA -0.611 60.680 61.300 -0.015 0.000 1.053 205 I CB 2.596 40.584 38.000 -0.020 0.000 1.241 205 I HN -0.278 nan 8.210 nan 0.000 0.421 206 S N 7.541 123.208 115.700 -0.055 0.000 2.566 206 S HA 0.565 5.034 4.470 -0.000 0.000 0.324 206 S C -0.654 173.849 174.600 -0.163 0.000 1.081 206 S CA -0.621 57.493 58.200 -0.143 0.000 1.105 206 S CB 0.777 63.949 63.200 -0.046 0.000 0.981 206 S HN 0.561 nan 8.310 nan 0.000 0.464 207 M N 5.469 124.870 119.600 -0.333 0.000 2.436 207 M HA 0.545 5.024 4.480 -0.000 0.000 0.331 207 M C -2.252 173.824 176.300 -0.373 0.000 1.135 207 M CA -0.424 54.763 55.300 -0.189 0.000 0.987 207 M CB 1.396 33.904 32.600 -0.154 0.000 1.687 207 M HN 0.742 nan 8.290 nan 0.000 0.445 208 Y N 0.631 120.997 120.300 0.110 0.000 2.477 208 Y HA 0.347 4.897 4.550 -0.001 0.000 0.347 208 Y C 0.160 176.129 175.900 0.116 0.000 0.981 208 Y CA -0.747 57.427 58.100 0.123 0.000 1.033 208 Y CB 1.994 40.532 38.460 0.130 0.000 1.245 208 Y HN 0.691 nan 8.280 nan 0.000 0.455 209 S N 1.821 117.665 115.700 0.240 0.000 2.411 209 S HA 0.446 4.915 4.470 -0.000 0.000 0.304 209 S C 0.962 175.670 174.600 0.179 0.000 1.098 209 S CA -0.040 58.250 58.200 0.150 0.000 1.068 209 S CB 0.315 63.534 63.200 0.031 0.000 1.032 209 S HN 0.866 nan 8.310 nan 0.000 0.511 210 A N 4.475 127.394 122.820 0.166 0.000 2.121 210 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 210 A C 2.026 179.652 177.584 0.070 0.000 1.154 210 A CA 1.625 53.731 52.037 0.115 0.000 0.679 210 A CB -1.171 17.877 19.000 0.079 0.000 0.795 210 A HN 0.836 nan 8.150 nan 0.000 0.458 211 T N -0.263 114.321 114.554 0.049 0.000 2.946 211 T HA -0.130 4.219 4.350 -0.000 0.000 0.270 211 T C 1.447 176.126 174.700 -0.036 0.000 1.129 211 T CA 1.898 64.002 62.100 0.007 0.000 1.103 211 T CB -0.085 68.780 68.868 -0.005 0.000 0.839 211 T HN 0.455 nan 8.240 nan 0.000 0.544 212 K N -0.392 119.989 120.400 -0.032 0.000 4.447 212 K HA 0.427 4.747 4.320 -0.000 0.000 0.186 212 K C 1.522 178.034 176.600 -0.147 0.000 1.136 212 K CA -0.046 56.152 56.287 -0.148 0.000 1.893 212 K CB -0.686 31.738 32.500 -0.126 0.000 2.651 212 K HN 0.098 nan 8.250 nan 0.000 0.552 213 Y N 0.750 121.051 120.300 0.002 0.000 2.220 213 Y HA -0.164 4.386 4.550 -0.001 0.000 0.291 213 Y C 2.162 178.082 175.900 0.033 0.000 1.129 213 Y CA 0.857 58.952 58.100 -0.007 0.000 1.161 213 Y CB 0.020 38.487 38.460 0.012 0.000 0.997 213 Y HN 0.096 nan 8.280 nan 0.000 0.522 214 M N -0.163 119.558 119.600 0.202 0.000 2.073 214 M HA -0.278 4.202 4.480 -0.000 0.000 0.258 214 M C 1.880 178.237 176.300 0.096 0.000 1.070 214 M CA 1.806 57.162 55.300 0.093 0.000 1.103 214 M CB -1.351 31.240 32.600 -0.015 0.000 1.321 214 M HN 0.313 nan 8.290 nan 0.000 0.405 215 N N -0.546 118.211 118.700 0.094 0.000 2.173 215 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 215 N C 1.288 176.940 175.510 0.237 0.000 1.025 215 N CA 2.159 55.285 53.050 0.126 0.000 0.852 215 N CB -0.106 38.431 38.487 0.085 0.000 0.998 215 N HN 0.471 nan 8.380 nan 0.000 0.427 216 G N -1.269 107.603 108.800 0.119 0.000 2.189 216 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.267 216 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.267 216 G C 0.267 175.070 174.900 -0.162 0.000 0.975 216 G CA 1.054 46.169 45.100 0.025 0.000 0.644 216 G HN 0.631 nan 8.290 nan 0.000 0.537 217 H N -0.666 118.389 119.070 -0.026 0.000 2.581 217 H HA 0.514 5.070 4.556 -0.001 0.000 0.275 217 H C 1.532 176.752 175.328 -0.180 0.000 1.126 217 H CA 0.436 56.483 56.048 -0.002 0.000 1.097 217 H CB 0.684 30.585 29.762 0.231 0.000 1.626 217 H HN 0.300 nan 8.280 nan 0.000 0.565 218 S N 1.008 116.607 115.700 -0.168 0.000 3.445 218 S HA -0.193 4.277 4.470 -0.000 0.000 0.319 218 S C 0.559 175.132 174.600 -0.045 0.000 1.209 218 S CA 1.397 59.492 58.200 -0.176 0.000 0.934 218 S CB -0.843 62.144 63.200 -0.355 0.000 0.999 218 S HN 0.880 nan 8.310 nan 0.000 0.582 219 D N -1.283 119.129 120.400 0.020 0.000 2.538 219 D HA 0.330 4.969 4.640 -0.000 0.000 0.241 219 D C -0.107 176.215 176.300 0.038 0.000 1.297 219 D CA -0.041 53.985 54.000 0.042 0.000 0.804 219 D CB 0.016 40.864 40.800 0.079 0.000 1.122 219 D HN 0.288 nan 8.370 nan 0.000 0.519 220 V N 1.014 120.947 119.914 0.031 0.000 2.588 220 V HA 0.419 4.539 4.120 -0.000 0.000 0.304 220 V C -0.157 175.952 176.094 0.025 0.000 1.042 220 V CA -1.017 61.302 62.300 0.031 0.000 0.877 220 V CB 2.375 34.218 31.823 0.034 0.000 0.996 220 V HN -0.060 nan 8.190 nan 0.000 0.425 221 V N 6.252 126.182 119.914 0.027 0.000 2.383 221 V HA 0.603 4.723 4.120 -0.000 0.000 0.275 221 V C -0.050 176.070 176.094 0.044 0.000 1.036 221 V CA -0.003 62.315 62.300 0.029 0.000 0.889 221 V CB 1.131 32.969 31.823 0.026 0.000 0.985 221 V HN 0.911 nan 8.190 nan 0.000 0.459 222 M N 3.912 123.545 119.600 0.056 0.000 2.534 222 M HA 0.718 5.197 4.480 -0.000 0.000 0.280 222 M C -0.566 175.805 176.300 0.118 0.000 1.217 222 M CA -0.357 54.992 55.300 0.083 0.000 0.893 222 M CB 2.514 35.157 32.600 0.072 0.000 1.730 222 M HN 0.712 nan 8.290 nan 0.000 0.483 223 G N 2.829 111.736 108.800 0.178 0.000 2.448 223 G HA2 0.788 4.748 3.960 -0.000 0.000 0.324 223 G HA3 0.788 4.748 3.960 -0.000 0.000 0.324 223 G C -2.019 173.078 174.900 0.328 0.000 1.203 223 G CA -0.625 44.620 45.100 0.242 0.000 0.954 223 G HN 0.683 nan 8.290 nan 0.000 0.480 224 L N 0.997 122.431 121.223 0.351 0.000 2.408 224 L HA 0.623 4.962 4.340 -0.000 0.000 0.268 224 L C -0.780 176.349 176.870 0.433 0.000 0.986 224 L CA -1.090 53.968 54.840 0.364 0.000 0.820 224 L CB 2.638 44.849 42.059 0.254 0.000 1.303 224 L HN 0.230 nan 8.230 nan 0.000 0.411 225 V N 1.520 121.683 119.914 0.414 0.000 2.525 225 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 225 V C -0.378 175.893 176.094 0.296 0.000 1.034 225 V CA -0.351 62.159 62.300 0.351 0.000 0.863 225 V CB 2.063 34.126 31.823 0.400 0.000 0.999 225 V HN 0.781 nan 8.190 nan 0.000 0.423 226 S N 3.107 118.959 115.700 0.253 0.000 2.509 226 S HA 0.840 5.310 4.470 -0.000 0.000 0.297 226 S C -0.702 174.000 174.600 0.170 0.000 1.118 226 S CA -0.491 57.835 58.200 0.210 0.000 1.074 226 S CB 1.966 65.287 63.200 0.201 0.000 1.038 226 S HN 0.591 nan 8.310 nan 0.000 0.498 227 V N 2.822 122.848 119.914 0.187 0.000 3.147 227 V HA 0.504 4.623 4.120 -0.000 0.000 0.306 227 V C -0.787 175.420 176.094 0.188 0.000 1.209 227 V CA -0.593 61.813 62.300 0.177 0.000 1.023 227 V CB 2.516 34.465 31.823 0.210 0.000 1.059 227 V HN 0.882 nan 8.190 nan 0.000 0.435 228 N N 0.794 119.580 118.700 0.144 0.000 2.606 228 N HA 0.114 4.854 4.740 -0.000 0.000 0.208 228 N C 0.605 176.218 175.510 0.171 0.000 1.046 228 N CA 0.702 53.828 53.050 0.127 0.000 0.891 228 N CB 0.179 38.693 38.487 0.044 0.000 1.344 228 N HN 0.666 nan 8.380 nan 0.000 0.437 229 C N 2.772 122.143 119.300 0.118 0.000 2.538 229 C HA -0.008 4.452 4.460 -0.000 0.000 0.408 229 C C 2.166 177.224 174.990 0.113 0.000 1.421 229 C CA 0.038 59.111 59.018 