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 1qxl_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPAFDKPKVE LHVHLDGAIK PETILYYGKR RGIALPADTP EELLNIIGMD DATA SEQUENCE KPLTLPDFLA KFDYYMPAIA GCRDAIKRIA YEFVEMKAKD GVVYVEVRYS DATA SEQUENCE PHLLANSKVE PIPWNQAEGD LTPDEVVSLV NQGLQEGERD FGVKVRSILC DATA SEQUENCE CMRHQPSWSS EVVELCKKYR EQTVVAIDLA GDETIEGSSL FPGHVQAYAE DATA SEQUENCE AVKSGVHRTV HAGEVGSANV VKEAVDTLKT ERLGHGYHTL EDTTLYNRLR DATA SEQUENCE QENMHFEICP WSSYLTGAWK PDTEHAVIRF KNDQVNYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEDEKKEL LDLLYKAYR 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.686 174.700 -0.023 0.000 1.109 4 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 4 T CB 0.000 68.864 68.868 -0.008 0.000 0.612 5 P HA 0.685 nan 4.420 nan 0.000 0.280 5 P C 0.607 177.898 177.300 -0.014 0.000 1.244 5 P CA -0.057 63.014 63.100 -0.048 0.000 0.784 5 P CB 0.867 32.519 31.700 -0.079 0.000 0.913 6 A N 2.584 125.405 122.820 0.001 0.000 2.014 6 A HA -0.017 4.302 4.320 -0.000 0.000 0.218 6 A C 0.516 178.194 177.584 0.157 0.000 1.163 6 A CA 1.032 53.126 52.037 0.095 0.000 0.652 6 A CB -0.674 18.418 19.000 0.155 0.000 0.808 6 A HN 0.529 nan 8.150 nan 0.000 0.449 7 F N 1.546 121.374 119.950 -0.204 0.000 2.959 7 F HA 0.359 4.886 4.527 -0.000 0.000 0.379 7 F C -1.573 174.094 175.800 -0.221 0.000 1.215 7 F CA -1.973 55.889 58.000 -0.229 0.000 1.190 7 F CB 0.803 39.514 39.000 -0.482 0.000 1.574 7 F HN 0.185 nan 8.300 nan 0.000 0.575 8 D N 4.439 124.650 120.400 -0.314 0.000 2.468 8 D HA 0.435 5.075 4.640 -0.000 0.000 0.218 8 D C -0.672 175.357 176.300 -0.452 0.000 1.155 8 D CA -0.265 53.534 54.000 -0.336 0.000 0.924 8 D CB 0.791 41.482 40.800 -0.183 0.000 1.029 8 D HN -0.013 nan 8.370 nan 0.000 0.515 9 K N 2.138 122.187 120.400 -0.585 0.000 2.578 9 K HA 0.368 4.688 4.320 -0.000 0.000 0.269 9 K C -2.956 173.518 176.600 -0.210 0.000 0.941 9 K CA -1.857 54.120 56.287 -0.516 0.000 0.847 9 K CB 1.581 33.356 32.500 -1.207 0.000 1.397 9 K HN 0.129 nan 8.250 nan 0.000 0.422 10 P HA 0.264 nan 4.420 nan 0.000 0.270 10 P C -0.898 176.531 177.300 0.215 0.000 1.223 10 P CA -0.184 62.939 63.100 0.038 0.000 0.785 10 P CB 0.634 32.319 31.700 -0.026 0.000 0.923 11 K N -0.039 120.449 120.400 0.147 0.000 2.512 11 K HA 0.598 4.917 4.320 -0.000 0.000 0.263 11 K C -1.405 175.288 176.600 0.155 0.000 0.966 11 K CA -0.995 55.421 56.287 0.215 0.000 0.851 11 K CB 2.115 34.692 32.500 0.127 0.000 1.395 11 K HN 0.043 nan 8.250 nan 0.000 0.440 12 V N 1.130 121.158 119.914 0.190 0.000 2.459 12 V HA 0.397 4.516 4.120 -0.000 0.000 0.295 12 V C -0.646 175.551 176.094 0.171 0.000 1.029 12 V CA -0.653 61.754 62.300 0.179 0.000 0.874 12 V CB 1.490 33.422 31.823 0.182 0.000 0.985 12 V HN 0.763 nan 8.190 nan 0.000 0.438 13 E N 3.153 123.430 120.200 0.129 0.000 2.224 13 E HA 0.536 4.885 4.350 -0.000 0.000 0.265 13 E C -0.429 176.221 176.600 0.083 0.000 0.878 13 E CA -0.558 55.921 56.400 0.133 0.000 0.759 13 E CB 1.907 31.690 29.700 0.139 0.000 1.164 13 E HN 0.666 nan 8.360 nan 0.000 0.414 14 L N 2.975 124.266 121.223 0.113 0.000 2.701 14 L HA 0.288 4.628 4.340 -0.000 0.000 0.238 14 L C 0.281 177.200 176.870 0.082 0.000 1.106 14 L CA -0.053 54.816 54.840 0.048 0.000 0.898 14 L CB 0.381 42.441 42.059 0.001 0.000 1.188 14 L HN 0.556 nan 8.230 nan 0.000 0.508 15 H N 1.008 120.105 119.070 0.045 0.000 2.917 15 H HA 0.547 5.103 4.556 -0.000 0.000 0.279 15 H C -1.569 173.818 175.328 0.098 0.000 1.211 15 H CA -0.490 55.569 56.048 0.018 0.000 1.534 15 H CB 0.956 30.708 29.762 -0.016 0.000 1.581 15 H HN -0.143 nan 8.280 nan 0.000 0.510 16 V N 1.985 121.977 119.914 0.129 0.000 2.789 16 V HA 0.238 4.358 4.120 -0.000 0.000 0.300 16 V C -0.535 175.601 176.094 0.069 0.000 1.184 16 V CA -1.000 61.458 62.300 0.262 0.000 0.930 16 V CB 1.582 33.607 31.823 0.337 0.000 1.041 16 V HN 0.720 nan 8.190 nan 0.000 0.430 17 H N 4.042 123.256 119.070 0.240 0.000 2.668 17 H HA 0.293 4.849 4.556 -0.000 0.000 0.303 17 H C 0.791 176.184 175.328 0.108 0.000 1.074 17 H CA -0.366 55.791 56.048 0.181 0.000 1.406 17 H CB 2.441 32.372 29.762 0.281 0.000 1.442 17 H HN 0.689 nan 8.280 nan 0.000 0.482 18 L N 3.841 125.098 121.223 0.057 0.000 2.051 18 L HA -0.235 4.105 4.340 -0.000 0.000 0.214 18 L C 1.758 178.691 176.870 0.105 0.000 1.076 18 L CA 2.014 56.796 54.840 -0.097 0.000 0.758 18 L CB -0.462 41.459 42.059 -0.229 0.000 0.890 18 L HN 0.705 nan 8.230 nan 0.000 0.433 19 D N -1.812 118.721 120.400 0.221 0.000 2.349 19 D HA 0.037 4.676 4.640 -0.000 0.000 0.224 19 D C 1.496 178.083 176.300 0.478 0.000 1.029 19 D CA 0.854 55.038 54.000 0.305 0.000 0.879 19 D CB -0.525 40.438 40.800 0.271 0.000 0.906 19 D HN 0.406 nan 8.370 nan 0.000 0.528 20 G N -0.670 108.371 108.800 0.401 0.000 3.993 20 G HA2 0.462 4.422 3.960 -0.000 0.000 0.294 20 G HA3 0.462 4.422 3.960 -0.000 0.000 0.294 20 G C 0.136 175.152 174.900 0.192 0.000 1.043 20 G CA -0.132 45.154 45.100 0.310 0.000 0.839 20 G HN 0.372 nan 8.290 nan 0.000 0.516 21 A N 1.054 124.002 122.820 0.212 0.000 3.355 21 A HA 0.685 5.004 4.320 -0.000 0.000 0.290 21 A C -0.523 177.168 177.584 0.180 0.000 0.973 21 A CA -0.288 51.886 52.037 0.227 0.000 0.933 21 A CB 0.008 19.262 19.000 0.423 0.000 1.138 21 A HN 0.218 nan 8.150 nan 0.000 0.490 22 I N 1.359 121.963 120.570 0.057 0.000 2.509 22 I HA 0.325 4.495 4.170 -0.000 0.000 0.293 22 I C -0.466 175.632 176.117 -0.032 0.000 1.020 22 I CA -1.120 60.197 61.300 0.028 0.000 1.088 22 I CB 2.202 40.210 38.000 0.014 0.000 1.267 22 I HN 0.238 nan 8.210 nan 0.000 0.430 23 K N 6.130 126.531 120.400 0.001 0.000 2.298 23 K HA 0.224 4.543 4.320 -0.000 0.000 0.280 23 K C -1.895 174.682 176.600 -0.039 0.000 1.032 23 K CA -1.722 54.552 56.287 -0.022 0.000 0.958 23 K CB 0.735 33.232 32.500 -0.006 0.000 0.978 23 K HN 0.216 nan 8.250 nan 0.000 0.472 24 P HA -0.216 nan 4.420 nan 0.000 0.215 24 P C 0.811 178.099 177.300 -0.020 0.000 1.163 24 P CA 1.451 64.511 63.100 -0.067 0.000 0.894 24 P CB 0.292 31.955 31.700 -0.062 0.000 0.791 25 E N -1.156 119.039 120.200 -0.008 0.000 2.147 25 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 25 E C 1.926 178.561 176.600 0.059 0.000 1.005 25 E CA 2.161 58.570 56.400 0.015 0.000 0.810 25 E CB -1.097 28.603 29.700 -0.000 0.000 0.736 25 E HN 0.401 nan 8.360 nan 0.000 0.460 26 T N -2.170 112.426 114.554 0.071 0.000 3.081 26 T HA 0.114 4.463 4.350 -0.000 0.000 0.250 26 T C 1.682 176.545 174.700 0.272 0.000 1.100 26 T CA 0.074 62.273 62.100 0.164 0.000 1.038 26 T CB -0.160 68.811 68.868 0.172 0.000 0.962 26 T HN 0.066 nan 8.240 nan 0.000 0.516 27 I N 0.652 121.316 120.570 0.156 0.000 2.333 27 I HA 0.029 4.198 4.170 -0.000 0.000 0.246 27 I C 2.447 178.646 176.117 0.137 0.000 1.106 27 I CA 0.805 62.203 61.300 0.163 0.000 1.411 27 I CB -0.295 37.748 38.000 0.072 0.000 1.082 27 I HN 0.205 nan 8.210 nan 0.000 0.420 28 L N -0.272 121.001 121.223 0.083 0.000 2.012 28 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 28 L C 2.735 179.632 176.870 0.045 0.000 1.073 28 L CA 1.764 56.634 54.840 0.049 0.000 0.748 28 L CB -0.831 41.244 42.059 0.026 0.000 0.891 28 L HN 0.261 nan 8.230 nan 0.000 0.431 29 Y N -0.164 120.104 120.300 -0.053 0.000 2.139 29 Y HA -0.353 4.196 4.550 -0.000 0.000 0.282 29 Y C 2.258 178.021 175.900 -0.229 0.000 1.179 29 Y CA 2.015 60.015 58.100 -0.166 0.000 1.161 29 Y CB -0.281 38.032 38.460 -0.245 0.000 0.970 29 Y HN 0.091 nan 8.280 nan 0.000 0.511 30 Y N -1.349 118.988 120.300 0.061 0.000 2.503 30 Y HA 0.150 4.699 4.550 -0.000 0.000 0.278 30 Y C 2.456 178.318 175.900 -0.064 0.000 1.111 30 Y CA 0.547 58.627 58.100 -0.034 0.000 1.270 30 Y CB -0.625 37.886 38.460 0.085 0.000 1.063 30 Y HN 0.113 nan 8.280 nan 0.000 0.548 31 G N 0.501 109.357 108.800 0.093 0.000 2.414 31 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 31 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 31 G C 1.772 176.658 174.900 -0.025 0.000 1.188 31 G CA 0.673 45.796 45.100 0.038 0.000 0.783 31 G HN 0.140 nan 8.290 nan 0.000 0.537 32 K N 0.704 121.058 120.400 -0.075 0.000 2.015 32 K HA -0.190 4.130 4.320 -0.000 0.000 0.216 32 K C 2.400 178.896 176.600 -0.173 0.000 1.052 32 K CA 1.649 57.860 56.287 -0.127 0.000 0.937 32 K CB -0.297 32.103 32.500 -0.165 0.000 0.719 32 K HN 0.445 nan 8.250 nan 0.000 0.446 33 R N 1.199 121.521 120.500 -0.297 0.000 2.328 33 R HA 0.015 4.355 4.340 -0.000 0.000 0.206 33 R C 0.924 177.171 176.300 -0.088 0.000 0.990 33 R CA 0.743 56.696 56.100 -0.245 0.000 1.085 33 R CB 0.077 30.133 30.300 -0.406 0.000 0.998 33 R HN 0.122 nan 8.270 nan 0.000 0.484 34 R N -1.459 119.020 120.500 -0.035 0.000 2.539 34 R HA 0.265 4.604 4.340 -0.000 0.000 0.342 34 R C 0.603 176.910 176.300 0.011 0.000 0.941 34 R CA 0.221 56.327 56.100 0.010 0.000 1.146 34 R CB 1.534 31.868 30.300 0.056 0.000 1.541 34 R HN 0.350 nan 8.270 nan 0.000 0.525 35 G N 1.336 110.136 108.800 -0.001 0.000 2.339 35 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.209 35 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.209 35 G C 0.799 175.708 174.900 0.015 0.000 1.015 35 G CA 0.011 45.115 45.100 0.007 0.000 0.635 35 G HN 0.096 nan 8.290 nan 0.000 0.499 36 I N 2.550 123.134 120.570 0.024 0.000 2.394 36 I HA 0.412 4.582 4.170 -0.000 0.000 0.251 36 I C 1.942 178.076 176.117 0.029 0.000 1.136 36 I CA 1.632 62.953 61.300 0.035 0.000 1.425 36 I CB -0.286 37.741 38.000 0.045 0.000 1.079 36 I HN 1.569 nan 8.210 nan 0.000 0.425 37 A N 1.069 123.898 122.820 0.014 0.000 1.597 37 A HA -0.140 4.180 4.320 -0.000 0.000 0.206 37 A C 0.240 177.822 177.584 -0.002 0.000 1.281 37 A CA -0.158 51.879 52.037 0.001 0.000 0.662 37 A CB -1.699 17.301 19.000 -0.001 0.000 1.153 37 A HN 0.165 nan 8.150 nan 0.000 0.200 38 L N 4.259 125.468 121.223 -0.023 0.000 2.473 38 L HA 0.249 4.588 4.340 -0.000 0.000 0.265 38 L C -0.497 176.291 176.870 -0.137 0.000 1.243 38 L CA -0.634 54.163 54.840 -0.071 0.000 0.822 38 L CB -0.807 41.208 42.059 -0.074 0.000 1.101 38 L HN 0.657 nan 8.230 nan 0.000 0.507 39 P HA 0.198 nan 4.420 nan 0.000 0.271 39 P C -0.540 176.640 177.300 -0.201 0.000 1.535 39 P CA 0.298 63.222 63.100 -0.293 0.000 0.820 39 P CB 0.219 31.537 31.700 -0.636 0.000 1.606 40 A N -0.342 122.395 122.820 -0.138 0.000 2.586 40 A HA 0.198 4.518 4.320 -0.000 0.000 0.303 40 A C -0.916 176.623 177.584 -0.074 0.000 0.915 40 A CA -0.518 51.461 52.037 -0.096 0.000 0.626 40 A CB -0.383 18.556 19.000 -0.101 0.000 1.331 40 A HN 0.064 nan 8.150 nan 0.000 0.424 41 D N 0.617 120.986 120.400 -0.052 0.000 2.594 41 D HA 0.203 4.842 4.640 -0.000 0.000 0.256 41 D C 0.216 176.499 176.300 -0.029 0.000 1.393 41 D CA 1.043 55.019 54.000 -0.039 0.000 0.797 41 D CB 0.622 41.401 40.800 -0.035 0.000 1.110 41 D HN 0.921 nan 8.370 nan 0.000 0.495 42 T N -2.138 112.399 114.554 -0.030 0.000 2.902 42 T HA 0.394 4.744 4.350 -0.000 0.000 0.283 42 