0.091 0.000 1.642 229 C CB -0.109 27.663 27.740 0.054 0.000 2.553 229 C HN 0.403 nan 8.230 nan 0.000 0.604 230 E N 2.227 122.485 120.200 0.096 0.000 2.028 230 E HA -0.119 4.230 4.350 -0.000 0.000 0.191 230 E C 2.339 178.965 176.600 0.044 0.000 0.988 230 E CA 2.181 58.629 56.400 0.080 0.000 0.799 230 E CB -0.073 29.674 29.700 0.078 0.000 0.755 230 E HN 0.943 nan 8.360 nan 0.000 0.447 231 S N 0.189 115.910 115.700 0.035 0.000 2.383 231 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 231 S C 1.973 176.587 174.600 0.023 0.000 1.030 231 S CA 0.982 59.192 58.200 0.018 0.000 1.002 231 S CB -0.447 62.759 63.200 0.011 0.000 0.829 231 S HN 0.235 nan 8.310 nan 0.000 0.467 232 L N 2.010 123.262 121.223 0.048 0.000 1.994 232 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 232 L C 2.523 179.434 176.870 0.068 0.000 1.071 232 L CA 2.572 57.450 54.840 0.064 0.000 0.745 232 L CB -1.938 40.171 42.059 0.083 0.000 0.892 232 L HN 0.565 nan 8.230 nan 0.000 0.431 233 H N 0.374 119.411 119.070 -0.055 0.000 2.289 233 H HA -0.190 4.365 4.556 -0.002 0.000 0.294 233 H C 1.984 177.240 175.328 -0.120 0.000 1.095 233 H CA 2.404 58.362 56.048 -0.149 0.000 1.256 233 H CB 0.038 29.508 29.762 -0.486 0.000 1.359 233 H HN 0.376 nan 8.280 nan 0.000 0.487 234 N N 0.402 119.001 118.700 -0.168 0.000 2.104 234 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 234 N C 2.099 177.567 175.510 -0.070 0.000 1.024 234 N CA 1.338 54.293 53.050 -0.158 0.000 0.853 234 N CB -0.349 38.102 38.487 -0.060 0.000 1.008 234 N HN 0.433 nan 8.380 nan 0.000 0.424 235 R N 0.153 120.638 120.500 -0.025 0.000 2.070 235 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 235 R C 1.989 178.355 176.300 0.109 0.000 1.138 235 R CA 0.782 56.907 56.100 0.042 0.000 0.936 235 R CB -0.418 29.902 30.300 0.034 0.000 0.839 235 R HN 0.071 nan 8.270 nan 0.000 0.429 236 L N 0.798 122.058 121.223 0.063 0.000 2.013 236 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 236 L C 2.365 179.271 176.870 0.060 0.000 1.073 236 L CA 1.775 56.678 54.840 0.103 0.000 0.753 236 L CB -0.841 41.287 42.059 0.116 0.000 0.890 236 L HN 0.090 nan 8.230 nan 0.000 0.432 237 R N -1.333 119.098 120.500 -0.115 0.000 2.092 237 R HA -0.198 4.142 4.340 -0.000 0.000 0.231 237 R C 2.263 178.548 176.300 -0.026 0.000 1.119 237 R CA 1.173 57.176 56.100 -0.163 0.000 0.970 237 R CB -0.548 29.542 30.300 -0.351 0.000 0.864 237 R HN 0.267 nan 8.270 nan 0.000 0.440 238 F N 0.452 120.348 119.950 -0.089 0.000 2.075 238 F HA -0.144 4.384 4.527 0.003 0.000 0.297 238 F C 1.560 177.352 175.800 -0.012 0.000 1.113 238 F CA 1.638 59.611 58.000 -0.046 0.000 1.218 238 F CB -0.300 38.681 39.000 -0.033 0.000 0.984 238 F HN -0.024 nan 8.300 nan 0.000 0.472 239 L N 0.093 121.381 121.223 0.109 0.000 2.131 239 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 239 L C 2.620 179.491 176.870 0.002 0.000 1.092 239 L CA 1.605 56.462 54.840 0.027 0.000 0.759 239 L CB -0.932 41.225 42.059 0.163 0.000 0.903 239 L HN 0.341 nan 8.230 nan 0.000 0.435 240 Q N 0.504 120.352 119.800 0.080 0.000 2.135 240 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 240 Q C 1.789 177.750 176.000 -0.065 0.000 0.981 240 Q CA 1.987 57.840 55.803 0.083 0.000 0.856 240 Q CB 0.064 28.756 28.738 -0.077 0.000 0.902 240 Q HN 0.525 nan 8.270 nan 0.000 0.425 241 N N -0.965 117.644 118.700 -0.152 0.000 2.251 241 N HA -0.030 4.710 4.740 -0.000 0.000 0.181 241 N C 1.613 176.982 175.510 -0.235 0.000 1.019 241 N CA 1.322 54.258 53.050 -0.190 0.000 0.862 241 N CB 0.262 38.614 38.487 -0.225 0.000 0.992 241 N HN 0.061 nan 8.380 nan 0.000 0.429 242 S N 0.003 115.482 115.700 -0.369 0.000 2.414 242 S HA 0.105 4.575 4.470 -0.000 0.000 0.227 242 S C 1.703 176.175 174.600 -0.213 0.000 1.022 242 S CA 0.505 58.483 58.200 -0.370 0.000 0.958 242 S CB 0.008 62.821 63.200 -0.646 0.000 0.797 242 S HN 0.251 nan 8.310 nan 0.000 0.493 243 L N 0.831 121.948 121.223 -0.178 0.000 2.446 243 L HA 0.179 4.519 4.340 -0.000 0.000 0.219 243 L C 1.706 178.522 176.870 -0.090 0.000 1.116 243 L CA 0.461 55.211 54.840 -0.150 0.000 0.844 243 L CB -0.914 41.029 42.059 -0.193 0.000 0.970 243 L HN 0.506 nan 8.230 nan 0.000 0.457 244 G N 1.026 109.786 108.800 -0.068 0.000 2.283 244 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.280 244 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.280 244 G C 0.487 175.383 174.900 -0.007 0.000 1.029 244 G CA 0.374 45.450 45.100 -0.041 0.000 0.840 244 G HN 0.501 nan 8.290 nan 0.000 0.505 245 A N -0.214 122.630 122.820 0.039 0.000 3.260 245 A HA 0.630 4.950 4.320 -0.000 0.000 0.268 245 A C 0.980 178.632 177.584 0.113 0.000 1.491 245 A CA 0.375 52.459 52.037 0.079 0.000 1.181 245 A CB -0.248 18.807 19.000 0.091 0.000 1.137 245 A HN 1.807 nan 8.150 nan 0.000 0.642 246 V N -1.931 118.002 119.914 0.031 0.000 2.785 246 V HA 0.636 4.756 4.120 -0.000 0.000 0.300 246 V C -2.581 173.515 176.094 0.003 0.000 1.062 246 V CA -2.195 60.093 62.300 -0.020 0.000 1.029 246 V CB 0.782 32.578 31.823 -0.046 0.000 1.024 246 V HN 0.381 nan 8.190 nan 0.000 0.477 247 P HA 0.281 nan 4.420 nan 0.000 0.281 247 P C -0.200 177.105 177.300 0.008 0.000 1.249 247 P CA -0.299 62.808 63.100 0.012 0.000 0.810 247 P CB 0.904 32.612 31.700 0.014 0.000 1.008 248 S N 2.204 117.913 115.700 0.016 0.000 2.546 248 S HA 0.071 4.541 4.470 -0.000 0.000 0.290 248 S C -1.333 173.280 174.600 0.022 0.000 1.290 248 S CA -0.840 57.370 58.200 0.016 0.000 1.069 248 S CB -0.448 62.763 63.200 0.017 0.000 0.846 248 S HN 0.240 nan 8.310 nan 0.000 0.495 249 P HA -0.120 nan 4.420 nan 0.000 0.217 249 P C 1.318 178.646 177.300 0.046 0.000 1.148 249 P CA 1.141 64.257 63.100 0.028 0.000 0.828 249 P CB -0.006 31.703 31.700 0.015 0.000 0.783 250 I N -0.480 120.111 120.570 0.034 0.000 2.252 250 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 250 I C 1.641 177.820 176.117 0.103 0.000 1.102 250 I CA 1.642 62.977 61.300 0.057 0.000 1.385 250 I CB -1.044 36.968 38.000 0.020 0.000 1.064 250 I HN -0.037 nan 8.210 nan 0.000 0.414 251 D N 0.888 121.326 120.400 0.064 0.000 2.123 251 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 251 D C 2.321 178.650 176.300 0.049 0.000 0.992 251 D CA 1.108 55.140 54.000 0.054 0.000 0.833 251 D CB -0.354 40.469 40.800 0.038 0.000 0.954 251 D HN 0.310 nan 8.370 nan 0.000 0.455 252 C N 0.175 119.506 119.300 0.050 0.000 2.413 252 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 252 C C 2.463 177.474 174.990 0.036 0.000 1.236 252 C CA 0.377 59.416 59.018 0.036 0.000 1.735 252 C CB -1.202 26.560 27.740 0.037 0.000 2.031 252 C HN 0.399 nan 8.230 nan 0.000 0.474 253 Y N 1.115 121.397 120.300 -0.031 0.000 2.114 253 Y HA -0.231 4.319 4.550 -0.001 0.000 0.282 253 Y C 2.188 178.063 175.900 -0.041 0.000 1.165 253 Y CA 1.695 59.769 58.100 -0.043 0.000 1.148 253 Y CB -0.574 37.852 38.460 -0.057 0.000 0.972 253 Y HN 0.141 nan 8.280 nan 0.000 0.504 254 L N -0.489 120.691 121.223 -0.072 0.000 2.056 254 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 254 L C 2.877 179.650 176.870 -0.162 0.000 1.078 254 L CA 1.738 56.503 54.840 -0.125 0.000 0.749 254 L CB -1.614 40.462 42.059 0.030 0.000 0.901 254 L HN 0.583 nan 8.230 nan 0.000 0.433 255 C N -0.419 118.826 119.300 -0.092 0.000 2.446 255 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 255 C C 2.782 177.712 174.990 -0.101 0.000 1.275 255 C CA 0.764 59.747 59.018 -0.059 0.000 1.727 255 C CB -0.909 26.819 27.740 -0.020 0.000 2.010 255 C HN 0.609 nan 8.230 nan 0.000 0.486 256 N N 0.646 119.255 118.700 -0.152 0.000 2.289 256 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 256 N C 2.070 177.445 175.510 -0.225 0.000 1.016 256 N CA 1.024 53.974 53.050 -0.168 0.000 0.872 256 N CB -0.616 37.770 38.487 -0.168 0.000 0.973 256 N HN 0.619 nan 8.380 nan 0.000 0.433 257 R N -0.158 120.135 120.500 -0.345 0.000 2.093 257 R HA -0.015 4.325 4.340 -0.000 0.000 0.224 257 R C 2.048 178.229 176.300 -0.197 0.000 1.101 257 R CA 1.182 57.075 56.100 -0.344 0.000 0.979 257 R CB -0.458 29.540 30.300 -0.503 0.000 0.877 257 R HN 0.203 nan 8.270 nan 0.000 0.441 258 G N 1.360 110.070 108.800 -0.151 0.000 2.421 258 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 258 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 258 G C 1.239 176.192 174.900 0.089 0.000 1.171 258 G CA 0.210 45.318 45.100 0.013 0.000 0.775 258 G HN 0.184 nan 8.290 nan 0.000 0.543 259 L N 0.658 121.896 121.223 0.025 0.000 2.270 259 L HA -0.085 4.254 4.340 -0.000 0.000 0.217 259 L C 2.540 179.435 176.870 0.040 0.000 1.107 259 L CA 1.362 56.218 54.840 0.026 0.000 0.772 259 L CB -0.326 41.710 42.059 -0.037 0.000 0.902 259 L HN 0.123 nan 8.230 nan 0.000 0.439 260 K N -1.105 119.306 120.400 0.017 0.000 2.366 260 K HA 0.054 4.373 4.320 -0.000 0.000 0.198 260 K C 1.608 178.293 176.600 0.143 0.000 1.044 260 K CA 1.252 57.553 56.287 0.025 0.000 0.973 260 K CB -0.367 32.117 32.500 -0.027 0.000 0.767 260 K HN 0.543 nan 8.250 nan 0.000 0.475 261 T N -1.814 112.835 114.554 0.158 0.000 3.092 261 T HA 0.109 4.459 4.350 -0.000 0.000 0.258 261 T C 1.566 176.359 174.700 0.154 0.000 1.031 261 T CA -0.339 61.858 62.100 0.163 0.000 0.925 261 T CB 0.046 68.988 68.868 0.124 0.000 1.036 261 T HN -0.125 nan 8.240 nan 0.000 0.544 262 L N 3.332 124.674 121.223 0.199 0.000 1.997 262 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 262 L C 2.518 179.335 176.870 -0.088 0.000 1.074 262 L CA 2.565 57.472 54.840 0.111 0.000 0.763 262 L CB -1.042 41.123 42.059 0.177 0.000 0.890 262 L HN 0.712 nan 8.230 nan 0.000 0.434 263 H N -2.467 116.409 119.070 -0.323 0.000 2.353 263 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 263 H C 1.927 176.924 175.328 -0.553 0.000 1.090 263 H CA 1.603 57.163 56.048 -0.814 0.000 1.327 263 H CB -1.008 28.501 29.762 -0.421 0.000 1.383 263 H HN 0.308 nan 8.280 nan 0.000 0.508 264 V N -0.418 119.070 119.914 -0.710 0.000 2.548 264 V HA -0.087 4.033 4.120 -0.000 0.000 0.249 264 V C 2.416 178.356 176.094 -0.256 0.000 1.055 264 V CA 1.355 63.368 62.300 -0.478 0.000 1.065 264 V CB -0.545 31.004 31.823 -0.456 0.000 0.681 264 V HN 0.256 nan 8.190 nan 0.000 0.462 265 R N -0.532 119.861 120.500 -0.178 0.000 2.062 265 R HA -0.006 4.334 4.340 -0.000 0.000 0.231 265 R C 2.434 178.753 176.300 0.033 0.000 1.136 265 R CA 1.882 57.942 56.100 -0.066 0.000 0.948 265 R CB -0.434 29.912 30.300 0.076 0.000 0.845 265 R HN 0.375 nan 8.270 nan 0.000 0.430 266 M N 0.452 120.026 119.600 -0.043 0.000 2.213 266 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 266 M C 1.894 178.312 176.300 0.196 0.000 1.062 266 M CA 1.478 56.782 55.300 0.007 0.000 1.105 266 M CB -0.722 31.591 32.600 -0.477 0.000 1.385 266 M HN 0.033 nan 8.290 nan 0.000 0.417 267 E N 0.441 120.649 120.200 0.013 0.000 2.072 267 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 267 E C 1.985 178.689 176.600 0.173 0.000 0.985 267 E CA 1.316 57.840 56.400 0.207 0.000 0.801 267 E CB 0.032 29.769 29.700 0.062 0.000 0.750 267 E HN 0.248 nan 8.360 nan 0.000 0.452 268 K N -0.493 119.922 120.400 0.026 0.000 2.097 268 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 268 K C 1.962 178.577 176.600 0.025 0.000 1.050 268 K CA 1.411 57.680 56.287 -0.030 0.000 0.938 268 K CB -0.226 32.191 32.500 -0.138 0.000 0.718 268 K HN 0.272 nan 8.250 nan 0.000 0.442 269 H N -0.661 118.499 119.070 0.151 0.000 2.353 269 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 269 H C 1.907 177.408 175.328 0.288 0.000 1.103 269 H CA 1.711 57.883 56.048 0.206 0.000 1.293 269 H CB -0.413 29.483 29.762 0.222 0.000 1.372 269 H HN 0.205 nan 8.280 nan 0.000 0.501 270 F N 2.119 122.225 119.950 0.260 0.000 2.069 270 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 270 F C 2.247 178.114 175.800 0.112 0.000 1.113 270 F CA 1.450 59.545 58.000 0.159 0.000 1.214 270 F CB -0.407 38.659 39.000 0.110 0.000 0.978 270 F HN -0.037 nan 8.300 nan 0.000 0.474 271 K N -0.079 120.343 120.400 0.036 0.000 2.009 271 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 271 K C 1.887 178.472 176.600 -0.025 0.000 1.049 271 K CA 1.696 57.922 56.287 -0.103 0.000 0.929 271 K CB -0.315 32.140 32.500 -0.075 0.000 0.714 271 K HN 0.198 nan 8.250 nan 0.000 0.440 272 N N 0.230 118.952 118.700 0.036 0.000 2.058 272 N HA -0.111 4.628 4.740 -0.000 0.000 0.191 272 N C 1.902 177.439 175.510 0.045 0.000 1.037 272 N CA 1.475 54.545 53.050 0.033 0.000 0.848 272 N CB -0.882 37.627 38.487 0.037 0.000 1.021 272 N HN 0.307 nan 8.380 nan 0.000 0.422 273 G N 1.037 109.903 108.800 0.111 0.000 2.529 273 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 273 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 273 G C 1.596 176.347 174.900 -0.249 0.000 1.177 273 G CA 1.452 46.559 45.100 0.012 0.000 0.773 273 G HN 0.257 nan 8.290 nan 0.000 0.573 274 M N 1.494 121.051 119.600 -0.071 0.000 2.080 274 M HA 0.132 4.612 4.480 -0.000 0.000 0.260 274 M C 2.688 178.928 176.300 -0.100 0.000 1.068 274 M CA 1.791 57.040 55.300 -0.086 0.000 1.109 274 M CB -0.534 32.059 32.600 -0.011 0.000 1.342 274 M HN 0.244 nan 8.290 nan 0.000 0.405 275 A N -1.174 121.610 122.820 -0.061 0.000 1.933 275 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 275 A C 2.173 179.761 177.584 0.007 0.000 1.175 275 A CA 1.897 53.921 52.037 -0.022 0.000 0.628 275 A CB -1.162 17.824 19.000 -0.024 0.000 0.814 275 A HN 0.393 nan 8.150 nan 0.000 0.444 276 V N -0.375 119.525 119.914 -0.023 0.000 2.453 276 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 276 V C 3.007 179.090 176.094 -0.017 0.000 1.048 276 V CA 1.720 64.031 62.300 0.018 0.000 1.049 276 V CB -1.029 30.823 31.823 0.047 0.000 0.672 276 V HN 0.610 nan 8.190 nan 0.000 0.457 277 A N -0.853 121.870 122.820 -0.161 0.000 1.873 277 A HA -0.282 4.037 4.320 -0.000 0.000 0.215 277 A C 2.155 179.718 177.584 -0.035 0.000 1.186 277 A CA 2.004 53.951 52.037 -0.150 0.000 0.616 277 A CB -0.529 18.272 19.000 -0.331 0.000 0.823 277 A HN 0.546 nan 8.150 nan 0.000 0.442 278 Q N -1.478 118.316 119.800 -0.009 0.000 1.985 278 Q HA -0.227 4.113 4.340 -0.000 0.000 0.207 278 Q C 1.856 177.873 176.000 0.028 0.000 0.996 278 Q CA 2.300 58.116 55.803 0.021 0.000 0.851 278 Q CB -0.430 28.328 28.738 0.033 0.000 0.921 278 Q HN 0.691 nan 8.270 nan 0.000 0.418 279 F N 0.669 120.578 119.950 -0.068 0.000 2.063 279 F HA -0.306 4.221 4.527 -0.001 0.000 0.298 279 F C 1.685 177.427 175.800 -0.095 0.000 1.105 279 F CA 1.738 59.697 58.000 -0.068 0.000 1.215 279 F CB -0.297 38.671 39.000 -0.054 0.000 0.972 279 F HN 0.052 nan 8.300 nan 0.000 0.483 280 L N -0.052 121.102 121.223 -0.115 0.000 2.046 280 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 280 L C 2.471 179.194 176.870 -0.244 0.000 1.077 280 L CA 1.943 56.613 54.840 -0.282 0.000 0.747 280 L CB -0.889 40.974 42.059 -0.326 0.000 0.896 280 L HN 0.247 nan 8.230 nan 0.000 0.432 281 E N -0.434 119.682 120.200 -0.141 0.000 2.268 281 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 281 E C 1.952 178.466 176.600 -0.144 0.000 0.995 281 E CA 0.879 57.222 56.400 -0.095 0.000 0.836 281 E CB 0.179 29.862 29.700 -0.028 0.000 0.763 281 E HN 0.256 nan 8.360 nan 0.000 0.491 282 S N 0.134 115.706 115.700 -0.214 0.000 2.548 282 S HA 0.053 4.523 4.470 -0.000 0.000 0.215 282 S C 0.305 174.703 174.600 -0.336 0.000 0.976 282 S CA -0.389 57.668 58.200 -0.237 0.000 0.908 282 S CB 0.027 63.101 63.200 -0.209 0.000 0.781 282 S HN 0.235 nan 8.310 nan 0.000 0.519 283 N N 2.476 120.921 118.700 -0.424 0.000 2.444 283 N HA 0.147 4.887 4.740 -0.000 0.000 0.271 283 N C -2.097 173.191 175.510 -0.371 0.000 1.069 283 N CA -1.514 51.254 53.050 -0.469 0.000 0.965 283 N CB 1.625 39.787 38.487 -0.542 0.000 1.092 283 N HN 0.051 nan 8.380 nan 0.000 0.476 284 P HA 0.002 nan 4.420 nan 0.000 0.237 284 P C 0.367 177.367 177.300 -0.500 0.000 1.178 284 P CA 0.712 63.490 63.100 -0.536 0.000 0.766 284 P CB -0.111 31.163 31.700 -0.711 0.000 0.876 285 W N -0.337 120.858 121.300 -0.175 0.000 3.290 285 W HA 0.190 4.850 4.660 -0.001 0.000 0.287 285 W C 0.212 176.667 176.519 -0.106 0.000 1.288 285 W CA -0.521 56.691 57.345 -0.220 0.000 1.725 285 W CB 0.326 29.703 29.460 -0.138 0.000 1.103 285 W HN -0.342 nan 8.180 nan 0.000 0.670 286 V N 1.289 121.250 119.914 0.078 0.000 2.398 286 V HA 0.080 4.200 4.120 -0.000 0.000 0.286 286 V C 0.983 177.129 176.094 0.086 0.000 1.026 286 V CA -0.399 61.974 62.300 0.122 0.000 0.868 286 V CB 1.672 33.519 31.823 0.039 0.000 0.982 286 V HN -0.067 nan 8.190 nan 0.000 0.443 287 E N 4.653 124.935 120.200 0.136 0.000 2.028 287 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 287 E C 0.770 177.412 176.600 0.069 0.000 0.984 287 E CA 1.376 57.820 56.400 0.073 0.000 0.800 287 E CB 0.280 30.020 29.700 0.067 0.000 0.758 287 E HN 0.576 nan 8.360 nan 0.000 0.448 288 K N -0.719 119.778 120.400 0.162 0.000 2.562 288 K HA 0.370 4.689 4.320 -0.000 0.000 0.267 288 K C -1.900 174.866 176.600 0.276 0.000 0.938 288 K CA -0.739 55.643 56.287 0.159 0.000 0.840 288 K CB 2.022 34.576 32.500 0.089 0.000 1.390 288 K HN -0.030 nan 8.250 nan 0.000 0.428 289 V N 4.382 124.423 119.914 0.212 0.000 2.604 289 V HA 0.528 4.647 4.120 -0.000 0.000 0.305 289 V C -0.330 175.916 176.094 0.254 0.000 1.043 289 V CA -0.820 61.630 62.300 0.250 0.000 0.888 289 V CB 1.721 33.642 31.823 0.163 0.000 0.995 289 V HN 0.601 nan 8.190 nan 0.000 0.429 290 I N 5.108 125.861 120.570 0.305 0.000 2.390 290 I HA 0.484 4.654 4.170 -0.000 0.000 0.283 290 I C -1.352 175.040 176.117 0.460 0.000 1.016 290 I CA -0.548 60.945 61.300 0.321 0.000 1.151 290 I CB 0.979 39.136 38.000 0.262 0.000 1.293 290 I HN 0.639 nan 8.210 nan 0.000 0.458 291 Y N 8.549 129.066 120.300 0.361 0.000 2.323 291 Y HA 0.354 4.904 4.550 -0.000 0.000 0.322 291 Y C -2.415 173.653 175.900 0.279 0.000 1.133 291 Y CA -1.749 56.528 58.100 0.296 0.000 1.093 291 Y CB 2.285 40.877 38.460 0.221 0.000 1.203 291 Y HN 0.276 nan 8.280 nan 0.000 0.427 292 P HA -0.117 nan 4.420 nan 0.000 0.217 292 P C 1.296 178.495 177.300 -0.167 0.000 1.148 292 P CA 2.385 65.158 63.100 -0.546 0.000 0.828 292 P CB 0.267 31.641 31.700 -0.543 0.000 0.783 293 G N -1.675 106.915 108.800 -0.350 0.000 2.848 293 G HA2 0.030 3.990 3.960 -0.000 0.000 0.208 293 G HA3 0.030 3.990 3.960 -0.000 0.000 0.208 293 G C 0.327 175.481 174.900 0.423 0.000 1.152 293 G CA -0.029 45.244 45.100 0.289 0.000 0.789 293 G HN 0.216 nan 8.290 nan 0.000 0.531 294 L N 0.295 121.700 121.223 0.302 0.000 2.307 294 L HA 0.277 4.617 4.340 -0.000 0.000 0.282 294 L C -1.410 175.284 176.870 -0.294 0.000 1.051 294 L CA -2.109 52.784 54.840 0.087 0.000 0.804 294 L CB 2.335 44.525 42.059 0.218 0.000 1.197 294 L HN -0.124 nan 8.230 nan 0.000 0.431 295 P HA -0.155 nan 4.420 nan 0.000 0.221 295 P C 1.266 178.490 177.300 -0.126 0.000 1.145 295 P CA 0.952 63.751 63.100 -0.502 0.000 0.795 295 P CB 0.207 31.765 31.700 -0.237 0.000 0.775 296 S N -2.862 112.817 115.700 -0.035 0.000 2.527 296 S HA -0.069 4.400 4.470 -0.000 0.000 0.222 296 S C 0.774 175.421 174.600 0.079 0.000 0.985 296 S CA -0.152 58.064 58.200 0.026 0.000 0.921 296 S CB -1.363 61.852 63.200 0.025 0.000 0.772 296 S HN 0.221 nan 8.310 nan 0.000 0.529 297 H N 4.115 123.217 119.070 0.053 0.000 3.004 297 H HA 0.184 4.740 4.556 -0.000 0.000 0.316 297 H C -1.386 173.996 175.328 0.090 0.000 1.014 297 H CA -1.110 54.995 56.048 0.094 0.000 1.454 297 H CB 0.907 30.746 29.762 0.127 0.000 1.472 297 H HN 0.042 nan 8.280 nan 0.000 0.571 298 P HA -0.177 nan 4.420 nan 0.000 0.219 298 P C 0.313 177.715 177.300 0.170 0.000 1.146 298 P CA 1.218 64.347 63.100 0.048 0.000 0.808 298 P CB 0.346 32.021 31.700 -0.042 0.000 0.779 299 Q N -2.194 117.841 119.800 0.391 0.000 2.201 299 Q HA 0.051 4.391 4.340 -0.000 0.000 0.217 299 Q C 1.524 177.627 176.000 0.172 0.000 0.860 299 Q CA -0.109 55.852 55.803 0.263 0.000 0.984 299 Q CB -0.740 28.130 28.738 0.220 0.000 1.095 299 Q HN 0.346 nan 8.270 nan 0.000 0.477 300 H N 0.625 119.770 119.070 0.124 0.000 2.319 300 H HA -0.184 4.372 4.556 -0.000 0.000 0.297 300 H C 1.566 176.835 175.328 -0.098 0.000 1.097 300 H CA 2.026 58.066 56.048 -0.013 0.000 1.285 300 H CB 0.552 30.334 29.762 0.033 0.000 1.368 300 H HN 0.146 nan 8.280 nan 0.000 0.495 301 E N 0.380 120.519 120.200 -0.103 0.000 2.051 301 E HA -0.125 4.224 4.350 -0.000 0.000 0.192 301 E C 2.528 178.990 176.600 -0.229 0.000 0.991 301 E CA 0.974 57.253 56.400 -0.202 0.000 0.799 301 E CB -0.565 29.095 29.700 -0.067 0.000 0.748 301 E HN 0.536 nan 8.360 nan 0.000 0.449 302 L N -0.205 120.938 121.223 -0.132 0.000 2.042 302 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 302 L C 2.111 178.883 176.870 -0.163 0.000 1.076 302 L CA 1.115 55.888 54.840 -0.112 0.000 0.749 302 L CB -0.234 41.796 42.059 -0.048 0.000 0.893 302 L HN 0.096 nan 8.230 nan 0.000 0.432 303 V N 