T C -1.872 172.812 174.700 -0.027 0.000 1.009 42 T CA -1.617 60.469 62.100 -0.023 0.000 1.051 42 T CB 2.350 71.206 68.868 -0.020 0.000 0.999 42 T HN -0.324 nan 8.240 nan 0.000 0.474 43 P HA -0.220 nan 4.420 nan 0.000 0.216 43 P C 1.379 178.661 177.300 -0.030 0.000 1.167 43 P CA 1.572 64.659 63.100 -0.023 0.000 0.914 43 P CB 0.044 31.734 31.700 -0.015 0.000 0.793 44 E N -0.219 119.968 120.200 -0.023 0.000 2.082 44 E HA -0.289 4.061 4.350 -0.000 0.000 0.215 44 E C 2.089 178.675 176.600 -0.024 0.000 1.048 44 E CA 1.926 58.314 56.400 -0.021 0.000 0.869 44 E CB -0.770 28.920 29.700 -0.016 0.000 0.773 44 E HN 0.566 nan 8.360 nan 0.000 0.466 45 E N 0.910 121.092 120.200 -0.029 0.000 2.299 45 E HA -0.125 4.224 4.350 -0.000 0.000 0.193 45 E C 2.152 178.724 176.600 -0.047 0.000 0.998 45 E CA 0.253 56.634 56.400 -0.032 0.000 0.851 45 E CB -0.037 29.646 29.700 -0.029 0.000 0.795 45 E HN 0.174 nan 8.360 nan 0.000 0.492 46 L N 1.441 122.628 121.223 -0.060 0.000 2.012 46 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 46 L C 2.354 179.180 176.870 -0.074 0.000 1.073 46 L CA 1.500 56.290 54.840 -0.082 0.000 0.748 46 L CB -0.584 41.426 42.059 -0.080 0.000 0.891 46 L HN 0.333 nan 8.230 nan 0.000 0.431 47 L N -0.266 120.923 121.223 -0.057 0.000 2.012 47 L HA -0.268 4.071 4.340 -0.000 0.000 0.210 47 L C 2.182 179.040 176.870 -0.021 0.000 1.073 47 L CA 2.124 56.934 54.840 -0.050 0.000 0.748 47 L CB -0.859 41.179 42.059 -0.035 0.000 0.891 47 L HN 0.525 nan 8.230 nan 0.000 0.431 48 N N 0.543 119.239 118.700 -0.007 0.000 2.205 48 N HA -0.230 4.510 4.740 -0.000 0.000 0.186 48 N C 1.826 177.351 175.510 0.025 0.000 1.015 48 N CA 2.079 55.139 53.050 0.017 0.000 0.862 48 N CB -0.237 38.259 38.487 0.015 0.000 0.986 48 N HN 0.657 nan 8.380 nan 0.000 0.429 49 I N -0.331 120.240 120.570 0.002 0.000 2.731 49 I HA 0.050 4.220 4.170 -0.000 0.000 0.260 49 I C 1.937 178.092 176.117 0.063 0.000 1.138 49 I CA 0.422 61.738 61.300 0.027 0.000 1.461 49 I CB -0.148 37.843 38.000 -0.015 0.000 1.128 49 I HN -0.086 nan 8.210 nan 0.000 0.438 50 I N 0.202 120.780 120.570 0.013 0.000 3.550 50 I HA 0.340 4.510 4.170 -0.000 0.000 0.295 50 I C 0.921 177.016 176.117 -0.037 0.000 1.291 50 I CA -0.080 61.234 61.300 0.024 0.000 1.298 50 I CB -1.234 36.759 38.000 -0.012 0.000 1.026 50 I HN 0.218 nan 8.210 nan 0.000 0.491 51 G N 1.216 110.021 108.800 0.009 0.000 2.454 51 G HA2 0.719 4.679 3.960 -0.000 0.000 0.329 51 G HA3 0.719 4.679 3.960 -0.000 0.000 0.329 51 G C -0.939 174.033 174.900 0.119 0.000 1.177 51 G CA -0.882 44.248 45.100 0.049 0.000 0.951 51 G HN 0.083 nan 8.290 nan 0.000 0.485 52 M N 0.775 120.496 119.600 0.202 0.000 2.472 52 M HA 0.296 4.776 4.480 -0.000 0.000 0.331 52 M C -0.004 176.448 176.300 0.253 0.000 1.170 52 M CA -0.743 54.696 55.300 0.232 0.000 1.009 52 M CB 2.276 35.063 32.600 0.313 0.000 1.672 52 M HN 0.617 nan 8.290 nan 0.000 0.453 53 D N 0.627 121.153 120.400 0.211 0.000 2.441 53 D HA 0.130 4.769 4.640 -0.000 0.000 0.210 53 D C -0.376 176.062 176.300 0.230 0.000 1.102 53 D CA 0.194 54.339 54.000 0.242 0.000 0.840 53 D CB 0.456 41.385 40.800 0.215 0.000 0.990 53 D HN 0.550 nan 8.370 nan 0.000 0.505 54 K N 0.200 120.702 120.400 0.170 0.000 2.509 54 K HA 0.599 4.918 4.320 -0.000 0.000 0.266 54 K C -3.268 173.364 176.600 0.054 0.000 0.987 54 K CA -2.031 54.324 56.287 0.114 0.000 0.868 54 K CB 1.343 33.897 32.500 0.090 0.000 1.421 54 K HN -0.340 nan 8.250 nan 0.000 0.444 55 P HA 0.133 nan 4.420 nan 0.000 0.271 55 P C -0.911 176.392 177.300 0.004 0.000 1.216 55 P CA -0.115 62.956 63.100 -0.048 0.000 0.771 55 P CB 0.407 32.017 31.700 -0.150 0.000 0.864 56 L N 0.778 122.029 121.223 0.048 0.000 2.267 56 L HA 0.679 5.018 4.340 -0.000 0.000 0.264 56 L C 1.051 177.951 176.870 0.050 0.000 1.021 56 L CA -0.997 53.881 54.840 0.062 0.000 0.861 56 L CB 0.625 42.755 42.059 0.117 0.000 1.443 56 L HN 0.265 nan 8.230 nan 0.000 0.475 57 T N -2.587 112.002 114.554 0.057 0.000 2.816 57 T HA 0.233 4.583 4.350 -0.000 0.000 0.282 57 T C 1.115 175.874 174.700 0.098 0.000 0.993 57 T CA -0.588 61.543 62.100 0.050 0.000 0.994 57 T CB 0.865 69.757 68.868 0.040 0.000 1.025 57 T HN 0.556 nan 8.240 nan 0.000 0.529 58 L N 0.939 122.206 121.223 0.072 0.000 2.013 58 L HA -0.020 4.319 4.340 -0.000 0.000 0.212 58 L C -0.553 176.426 176.870 0.181 0.000 1.073 58 L CA 1.891 56.807 54.840 0.127 0.000 0.753 58 L CB -1.283 40.815 42.059 0.065 0.000 0.890 58 L HN 0.597 nan 8.230 nan 0.000 0.432 59 P HA -0.098 nan 4.420 nan 0.000 0.219 59 P C 0.673 178.028 177.300 0.091 0.000 1.150 59 P CA 1.253 64.408 63.100 0.091 0.000 0.814 59 P CB -0.069 31.659 31.700 0.048 0.000 0.787 60 D N -1.206 119.252 120.400 0.098 0.000 2.218 60 D HA -0.178 4.462 4.640 -0.000 0.000 0.204 60 D C 1.543 177.924 176.300 0.136 0.000 0.976 60 D CA 0.757 54.811 54.000 0.089 0.000 0.853 60 D CB -1.072 39.779 40.800 0.085 0.000 0.939 60 D HN 0.166 nan 8.370 nan 0.000 0.481 61 F N 1.009 120.993 119.950 0.056 0.000 2.163 61 F HA 0.015 4.542 4.527 -0.000 0.000 0.297 61 F C 1.761 177.638 175.800 0.129 0.000 1.094 61 F CA 0.996 59.048 58.000 0.086 0.000 1.290 61 F CB 0.003 39.084 39.000 0.135 0.000 1.017 61 F HN -0.111 nan 8.300 nan 0.000 0.483 62 L N -0.111 121.248 121.223 0.227 0.000 2.141 62 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 62 L C 2.765 179.700 176.870 0.110 0.000 1.094 62 L CA 0.959 55.941 54.840 0.236 0.000 0.763 62 L CB -1.331 40.868 42.059 0.233 0.000 0.908 62 L HN 0.235 nan 8.230 nan 0.000 0.437 63 A N 0.575 123.379 122.820 -0.027 0.000 1.978 63 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 63 A C 2.306 179.661 177.584 -0.382 0.000 1.170 63 A CA 1.604 53.527 52.037 -0.191 0.000 0.636 63 A CB -0.335 18.545 19.000 -0.201 0.000 0.810 63 A HN 0.363 nan 8.150 nan 0.000 0.448 64 K N -1.052 119.151 120.400 -0.328 0.000 2.044 64 K HA -0.188 4.131 4.320 -0.000 0.000 0.210 64 K C 1.641 178.013 176.600 -0.381 0.000 1.049 64 K CA 1.818 57.900 56.287 -0.343 0.000 0.927 64 K CB -0.520 31.709 32.500 -0.451 0.000 0.713 64 K HN 0.552 nan 8.250 nan 0.000 0.443 65 F N 1.910 121.654 119.950 -0.344 0.000 2.154 65 F HA -0.210 4.316 4.527 -0.000 0.000 0.301 65 F C 1.745 177.037 175.800 -0.847 0.000 1.087 65 F CA 1.251 58.834 58.000 -0.694 0.000 1.274 65 F CB -0.342 38.431 39.000 -0.378 0.000 1.009 65 F HN 0.063 nan 8.300 nan 0.000 0.485 66 D N -1.573 118.667 120.400 -0.267 0.000 2.350 66 D HA -0.139 4.501 4.640 -0.000 0.000 0.216 66 D C 1.623 177.835 176.300 -0.147 0.000 0.968 66 D CA 0.967 54.858 54.000 -0.183 0.000 0.894 66 D CB -0.266 40.484 40.800 -0.083 0.000 0.909 66 D HN 0.388 nan 8.370 nan 0.000 0.520 67 Y N -1.017 119.206 120.300 -0.128 0.000 2.190 67 Y HA -0.127 4.423 4.550 -0.001 0.000 0.290 67 Y C 2.180 178.040 175.900 -0.068 0.000 1.115 67 Y CA 0.557 58.628 58.100 -0.049 0.000 1.107 67 Y CB -0.304 38.169 38.460 0.021 0.000 1.033 67 Y HN 0.069 nan 8.280 nan 0.000 0.502 68 Y N -2.338 117.954 120.300 -0.013 0.000 2.337 68 Y HA -0.069 4.480 4.550 -0.001 0.000 0.293 68 Y C 2.065 177.845 175.900 -0.201 0.000 1.123 68 Y CA 0.276 58.322 58.100 -0.090 0.000 1.201 68 Y CB -0.652 37.761 38.460 -0.079 0.000 1.011 68 Y HN -0.019 nan 8.280 nan 0.000 0.545 69 M N 1.451 120.553 119.600 -0.829 0.000 2.106 69 M HA -0.103 4.376 4.480 -0.000 0.000 0.259 69 M C -0.562 175.402 176.300 -0.559 0.000 1.068 69 M CA 1.557 56.314 55.300 -0.904 0.000 1.100 69 M CB -2.388 29.081 32.600 -1.885 0.000 1.351 69 M HN 0.258 nan 8.290 nan 0.000 0.404 70 P HA -0.018 nan 4.420 nan 0.000 0.223 70 P C 1.075 178.358 177.300 -0.027 0.000 1.151 70 P CA 1.562 64.596 63.100 -0.110 0.000 0.787 70 P CB -0.310 31.392 31.700 0.004 0.000 0.788 71 A N -0.587 122.222 122.820 -0.018 0.000 2.121 71 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 71 A C 2.005 179.607 177.584 0.029 0.000 1.154 71 A CA 1.121 53.186 52.037 0.046 0.000 0.679 71 A CB -0.847 18.210 19.000 0.095 0.000 0.795 71 A HN 0.087 nan 8.150 nan 0.000 0.458 72 I N -1.468 119.078 120.570 -0.040 0.000 3.565 72 I HA 0.188 4.358 4.170 -0.000 0.000 0.287 72 I C 1.454 177.505 176.117 -0.110 0.000 1.193 72 I CA 0.536 61.766 61.300 -0.117 0.000 1.402 72 I CB -1.519 36.439 38.000 -0.070 0.000 1.284 72 I HN 0.211 nan 8.210 nan 0.000 0.454 73 A N 0.948 123.733 122.820 -0.057 0.000 2.520 73 A HA 0.374 4.693 4.320 -0.000 0.000 0.235 73 A C 1.545 179.140 177.584 0.018 0.000 1.065 73 A CA 0.983 53.031 52.037 0.019 0.000 0.764 73 A CB -0.432 18.665 19.000 0.161 0.000 1.002 73 A HN 0.846 nan 8.150 nan 0.000 0.502 74 G N -0.107 108.700 108.800 0.013 0.000 2.189 74 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.267 74 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.267 74 G C 0.420 175.313 174.900 -0.012 0.000 0.975 74 G CA 0.552 45.657 45.100 0.009 0.000 0.644 74 G HN 1.437 nan 8.290 nan 0.000 0.537 75 C N 1.351 120.619 119.300 -0.053 0.000 2.251 75 C HA 0.610 5.069 4.460 -0.000 0.000 0.323 75 C C 2.054 176.994 174.990 -0.083 0.000 1.241 75 C CA -0.504 58.477 59.018 -0.061 0.000 1.601 75 C CB 0.062 27.740 27.740 -0.103 0.000 2.251 75 C HN 0.552 nan 8.230 nan 0.000 0.488 76 R N 1.552 122.029 120.500 -0.037 0.000 2.103 76 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 76 R C 1.654 177.930 176.300 -0.040 0.000 1.142 76 R CA 2.020 58.097 56.100 -0.038 0.000 0.960 76 R CB -0.163 30.130 30.300 -0.012 0.000 0.858 76 R HN 0.735 nan 8.270 nan 0.000 0.439 77 D N 0.314 120.712 120.400 -0.003 0.000 2.157 77 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 77 D C 1.727 177.992 176.300 -0.059 0.000 1.004 77 D CA 1.934 55.962 54.000 0.047 0.000 0.854 77 D CB -0.097 40.827 40.800 0.205 0.000 0.936 77 D HN 0.319 nan 8.370 nan 0.000 0.446 78 A N -0.056 122.558 122.820 -0.343 0.000 1.898 78 A HA -0.053 4.267 4.320 -0.000 0.000 0.214 78 A C 2.155 179.575 177.584 -0.274 0.000 1.183 78 A CA 0.757 52.390 52.037 -0.673 0.000 0.622 78 A CB -0.378 17.994 19.000 -1.045 0.000 0.824 78 A HN 0.203 nan 8.150 nan 0.000 0.444 79 I N 0.484 120.935 120.570 -0.199 0.000 2.118 79 I HA -0.257 3.913 4.170 -0.000 0.000 0.241 79 I C 2.280 178.335 176.117 -0.104 0.000 1.070 79 I CA 1.818 63.032 61.300 -0.143 0.000 1.327 79 I CB -1.380 36.544 38.000 -0.127 0.000 1.034 79 I HN 0.353 nan 8.210 nan 0.000 0.405 80 K N 0.272 120.631 120.400 -0.068 0.000 2.057 80 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 80 K C 2.390 179.013 176.600 0.039 0.000 1.049 80 K CA 1.194 57.470 56.287 -0.017 0.000 0.931 80 K CB -0.063 32.431 32.500 -0.010 0.000 0.714 80 K HN 0.127 nan 8.250 nan 0.000 0.440 81 R N 1.067 121.593 120.500 0.043 0.000 2.096 81 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 81 R C 2.347 178.733 176.300 0.143 0.000 1.127 81 R CA 1.671 57.837 56.100 0.110 0.000 0.968 81 R CB -0.333 30.057 30.300 0.151 0.000 0.861 81 R HN 0.385 nan 8.270 nan 0.000 0.440 82 I N -2.476 118.134 