0.080 119.863 119.914 -0.219 0.000 2.380 303 V HA -0.345 3.775 4.120 -0.000 0.000 0.251 303 V C 2.440 178.366 176.094 -0.281 0.000 1.063 303 V CA 2.002 64.165 62.300 -0.228 0.000 1.055 303 V CB -0.621 31.047 31.823 -0.259 0.000 0.657 303 V HN 0.484 nan 8.190 nan 0.000 0.455 304 K N -0.369 119.709 120.400 -0.536 0.000 2.155 304 K HA -0.050 4.269 4.320 -0.000 0.000 0.203 304 K C 2.303 178.719 176.600 -0.307 0.000 1.052 304 K CA 0.835 56.716 56.287 -0.677 0.000 0.948 304 K CB -0.176 31.765 32.500 -0.932 0.000 0.728 304 K HN 0.411 nan 8.250 nan 0.000 0.448 305 R N 0.662 121.034 120.500 -0.213 0.000 2.153 305 R HA -0.093 4.247 4.340 -0.000 0.000 0.218 305 R C 2.182 178.445 176.300 -0.062 0.000 1.072 305 R CA 1.018 57.048 56.100 -0.116 0.000 0.990 305 R CB 0.115 30.362 30.300 -0.088 0.000 0.889 305 R HN 0.277 nan 8.270 nan 0.000 0.452 306 Q N -0.794 118.971 119.800 -0.058 0.000 2.316 306 Q HA 0.091 4.431 4.340 -0.000 0.000 0.235 306 Q C -0.523 175.495 176.000 0.030 0.000 0.863 306 Q CA 0.229 56.027 55.803 -0.009 0.000 0.939 306 Q CB 0.927 29.653 28.738 -0.021 0.000 1.108 306 Q HN 0.176 nan 8.270 nan 0.000 0.522 307 C N -0.102 119.210 119.300 0.020 0.000 2.802 307 C HA 0.371 4.831 4.460 -0.000 0.000 0.307 307 C C 1.352 176.360 174.990 0.031 0.000 1.222 307 C CA -0.307 58.737 59.018 0.043 0.000 1.580 307 C CB 1.539 29.282 27.740 0.005 0.000 2.119 307 C HN 0.505 nan 8.230 nan 0.000 0.479 308 T N -1.391 113.088 114.554 -0.125 0.000 3.113 308 T HA 0.450 4.800 4.350 -0.000 0.000 0.256 308 T C 0.688 175.078 174.700 -0.517 0.000 1.131 308 T CA 0.826 62.727 62.100 -0.332 0.000 1.074 308 T CB -0.063 68.436 68.868 -0.616 0.000 0.944 308 T HN 1.476 nan 8.240 nan 0.000 0.516 309 G N -0.872 107.423 108.800 -0.841 0.000 2.325 309 G HA2 0.455 4.414 3.960 -0.000 0.000 0.295 309 G HA3 0.455 4.414 3.960 -0.000 0.000 0.295 309 G C -1.563 172.056 174.900 -2.136 0.000 1.274 309 G CA -0.353 43.535 45.100 -2.020 0.000 0.857 309 G HN 0.441 nan 8.290 nan 0.000 0.499 310 C N -0.581 117.029 119.300 -2.817 0.000 2.913 310 C HA 0.963 5.423 4.460 -0.000 0.000 0.322 310 C C 1.077 175.488 174.990 -0.964 0.000 1.292 310 C CA 0.067 58.209 59.018 -1.460 0.000 1.649 310 C CB 1.140 28.385 27.740 -0.826 0.000 2.139 310 C HN 1.245 nan 8.230 nan 0.000 0.475 311 T N -1.294 113.090 114.554 -0.284 0.000 2.898 311 T HA 0.554 4.904 4.350 -0.000 0.000 0.283 311 T C 1.006 175.900 174.700 0.323 0.000 1.059 311 T CA 0.429 62.544 62.100 0.026 0.000 0.958 311 T CB 0.554 69.352 68.868 -0.116 0.000 1.594 311 T HN 0.941 nan 8.240 nan 0.000 0.598 312 G N -0.228 108.762 108.800 0.316 0.000 3.088 312 G HA2 0.235 4.195 3.960 -0.000 0.000 0.217 312 G HA3 0.235 4.195 3.960 -0.000 0.000 0.217 312 G C 0.486 175.574 174.900 0.313 0.000 1.159 312 G CA -0.370 44.950 45.100 0.366 0.000 0.760 312 G HN 0.472 nan 8.290 nan 0.000 0.550 313 M N 1.961 121.736 119.600 0.291 0.000 2.220 313 M HA 0.290 4.770 4.480 -0.000 0.000 0.343 313 M C -0.763 175.768 176.300 0.386 0.000 1.470 313 M CA -0.287 55.139 55.300 0.211 0.000 1.161 313 M CB 0.603 33.196 32.600 -0.011 0.000 1.737 313 M HN -0.222 nan 8.290 nan 0.000 0.464 314 V N 3.498 123.606 119.914 0.323 0.000 2.443 314 V HA 0.498 4.618 4.120 -0.000 0.000 0.293 314 V C 0.280 176.572 176.094 0.329 0.000 1.021 314 V CA -0.799 61.704 62.300 0.338 0.000 0.848 314 V CB 1.894 33.808 31.823 0.151 0.000 0.998 314 V HN 0.891 nan 8.190 nan 0.000 0.424 315 T N 3.183 117.939 114.554 0.337 0.000 2.888 315 T HA 0.894 5.244 4.350 -0.000 0.000 0.284 315 T C -0.803 174.084 174.700 0.313 0.000 1.017 315 T CA -0.481 61.774 62.100 0.257 0.000 1.022 315 T CB 1.633 70.583 68.868 0.137 0.000 1.013 315 T HN 0.758 nan 8.240 nan 0.000 0.465 316 F N 0.168 120.077 119.950 -0.067 0.000 2.711 316 F HA 0.747 5.274 4.527 -0.001 0.000 0.313 316 F C -2.396 173.297 175.800 -0.178 0.000 1.141 316 F CA -1.835 56.139 58.000 -0.044 0.000 0.941 316 F CB 1.213 40.209 39.000 -0.007 0.000 1.349 316 F HN 0.532 nan 8.300 nan 0.000 0.464 317 Y N 2.691 122.975 120.300 -0.027 0.000 2.328 317 Y HA 0.526 5.076 4.550 -0.001 0.000 0.336 317 Y C -0.007 175.866 175.900 -0.045 0.000 0.960 317 Y CA -0.868 57.146 58.100 -0.144 0.000 1.134 317 Y CB 1.723 40.161 38.460 -0.036 0.000 1.166 317 Y HN 0.689 nan 8.280 nan 0.000 0.464 318 I N 3.480 124.023 120.570 -0.046 0.000 2.581 318 I HA 0.180 4.350 4.170 -0.000 0.000 0.288 318 I C -0.055 176.144 176.117 0.136 0.000 1.047 318 I CA -0.613 60.742 61.300 0.091 0.000 1.374 318 I CB 0.766 38.747 38.000 -0.032 0.000 1.423 318 I HN 0.555 nan 8.210 nan 0.000 0.549 319 K N 4.076 124.572 120.400 0.160 0.000 2.295 319 K HA 0.502 4.822 4.320 -0.000 0.000 0.270 319 K C 0.138 176.783 176.600 0.074 0.000 1.011 319 K CA 1.063 57.408 56.287 0.096 0.000 0.953 319 K CB 0.673 33.197 32.500 0.040 0.000 0.956 319 K HN 0.895 nan 8.250 nan 0.000 0.477 320 G N 0.962 109.760 108.800 -0.003 0.000 2.445 320 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.212 320 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.212 320 G C -0.306 174.660 174.900 0.111 0.000 1.217 320 G CA -0.247 44.797 45.100 -0.094 0.000 1.002 320 G HN 0.966 nan 8.290 nan 0.000 0.574 321 T N -2.566 112.192 114.554 0.340 0.000 2.724 321 T HA 0.643 4.992 4.350 -0.000 0.000 0.274 321 T C 1.458 176.259 174.700 0.170 0.000 0.984 321 T CA 0.557 62.785 62.100 0.213 0.000 1.024 321 T CB 1.422 70.387 68.868 0.162 0.000 1.320 321 T HN 1.825 nan 8.240 nan 0.000 0.555 322 L N 0.649 121.917 121.223 0.076 0.000 2.079 322 L HA -0.015 4.324 4.340 -0.000 0.000 0.210 322 L C 2.784 179.656 176.870 0.003 0.000 1.081 322 L CA 2.198 57.059 54.840 0.035 0.000 0.752 322 L CB -1.220 40.849 42.059 0.016 0.000 0.896 322 L HN 0.918 nan 8.230 nan 0.000 0.433 323 Q N -1.066 118.702 119.800 -0.054 0.000 2.045 323 Q HA -0.310 4.030 4.340 -0.000 0.000 0.206 323 Q C 2.141 178.025 176.000 -0.193 0.000 0.991 323 Q CA 2.476 58.181 55.803 -0.162 0.000 0.851 323 Q CB -0.235 28.335 28.738 -0.280 0.000 0.911 323 Q HN 0.740 nan 8.270 nan 0.000 0.418 324 H N -0.349 118.679 119.070 -0.070 0.000 2.319 324 H HA -0.085 4.471 4.556 -0.001 0.000 0.299 324 H C 2.004 177.332 175.328 -0.000 0.000 1.092 324 H CA 1.543 57.526 56.048 -0.108 0.000 1.302 324 H CB -0.358 29.293 29.762 -0.184 0.000 1.373 324 H HN 0.464 nan 8.280 nan 0.000 0.497 325 A N 1.143 124.036 122.820 0.123 0.000 1.917 325 A HA -0.265 4.054 4.320 -0.000 0.000 0.219 325 A C 2.144 179.823 177.584 0.159 0.000 1.182 325 A CA 2.093 54.187 52.037 0.094 0.000 0.633 325 A CB -0.409 18.598 19.000 0.012 0.000 0.819 325 A HN 0.525 nan 8.150 nan 0.000 0.448 326 E N -0.658 119.588 120.200 0.076 0.000 2.072 326 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 326 E C 1.959 178.589 176.600 0.050 0.000 0.982 326 E CA 1.066 57.497 56.400 0.053 0.000 0.803 326 E CB -0.227 29.477 29.700 0.006 0.000 0.755 326 E HN 0.716 nan 8.360 nan 0.000 0.453 327 I N 0.678 121.265 120.570 