120.570 0.066 0.000 2.439 82 I HA -0.030 4.140 4.170 -0.000 0.000 0.251 82 I C 2.250 178.421 176.117 0.089 0.000 1.139 82 I CA 1.351 62.694 61.300 0.073 0.000 1.438 82 I CB -0.478 37.538 38.000 0.027 0.000 1.085 82 I HN -0.049 nan 8.210 nan 0.000 0.427 83 A N 1.293 124.139 122.820 0.043 0.000 1.851 83 A HA -0.267 4.052 4.320 -0.000 0.000 0.216 83 A C 2.370 180.053 177.584 0.165 0.000 1.195 83 A CA 2.043 54.112 52.037 0.053 0.000 0.622 83 A CB -1.451 17.540 19.000 -0.015 0.000 0.831 83 A HN 0.630 nan 8.150 nan 0.000 0.444 84 Y N 1.011 121.347 120.300 0.061 0.000 2.040 84 Y HA -0.297 4.253 4.550 -0.000 0.000 0.275 84 Y C 2.424 178.326 175.900 0.003 0.000 1.171 84 Y CA 2.580 60.729 58.100 0.081 0.000 1.123 84 Y CB -0.339 38.179 38.460 0.098 0.000 0.963 84 Y HN 0.509 nan 8.280 nan 0.000 0.493 85 E N -0.930 119.357 120.200 0.146 0.000 2.209 85 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 85 E C 1.996 178.528 176.600 -0.114 0.000 0.993 85 E CA 1.185 57.569 56.400 -0.027 0.000 0.819 85 E CB -0.545 29.191 29.700 0.061 0.000 0.745 85 E HN 0.592 nan 8.360 nan 0.000 0.477 86 F N 1.413 121.281 119.950 -0.135 0.000 2.171 86 F HA -0.214 4.313 4.527 -0.001 0.000 0.300 86 F C 2.019 177.679 175.800 -0.232 0.000 1.090 86 F CA 1.106 59.022 58.000 -0.140 0.000 1.293 86 F CB 0.021 38.975 39.000 -0.077 0.000 1.013 86 F HN -0.203 nan 8.300 nan 0.000 0.486 87 V N 1.258 121.006 119.914 -0.276 0.000 2.379 87 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 87 V C 2.247 177.885 176.094 -0.761 0.000 1.044 87 V CA 2.012 64.049 62.300 -0.438 0.000 1.036 87 V CB -1.178 30.506 31.823 -0.231 0.000 0.664 87 V HN 0.492 nan 8.190 nan 0.000 0.453 88 E N 0.469 119.945 120.200 -1.206 0.000 2.153 88 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 88 E C 2.074 178.292 176.600 -0.636 0.000 0.988 88 E CA 1.458 57.103 56.400 -1.257 0.000 0.811 88 E CB -0.602 28.048 29.700 -1.750 0.000 0.746 88 E HN 0.477 nan 8.360 nan 0.000 0.466 89 M N 0.469 119.755 119.600 -0.523 0.000 2.108 89 M HA -0.180 4.300 4.480 -0.000 0.000 0.257 89 M C 1.535 177.594 176.300 -0.402 0.000 1.071 89 M CA 1.589 56.650 55.300 -0.398 0.000 1.093 89 M CB -0.058 32.312 32.600 -0.383 0.000 1.345 89 M HN 0.020 nan 8.290 nan 0.000 0.403 90 K N -0.068 120.007 120.400 -0.541 0.000 2.167 90 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 90 K C 1.982 178.433 176.600 -0.248 0.000 1.052 90 K CA 1.326 57.374 56.287 -0.400 0.000 0.956 90 K CB -1.010 31.228 32.500 -0.436 0.000 0.735 90 K HN 0.317 nan 8.250 nan 0.000 0.451 91 A N 2.306 124.976 122.820 -0.251 0.000 1.917 91 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 91 A C 1.970 179.485 177.584 -0.115 0.000 1.182 91 A CA 1.851 53.808 52.037 -0.134 0.000 0.633 91 A CB -0.423 18.539 19.000 -0.064 0.000 0.819 91 A HN 0.356 nan 8.150 nan 0.000 0.448 92 K N -0.331 119.980 120.400 -0.148 0.000 2.280 92 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 92 K C 0.735 177.266 176.600 -0.115 0.000 1.047 92 K CA 1.183 57.400 56.287 -0.117 0.000 0.942 92 K CB -0.173 32.252 32.500 -0.123 0.000 0.739 92 K HN 0.428 nan 8.250 nan 0.000 0.457 93 D N -0.134 120.186 120.400 -0.133 0.000 2.355 93 D HA -0.007 4.632 4.640 -0.000 0.000 0.218 93 D C 1.115 177.343 176.300 -0.121 0.000 1.004 93 D CA 0.899 54.826 54.000 -0.122 0.000 0.880 93 D CB 0.547 41.278 40.800 -0.114 0.000 0.911 93 D HN 0.421 nan 8.370 nan 0.000 0.528 94 G N 0.656 109.394 108.800 -0.104 0.000 2.141 94 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.242 94 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.242 94 G C 0.421 175.286 174.900 -0.058 0.000 0.982 94 G CA 0.176 45.223 45.100 -0.089 0.000 0.662 94 G HN 0.266 nan 8.290 nan 0.000 0.527 95 V N 0.986 120.864 119.914 -0.059 0.000 2.715 95 V HA 0.321 4.441 4.120 -0.000 0.000 0.299 95 V C 1.904 177.997 176.094 -0.001 0.000 1.054 95 V CA 0.372 62.660 62.300 -0.020 0.000 1.077 95 V CB 1.533 33.332 31.823 -0.039 0.000 0.972 95 V HN 0.782 nan 8.190 nan 0.000 0.484 96 V N 1.501 121.438 119.914 0.040 0.000 3.565 96 V HA 0.313 4.433 4.120 -0.000 0.000 0.260 96 V C 0.108 176.286 176.094 0.141 0.000 1.231 96 V CA 0.305 62.641 62.300 0.061 0.000 1.100 96 V CB -0.639 31.205 31.823 0.036 0.000 0.807 96 V HN 0.738 nan 8.190 nan 0.000 0.454 97 Y N -0.181 120.121 120.300 0.003 0.000 2.399 97 Y HA 0.699 5.248 4.550 -0.000 0.000 0.327 97 Y C -1.384 174.539 175.900 0.039 0.000 1.111 97 Y CA -1.010 57.100 58.100 0.016 0.000 1.047 97 Y CB 1.971 40.428 38.460 -0.005 0.000 1.259 97 Y HN -0.049 nan 8.280 nan 0.000 0.434 98 V N 5.786 125.306 119.914 -0.657 0.000 2.876 98 V HA 0.614 4.734 4.120 -0.000 0.000 0.312 98 V C -1.395 174.332 176.094 -0.611 0.000 1.085 98 V CA -0.502 61.527 62.300 -0.453 0.000 0.945 98 V CB 2.271 34.055 31.823 -0.065 0.000 1.017 98 V HN 0.868 nan 8.190 nan 0.000 0.428 99 E N 3.426 123.427 120.200 -0.332 0.000 2.151 99 E HA 0.586 4.935 4.350 -0.000 0.000 0.275 99 E C -1.347 175.209 176.600 -0.074 0.000 0.936 99 E CA -0.429 55.866 56.400 -0.176 0.000 0.777 99 E CB 2.343 31.987 29.700 -0.093 0.000 1.108 99 E HN 0.520 nan 8.360 nan 0.000 0.401 100 V N 3.933 123.798 119.914 -0.082 0.000 2.604 100 V HA 0.556 4.676 4.120 -0.000 0.000 0.305 100 V C -0.904 175.147 176.094 -0.071 0.000 1.043 100 V CA -0.598 61.613 62.300 -0.149 0.000 0.888 100 V CB 1.530 33.076 31.823 -0.462 0.000 0.995 100 V HN 0.735 nan 8.190 nan 0.000 0.429 101 R N 5.440 125.886 120.500 -0.090 0.000 2.740 101 R HA 0.829 5.169 4.340 -0.000 0.000 0.282 101 R C -1.777 174.595 176.300 0.120 0.000 0.969 101 R CA -0.575 55.491 56.100 -0.055 0.000 0.918 101 R CB 2.035 32.203 30.300 -0.220 0.000 1.175 101 R HN 0.865 nan 8.270 nan 0.000 0.464 102 Y N -2.243 118.055 120.300 -0.003 0.000 2.638 102 Y HA 0.352 4.901 4.550 -0.000 0.000 0.334 102 Y C -1.559 174.390 175.900 0.082 0.000 1.182 102 Y CA -1.153 56.988 58.100 0.069 0.000 1.102 102 Y CB 1.185 39.654 38.460 0.016 0.000 1.343 102 Y HN 0.655 nan 8.280 nan 0.000 0.463 103 S N 3.620 119.398 115.700 0.130 0.000 2.439 103 S HA 0.380 4.850 4.470 -0.000 0.000 0.282 103 S C -1.831 172.861 174.600 0.154 0.000 1.170 103 S CA -1.376 56.880 58.200 0.094 0.000 1.054 103 S CB 0.712 64.033 63.200 0.203 0.000 0.956 103 S HN 0.589 nan 8.310 nan 0.000 0.490 104 P HA -0.054 nan 4.420 nan 0.000 0.217 104 P C 0.647 177.814 177.300 -0.221 0.000 1.151 104 P CA 1.291 64.388 63.100 -0.005 0.000 0.828 104 P CB -0.049 31.558 31.700 -0.155 0.000 0.788 105 H N -0.315 118.578 119.070 -0.296 0.000 2.387 105 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 105 H C 1.898 176.985 175.328 -0.401 0.000 1.099 105 H CA 1.020 56.706 56.048 -0.603 0.000 1.315 105 H CB -1.304 27.575 29.762 -1.471 0.000 1.380 105 H HN 0.055 nan 8.280 nan 0.000 0.513 106 L N 0.026 121.208 121.223 -0.067 0.000 2.456 106 L HA -0.088 4.252 4.340 -0.000 0.000 0.224 106 L C 1.173 178.217 176.870 0.290 0.000 1.148 106 L CA 0.678 55.582 54.840 0.106 0.000 0.825 106 L CB -0.144 42.076 42.059 0.269 0.000 0.937 106 L HN 0.299 nan 8.230 nan 0.000 0.450 107 L N -0.829 120.484 121.223 0.150 0.000 2.640 107 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 107 L C 1.128 178.025 176.870 0.045 0.000 1.123 107 L CA -0.469 54.448 54.840 0.128 0.000 0.900 107 L CB 0.072 42.173 42.059 0.069 0.000 1.146 107 L HN 0.097 nan 8.230 nan 0.000 0.484 108 A N 0.968 123.777 122.820 -0.019 0.000 2.242 108 A HA 0.447 4.767 4.320 -0.000 0.000 0.304 108 A C 0.509 178.087 177.584 -0.011 0.000 1.100 108 A CA -0.155 51.848 52.037 -0.057 0.000 0.860 108 A CB 0.347 19.250 19.000 -0.161 0.000 1.168 108 A HN 0.378 nan 8.150 nan 0.000 0.503 109 N N -1.723 116.967 118.700 -0.017 0.000 2.167 109 N HA 0.159 4.899 4.740 -0.000 0.000 0.234 109 N C -0.697 174.810 175.510 -0.006 0.000 1.312 109 N CA 0.461 53.514 53.050 0.005 0.000 0.861 109 N CB 0.289 38.796 38.487 0.034 0.000 1.217 109 N HN 0.642 nan 8.380 nan 0.000 0.504 110 S N -0.895 114.789 115.700 -0.027 0.000 2.596 110 S HA 0.495 4.964 4.470 -0.000 0.000 0.270 110 S C -0.423 174.155 174.600 -0.036 0.000 1.155 110 S CA -0.955 57.233 58.200 -0.020 0.000 0.827 110 S CB 1.836 65.030 63.200 -0.009 0.000 1.130 110 S HN 0.105 nan 8.310 nan 0.000 0.467 111 K N -0.993 119.397 120.400 -0.017 0.000 3.016 111 K HA -0.147 4.173 4.320 -0.000 0.000 0.262 111 K C -0.736 175.847 176.600 -0.029 0.000 1.043 111 K CA 0.937 57.215 56.287 -0.016 0.000 0.761 111 K CB -1.559 30.928 32.500 -0.021 0.000 1.230 111 K HN 0.743 nan 8.250 nan 0.000 0.485 112 V N 0.387 120.289 119.914 -0.020 0.000 2.623 112 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 112 V C -1.251 174.899 176.094 0.093 0.000 1.054 112 V CA -0.635 61.653 62.300 -0.020 0.000 0.882 112 V CB 1.917 33.642 31.823 -0.163 0.000 1.002 112 V HN 0.165 nan 8.190 nan 0.000 0.424 113 E N 7.345 127.689 120.200 0.241 0.000 2.246 113 E HA 0.498 4.848 4.350 -0.000 0.000 0.266 113 E C -2.591 174.226 176.600 0.363 0.000 0.880 113 E CA -1.527 55.022 56.400 0.249 0.000 0.762 113 E CB 2.709 32.495 29.700 0.143 0.000 1.180 113 E HN 0.633 nan 8.360 nan 0.000 0.416 114 P HA 0.155 nan 4.420 nan 0.000 0.280 114 P C 0.218 177.604 177.300 0.144 0.000 1.278 114 P CA -0.259 62.930 63.100 0.147 0.000 0.787 114 P CB 0.841 32.592 31.700 0.085 0.000 1.163 115 I N 1.346 121.958 120.570 0.070 0.000 2.371 115 I HA 0.159 4.328 4.170 -0.000 0.000 0.290 115 I C -1.642 174.468 176.117 -0.012 0.000 1.028 115 I CA -1.862 59.459 61.300 0.035 0.000 1.345 115 I CB 0.700 38.720 38.000 0.034 0.000 1.407 115 I HN 0.237 nan 8.210 nan 0.000 0.501 116 P HA 0.026 nan 4.420 nan 0.000 0.274 116 P C -0.700 176.446 177.300 -0.257 0.000 1.246 116 P CA -0.067 62.804 63.100 -0.381 0.000 0.795 116 P CB 0.349 31.696 31.700 -0.588 0.000 1.006 117 W N -0.760 120.575 121.300 0.058 0.000 4.141 117 W HA -0.245 4.414 4.660 -0.001 0.000 0.336 117 W C 0.292 176.829 176.519 0.030 0.000 1.258 117 W CA 0.419 57.783 57.345 0.031 0.000 0.747 117 W CB -3.284 26.186 29.460 0.017 0.000 2.338 117 W HN 0.517 nan 8.180 nan 0.000 1.410 118 N N -0.333 118.464 118.700 0.163 0.000 2.675 118 N HA -0.291 4.449 4.740 -0.000 0.000 0.252 118 N C 0.315 175.899 175.510 0.123 0.000 1.008 118 N CA 1.202 54.319 53.050 0.113 0.000 0.779 118 N CB -0.632 37.908 38.487 0.089 0.000 0.954 118 N HN 0.555 nan 8.380 nan 0.000 0.541 119 Q N 0.156 120.049 119.800 0.154 0.000 2.428 119 Q HA 0.292 4.632 4.340 -0.000 0.000 0.276 119 Q C 0.687 176.735 176.000 0.080 0.000 1.059 119 Q CA 0.206 56.083 55.803 0.124 0.000 0.923 119 Q CB 0.474 29.294 28.738 0.138 0.000 1.283 119 Q HN 0.497 nan 8.270 nan 0.000 0.447 120 A N 1.873 124.733 122.820 0.067 0.000 2.448 120 A HA -0.017 4.302 4.320 -0.000 0.000 0.239 120 A C 0.056 177.666 177.584 0.044 0.000 1.080 120 A CA -0.162 51.905 52.037 0.049 0.000 0.779 120 A CB 0.157 19.182 19.000 0.042 0.000 1.026 120 A HN 0.785 nan 8.150 nan 0.000 0.499 121 E N 0.610 120.830 120.200 0.034 0.000 2.351 121 E HA 0.368 4.718 4.350 -0.000 0.000 0.266 121 E C 0.742 177.356 176.600 0.024 0.000 1.031 121 E CA 0.386 56.803 56.400 0.027 0.000 0.911 121 E CB 0.309 30.023 29.700 0.023 0.000 0.986 121 E HN 0.701 nan 8.360 nan 0.000 0.446 122 G N 3.225 112.038 108.800 0.021 0.000 3.310 122 G HA2 0.100 4.060 3.960 -0.000 0.000 0.176 122 G HA3 0.100 4.060 3.960 -0.000 0.000 0.176 122 G C -0.189 174.717 174.900 0.009 0.000 1.307 122 G CA 0.210 45.319 45.100 0.016 0.000 0.935 122 G HN 0.724 nan 8.290 nan 0.000 0.628 123 D N -1.149 119.255 120.400 0.006 0.000 2.556 123 D HA 0.136 4.776 4.640 -0.000 0.000 0.237 123 D C 0.337 176.633 176.300 -0.007 0.000 1.296 123 D CA -0.390 53.610 54.000 0.000 0.000 0.807 123 D CB -0.271 40.531 40.800 0.003 0.000 1.084 123 D HN 0.188 nan 8.370 nan 0.000 0.510 124 L N 2.552 123.769 121.223 -0.010 0.000 2.385 124 L HA 0.233 4.573 4.340 -0.000 0.000 0.281 124 L C 0.382 177.227 176.870 -0.041 0.000 1.106 124 L CA 0.111 54.938 54.840 -0.022 0.000 0.856 124 L CB 0.524 42.569 42.059 -0.022 0.000 1.186 124 L HN 0.137 nan 8.230 nan 0.000 0.453 125 T N 1.333 115.859 114.554 -0.047 0.000 2.902 125 T HA 0.356 4.706 4.350 -0.000 0.000 0.280 125 T C -1.836 172.790 174.700 -0.123 0.000 0.992 125 T CA -1.824 60.230 62.100 -0.077 0.000 1.015 125 T CB 1.580 70.416 68.868 -0.053 0.000 1.044 125 T HN 0.285 nan 8.240 nan 0.000 0.520 126 P HA -0.115 nan 4.420 nan 0.000 0.215 126 P C 1.110 178.305 177.300 -0.175 0.000 1.157 126 P CA 1.459 64.360 63.100 -0.331 0.000 0.874 126 P CB -0.060 31.243 31.700 -0.662 0.000 0.790 127 D N -0.300 120.044 120.400 -0.092 0.000 2.144 127 D HA -0.192 4.447 4.640 -0.000 0.000 0.199 127 D C 1.899 178.230 176.300 0.053 0.000 0.984 127 D CA 1.215 55.237 54.000 0.036 0.000 0.834 127 D CB -0.342 40.512 40.800 0.089 0.000 0.955 127 D HN 0.313 nan 8.370 nan 0.000 0.465 128 E N -0.093 120.115 120.200 0.013 0.000 2.274 128 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 128 E C 2.109 178.685 176.600 -0.041 0.000 0.996 128 E CA 0.690 57.093 56.400 0.006 0.000 0.840 128 E CB -0.176 29.531 29.700 0.012 0.000 0.772 128 E HN 0.180 nan 8.360 nan 0.000 0.491 129 V N 1.955 121.834 119.914 -0.059 0.000 2.324 129 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 129 V C 2.535 178.582 176.094 -0.079 0.000 1.060 129 V CA 1.787 64.048 62.300 -0.066 0.000 1.042 129 V CB -0.469 31.325 31.823 -0.049 0.000 0.650 129 V HN 0.427 nan 8.190 nan 0.000 0.450 130 V N -0.891 118.961 119.914 -0.103 0.000 2.490 130 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 130 V C 2.493 178.340 176.094 -0.410 0.000 1.061 130 V CA 2.674 64.844 62.300 -0.216 0.000 1.064 130 V CB -0.123 31.522 31.823 -0.297 0.000 0.670 130 V HN 0.584 nan 8.190 nan 0.000 0.461 131 S N -0.299 115.174 115.700 -0.377 0.000 2.365 131 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 131 S C 1.791 176.341 174.600 -0.085 0.000 1.039 131 S CA 2.405 60.499 58.200 -0.177 0.000 1.033 131 S CB -0.490 62.717 63.200 0.012 0.000 0.887 131 S HN 0.635 nan 8.310 nan 0.000 0.447 132 L N 0.807 121.985 121.223 -0.076 0.000 2.005 132 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 132 L C 2.488 179.313 176.870 -0.075 0.000 1.072 132 L CA 1.057 55.861 54.840 -0.059 0.000 0.744 132 L CB -0.820 41.205 42.059 -0.057 0.000 0.895 132 L HN 0.156 nan 8.230 nan 0.000 0.433 133 V N 0.204 120.034 119.914 -0.139 0.000 2.282 133 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 133 V C 2.150 178.191 176.094 -0.088 0.000 1.057 133 V CA 2.375 64.567 62.300 -0.180 0.000 1.032 133 V CB -0.921 30.657 31.823 -0.409 0.000 0.645 133 V HN 0.527 nan 8.190 nan 0.000 0.447 134 N N -0.709 117.943 118.700 -0.080 0.000 2.036 134 N HA -0.266 4.473 4.740 -0.000 0.000 0.195 134 N C 2.001 177.523 175.510 0.021 0.000 1.037 134 N CA 1.532 54.565 53.050 -0.028 0.000 0.855 134 N CB -0.199 38.257 38.487 -0.053 0.000 1.033 134 N HN 0.539 nan 8.380 nan 0.000 0.423 135 Q N 0.032 119.842 119.800 0.017 0.000 2.012 135 Q HA -0.190 4.150 4.340 -0.000 0.000 0.211 135 Q C 2.252 178.307 176.000 0.091 0.000 1.009 135 Q CA 1.942 57.774 55.803 0.049 0.000 0.866 135 Q CB -0.463 28.294 28.738 0.033 0.000 0.945 135 Q HN 0.496 nan 8.270 nan 0.000 0.414 136 G N -0.012 108.843 108.800 0.091 0.000 2.471 136 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.219 136 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.219 136 G C 1.267 176.303 174.900 0.227 0.000 1.125 136 G CA 0.246 45.463 45.100 0.195 0.000 0.775 136 G HN 0.169 nan 8.290 nan 0.000 0.548 137 L N 0.216 121.510 121.223 0.119 0.000 2.109 137 L HA 0.050 4.390 4.340 -0.000 0.000 0.207 137 L C 2.950 179.894 176.870 0.124 0.000 1.086 137 L CA 1.489 56.393 54.840 0.107 0.000 0.760 137 L CB -0.618 41.473 42.059 0.054 0.000 0.910 137 L HN 0.286 nan 8.230 nan 0.000 0.437 138 Q N -0.763 119.108 119.800 0.119 0.000 2.123 138 Q HA -0.185 4.154 4.340 -0.000 0.000 0.199 138 Q C 1.832 177.921 176.000 0.148 0.000 0.966 138 Q CA 1.558 57.431 55.803 0.117 0.000 0.845 138 Q CB -0.060 28.735 28.738 0.095 0.000 0.907 138 Q HN 0.657 nan 8.270 nan 0.000 0.439 139 E N -0.225 120.097 120.200 0.204 0.000 2.371 139 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 139 E C 1.832 178.652 176.600 0.367 0.000 1.012 139 E CA 0.823 57.379 56.400 0.261 0.000 0.860 139 E CB -0.076 29.763 29.700 0.232 0.000 0.811 139 E HN 0.292 nan 8.360 nan 0.000 0.502 140 G N 2.266 111.251 108.800 0.308 0.000 2.421 140 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.216 140 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.216 140 G C 1.482 176.516 174.900 0.224 0.000 1.171 140 G CA 0.933 46.120 45.100 0.145 0.000 0.775 140 G HN 0.461 nan 8.290 nan 0.000 0.543 141 E N 0.289 120.579 120.200 0.148 0.000 2.058 141 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 141 E C 2.477 179.130 176.600 0.088 0.000 0.997 141 E CA 1.099 57.570 56.400 0.118 0.000 0.801 141 E CB -0.162 29.598 29.700 0.100 0.000 0.746 141 E HN 0.383 nan 8.360 nan 0.000 0.450 142 R N -0.240 120.304 120.500 0.073 0.000 2.299 142 R HA 0.003 4.343 4.340 -0.000 0.000 0.197 142 R C 0.983 177.256 176.300 -0.045 0.000 0.971 142 R CA 0.918 57.033 56.100 0.026 0.000 1.030 142 R CB 0.286 30.607 30.300 0.036 0.000 0.932 142 R HN 0.252 nan 8.270 nan 0.000 0.477 143 D N -0.904 119.427 120.400 -0.114 0.000 2.301 143 D HA -0.025 4.614 4.640 -0.000 0.000 0.206 143 D C 0.504 176.419 176.300 -0.643 0.000 0.979 143 D CA 0.996 54.744 54.000 -0.419 0.000 0.874 143 D CB 0.237 40.641 40.800 -0.660 0.000 0.968 143 D HN 0.172 nan 8.370 nan 0.000 0.510 144 F N -0.857 119.056 119.950 -0.062 0.000 2.682 144 F HA 0.361 4.888 4.527 -0.000 0.000 0.308 144 F C 1.737 177.501 175.800 -0.061 0.000 1.093 144 F CA -0.031 57.921 58.000 -0.081 0.000 1.244 144 F CB 0.748 39.662 39.000 -0.144 0.000 1.052 144 F HN -0.012 nan 8.300 nan 0.000 0.573 145 G N 0.668 109.514 108.800 0.076 0.000 2.179 145 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 145 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 145 G C -0.139 174.795 174.900 0.056 0.000 0.977 145 G CA 0.147 45.278 45.100 0.052 0.000 0.641 145 G HN 0.165 nan 8.290 nan 0.000 0.533 146 V N 0.970 120.928 119.914 0.073 0.000 2.347 146 V HA 0.523 4.643 4.120 -0.000 0.000 0.280 146 V C 0.524 176.660 176.094 0.070 0.000 1.021 146 V CA -0.711 61.619 62.300 0.050 0.000 0.847 146 V CB 1.583 33.406 31.823 -0.000 0.000 0.990 146 V HN 0.447 nan 8.190 nan 0.000 0.444 147 K N 4.849 125.311 120.400 0.104 0.000 2.379 147 K HA 0.454 4.774 4.320 -0.000 0.000 0.284 147 K C -0.984 175.670 176.600 0.089 0.000 1.044 147 K CA 0.036 56.419 56.287 0.159 0.000 0.974 147 K CB 0.813 33.474 32.500 0.268 0.000 0.962 147 K HN 0.470 nan 8.250 nan 0.000 0.474 148 V N 5.767 125.722 119.914 0.068 0.000 2.588 148 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 148 V C -0.239 175.867 176.094 0.021 0.000 1.042 148 V CA -0.983 61.305 62.300 -0.019 0.000 0.877 148 V CB 1.526 33.381 31.823 0.052 0.000 0.996 148 V HN 0.790 nan 8.190 nan 0.000 0.425 149 R N 1.937 122.398 120.500 -0.064 0.000 2.919 149 R HA 0.832 5.172 4.340 -0.000 0.000 0.260 149 R C -0.462 175.856 176.300 0.029 0.000 1.067 149 R CA -0.598 55.532 56.100 0.050 0.000 1.003 149 R CB 2.366 32.762 30.300 0.159 0.000 1.192 149 R HN 0.857 nan 8.270 nan 0.000 0.488 150 S N -0.072 115.672 115.700 0.073 0.000 2.715 150 S HA 0.730 5.199 4.470 -0.000 0.000 0.307 150 S C -0.119 174.516 174.600 0.058 0.000 1.119 150 S CA -0.858 57.380 58.200 0.065 0.000 0.937 150 S CB 1.526 64.798 63.200 0.120 0.000 1.150 150 S HN 0.466 nan 8.310 nan 0.000 0.521 151 I N 1.294 121.869 120.570 0.008 0.000 2.499 151 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 151 I C -1.569 174.437 176.117 -0.184 0.000 1.048 151 I CA -0.903 60.377 61.300 -0.035 0.000 1.062 151 I CB 1.763 39.769 38.000 0.010 0.000 1.238 151 I HN 0.336 nan 8.210 nan 0.000 0.426 152 L N 5.494 126.597 121.223 -0.199 0.000 2.282 152 L HA 0.385 4.724 4.340 -0.000 0.000 0.288 152 L C -0.261 176.524 176.870 -0.142 0.000 1.033 152 L CA -0.596 54.052 54.840 -0.320 0.000 0.807 152 L CB 1.149 43.046 42.059 -0.271 0.000 1.209 152 L HN 0.654 nan 8.230 nan 0.000 0.423 153 C N 2.717 121.944 119.300 -0.121 0.000 2.325 153 C HA 0.367 4.827 4.460 -0.000 0.000 0.347 153 C C 0.839 175.879 174.990 0.084 0.000 1.263 153 C CA -0.980 58.058 59.018 0.033 0.000 1.806 153 C CB 0.041 27.840 27.740 0.098 0.000 2.405 153 C HN 0.802 nan 8.230 nan 0.000 0.537 154 C N 5.708 125.072 119.300 0.107 0.000 2.662 154 C HA 0.231 4.691 4.460 -0.000 0.000 0.420 154 C C 0.581 175.609 174.990 0.064 0.000 1.314 154 C CA -0.246 58.842 59.018 0.118 0.000 1.963 154 C CB -0.415 27.399 27.740 0.124 0.000 2.686 154 C HN 0.715 nan 8.230 nan 0.000 0.609 155 M N 3.836 123.475 119.600 0.064 0.000 2.129 155 M HA 0.273 4.753 4.480 -0.000 0.000 0.348 155 M C 1.340 177.576 176.300 -0.107 0.000 1.116 155 M CA -0.053 55.222 55.300 -0.042 0.000 1.022 155 M CB 0.856 33.395 32.600 -0.103 0.000 1.599 155 M HN 0.742 nan 8.290 nan 0.000 0.449 156 R N 1.754 122.212 120.500 -0.069 0.000 2.133 156 R HA -0.212 4.128 4.340 -0.000 0.000 0.245 156 R C 1.753 178.240 176.300 0.312 0.000 1.137 156 R CA 2.173 58.296 56.100 0.037 0.000 0.947 156 R CB -0.833 29.470 30.300 0.006 0.000 0.865 156 R HN 0.783 nan 8.270 nan 0.000 0.437 157 H N 0.089 119.218 119.070 0.100 0.000 2.560 157 H HA -0.033 4.522 4.556 -0.000 0.000 0.283 157 H C 0.171 175.432 175.328 -0.111 0.000 1.028 157 H CA 0.792 56.865 56.048 0.042 0.000 1.221 157 H CB 0.086 29.812 29.762 -0.060 0.000 1.363 157 H HN 0.125 nan 8.280 nan 0.000 0.594 158 Q N 1.366 120.859 119.800 -0.512 0.000 3.300 158 Q HA 0.242 4.582 4.340 -0.000 0.000 0.271 158 Q C -2.039 173.715 176.000 -0.411 0.000 0.926 158 Q CA -1.860 53.504 55.803 -0.732 0.000 0.788 158 Q