0.029 0.000 2.202 327 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 327 I C 2.345 178.497 176.117 0.058 0.000 1.091 327 I CA 0.785 62.089 61.300 0.006 0.000 1.368 327 I CB -0.280 37.689 38.000 -0.052 0.000 1.058 327 I HN 0.079 nan 8.210 nan 0.000 0.410 328 F N 2.069 122.016 119.950 -0.005 0.000 2.043 328 F HA -0.297 4.230 4.527 -0.001 0.000 0.297 328 F C 2.210 178.031 175.800 0.035 0.000 1.118 328 F CA 1.953 59.975 58.000 0.038 0.000 1.202 328 F CB -0.444 38.611 39.000 0.091 0.000 0.965 328 F HN -0.118 nan 8.300 nan 0.000 0.482 329 L N 0.360 121.602 121.223 0.032 0.000 2.046 329 L HA -0.237 4.102 4.340 -0.000 0.000 0.208 329 L C 2.581 179.377 176.870 -0.123 0.000 1.077 329 L CA 1.951 56.730 54.840 -0.102 0.000 0.747 329 L CB -0.901 41.202 42.059 0.073 0.000 0.896 329 L HN 0.188 nan 8.230 nan 0.000 0.432 330 K N 0.293 120.656 120.400 -0.062 0.000 2.152 330 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 330 K C 1.629 178.182 176.600 -0.077 0.000 1.048 330 K CA 1.344 57.599 56.287 -0.053 0.000 0.933 330 K CB 0.021 32.503 32.500 -0.031 0.000 0.721 330 K HN 0.394 nan 8.250 nan 0.000 0.447 331 N N 0.495 119.123 118.700 -0.120 0.000 2.353 331 N HA 0.020 4.759 4.740 -0.000 0.000 0.185 331 N C -0.098 175.329 175.510 -0.138 0.000 1.098 331 N CA 0.061 53.046 53.050 -0.108 0.000 0.872 331 N CB 0.257 38.695 38.487 -0.082 0.000 0.970 331 N HN 0.138 nan 8.380 nan 0.000 0.467 332 L N 1.308 122.397 121.223 -0.224 0.000 2.525 332 L HA -0.047 4.293 4.340 -0.000 0.000 0.278 332 L C 1.254 178.101 176.870 -0.038 0.000 1.218 332 L CA 0.662 55.409 54.840 -0.156 0.000 0.878 332 L CB 0.523 42.474 42.059 -0.181 0.000 1.127 332 L HN -0.070 nan 8.230 nan 0.000 0.492 333 K N 2.122 122.528 120.400 0.010 0.000 2.450 333 K HA 0.205 4.524 4.320 -0.000 0.000 0.206 333 K C 0.986 177.608 176.600 0.037 0.000 1.148 333 K CA -0.161 56.136 56.287 0.018 0.000 1.014 333 K CB 0.725 33.230 32.500 0.007 0.000 0.966 333 K HN 0.521 nan 8.250 nan 0.000 0.566 334 L N -0.244 121.025 121.223 0.077 0.000 2.541 334 L HA 0.364 4.704 4.340 -0.000 0.000 0.187 334 L C -0.141 176.757 176.870 0.046 0.000 1.098 334 L CA 0.390 55.257 54.840 0.045 0.000 0.846 334 L CB 0.193 42.265 42.059 0.021 0.000 1.151 334 L HN -0.023 nan 8.230 nan 0.000 0.492 335 F N 1.388 121.335 119.950 -0.005 0.000 2.628 335 F HA 0.002 4.529 4.527 -0.001 0.000 0.362 335 F C 0.759 176.561 175.800 0.003 0.000 1.148 335 F CA 0.755 58.764 58.000 0.014 0.000 1.352 335 F CB 0.356 39.372 39.000 0.027 0.000 1.081 335 F HN -0.048 nan 8.300 nan 0.000 0.605 336 T N 4.333 118.995 114.554 0.180 0.000 2.823 336 T HA 0.357 4.707 4.350 -0.000 0.000 0.279 336 T C -0.755 174.015 174.700 0.115 0.000 0.998 336 T CA -0.624 61.540 62.100 0.107 0.000 0.994 336 T CB 1.291 70.196 68.868 0.061 0.000 0.960 336 T HN 0.385 nan 8.240 nan 0.000 0.448 337 L N 4.047 125.318 121.223 0.080 0.000 2.433 337 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 337 L C -0.091 176.816 176.870 0.062 0.000 1.120 337 L CA 0.421 55.304 54.840 0.073 0.000 0.879 337 L CB -1.244 40.845 42.059 0.050 0.000 1.232 337 L HN 0.830 nan 8.230 nan 0.000 0.454 338 A N 3.948 126.810 122.820 0.070 0.000 2.609 338 A HA 0.530 4.850 4.320 -0.000 0.000 0.291 338 A C -0.572 177.049 177.584 0.061 0.000 1.096 338 A CA -0.672 51.397 52.037 0.053 0.000 0.684 338 A CB 1.012 20.033 19.000 0.036 0.000 1.282 338 A HN 0.545 nan 8.150 nan 0.000 0.412 339 E N 0.838 121.070 120.200 0.054 0.000 2.597 339 E HA 0.479 4.828 4.350 -0.000 0.000 0.235 339 E C -0.371 176.265 176.600 0.060 0.000 1.155 339 E CA -0.044 56.398 56.400 0.070 0.000 1.199 339 E CB 0.511 30.253 29.700 0.069 0.000 1.409 339 E HN 0.571 nan 8.360 nan 0.000 0.453 340 S N 0.911 116.634 115.700 0.038 0.000 3.003 340 S HA 0.747 5.217 4.470 -0.000 0.000 0.313 340 S C -1.975 172.604 174.600 -0.035 0.000 1.230 340 S CA -0.623 57.580 58.200 0.006 0.000 0.977 340 S CB 0.766 63.945 63.200 -0.035 0.000 1.340 340 S HN 0.291 nan 8.310 nan 0.000 0.608 341 L N -2.441 118.705 121.223 -0.128 0.000 2.940 341 L HA 0.812 5.152 4.340 -0.000 0.000 0.270 341 L C 0.367 176.959 176.870 -0.463 0.000 1.030 341 L CA 0.112 54.805 54.840 -0.245 0.000 0.928 341 L CB 0.779 42.685 42.059 -0.254 0.000 1.506 341 L HN 1.368 nan 8.230 nan 0.000 0.405 342 G N -0.881 107.498 108.800 -0.701 0.000 2.143 342 G HA2 0.053 4.013 3.960 -0.000 0.000 0.248 342 G HA3 0.053 4.013 3.960 -0.000 0.000 0.248 342 G C 0.371 174.867 174.900 -0.673 0.000 0.991 342 G CA 0.475 44.767 45.100 -1.347 0.000 0.689 342 G HN 1.475 nan 8.290 nan 0.000 0.522 343 G N -0.700 107.870 108.800 -0.385 0.000 2.568 343 G HA2 0.671 4.631 3.960 -0.000 0.000 0.293 343 G HA3 0.671 4.631 3.960 -0.000 0.000 0.293 343 G C 0.846 175.661 174.900 -0.142 0.000 1.347 343 G CA -0.252 44.636 45.100 -0.353 0.000 1.039 343 G HN 0.677 nan 8.290 nan 0.000 0.523 344 F N -0.764 119.164 119.950 -0.037 0.000 2.325 344 F HA 0.214 4.741 4.527 -0.000 0.000 0.299 344 F C 0.644 176.416 175.800 -0.047 0.000 1.090 344 F CA -0.169 57.803 58.000 -0.047 0.000 1.392 344 F CB -0.424 38.491 39.000 -0.142 0.000 1.053 344 F HN 0.178 nan 8.300 nan 0.000 0.521 345 E N 1.186 121.452 120.200 0.109 0.000 2.289 345 E HA 0.248 4.598 4.350 -0.000 0.000 0.278 345 E C -0.298 176.270 176.600 -0.053 0.000 1.032 345 E CA -0.652 55.790 56.400 0.070 0.000 0.854 345 E CB 0.877 30.609 29.700 0.053 0.000 1.046 345 E HN 0.016 nan 8.360 nan 0.000 0.409 346 S N 2.579 118.180 115.700 -0.165 0.000 2.537 346 S HA 0.234 4.704 4.470 -0.000 0.000 0.286 346 S C -0.046 174.499 174.600 -0.091 0.000 1.299 346 S CA -0.338 57.659 58.200 -0.339 0.000 1.067 346 S CB -0.013 62.512 63.200 -1.124 0.000 0.864 346 S HN 0.340 nan 8.310 nan 0.000 0.494 347 L N 1.920 123.239 121.223 0.161 0.000 2.388 347 L HA 0.833 5.173 4.340 -0.000 0.000 0.264 347 L C -0.284 176.816 176.870 0.384 0.000 0.998 347 L CA -0.834 54.146 54.840 0.234 0.000 0.817 347 L CB 2.020 44.137 42.059 0.096 0.000 1.338 347 L HN 0.689 nan 8.230 nan 0.000 0.414 348 A N 2.053 125.047 122.820 0.290 0.000 2.475 348 A HA 0.856 5.176 4.320 -0.000 0.000 0.301 348 A C -1.117 176.562 177.584 0.160 0.000 1.059 348 A CA -0.380 51.798 52.037 0.234 0.000 0.710 348 A CB 2.097 21.226 19.000 0.215 0.000 1.288 348 A HN 0.826 nan 8.150 nan 0.000 0.408 349 E N 0.004 120.287 120.200 0.138 0.000 2.454 349 E HA 0.659 5.009 4.350 -0.000 0.000 0.279 349 E C -1.904 174.736 176.600 0.066 0.000 1.029 349 E CA -0.850 55.611 56.400 0.102 0.000 0.831 349 E CB 1.356 31.120 29.700 0.107 0.000 1.405 349 E HN 0.603 nan 8.360 nan 0.000 0.463 350 L N 1.651 122.903 121.223 0.047 0.000 2.470 350 L HA 0.428 4.768 4.340 -0.000 0.000 0.253 350 L C -2.291 174.590 176.870 0.018 0.000 1.163 350 L CA -1.974 52.868 54.840 0.003 0.000 0.932 350 L CB 1.497 43.562 42.059 0.010 0.000 1.213 350 L HN 0.462 nan 8.230 nan 0.000 0.485 351 P HA -0.275 nan 4.420 nan 0.000 0.220 351 P C 1.412 178.751 177.300 0.065 