CB 1.425 29.214 28.738 -1.581 0.000 1.385 158 Q HN 0.131 nan 8.270 nan 0.000 0.424 159 P HA -0.196 nan 4.420 nan 0.000 0.221 159 P C 0.872 178.027 177.300 -0.241 0.000 1.145 159 P CA 1.315 64.131 63.100 -0.473 0.000 0.795 159 P CB 0.307 31.640 31.700 -0.612 0.000 0.775 160 S N -2.063 113.474 115.700 -0.272 0.000 2.419 160 S HA -0.127 4.343 4.470 -0.000 0.000 0.233 160 S C 1.668 176.280 174.600 0.021 0.000 1.016 160 S CA 0.453 58.572 58.200 -0.134 0.000 0.974 160 S CB -1.351 61.778 63.200 -0.120 0.000 0.786 160 S HN 0.105 nan 8.310 nan 0.000 0.492 161 W N 2.418 123.597 121.300 -0.201 0.000 2.699 161 W HA 0.321 4.981 4.660 -0.000 0.000 0.249 161 W C 2.326 178.739 176.519 -0.176 0.000 1.280 161 W CA -0.315 56.829 57.345 -0.335 0.000 1.345 161 W CB -1.533 27.480 29.460 -0.746 0.000 1.128 161 W HN 0.345 nan 8.180 nan 0.000 0.642 162 S N 0.365 116.156 115.700 0.153 0.000 2.402 162 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 162 S C 2.073 176.753 174.600 0.134 0.000 1.021 162 S CA 1.687 59.999 58.200 0.186 0.000 0.974 162 S CB -0.553 62.823 63.200 0.294 0.000 0.800 162 S HN 0.340 nan 8.310 nan 0.000 0.484 163 S N 2.446 118.209 115.700 0.105 0.000 2.428 163 S HA -0.143 4.326 4.470 -0.000 0.000 0.230 163 S C 1.713 176.363 174.600 0.083 0.000 1.014 163 S CA 1.059 59.306 58.200 0.078 0.000 0.957 163 S CB -0.445 62.788 63.200 0.055 0.000 0.784 163 S HN 0.795 nan 8.310 nan 0.000 0.499 164 E N 1.049 121.320 120.200 0.120 0.000 2.371 164 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 164 E C 1.941 178.633 176.600 0.153 0.000 1.012 164 E CA 0.701 57.181 56.400 0.134 0.000 0.860 164 E CB -0.464 29.330 29.700 0.158 0.000 0.811 164 E HN 0.362 nan 8.360 nan 0.000 0.502 165 V N 1.204 121.226 119.914 0.180 0.000 2.219 165 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 165 V C 2.214 178.336 176.094 0.046 0.000 1.053 165 V CA 2.158 64.533 62.300 0.126 0.000 1.009 165 V CB -0.222 31.676 31.823 0.125 0.000 0.636 165 V HN 0.333 nan 8.190 nan 0.000 0.445 166 V N 0.407 120.330 119.914 0.015 0.000 2.660 166 V HA -0.198 3.922 4.120 -0.000 0.000 0.257 166 V C 2.625 178.712 176.094 -0.010 0.000 1.088 166 V CA 2.550 64.831 62.300 -0.031 0.000 1.106 166 V CB -0.627 31.160 31.823 -0.061 0.000 0.686 166 V HN 0.726 nan 8.190 nan 0.000 0.481 167 E N -0.874 119.337 120.200 0.018 0.000 2.170 167 E HA -0.044 4.305 4.350 -0.000 0.000 0.191 167 E C 2.115 178.734 176.600 0.032 0.000 0.981 167 E CA 0.445 56.852 56.400 0.012 0.000 0.830 167 E CB -0.143 29.566 29.700 0.015 0.000 0.775 167 E HN 0.394 nan 8.360 nan 0.000 0.470 168 L N 1.055 122.326 121.223 0.079 0.000 2.042 168 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 168 L C 2.502 179.495 176.870 0.205 0.000 1.076 168 L CA 1.259 56.207 54.840 0.180 0.000 0.749 168 L CB -1.505 40.641 42.059 0.145 0.000 0.893 168 L HN 0.191 nan 8.230 nan 0.000 0.432 169 C N -0.545 118.802 119.300 0.079 0.000 2.398 169 C HA -0.231 4.229 4.460 -0.000 0.000 0.276 169 C C 2.726 177.735 174.990 0.032 0.000 1.222 169 C CA 0.811 59.853 59.018 0.040 0.000 1.746 169 C CB -0.917 26.802 27.740 -0.034 0.000 2.039 169 C HN 0.487 nan 8.230 nan 0.000 0.470 170 K N 0.860 121.259 120.400 -0.002 0.000 2.025 170 K HA -0.163 4.156 4.320 -0.000 0.000 0.207 170 K C 2.195 178.767 176.600 -0.047 0.000 1.049 170 K CA 1.346 57.616 56.287 -0.028 0.000 0.933 170 K CB -0.241 32.234 32.500 -0.042 0.000 0.714 170 K HN 0.493 nan 8.250 nan 0.000 0.438 171 K N 0.246 120.594 120.400 -0.086 0.000 2.097 171 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 171 K C 0.857 177.252 176.600 -0.341 0.000 1.049 171 K CA 1.388 57.525 56.287 -0.251 0.000 0.933 171 K CB 0.035 32.307 32.500 -0.379 0.000 0.717 171 K HN 0.122 nan 8.250 nan 0.000 0.442 172 Y N 1.303 121.603 120.300 -0.001 0.000 2.583 172 Y HA 0.226 4.775 4.550 -0.000 0.000 0.294 172 Y C 0.120 176.030 175.900 0.018 0.000 1.170 172 Y CA -0.461 57.646 58.100 0.012 0.000 1.265 172 Y CB -0.030 38.441 38.460 0.019 0.000 1.119 172 Y HN -0.055 nan 8.280 nan 0.000 0.522 173 R N 2.365 122.937 120.500 0.120 0.000 2.538 173 R HA -0.173 4.167 4.340 -0.000 0.000 0.273 173 R C 1.605 177.957 176.300 0.087 0.000 0.967 173 R CA 1.072 57.219 56.100 0.078 0.000 1.101 173 R CB 0.306 30.621 30.300 0.025 0.000 0.908 173 R HN 0.635 nan 8.270 nan 0.000 0.411 174 E N 2.226 122.480 120.200 0.089 0.000 3.578 174 E HA -0.479 3.871 4.350 -0.000 0.000 0.244 174 E C -0.439 176.226 176.600 0.109 0.000 0.965 174 E CA 2.169 58.630 56.400 0.102 0.000 1.198 174 E CB -0.651 29.103 29.700 0.090 0.000 1.408 174 E HN 0.808 nan 8.360 nan 0.000 0.352 175 Q N 1.180 121.048 119.800 0.112 0.000 2.800 175 Q HA 0.060 4.400 4.340 -0.000 0.000 0.261 175 Q C 0.892 176.981 176.000 0.148 0.000 1.093 175 Q CA 1.015 56.895 55.803 0.127 0.000 0.943 175 Q CB -0.298 28.519 28.738 0.131 0.000 1.591 175 Q HN 0.560 nan 8.270 nan 0.000 0.429 176 T N -5.121 109.504 114.554 0.118 0.000 3.043 176 T HA 0.164 4.514 4.350 -0.000 0.000 0.272 176 T C 0.458 175.225 174.700 0.113 0.000 0.990 176 T CA -0.320 61.845 62.100 0.109 0.000 0.897 176 T CB 0.323 69.246 68.868 0.091 0.000 1.111 176 T HN 0.012 nan 8.240 nan 0.000 0.529 177 V N 3.776 123.757 119.914 0.112 0.000 2.446 177 V HA 0.206 4.326 4.120 -0.000 0.000 0.276 177 V C 1.645 177.799 176.094 0.100 0.000 1.030 177 V CA 0.042 62.398 62.300 0.094 0.000 1.033 177 V CB 0.538 32.412 31.823 0.084 0.000 0.993 177 V HN 0.508 nan 8.190 nan 0.000 0.477 178 V N 1.641 121.625 119.914 0.117 0.000 3.645 178 V HA 0.797 4.917 4.120 -0.000 0.000 0.275 178 V C 0.585 176.719 176.094 0.067 0.000 1.356 178 V CA 0.692 63.078 62.300 0.144 0.000 1.051 178 V CB 0.051 32.024 31.823 0.249 0.000 0.828 178 V HN 0.926 nan 8.190 nan 0.000 0.441 179 A N -0.222 122.616 122.820 0.031 0.000 2.599 179 A HA 0.817 5.137 4.320 -0.000 0.000 0.290 179 A C -1.476 176.064 177.584 -0.074 0.000 1.101 179 A CA -0.514 51.471 52.037 -0.088 0.000 0.674 179 A CB 1.833 20.805 19.000 -0.047 0.000 1.277 179 A HN 0.280 nan 8.150 nan 0.000 0.419 180 I N 0.225 120.714 120.570 -0.136 0.000 2.648 180 I HA 0.621 4.791 4.170 -0.000 0.000 0.304 180 I C -1.346 174.773 176.117 0.002 0.000 1.009 180 I CA -0.376 60.845 61.300 -0.131 0.000 1.114 180 I CB 1.920 39.721 38.000 -0.331 0.000 1.293 180 I HN 0.844 nan 8.210 nan 0.000 0.449 181 D N 5.380 125.833 120.400 0.088 0.000 2.552 181 D HA 0.466 5.106 4.640 -0.000 0.000 0.239 181 D C -1.810 174.657 176.300 0.279 0.000 1.139 181 D CA -0.411 53.720 54.000 0.218 0.000 0.914 181 D CB 2.275 43.167 40.800 0.153 0.000 1.461 181 D HN 0.415 nan 8.370 nan 0.000 0.462 182 L N 1.840 123.236 121.223 0.287 0.000 2.372 182 L HA 0.805 5.145 4.340 -0.000 0.000 0.274 182 L C -1.171 175.793 176.870 0.156 0.000 0.988 182 L CA -0.416 54.502 54.840 0.130 0.000 0.833 182 L CB 1.038 43.069 42.059 -0.047 0.000 1.236 182 L HN 0.647 nan 8.230 nan 0.000 0.410 183 A N 2.666 125.511 122.820 0.042 0.000 2.387 183 A HA 0.881 5.201 4.320 -0.000 0.000 0.303 183 A C 0.283 177.814 177.584 -0.088 0.000 1.145 183 A CA -0.024 51.919 52.037 -0.157 0.000 0.801 183 A CB 1.617 20.549 19.000 -0.113 0.000 1.342 183 A HN 1.230 nan 8.150 nan 0.000 0.440 184 G N 0.323 109.055 108.800 -0.113 0.000 2.842 184 G HA2 0.362 4.322 3.960 -0.000 0.000 0.242 184 G HA3 0.362 4.322 3.960 -0.000 0.000 0.242 184 G C -0.300 174.605 174.900 0.008 0.000 1.135 184 G CA 0.728 45.823 45.100 -0.008 0.000 1.048 184 G HN 2.056 nan 8.290 nan 0.000 0.530 185 D N -0.716 119.676 120.400 -0.013 0.000 2.914 185 D HA -0.111 4.529 4.640 -0.000 0.000 0.221 185 D C 1.101 177.384 176.300 -0.028 0.000 1.012 185 D CA 1.188 55.183 54.000 -0.008 0.000 0.857 185 D CB -1.186 39.618 40.800 0.006 0.000 0.972 185 D HN 0.901 nan 8.370 nan 0.000 0.427 186 E N -1.084 119.090 120.200 -0.043 0.000 2.505 186 E HA 0.026 4.376 4.350 -0.000 0.000 0.197 186 E C 1.339 177.893 176.600 -0.077 0.000 1.111 186 E CA 0.630 56.990 56.400 -0.066 0.000 0.887 186 E CB 0.073 29.739 29.700 -0.056 0.000 0.913 186 E HN 0.273 nan 8.360 nan 0.000 0.517 187 T N 1.433 115.950 114.554 -0.061 0.000 3.014 187 T HA 0.052 4.402 4.350 -0.000 0.000 0.263 187 T C 0.995 175.670 174.700 -0.043 0.000 1.078 187 T CA -0.033 62.033 62.100 -0.056 0.000 1.135 187 T CB -0.195 68.647 68.868 -0.043 0.000 0.895 187 T HN 0.365 nan 8.240 nan 0.000 0.480 188 I N 1.632 122.182 120.570 -0.033 0.000 2.587 188 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 188 I C 0.407 176.495 176.117 -0.048 0.000 1.134 188 I CA -0.435 60.861 61.300 -0.007 0.000 1.410 188 I CB 0.143 38.175 38.000 0.055 0.000 1.392 188 I HN 0.126 nan 8.210 nan 0.000 0.545 189 E N 5.829 126.023 120.200 -0.010 0.000 2.820 189 E HA -0.003 4.346 4.350 -0.000 0.000 0.251 189 E C 1.274 177.844 176.600 -0.049 0.000 0.944 189 E CA 1.085 57.473 56.400 -0.019 0.000 0.955 189 E CB 0.081 29.795 29.700 0.024 0.000 0.904 189 E HN 1.089 nan 8.360 nan 0.000 0.513 190 G N 3.178 111.907 108.800 -0.118 0.000 2.205 190 G HA2 -0.411 3.548 3.960 -0.000 0.000 0.261 190 G HA3 -0.411 3.548 3.960 -0.000 0.000 0.261 190 G C 0.976 175.580 174.900 -0.494 0.000 0.980 190 G CA 0.889 45.900 45.100 -0.149 0.000 0.632 190 G HN 0.865 nan 8.290 nan 0.000 0.533 191 S N 0.358 115.599 115.700 -0.765 0.000 2.419 191 S HA -0.067 4.402 4.470 -0.000 0.000 0.235 191 S C 2.244 176.396 174.600 -0.746 0.000 1.019 191 S CA 2.088 59.407 58.200 -1.469 0.000 0.982 191 S CB -0.424 62.295 63.200 -0.801 0.000 0.789 191 S HN 0.907 nan 8.310 nan 0.000 0.490 192 S N 1.462 116.933 115.700 -0.381 0.000 2.447 192 S HA 0.169 4.639 4.470 -0.000 0.000 0.233 192 S C 1.177 175.700 174.600 -0.129 0.000 1.006 192 S CA 0.595 58.666 58.200 -0.215 0.000 0.957 192 S CB -0.265 62.831 63.200 -0.173 0.000 0.773 192 S HN 0.334 nan 8.310 nan 0.000 0.507 193 L N 0.771 121.908 121.223 -0.143 0.000 2.607 193 L HA 0.393 4.732 4.340 -0.000 0.000 0.228 193 L C -0.462 176.471 176.870 0.104 0.000 1.123 193 L CA -0.243 54.586 54.840 -0.019 0.000 0.890 193 L CB -1.125 40.927 42.059 -0.011 0.000 1.103 193 L HN 0.140 nan 8.230 nan 0.000 0.468 194 F N 1.057 121.003 119.950 -0.008 0.000 2.578 194 F HA 0.141 4.667 4.527 -0.000 0.000 0.376 194 F C -0.699 175.031 175.800 -0.116 0.000 1.085 194 F CA -2.448 55.493 58.000 -0.097 0.000 1.260 194 F CB -0.511 38.346 39.000 -0.238 0.000 1.095 194 F HN -0.042 nan 8.300 nan 0.000 0.573 195 P HA -0.210 nan 4.420 nan 0.000 0.217 195 P C 1.786 179.089 177.300 0.005 0.000 1.158 195 P CA 2.436 65.551 63.100 0.025 0.000 0.887 195 P CB 0.054 31.749 31.700 -0.008 0.000 0.792 196 G N -0.663 108.096 108.800 -0.069 0.000 2.681 196 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.220 196 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.220 196 G C 1.194 176.114 174.900 0.033 0.000 1.210 196 G CA 1.759 46.809 45.100 -0.084 0.000 0.783 196 G HN 0.393 nan 8.290 nan 0.000 0.609 197 H N -0.592 118.557 119.070 0.133 0.000 2.357 197 H HA 0.001 4.557 4.556 -0.000 0.000 0.301 197 H C 2.700 178.125 175.328 0.162 0.000 1.082 197 H CA 0.939 57.076 56.048 0.148 0.000 1.342 197 H CB -0.178 29.620 29.762 0.061 0.000 1.389 197 H HN 0.262 nan 8.280 nan 0.000 0.511 198 V N 0.789 120.830 119.914 0.211 0.000 2.287 198 V HA -0.300 3.819 4.120 -0.000 0.000 0.248 198 V C 2.101 178.288 176.094 0.155 0.000 1.053 198 V CA 2.167 64.555 62.300 0.148 0.000 1.027 198 V CB -0.284 31.588 31.823 0.081 0.000 0.646 198 V HN 0.308 nan 8.190 nan 0.000 0.447 199 Q N -0.039 119.832 119.800 0.119 0.000 2.311 199 Q HA 0.178 4.518 4.340 -0.000 0.000 0.203 199 Q C 2.129 178.192 176.000 0.105 0.000 0.954 199 Q CA 1.607 57.466 55.803 0.093 0.000 0.885 199 Q CB -0.557 28.213 28.738 0.053 0.000 0.963 199 Q HN 0.813 nan 8.270 nan 0.000 0.471 200 A N -0.849 122.063 122.820 0.153 0.000 1.902 200 A HA -0.180 4.139 4.320 -0.000 0.000 0.217 200 A C 1.594 179.219 177.584 0.069 0.000 1.181 200 A CA 1.301 53.410 52.037 0.119 0.000 0.623 200 A CB -0.815 18.284 19.000 0.165 0.000 0.818 200 A HN 0.469 nan 8.150 nan 0.000 0.443 201 Y N -0.056 120.270 120.300 0.042 0.000 2.293 201 Y HA -0.031 4.519 4.550 -0.000 0.000 0.291 201 Y C 2.840 178.742 175.900 0.004 0.000 1.137 201 Y CA 0.587 58.698 58.100 0.019 0.000 1.202 201 Y CB -0.475 38.000 38.460 0.026 0.000 0.990 201 Y HN 0.339 nan 8.280 nan 0.000 0.537 202 A N -0.117 122.792 122.820 0.148 0.000 1.902 202 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 202 A C 2.106 179.700 177.584 0.018 0.000 1.181 202 A CA 1.999 54.078 52.037 0.070 0.000 0.623 202 A CB -0.572 18.466 19.000 0.064 0.000 0.818 202 A HN 0.396 nan 8.150 nan 0.000 0.443 203 E N 0.175 120.378 120.200 0.005 0.000 2.106 203 E HA -0.011 4.338 4.350 -0.000 0.000 0.192 203 E C 2.013 178.574 176.600 -0.066 0.000 0.984 203 E CA 1.409 57.793 56.400 -0.026 0.000 0.806 203 E CB -0.480 29.209 29.700 -0.018 0.000 0.750 203 E HN 0.458 nan 8.360 nan 0.000 0.458 204 A N 0.247 123.002 122.820 -0.109 0.000 1.884 204 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 204 A C 2.503 180.004 177.584 -0.139 0.000 1.197 204 A CA 2.088 54.025 52.037 -0.168 0.000 0.637 204 A CB -1.121 17.697 19.000 -0.304 0.000 0.827 204 A HN 0.204 nan 8.150 nan 0.000 0.450 205 V N 0.476 120.339 119.914 -0.086 0.000 2.252 205 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 205 V C 2.643 178.699 176.094 -0.063 0.000 1.056 205 V CA 2.346 64.609 62.300 -0.061 0.000 1.022 205 V CB -0.703 31.113 31.823 -0.012 0.000 0.641 205 V HN 0.520 nan 8.190 nan 0.000 0.445 206 K N 0.797 121.169 120.400 -0.046 0.000 2.113 206 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 206 K C 1.894 178.461 176.600 -0.055 0.000 1.047 206 K CA 2.111 58.374 56.287 -0.041 0.000 0.928 206 K CB -0.354 32.128 32.500 -0.030 0.000 0.716 206 K HN 0.688 nan 8.250 nan 0.000 0.446 207 S N -1.607 114.049 115.700 -0.074 0.000 2.588 207 S HA 0.267 4.737 4.470 -0.000 0.000 0.245 207 S C 0.790 175.324 174.600 -0.111 0.000 1.021 207 S CA 0.256 58.408 58.200 -0.079 0.000 1.006 207 S CB 0.429 63.588 63.200 -0.068 0.000 0.830 207 S HN 0.355 nan 8.310 nan 0.000 0.468 208 G N 1.326 110.041 108.800 -0.141 0.000 2.321 208 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.287 208 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.287 208 G C 0.164 174.884 174.900 -0.299 0.000 1.018 208 G CA 0.397 45.367 45.100 -0.216 0.000 0.855 208 G HN 1.624 nan 8.290 nan 0.000 0.507 209 V N 0.145 119.903 119.914 -0.259 0.000 2.498 209 V HA 0.563 4.682 4.120 -0.000 0.000 0.279 209 V C 0.887 176.743 176.094 -0.397 0.000 1.048 209 V CA -1.333 60.788 62.300 -0.297 0.000 0.967 209 V CB 0.756 32.458 31.823 -0.201 0.000 0.988 209 V HN 0.353 nan 8.190 nan 0.000 0.473 210 H N 5.201 124.028 119.070 -0.405 0.000 2.757 210 H HA 0.436 4.992 4.556 -0.000 0.000 0.370 210 H C -0.079 174.863 175.328 -0.644 0.000 1.172 210 H CA 0.435 56.060 56.048 -0.705 0.000 1.426 210 H CB 0.684 29.541 29.762 -1.508 0.000 1.438 210 H HN 0.679 nan 8.280 nan 0.000 0.612 211 R N 0.665 120.963 120.500 -0.337 0.000 2.561 211 R HA 0.356 4.696 4.340 -0.000 0.000 0.297 211 R C -0.346 176.085 176.300 0.218 0.000 0.969 211 R CA -0.603 55.473 56.100 -0.040 0.000 0.879 211 R CB 2.169 32.545 30.300 0.126 0.000 1.178 211 R HN 0.486 nan 8.270 nan 0.000 0.445 212 T N 1.223 115.957 114.554 0.299 0.000 2.907 212 T HA 0.641 4.991 4.350 -0.000 0.000 0.292 212 T C -1.260 173.605 174.700 0.274 0.000 1.043 212 T CA -0.574 61.710 62.100 0.308 0.000 1.003 212 T CB 1.510 70.567 68.868 0.314 0.000 1.084 212 T HN 0.209 nan 8.240 nan 0.000 0.483 213 V N 3.715 123.735 119.914 0.176 0.000 2.638 213 V HA 0.412 4.532 4.120 -0.000 0.000 0.306 213 V C -0.978 175.215 176.094 0.165 0.000 1.052 213 V CA -0.990 61.396 62.300 0.143 0.000 0.885 213 V CB 1.704 33.534 31.823 0.011 0.000 0.999 213 V HN 0.971 nan 8.190 nan 0.000 0.424 214 H N 2.718 121.870 119.070 0.137 0.000 2.767 214 H HA 0.745 5.301 4.556 -0.000 0.000 0.316 214 H C 0.274 175.667 175.328 0.108 0.000 1.059 214 H CA 0.805 56.974 56.048 0.203 0.000 1.461 214 H CB 1.103 31.030 29.762 0.275 0.000 1.475 214 H HN 1.012 nan 8.280 nan 0.000 0.531 215 A N 1.564 124.505 122.820 0.202 0.000 2.555 215 A HA 0.533 4.852 4.320 -0.000 0.000 0.297 215 A C 0.737 178.374 177.584 0.089 0.000 1.060 215 A CA -0.317 51.780 52.037 0.099 0.000 0.710 215 A CB 0.655 19.681 19.000 0.044 0.000 1.282 215 A HN 1.082 nan 8.150 nan 0.000 0.399 216 G N 0.898 109.735 108.800 0.062 0.000 2.153 216 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.252 216 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.252 216 G C 0.717 175.701 174.900 0.139 0.000 0.994 216 G CA 1.211 46.385 45.100 0.122 0.000 0.698 216 G HN 1.172 nan 8.290 nan 0.000 0.521 217 E N -1.081 119.104 120.200 -0.026 0.000 2.028 217 E HA 0.109 4.459 4.350 -0.000 0.000 0.190 217 E C 1.921 178.566 176.600 0.076 0.000 0.984 217 E CA 1.549 57.856 56.400 -0.155 0.000 0.800 217 E CB 0.015 29.413 29.700 -0.504 0.000 0.758 217 E HN 0.531 nan 8.360 nan 0.000 0.448 218 V N -0.061 119.820 119.914 -0.055 0.000 3.398 218 V HA 0.309 4.429 4.120 -0.000 0.000 0.298 218 V C 0.404 176.316 176.094 -0.304 0.000 1.496 218 V CA 0.332 62.560 62.300 -0.120 0.000 1.044 218 V CB 1.139 32.909 31.823 -0.088 0.000 0.880 218 V HN 0.296 nan 8.190 nan 0.000 0.443 219 G N 0.448 109.065 108.800 -0.305 0.000 2.461 219 G HA2 0.496 4.455 3.960 -0.000 0.000 0.329 219 G HA3 0.496 4.455 3.960 -0.000 0.000 0.329 219 G C 0.163 174.826 174.900 -0.395 0.000 1.170 219 G CA 0.348 45.280 45.100 -0.281 0.000 0.935 219 G HN 0.399 nan 8.290 nan 0.000 0.492 220 S N -0.430 115.131 115.700 -0.231 0.000 2.596 220 S HA 0.374 4.844 4.470 -0.000 0.000 0.260 220 S C 1.829 176.436 174.600 0.011 0.000 1.336 220 S CA 0.373 58.502 58.200 -0.120 0.000 0.993 220 S CB 1.132 64.302 63.200 -0.049 0.000 0.923 220 S HN 1.421 nan 8.310 nan 0.000 0.567 221 A N 0.923 123.802 122.820 0.098 0.000 2.125 221 A HA -0.095 4.224 4.320 -0.000 0.000 0.219 221 A C 1.980 179.603 177.584 0.065 0.000 1.156 221 A CA 1.727 53.834 52.037 0.116 0.000 0.671 221 A CB -1.396 17.683 19.000 0.132 0.000 0.794 221 A HN 0.900 nan 8.150 nan 0.000 0.459 222 N N -0.197 118.521 118.700 0.030 0.000 2.244 222 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 222 N C 1.644 177.150 175.510 -0.006 0.000 1.016 222 N CA 1.406 54.463 53.050 0.011 0.000 0.866 222 N CB -0.319 38.166 38.487 -0.003 0.000 0.980 222 N HN 0.294 nan 8.380 nan 0.000 0.430 223 V N -0.540 119.363 119.914 -0.018 0.000 2.407 223 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 223 V C 1.811 177.896 176.094 -0.015 0.000 1.055 223 V CA 1.705 63.985 62.300 -0.032 0.000 1.049 223 V CB -0.488 31.301 31.823 -0.056 0.000 0.662 223 V HN 0.128 nan 8.190 nan 0.000 0.455 224 V N 0.625 120.553 119.914 0.023 0.000 2.237 224 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 224 V C 2.581 178.686 176.094 0.019 0.000 1.046 224 V CA 2.764 65.085 62.300 0.036 0.000 1.007 224 V CB -0.976 30.904 31.823 0.096 0.000 0.638 224 V HN 0.711 nan 8.190 nan 0.000 0.445 225 K N 0.205 120.623 120.400 0.030 0.000 2.127 225 K HA -0.277 4.043 4.320 -0.000 0.000 0.208 225 K C 2.010 178.606 176.600 -0.006 0.000 1.047 225 K CA 2.183 58.480 56.287 0.017 0.000 0.927 225 K CB -0.209 32.307 32.500 0.027 0.000 0.716 225 K HN 0.616 nan 8.250 nan 0.000 0.450 226 E N -0.287 119.901 120.200 -0.021 0.000 2.110 226 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 226 E C 1.978 178.540 176.600 -0.064 0.000 0.988 226 E CA 1.004 57.378 56.400 -0.043 0.000 0.804 226 E CB -0.125 29.536 29.700 -0.064 0.000 0.745 226 E HN 0.479 nan 8.360 nan 0.000 0.458 227 A N 0.830 123.611 122.820 -0.065 0.000 1.898 227 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 227 A C 2.471 180.027 177.584 -0.047 0.000 1.181 227 A CA 1.122 53.109 52.037 -0.083 0.000 0.620 227 A CB -0.495 18.469 19.000 -0.060 0.000 0.819 227 A HN 0.113 nan 8.150 nan 0.000 0.442 228 V N 0.523 120.423 119.914 -0.023 0.000 2.283 228 V HA -0.163 3.957 4.120 -0.000 0.000 0.243 228 V C 2.013 178.108 176.094 0.001 0.000 1.039 228 V CA 2.143 64.439 62.300 -0.008 0.000 1.016 228 V CB -0.693 31.127 31.823 -0.006 0.000 0.650 228 V HN 0.505 nan 8.190 nan 0.000 0.449 229 D N -0.492 119.907 120.400 -0.002 0.000 2.213 229 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 229 D C 2.216 178.517 176.300 0.002 0.000 0.961 229 D CA 1.812 55.815 54.000 0.004 0.000 0.853 229 D CB 0.002 40.805 40.800 0.006 0.000 0.967 229 D HN 0.535 nan 8.370 nan 0.000 0.496 230 T N -0.742 113.804 114.554 -0.013 0.000 3.018 230 T HA 0.009 4.359 4.350 -0.000 0.000 0.246 230 T C 1.547 176.240 174.700 -0.011 0.000 1.026 230 T CA -0.089 62.005 62.100 -0.010 0.000 1.081 230 T CB 0.098 68.958 68.868 -0.012 0.000 0.970 230 T HN -0.148 nan 8.240 nan 0.000 0.475 231 L N 1.426 122.612 121.223 -0.061 0.000 2.478 231 L HA 0.355 4.694 4.340 -0.000 0.000 0.223 231 L C 0.945 177.855 176.870 0.067 0.000 1.140 231 L CA 0.986 55.768 54.840 -0.098 0.000 0.842 231 L CB -0.916 40.894 42.059 -0.414 0.000 0.953 231 L HN 0.361 nan 8.230 nan 0.000 0.452 232 K N -0.045 120.385 120.400 0.049 0.000 3.077 232 K HA -0.175 4.145 4.320 -0.000 0.000 0.264 232 K C 0.368 177.036 176.600 0.113 0.000 1.008 232 K CA 0.848 57.181 56.287 0.077 0.000 0.740 232 K CB -2.777 29.773 32.500 0.083 0.000 1.273 232 K HN 0.531 nan 8.250 nan 0.000 0.477 233 T N -1.474 113.137 114.554 0.095 0.000 2.903 233 T HA 0.131 4.481 4.350 -0.000 0.000 0.314 233 T C 1.496 176.269 174.700 0.123 0.000 1.078 233 T CA -0.168 62.015 62.100 0.138 0.000 1.114 233 T CB 0.983 69.912 68.868 0.102 0.000 0.987 233 T HN 0.272 nan 8.240 nan 0.000 0.548 234 E N 0.932 121.240 120.200 0.181 0.000 2.276 234 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 234 E C 0.652 177.372 176.600 0.200 0.000 0.983 234 