0.000 1.155 351 P CA 2.099 65.235 63.100 0.061 0.000 0.880 351 P CB 0.274 31.948 31.700 -0.044 0.000 0.790 352 A N -1.975 120.854 122.820 0.014 0.000 2.070 352 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 352 A C 2.029 179.630 177.584 0.029 0.000 1.159 352 A CA 1.496 53.545 52.037 0.020 0.000 0.656 352 A CB -1.223 17.778 19.000 0.002 0.000 0.800 352 A HN 0.219 nan 8.150 nan 0.000 0.453 353 I N -2.629 117.959 120.570 0.030 0.000 3.883 353 I HA 0.092 4.262 4.170 -0.000 0.000 0.305 353 I C 2.039 178.176 176.117 0.034 0.000 1.247 353 I CA 0.255 61.571 61.300 0.026 0.000 1.350 353 I CB 0.076 38.087 38.000 0.019 0.000 1.194 353 I HN 0.222 nan 8.210 nan 0.000 0.441 354 M N -0.627 119.003 119.600 0.050 0.000 2.094 354 M HA 0.095 4.574 4.480 -0.000 0.000 0.163 354 M C 2.076 178.417 176.300 0.068 0.000 1.495 354 M CA 0.648 55.982 55.300 0.056 0.000 1.481 354 M CB -0.570 32.068 32.600 0.064 0.000 0.856 354 M HN -0.216 nan 8.290 nan 0.000 0.650 355 T N 0.179 114.799 114.554 0.111 0.000 2.836 355 T HA -0.192 4.157 4.350 -0.000 0.000 0.268 355 T C 0.842 175.543 174.700 0.002 0.000 1.080 355 T CA 1.444 63.619 62.100 0.126 0.000 1.128 355 T CB -0.423 68.612 68.868 0.279 0.000 0.839 355 T HN 0.291 nan 8.240 nan 0.000 0.507 356 H N -1.324 117.740 119.070 -0.010 0.000 2.549 356 H HA 0.496 5.052 4.556 -0.001 0.000 0.253 356 H C 1.619 176.918 175.328 -0.048 0.000 1.170 356 H CA 0.245 56.264 56.048 -0.047 0.000 0.943 356 H CB 0.407 30.155 29.762 -0.024 0.000 1.849 356 H HN 0.331 nan 8.280 nan 0.000 0.603 357 A N 0.891 123.722 122.820 0.018 0.000 2.015 357 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 357 A C 2.326 179.891 177.584 -0.032 0.000 1.163 357 A CA 1.613 53.649 52.037 -0.001 0.000 0.646 357 A CB -0.198 18.799 19.000 -0.004 0.000 0.806 357 A HN 0.400 nan 8.150 nan 0.000 0.448 358 S N -0.813 114.841 115.700 -0.077 0.000 2.522 358 S HA 0.146 4.616 4.470 -0.000 0.000 0.227 358 S C 0.470 175.019 174.600 -0.085 0.000 0.986 358 S CA 0.300 58.444 58.200 -0.093 0.000 0.929 358 S CB -0.604 62.509 63.200 -0.146 0.000 0.769 358 S HN 0.142 nan 8.310 nan 0.000 0.529 359 V N 3.088 122.962 119.914 -0.066 0.000 2.498 359 V HA 0.287 4.407 4.120 -0.000 0.000 0.279 359 V C 0.493 176.562 176.094 -0.042 0.000 1.048 359 V CA -0.878 61.391 62.300 -0.050 0.000 0.967 359 V CB 0.876 32.703 31.823 0.008 0.000 0.988 359 V HN 0.422 nan 8.190 nan 0.000 0.473 360 L N 4.231 125.417 121.223 -0.062 0.000 2.543 360 L HA 0.053 4.392 4.340 -0.000 0.000 0.285 360 L C 1.994 178.842 176.870 -0.035 0.000 1.236 360 L CA 0.131 54.941 54.840 -0.049 0.000 0.871 360 L CB 0.075 42.098 42.059 -0.060 0.000 1.121 360 L HN 0.715 nan 8.230 nan 0.000 0.501 361 K N 2.442 122.828 120.400 -0.024 0.000 2.015 361 K HA -0.228 4.091 4.320 -0.000 0.000 0.216 361 K C 1.519 178.108 176.600 -0.018 0.000 1.052 361 K CA 2.183 58.461 56.287 -0.015 0.000 0.937 361 K CB -0.093 32.401 32.500 -0.010 0.000 0.719 361 K HN 0.623 nan 8.250 nan 0.000 0.446 362 N N 1.569 120.255 118.700 -0.023 0.000 2.205 362 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 362 N C 1.327 176.816 175.510 -0.035 0.000 1.015 362 N CA 1.394 54.429 53.050 -0.025 0.000 0.862 362 N CB -0.467 38.005 38.487 -0.025 0.000 0.986 362 N HN 0.253 nan 8.380 nan 0.000 0.429 363 D N 0.491 120.859 120.400 -0.054 0.000 2.104 363 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 363 D C 2.021 178.294 176.300 -0.044 0.000 0.994 363 D CA 1.011 54.966 54.000 -0.075 0.000 0.830 363 D CB -0.156 40.572 40.800 -0.120 0.000 0.959 363 D HN 0.318 nan 8.370 nan 0.000 0.452 364 R N 0.676 121.160 120.500 -0.027 0.000 2.081 364 R HA -0.085 4.254 4.340 -0.000 0.000 0.235 364 R C 1.794 178.095 176.300 0.001 0.000 1.131 364 R CA 1.298 57.392 56.100 -0.010 0.000 0.960 364 R CB -0.244 30.056 30.300 -0.001 0.000 0.856 364 R HN 0.196 nan 8.270 nan 0.000 0.436 365 D N 0.567 120.967 120.400 0.000 0.000 2.092 365 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 365 D C 2.044 178.348 176.300 0.007 0.000 0.994 365 D CA 1.202 55.206 54.000 0.007 0.000 0.828 365 D CB -0.554 40.247 40.800 0.002 0.000 0.963 365 D HN -0.004 nan 8.370 nan 0.000 0.450 366 V N 1.073 120.985 119.914 -0.002 0.000 2.332 366 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 366 V C 2.514 178.612 176.094 0.008 0.000 1.055 366 V CA 1.249 63.548 62.300 -0.001 0.000 1.038 366 V CB -0.413 31.405 31.823 -0.009 0.000 0.651 366 V HN 0.213 nan 8.190 nan 0.000 0.450 367 L N -0.266 120.961 121.223 0.007 0.000 2.395 367 L HA 0.168 4.508 4.340 -0.000 0.000 0.218 367 L C 1.841 178.737 176.870 0.043 0.000 1.130 367 L CA 0.985 55.836 54.840 0.018 0.000 0.826 367 L CB -0.535 41.526 42.059 0.003 0.000 0.941 367 L HN 0.571 nan 8.230 nan 0.000 0.451 368 G N 0.565 109.399 108.800 0.056 0.000 2.157 368 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 368 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 368 G C 0.306 175.300 174.900 0.157 0.000 0.979 368 G CA -0.254 44.921 45.100 0.125 0.000 0.650 368 G HN 0.299 nan 8.290 nan 0.000 0.529 369 I N 3.238 123.839 120.570 0.052 0.000 2.352 369 I HA 0.280 4.450 4.170 -0.000 0.000 0.303 369 I C 1.286 177.418 176.117 0.025 0.000 1.194 369 I CA 0.449 61.746 61.300 -0.004 0.000 1.518 369 I CB -0.120 37.849 38.000 -0.052 0.000 1.489 369 I HN 0.371 nan 8.210 nan 0.000 0.702 370 S N 2.272 118.016 115.700 0.073 0.000 2.738 370 S HA 0.261 4.731 4.470 -0.000 0.000 0.284 370 S C 0.920 175.538 174.600 0.029 0.000 1.146 370 S CA -0.836 57.409 58.200 0.076 0.000 0.997 370 S CB 1.364 64.652 63.200 0.148 0.000 1.081 370 S HN 0.465 nan 8.310 nan 0.000 0.553 371 D N 0.437 120.857 120.400 0.034 0.000 2.322 371 D HA -0.063 4.576 4.640 -0.000 0.000 0.210 371 D C 1.114 177.416 176.300 0.003 0.000 0.983 371 D CA 1.392 55.403 54.000 0.018 0.000 0.902 371 D CB -0.283 40.535 40.800 0.031 0.000 0.905 371 D HN 0.608 nan 8.370 nan 0.000 0.483 372 T N -0.367 114.198 114.554 0.018 0.000 3.040 372 T HA 0.185 4.535 4.350 -0.000 0.000 0.266 372 T C 0.403 175.000 174.700 -0.171 0.000 1.005 372 T CA -0.360 61.742 62.100 0.004 0.000 0.906 372 T CB 0.397 69.335 68.868 0.117 0.000 1.082 372 T HN -0.001 nan 8.240 nan 0.000 0.531 373 L N 2.126 123.172 121.223 -0.295 0.000 2.290 373 L HA 0.612 4.951 4.340 -0.000 0.000 0.284 373 L C -1.140 175.449 176.870 -0.470 0.000 1.078 373 L CA -0.446 54.022 54.840 -0.620 0.000 0.815 373 L CB 0.609 42.295 42.059 -0.622 0.000 1.162 373 L HN 0.096 nan 8.230 nan 0.000 0.435 374 I N 5.362 125.541 120.570 -0.651 0.000 2.433 374 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 374 I C -0.311 175.647 176.117 -0.266 0.000 1.001 374 I CA -0.537 60.472 61.300 -0.486 0.000 1.119 374 I CB 1.784 39.307 38.000 -0.796 0.000 1.289 374 I HN 0.575 nan 8.210 nan 0.000 0.438 375 R N 7.279 127.752 120.500 -0.044 0.000 2.295 375 R HA 0.649 4.989 4.340 -0.000 0.000 0.324 375 R C -1.649 174.757 176.300 0.177 0.000 0.968 