E CA 0.389 56.915 56.400 0.211 0.000 0.861 234 E CB 0.319 30.215 29.700 0.327 0.000 0.817 234 E HN 0.550 nan 8.360 nan 0.000 0.485 235 R N -0.040 120.596 120.500 0.226 0.000 2.817 235 R HA 0.562 4.902 4.340 -0.000 0.000 0.268 235 R C -1.127 175.199 176.300 0.043 0.000 1.027 235 R CA -0.805 55.364 56.100 0.115 0.000 0.928 235 R CB 1.380 31.773 30.300 0.155 0.000 1.228 235 R HN -0.130 nan 8.270 nan 0.000 0.469 236 L N 0.673 121.852 121.223 -0.073 0.000 2.313 236 L HA 0.481 4.821 4.340 -0.000 0.000 0.283 236 L C 0.509 177.367 176.870 -0.019 0.000 1.013 236 L CA -0.769 54.021 54.840 -0.082 0.000 0.816 236 L CB 2.006 43.923 42.059 -0.236 0.000 1.236 236 L HN 0.809 nan 8.230 nan 0.000 0.419 237 G N 1.675 110.478 108.800 0.006 0.000 2.367 237 G HA2 0.287 4.247 3.960 -0.000 0.000 0.280 237 G HA3 0.287 4.247 3.960 -0.000 0.000 0.280 237 G C 0.409 175.292 174.900 -0.029 0.000 1.175 237 G CA 0.204 45.264 45.100 -0.067 0.000 1.001 237 G HN 0.962 nan 8.290 nan 0.000 0.437 238 H N 2.219 121.191 119.070 -0.163 0.000 4.092 238 H HA -0.322 4.234 4.556 -0.000 0.000 0.085 238 H C 2.126 177.336 175.328 -0.198 0.000 0.610 238 H CA 2.069 57.844 56.048 -0.454 0.000 1.286 238 H CB -1.455 27.785 29.762 -0.870 0.000 1.283 238 H HN 1.929 nan 8.280 nan 0.000 0.861 239 G N 0.841 109.650 108.800 0.016 0.000 2.176 239 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.252 239 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.252 239 G C 0.432 175.594 174.900 0.437 0.000 1.024 239 G CA 1.152 46.433 45.100 0.302 0.000 0.755 239 G HN 0.513 nan 8.290 nan 0.000 0.507 240 Y N -0.298 120.211 120.300 0.349 0.000 2.181 240 Y HA -0.055 4.495 4.550 -0.000 0.000 0.288 240 Y C 2.577 178.465 175.900 -0.020 0.000 1.146 240 Y CA 1.257 59.415 58.100 0.097 0.000 1.164 240 Y CB -0.676 37.754 38.460 -0.049 0.000 0.982 240 Y HN 0.578 nan 8.280 nan 0.000 0.515 241 H N -0.583 118.618 119.070 0.218 0.000 2.561 241 H HA -0.091 4.464 4.556 -0.001 0.000 0.278 241 H C 2.193 177.601 175.328 0.133 0.000 1.014 241 H CA 1.366 57.491 56.048 0.129 0.000 1.211 241 H CB -0.160 29.653 29.762 0.086 0.000 1.365 241 H HN 0.390 nan 8.280 nan 0.000 0.594 242 T N -0.223 114.511 114.554 0.300 0.000 2.977 242 T HA -0.097 4.253 4.350 -0.000 0.000 0.271 242 T C 1.970 176.779 174.700 0.182 0.000 1.105 242 T CA 0.290 62.561 62.100 0.285 0.000 1.116 242 T CB -0.244 68.886 68.868 0.437 0.000 0.878 242 T HN 0.058 nan 8.240 nan 0.000 0.509 243 L N 2.061 123.298 121.223 0.023 0.000 2.275 243 L HA 0.083 4.422 4.340 -0.000 0.000 0.215 243 L C 2.557 179.382 176.870 -0.075 0.000 1.119 243 L CA 2.004 56.736 54.840 -0.180 0.000 0.790 243 L CB -1.193 40.692 42.059 -0.291 0.000 0.919 243 L HN 0.714 nan 8.230 nan 0.000 0.443 244 E N -0.945 119.255 120.200 -0.000 0.000 2.333 244 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 244 E C 0.225 176.859 176.600 0.056 0.000 1.007 244 E CA 0.759 57.178 56.400 0.032 0.000 0.845 244 E CB -0.020 29.728 29.700 0.081 0.000 0.766 244 E HN 0.293 nan 8.360 nan 0.000 0.507 245 D N 0.442 120.895 120.400 0.088 0.000 2.462 245 D HA 0.024 4.664 4.640 -0.000 0.000 0.245 245 D C 0.667 177.049 176.300 0.137 0.000 1.122 245 D CA -0.205 53.855 54.000 0.100 0.000 0.864 245 D CB 1.677 42.538 40.800 0.101 0.000 1.098 245 D HN 0.055 nan 8.370 nan 0.000 0.541 246 T N 0.688 115.311 114.554 0.114 0.000 2.985 246 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 246 T C 1.416 176.217 174.700 0.168 0.000 1.076 246 T CA 1.547 63.745 62.100 0.163 0.000 1.135 246 T CB -0.141 68.805 68.868 0.128 0.000 0.890 246 T HN 0.287 nan 8.240 nan 0.000 0.480 247 T N 2.181 116.802 114.554 0.112 0.000 2.821 247 T HA 0.059 4.409 4.350 -0.000 0.000 0.267 247 T C 1.727 176.480 174.700 0.088 0.000 1.046 247 T CA 1.218 63.368 62.100 0.083 0.000 1.139 247 T CB -0.458 68.445 68.868 0.058 0.000 0.871 247 T HN 0.268 nan 8.240 nan 0.000 0.454 248 L N 0.407 121.700 121.223 0.117 0.000 1.994 248 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 248 L C 2.151 179.131 176.870 0.184 0.000 1.071 248 L CA 1.660 56.577 54.840 0.128 0.000 0.745 248 L CB -0.954 41.186 42.059 0.136 0.000 0.892 248 L HN 0.314 nan 8.230 nan 0.000 0.431 249 Y N 0.436 120.796 120.300 0.100 0.000 2.102 249 Y HA -0.364 4.186 4.550 -0.000 0.000 0.280 249 Y C 2.476 178.428 175.900 0.086 0.000 1.178 249 Y CA 2.259 60.427 58.100 0.114 0.000 1.146 249 Y CB -0.249 38.272 38.460 0.102 0.000 0.968 249 Y HN 0.380 nan 8.280 nan 0.000 0.504 250 N N 0.288 118.930 118.700 -0.097 0.000 2.166 250 N HA -0.208 4.531 4.740 -0.000 0.000 0.186 250 N C 2.039 177.465 175.510 -0.141 0.000 1.019 250 N CA 1.381 54.321 53.050 -0.184 0.000 0.856 250 N CB -0.481 37.985 38.487 -0.034 0.000 0.993 250 N HN 0.456 nan 8.380 nan 0.000 0.426 251 R N 1.368 121.834 120.500 -0.056 0.000 2.066 251 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 251 R C 2.225 178.502 176.300 -0.037 0.000 1.131 251 R CA 0.725 56.807 56.100 -0.029 0.000 0.955 251 R CB -0.416 29.888 30.300 0.007 0.000 0.851 251 R HN 0.169 nan 8.270 nan 0.000 0.432 252 L N 1.348 122.557 121.223 -0.023 0.000 2.042 252 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 252 L C 2.768 179.617 176.870 -0.036 0.000 1.076 252 L CA 1.782 56.619 54.840 -0.005 0.000 0.749 252 L CB -0.730 41.382 42.059 0.088 0.000 0.893 252 L HN 0.236 nan 8.230 nan 0.000 0.432 253 R N 0.942 121.338 120.500 -0.172 0.000 2.103 253 R HA -0.260 4.080 4.340 -0.000 0.000 0.242 253 R C 1.960 178.211 176.300 -0.082 0.000 1.142 253 R CA 2.013 58.010 56.100 -0.172 0.000 0.960 253 R CB -1.406 28.685 30.300 -0.349 0.000 0.858 253 R HN 0.478 nan 8.270 nan 0.000 0.439 254 Q N 0.361 120.114 119.800 -0.077 0.000 2.224 254 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 254 Q C 1.310 177.301 176.000 -0.014 0.000 0.970 254 Q CA 1.754 57.535 55.803 -0.037 0.000 0.865 254 Q CB 0.001 28.718 28.738 -0.035 0.000 0.922 254 Q HN 0.691 nan 8.270 nan 0.000 0.445 255 E N -0.130 120.062 120.200 -0.013 0.000 2.478 255 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 255 E C -0.113 176.495 176.600 0.014 0.000 1.045 255 E CA 0.111 56.512 56.400 0.002 0.000 0.868 255 E CB 0.283 29.983 29.700 0.001 0.000 0.885 255 E HN 0.367 nan 8.360 nan 0.000 0.505 256 N N 0.318 119.027 118.700 0.016 0.000 2.776 256 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 256 N C -0.717 174.824 175.510 0.052 0.000 1.111 256 N CA 0.287 53.361 53.050 0.040 0.000 0.711 256 N CB -0.824 37.687 38.487 0.040 0.000 1.065 256 N HN 0.117 nan 8.380 nan 0.000 0.556 257 M N 0.771 120.383 119.600 0.021 0.000 2.248 257 M HA -0.074 4.406 4.480 -0.000 0.000 0.343 257 M C 0.625 176.917 176.300 -0.013 0.000 1.243 257 M CA 0.552 55.823 55.300 -0.048 0.000 1.025 257 M CB -0.199 32.255 32.600 -0.245 0.000 1.759 257 M HN 0.321 nan 8.290 nan 0.000 0.452 258 H N 3.306 122.314 119.070 -0.103 0.000 2.668 258 H HA 0.348 4.904 4.556 -0.000 0.000 0.303 258 H C -1.377 173.859 175.328 -0.153 0.000 1.074 258 H CA -0.033 55.996 56.048 -0.032 0.000 1.406 258 H CB 0.258 30.006 29.762 -0.022 0.000 1.442 258 H HN 0.365 nan 8.280 nan 0.000 0.482 259 F N 3.311 123.002 119.950 -0.432 0.000 2.391 259 F HA 0.188 4.715 4.527 -0.000 0.000 0.359 259 F C 0.421 176.085 175.800 -0.226 0.000 1.122 259 F CA -0.695 57.173 58.000 -0.221 0.000 1.120 259 F CB 0.993 39.921 39.000 -0.121 0.000 1.142 259 F HN 0.569 nan 8.300 nan 0.000 0.483 260 E N 4.728 124.984 120.200 0.093 0.000 1.893 260 E HA 0.211 4.560 4.350 -0.000 0.000 0.269 260 E C -0.359 176.280 176.600 0.066 0.000 1.129 260 E CA -0.305 56.172 56.400 0.128 0.000 0.904 260 E CB 0.386 30.170 29.700 0.140 0.000 1.077 260 E HN 0.336 nan 8.360 nan 0.000 0.407 261 I N 2.049 122.771 120.570 0.254 0.000 2.474 261 I HA 0.050 4.220 4.170 -0.000 0.000 0.287 261 I C 0.175 176.408 176.117 0.194 0.000 1.048 261 I CA -0.696 60.799 61.300 0.325 0.000 1.383 261 I CB 0.815 39.053 38.000 0.396 0.000 1.412 261 I HN 0.560 nan 8.210 nan 0.000 0.531 262 C N 8.108 127.567 119.300 0.265 0.000 2.439 262 C HA 0.256 4.716 4.460 -0.000 0.000 0.298 262 C C -1.065 174.014 174.990 0.149 0.000 1.094 262 C CA -0.994 58.147 59.018 0.204 0.000 1.609 262 C CB 0.096 27.962 27.740 0.209 0.000 1.723 262 C HN 0.595 nan 8.230 nan 0.000 0.423 263 P HA -0.153 nan 4.420 nan 0.000 0.214 263 P C 1.820 179.044 177.300 -0.126 0.000 1.163 263 P CA 1.299 64.232 63.100 -0.278 0.000 0.883 263 P CB 0.029 31.489 31.700 -0.400 0.000 0.788 264 W N 0.390 121.598 121.300 -0.154 0.000 2.379 264 W HA -0.164 4.496 4.660 -0.001 0.000 0.307 264 W C 2.325 178.754 176.519 -0.150 0.000 1.200 264 W CA 1.756 59.043 57.345 -0.098 0.000 1.297 264 W CB -0.841 28.585 29.460 -0.057 0.000 1.140 264 W HN -0.032 nan 8.180 nan 0.000 0.507 265 S N 0.845 116.260 115.700 -0.475 0.000 2.393 265 S HA -0.345 4.125 4.470 -0.000 0.000 0.234 265 S C 2.194 176.497 174.600 -0.495 0.000 1.064 265 S CA 3.340 61.038 58.200 -0.837 0.000 1.088 265 S CB -0.931 62.139 63.200 -0.218 0.000 0.939 265 S HN 0.497 nan 8.310 nan 0.000 0.448 266 S N -0.340 115.288 115.700 -0.119 0.000 2.368 266 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 266 S C 1.774 176.416 174.600 0.069 0.000 1.030 266 S CA 1.385 59.609 58.200 0.039 0.000 0.999 266 S CB -1.176 62.088 63.200 0.107 0.000 0.844 266 S HN 0.772 nan 8.310 nan 0.000 0.459 267 Y N 1.651 121.951 120.300 -0.000 0.000 2.070 267 Y HA -0.129 4.420 4.550 -0.000 0.000 0.280 267 Y C 2.212 177.933 175.900 -0.299 0.000 1.148 267 Y CA 1.663 59.754 58.100 -0.014 0.000 1.125 267 Y CB -0.540 37.933 38.460 0.022 0.000 0.975 267 Y HN 0.248 nan 8.280 nan 0.000 0.492 268 L N 0.438 121.478 121.223 -0.305 0.000 2.046 268 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 268 L C 2.812 179.536 176.870 -0.244 0.000 1.077 268 L CA 2.517 57.165 54.840 -0.320 0.000 0.747 268 L CB -1.392 40.339 42.059 -0.546 0.000 0.896 268 L HN 0.606 nan 8.230 nan 0.000 0.432 269 T N -4.243 110.139 114.554 -0.286 0.000 3.035 269 T HA 0.149 4.498 4.350 -0.000 0.000 0.268 269 T C 1.564 176.157 174.700 -0.178 0.000 1.109 269 T CA 0.825 62.808 62.100 -0.195 0.000 1.119 269 T CB -0.125 68.616 68.868 -0.210 0.000 0.900 269 T HN 0.487 nan 8.240 nan 0.000 0.503 270 G N 0.441 109.116 108.800 -0.208 0.000 2.194 270 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.236 270 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.236 270 G C 1.165 175.996 174.900 -0.115 0.000 0.987 270 G CA 0.281 45.266 45.100 -0.192 0.000 0.635 270 G HN 1.092 nan 8.290 nan 0.000 0.520 271 A N -1.086 121.707 122.820 -0.044 0.000 2.015 271 A HA 0.362 4.681 4.320 -0.000 0.000 0.219 271 A C 0.962 178.617 177.584 0.118 0.000 1.163 271 A CA 1.731 53.815 52.037 0.078 0.000 0.646 271 A CB -0.158 18.937 19.000 0.158 0.000 0.806 271 A HN 1.288 nan 8.150 nan 0.000 0.448 272 W N 0.727 121.931 121.300 -0.160 0.000 2.600 272 W HA 0.556 5.216 4.660 -0.000 0.000 