375 R CA -0.495 55.658 56.100 0.089 0.000 0.837 375 R CB 0.799 31.162 30.300 0.104 0.000 1.133 375 R HN 0.616 nan 8.270 nan 0.000 0.450 376 L N 2.647 124.017 121.223 0.246 0.000 2.325 376 L HA 0.399 4.739 4.340 -0.000 0.000 0.279 376 L C 0.133 177.156 176.870 0.255 0.000 1.054 376 L CA -0.753 54.262 54.840 0.291 0.000 0.804 376 L CB 1.915 44.168 42.059 0.323 0.000 1.200 376 L HN 0.593 nan 8.230 nan 0.000 0.436 377 S N 2.243 118.097 115.700 0.256 0.000 2.520 377 S HA 0.474 4.944 4.470 -0.000 0.000 0.324 377 S C -0.524 174.207 174.600 0.219 0.000 1.069 377 S CA -0.610 57.677 58.200 0.145 0.000 1.121 377 S CB 0.662 63.868 63.200 0.010 0.000 0.971 377 S HN 0.307 nan 8.310 nan 0.000 0.463 378 V N 5.578 125.646 119.914 0.256 0.000 2.498 378 V HA 0.563 4.683 4.120 -0.000 0.000 0.279 378 V C 1.336 177.582 176.094 0.253 0.000 1.048 378 V CA 0.092 62.528 62.300 0.228 0.000 0.967 378 V CB 1.020 32.993 31.823 0.250 0.000 0.988 378 V HN 0.935 nan 8.190 nan 0.000 0.473 379 G N 3.320 112.168 108.800 0.080 0.000 2.773 379 G HA2 0.498 4.458 3.960 -0.000 0.000 0.186 379 G HA3 0.498 4.458 3.960 -0.000 0.000 0.186 379 G C 0.220 175.095 174.900 -0.043 0.000 1.411 379 G CA -0.606 44.562 45.100 0.113 0.000 1.054 379 G HN 0.588 nan 8.290 nan 0.000 0.579 380 L N 0.080 121.252 121.223 -0.085 0.000 2.959 380 L HA 0.298 4.638 4.340 -0.000 0.000 0.259 380 L C 0.165 176.971 176.870 -0.105 0.000 1.185 380 L CA -0.105 54.648 54.840 -0.145 0.000 0.998 380 L CB 0.249 42.210 42.059 -0.164 0.000 1.337 380 L HN 0.330 nan 8.230 nan 0.000 0.555 381 E N 0.350 120.491 120.200 -0.098 0.000 2.410 381 E HA 0.044 4.394 4.350 -0.000 0.000 0.255 381 E C -0.185 176.362 176.600 -0.088 0.000 1.194 381 E CA -0.156 56.187 56.400 -0.096 0.000 0.955 381 E CB 0.441 30.072 29.700 -0.115 0.000 0.988 381 E HN 0.034 nan 8.360 nan 0.000 0.461 382 D N 1.639 121.993 120.400 -0.076 0.000 2.455 382 D HA -0.103 4.536 4.640 -0.000 0.000 0.241 382 D C 0.865 177.126 176.300 -0.064 0.000 1.138 382 D CA 0.351 54.312 54.000 -0.065 0.000 0.877 382 D CB 0.823 41.589 40.800 -0.056 0.000 1.187 382 D HN 0.567 nan 8.370 nan 0.000 0.451 383 E N 2.363 122.529 120.200 -0.058 0.000 2.118 383 E HA -0.233 4.116 4.350 -0.000 0.000 0.195 383 E C 1.379 177.938 176.600 -0.069 0.000 0.992 383 E CA 1.054 57.420 56.400 -0.057 0.000 0.804 383 E CB 0.191 29.860 29.700 -0.050 0.000 0.741 383 E HN 0.502 nan 8.360 nan 0.000 0.458 384 E N -0.103 120.059 120.200 -0.063 0.000 2.110 384 E HA -0.190 4.159 4.350 -0.000 0.000 0.193 384 E C 1.507 178.064 176.600 -0.071 0.000 0.988 384 E CA 1.362 57.722 56.400 -0.067 0.000 0.804 384 E CB 0.144 29.816 29.700 -0.047 0.000 0.745 384 E HN 0.312 nan 8.360 nan 0.000 0.458 385 D N 0.150 120.516 120.400 -0.057 0.000 2.137 385 D HA -0.084 4.555 4.640 -0.000 0.000 0.202 385 D C 2.110 178.392 176.300 -0.029 0.000 0.970 385 D CA 0.540 54.514 54.000 -0.044 0.000 0.837 385 D CB -0.159 40.616 40.800 -0.043 0.000 0.981 385 D HN 0.215 nan 8.370 nan 0.000 0.475 386 L N 0.468 121.672 121.223 -0.031 0.000 2.083 386 L HA -0.119 4.220 4.340 -0.000 0.000 0.209 386 L C 2.483 179.375 176.870 0.037 0.000 1.083 386 L CA 0.737 55.612 54.840 0.058 0.000 0.752 386 L CB -0.333 41.741 42.059 0.025 0.000 0.899 386 L HN 0.045 nan 8.230 nan 0.000 0.433 387 L N -0.954 120.178 121.223 -0.153 0.000 2.131 387 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 387 L C 2.708 179.312 176.870 -0.444 0.000 1.087 387 L CA 0.698 55.252 54.840 -0.477 0.000 0.767 387 L CB -0.503 41.216 42.059 -0.567 0.000 0.917 387 L HN 0.258 nan 8.230 nan 0.000 0.441 388 E N 0.638 120.715 120.200 -0.205 0.000 2.085 388 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 388 E C 1.593 178.177 176.600 -0.027 0.000 0.994 388 E CA 1.722 58.064 56.400 -0.096 0.000 0.801 388 E CB 0.017 29.689 29.700 -0.046 0.000 0.743 388 E HN 0.395 nan 8.360 nan 0.000 0.453 389 D N -0.234 120.172 120.400 0.011 0.000 2.144 389 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 389 D C 2.197 178.533 176.300 0.060 0.000 0.978 389 D CA 0.709 54.748 54.000 0.064 0.000 0.833 389 D CB -0.063 40.828 40.800 0.153 0.000 0.961 389 D HN 0.152 nan 8.370 nan 0.000 0.470 390 L N -0.165 121.092 121.223 0.057 0.000 2.109 390 L HA -0.052 4.287 4.340 -0.000 0.000 0.207 390 L C 2.111 179.159 176.870 0.296 0.000 1.086 390 L CA 0.963 55.893 54.840 0.150 0.000 0.760 390 L CB -0.380 41.752 42.059 0.122 0.000 0.910 390 L HN 0.036 nan 8.230 nan 0.000 0.437 391 D N -0.170 120.367 120.400 0.229 0.000 2.092 391 D HA -0.264 4.376 4.640 -0.000 0.000 0.193 391 D C 2.190 178.663 176.300 0.289 0.000 0.994 391 D CA 1.264 55.501 54.000 0.396 0.000 0.828 391 D CB -0.006 40.969 40.800 0.291 0.000 0.963 391 D HN 0.162 nan 8.370 nan 0.000 0.450 392 Q N 0.290 120.193 119.800 0.172 0.000 2.119 392 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 392 Q C 1.905 177.969 176.000 0.107 0.000 0.972 392 Q CA 1.704 57.579 55.803 0.121 0.000 0.847 392 Q CB -0.352 28.428 28.738 0.069 0.000 0.903 392 Q HN 0.291 nan 8.270 nan 0.000 0.433 393 A N 0.826 123.705 122.820 0.098 0.000 1.929 393 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 393 A C 2.288 180.025 177.584 0.255 0.000 1.176 393 A CA 0.907 52.966 52.037 0.037 0.000 0.628 393 A CB -0.540 18.291 19.000 -0.281 0.000 0.816 393 A HN 0.393 nan 8.150 nan 0.000 0.444 394 L N -0.846 120.622 121.223 0.408 0.000 2.093 394 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 394 L C 2.514 179.470 176.870 0.143 0.000 1.085 394 L CA 1.389 56.472 54.840 0.404 0.000 0.755 394 L CB -0.305 42.057 42.059 0.504 0.000 0.904 394 L HN 0.312 nan 8.230 nan 0.000 0.435 395 K N -0.064 120.445 120.400 0.182 0.000 2.097 395 K HA -0.123 4.196 4.320 -0.000 0.000 0.206 395 K C 2.150 178.747 176.600 -0.005 0.000 1.049 395 K CA 1.311 57.664 56.287 0.110 0.000 0.933 395 K CB -0.186 32.421 32.500 0.179 0.000 0.717 395 K HN 0.282 nan 8.250 nan 0.000 0.442 396 A N 0.766 123.601 122.820 0.025 0.000 2.014 396 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 396 A C 2.094 179.647 177.584 -0.052 0.000 1.163 396 A CA 1.492 53.525 52.037 -0.006 0.000 0.652 396 A CB -0.277 18.726 19.000 0.005 0.000 0.808 396 A HN 0.304 nan 8.150 nan 0.000 0.449 397 A N -2.255 120.529 122.820 -0.059 0.000 2.218 397 A HA 0.210 4.529 4.320 -0.000 0.000 0.209 397 A C 0.651 178.022 177.584 -0.355 0.000 1.168 397 A CA 0.332 52.290 52.037 -0.132 0.000 0.804 397 A CB -0.042 18.956 19.000 -0.003 0.000 0.834 397 A HN 0.457 nan 8.150 nan 0.000 0.482 398 H N -0.578 118.275 119.070 -0.362 0.000 2.733 398 H HA 0.240 4.796 4.556 -0.001 0.000 0.230 398 H C -3.063 171.854 175.328 -0.685 0.000 1.402 398 H CA -1.398 54.212 56.048 -0.729 0.000 1.464 398 H CB 0.694 29.490 29.762 -1.610 0.000 1.877 398 H HN 0.271 nan 8.280 nan 0.000 0.593 399 P HA 0.000 nan 4.420 nan 0.000 0.216 399 P CA 0.000 63.074 63.100 -0.043 0.000 0.800 399 P CB 0.000 31.694 31.700 -0.011 0.000 0.726