0.325 272 W C -0.859 175.539 176.519 -0.203 0.000 1.034 272 W CA -1.034 56.188 57.345 -0.206 0.000 1.226 272 W CB 1.070 30.407 29.460 -0.206 0.000 1.379 272 W HN -0.268 nan 8.180 nan 0.000 0.466 273 K N 6.831 126.671 120.400 -0.933 0.000 2.213 273 K HA 0.270 4.590 4.320 -0.000 0.000 0.270 273 K C -1.907 173.871 176.600 -1.370 0.000 1.002 273 K CA -1.953 53.744 56.287 -0.984 0.000 0.868 273 K CB 1.891 34.078 32.500 -0.521 0.000 1.093 273 K HN 0.242 nan 8.250 nan 0.000 0.454 274 P HA -0.164 nan 4.420 nan 0.000 0.226 274 P C 0.208 177.237 177.300 -0.451 0.000 1.146 274 P CA 1.051 63.508 63.100 -1.073 0.000 0.773 274 P CB 0.100 31.544 31.700 -0.427 0.000 0.772 275 D N -2.343 117.820 120.400 -0.395 0.000 2.363 275 D HA -0.047 4.593 4.640 -0.000 0.000 0.226 275 D C 0.065 176.287 176.300 -0.130 0.000 1.020 275 D CA 0.373 54.255 54.000 -0.198 0.000 0.892 275 D CB -0.669 40.030 40.800 -0.168 0.000 0.900 275 D HN 0.079 nan 8.370 nan 0.000 0.531 276 T N -0.760 113.704 114.554 -0.150 0.000 2.950 276 T HA 0.359 4.708 4.350 -0.000 0.000 0.288 276 T C -0.293 174.557 174.700 0.250 0.000 1.035 276 T CA -1.187 60.917 62.100 0.007 0.000 1.028 276 T CB 1.390 70.240 68.868 -0.030 0.000 1.109 276 T HN 0.264 nan 8.240 nan 0.000 0.514 277 E N 0.335 120.613 120.200 0.129 0.000 2.652 277 E HA -0.075 4.275 4.350 -0.000 0.000 0.255 277 E C -0.456 176.193 176.600 0.081 0.000 0.952 277 E CA 0.011 56.456 56.400 0.075 0.000 0.947 277 E CB -0.029 29.628 29.700 -0.071 0.000 0.912 277 E HN 0.701 nan 8.360 nan 0.000 0.489 278 H N 2.766 121.732 119.070 -0.173 0.000 2.803 278 H HA 0.284 4.840 4.556 -0.000 0.000 0.330 278 H C 1.195 176.112 175.328 -0.686 0.000 1.057 278 H CA 0.533 56.115 56.048 -0.777 0.000 1.458 278 H CB 1.220 30.227 29.762 -1.258 0.000 1.470 278 H HN 0.706 nan 8.280 nan 0.000 0.560 279 A N 4.438 126.323 122.820 -1.559 0.000 1.971 279 A HA -0.243 4.077 4.320 -0.000 0.000 0.222 279 A C 2.467 179.251 177.584 -1.335 0.000 1.182 279 A CA 2.035 53.298 52.037 -1.290 0.000 0.649 279 A CB -1.101 17.148 19.000 -1.251 0.000 0.818 279 A HN 0.635 nan 8.150 nan 0.000 0.458 280 V N 1.271 120.726 119.914 -0.764 0.000 2.469 280 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 280 V C 2.271 178.209 176.094 -0.259 0.000 1.064 280 V CA 2.157 64.155 62.300 -0.503 0.000 1.066 280 V CB -0.545 31.130 31.823 -0.247 0.000 0.667 280 V HN 0.704 nan 8.190 nan 0.000 0.461 281 I N -0.631 119.835 120.570 -0.173 0.000 2.406 281 I HA -0.110 4.060 4.170 -0.000 0.000 0.249 281 I C 2.477 178.499 176.117 -0.159 0.000 1.122 281 I CA 1.887 63.135 61.300 -0.086 0.000 1.431 281 I CB -1.634 36.364 38.000 -0.003 0.000 1.087 281 I HN 0.245 nan 8.210 nan 0.000 0.424 282 R N 1.548 121.901 120.500 -0.246 0.000 2.112 282 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 282 R C 2.048 178.350 176.300 0.004 0.000 1.137 282 R CA 2.188 58.177 56.100 -0.184 0.000 0.944 282 R CB -0.964 29.141 30.300 -0.326 0.000 0.857 282 R HN 0.378 nan 8.270 nan 0.000 0.435 283 F N 0.934 120.726 119.950 -0.263 0.000 2.234 283 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 283 F C 2.172 177.915 175.800 -0.094 0.000 1.087 283 F CA 1.192 59.039 58.000 -0.254 0.000 1.340 283 F CB -0.961 37.694 39.000 -0.575 0.000 1.031 283 F HN 0.177 nan 8.300 nan 0.000 0.500 284 K N 0.955 121.377 120.400 0.036 0.000 2.001 284 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 284 K C 1.726 178.298 176.600 -0.046 0.000 1.048 284 K CA 1.841 58.120 56.287 -0.013 0.000 0.932 284 K CB -0.377 31.897 32.500 -0.376 0.000 0.715 284 K HN 0.267 nan 8.250 nan 0.000 0.437 285 N N 0.466 119.125 118.700 -0.069 0.000 2.205 285 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 285 N C 0.598 176.117 175.510 0.015 0.000 1.015 285 N CA 1.292 54.317 53.050 -0.041 0.000 0.862 285 N CB 0.021 38.481 38.487 -0.045 0.000 0.986 285 N HN 0.241 nan 8.380 nan 0.000 0.429 286 D N 0.609 121.052 120.400 0.072 0.000 2.328 286 D HA 0.001 4.640 4.640 -0.000 0.000 0.221 286 D C 0.134 176.479 176.300 0.076 0.000 1.072 286 D CA 0.263 54.318 54.000 0.092 0.000 0.850 286 D CB 0.170 41.073 40.800 0.171 0.000 0.922 286 D HN 0.130 nan 8.370 nan 0.000 0.516 287 Q N -0.380 119.472 119.800 0.087 0.000 2.461 287 Q HA -0.182 4.158 4.340 -0.000 0.000 0.273 287 Q C 0.510 176.571 176.000 0.102 0.000 1.163 287 Q CA 0.320 56.176 55.803 0.088 0.000 0.929 287 Q CB -2.570 26.194 28.738 0.042 0.000 1.334 287 Q HN 0.395 nan 8.270 nan 0.000 0.499 288 V N -0.292 119.704 119.914 0.136 0.000 3.237 288 V HA 0.106 4.226 4.120 -0.000 0.000 0.305 288 V C 0.734 176.947 176.094 0.199 0.000 1.096 288 V CA 0.231 62.590 62.300 0.099 0.000 1.130 288 V CB 1.185 32.931 31.823 -0.129 0.000 1.048 288 V HN 0.471 nan 8.190 nan 0.000 0.484 289 N N 3.361 122.156 118.700 0.157 0.000 2.406 289 N HA 0.266 5.006 4.740 -0.000 0.000 0.269 289 N C -1.064 174.529 175.510 0.137 0.000 1.210 289 N CA -0.228 52.917 53.050 0.158 0.000 0.966 289 N CB -0.061 38.536 38.487 0.184 0.000 1.293 289 N HN 0.794 nan 8.380 nan 0.000 0.491 290 Y N 0.601 120.913 120.300 0.019 0.000 2.615 290 Y HA 0.589 5.139 4.550 -0.000 0.000 0.341 290 Y C -0.877 175.087 175.900 0.106 0.000 1.089 290 Y CA -1.296 56.735 58.100 -0.114 0.000 1.049 290 Y CB 0.602 39.099 38.460 0.061 0.000 1.296 290 Y HN 0.193 nan 8.280 nan 0.000 0.470 291 S N 1.694 117.474 115.700 0.133 0.000 2.689 291 S HA 0.794 5.264 4.470 -0.000 0.000 0.306 291 S C -1.726 173.055 174.600 0.302 0.000 1.104 291 S CA -0.752 57.584 58.200 0.225 0.000 0.973 291 S CB 1.916 65.362 63.200 0.410 0.000 1.121 291 S HN 0.668 nan 8.310 nan 0.000 0.523 292 L N 2.381 123.723 121.223 0.198 0.000 2.313 292 L HA 0.629 4.968 4.340 -0.000 0.000 0.283 292 L C -0.442 176.532 176.870 0.173 0.000 1.013 292 L CA -0.194 54.722 54.840 0.127 0.000 0.816 292 L CB 1.091 43.073 42.059 -0.128 0.000 1.236 292 L HN 0.804 nan 8.230 nan 0.000 0.419 293 N N 1.208 120.009 118.700 0.170 0.000 2.494 293 N HA 0.280 5.020 4.740 -0.000 0.000 0.270 293 N C -0.283 175.377 175.510 0.250 0.000 1.285 293 N CA -0.383 52.798 53.050 0.218 0.000 0.812 293 N CB 2.335 40.944 38.487 0.204 0.000 1.557 293 N HN 0.400 nan 8.380 nan 0.000 0.487 294 T N -0.536 114.204 114.554 0.310 0.000 3.023 294 T HA 0.055 4.405 4.350 -0.000 0.000 0.253 294 T C 0.446 175.459 174.700 0.522 0.000 1.038 294 T CA 0.470 62.802 62.100 0.386 0.000 0.962 294 T CB -0.027 69.063 68.868 0.369 0.000 1.018 294 T HN 0.687 nan 8.240 nan 0.000 0.521 295 D N 1.287 122.008 120.400 0.536 0.000 4.286 295 D HA -0.161 4.478 4.640 -0.000 0.000 0.203 295 D C -0.649 176.081 176.300 0.718 0.000 1.071 295 D CA 2.220 56.663 54.000 0.738 0.000 2.291 295 D CB -1.170 40.101 40.800 0.786 0.000 1.164 295 D HN 0.575 nan 8.370 nan 0.000 0.407 296 D N 0.135 120.919 120.400 0.640 0.000 2.517 296 D HA 0.254 4.894 4.640 -0.000 0.000 0.263 296 D C -1.964 174.444 176.300 0.180 0.000 1.233 296 D CA -0.765 53.399 54.000 0.272 0.000 0.849 296 D CB 1.954 42.638 40.800 -0.194 0.000 1.261 296 D HN 0.117 nan 8.370 nan 0.000 0.516 297 P HA -0.205 nan 4.420 nan 0.000 0.216 297 P C 1.673 179.044 177.300 0.118 0.000 1.150 297 P CA 0.498 63.744 63.100 0.243 0.000 0.837 297 P CB 0.776 32.601 31.700 0.207 0.000 0.786 298 L N -0.296 120.944 121.223 0.029 0.000 1.971 298 L HA -0.179 4.160 4.340 -0.000 0.000 0.215 298 L C 2.582 179.384 176.870 -0.115 0.000 1.072 298 L CA 2.066 56.858 54.840 -0.080 0.000 0.758 298 L CB -0.799 41.139 42.059 -0.202 0.000 0.889 298 L HN -0.102 nan 8.230 nan 0.000 0.433 299 I N -0.921 119.513 120.570 -0.226 0.000 2.252 299 I HA -0.302 3.867 4.170 -0.000 0.000 0.245 299 I C 1.973 178.047 176.117 -0.072 0.000 1.102 299 I CA 1.186 62.309 61.300 -0.296 0.000 1.385 299 I CB -0.344 37.302 38.000 -0.590 0.000 1.064 299 I HN 0.172 nan 8.210 nan 0.000 0.414 300 F N 0.876 120.974 119.950 0.247 0.000 2.797 300 F HA 0.147 4.674 4.527 -0.000 0.000 0.302 300 F C 1.104 177.170 175.800 0.442 0.000 1.130 300 F CA -0.231 57.979 58.000 0.350 0.000 1.387 300 F CB -0.763 38.478 39.000 0.401 0.000 1.107 300 F HN -0.055 nan 8.300 nan 0.000 0.577 301 K N 0.390 121.014 120.400 0.372 0.000 3.299 301 K HA -0.162 4.158 4.320 -0.000 0.000 0.284 301 K C -0.047 176.667 176.600 0.189 0.000 1.235 301 K CA 0.656 57.089 56.287 0.244 0.000 0.833 301 K CB -1.372 31.279 32.500 0.251 0.000 1.330 301 K HN 0.457 nan 8.250 nan 0.000 0.510 302 S N -2.491 113.337 115.700 0.214 0.000 2.732 302 S HA 0.826 5.296 4.470 -0.000 0.000 0.293 302 S C -0.230 174.422 174.600 0.087 0.000 1.159 302 S CA -0.516 57.763 58.200 0.131 0.000 0.847 302 S CB 2.765 66.116 63.200 0.253 0.000 1.169 302 S HN 0.010 nan 8.310 nan 0.000 0.501 303 T N 0.878 115.445 114.554 0.022 0.000 2.883 303 T HA 0.472 4.821 4.350 -0.000 0.000 0.296 303 T C 1.091 175.822 174.700 0.052 0.000 1.117 303 T CA -0.793 61.323 62.100 0.027 0.000 1.006 303 T CB 1.386 70.236 68.868 -0.031 0.000 1.191 303 T HN 0.624 nan 8.240 nan 0.000 0.508 304 L N 0.761 122.023 121.223 0.066 0.000 2.089 304 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 304 L C 1.960 178.915 176.870 0.143 0.000 1.079 304 L CA 1.929 56.843 54.840 0.123 0.000 0.758 304 L CB -0.176 41.926 42.059 0.072 0.000 0.891 304 L HN 0.784 nan 8.230 nan 0.000 0.433 305 D N -1.474 118.930 120.400 0.007 0.000 2.264 305 D HA -0.153 4.487 4.640 -0.000 0.000 0.208 305 D C 1.892 178.184 176.300 -0.012 0.000 0.966 305 D CA 1.225 55.216 54.000 -0.016 0.000 0.864 305 D CB 0.295 41.038 40.800 -0.094 0.000 0.933 305 D HN 0.286 nan 8.370 nan 0.000 0.499 306 T N 0.058 114.566 114.554 -0.077 0.000 2.635 306 T HA -0.206 4.143 4.350 -0.000 0.000 0.267 306 T C 1.386 176.004 174.700 -0.137 0.000 1.040 306 T CA 1.460 63.434 62.100 -0.210 0.000 1.156 306 T CB -0.358 68.278 68.868 -0.387 0.000 0.863 306 T HN 0.275 nan 8.240 nan 0.000 0.430 307 D N 0.058 120.463 120.400 0.009 0.000 2.144 307 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 307 D C 1.915 178.135 176.300 -0.133 0.000 0.984 307 D CA 1.161 55.157 54.000 -0.007 0.000 0.834 307 D CB -0.199 40.634 40.800 0.055 0.000 0.955 307 D HN 0.441 nan 8.370 nan 0.000 0.465 308 Y N 1.459 121.665 120.300 -0.156 0.000 2.293 308 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 308 Y C 2.700 178.539 175.900 -0.102 0.000 1.137 308 Y CA 0.785 58.749 58.100 -0.227 0.000 1.202 308 Y CB -0.002 38.234 38.460 -0.372 0.000 0.990 308 Y HN -0.069 nan 8.280 nan 0.000 0.537 309 Q N -0.568 119.246 119.800 0.024 0.000 2.096 309 Q HA -0.180 4.159 4.340 -0.000 0.000 0.197 309 Q C 2.431 178.402 176.000 -0.048 0.000 0.964 309 Q CA 1.157 56.959 55.803 -0.002 0.000 0.838 309 Q CB -0.452 28.252 28.738 -0.057 0.000 0.906 309 Q HN 0.537 nan 8.270 nan 0.000 0.444 310 M N 1.151 120.681 119.600 -0.116 0.000 2.108 310 M HA -0.185 4.294 4.480 -0.000 0.000 0.261 310 M C 2.097 178.278 176.300 -0.199 0.000 1.066 310 M CA 2.201 57.420 55.300 -0.136 0.000 1.107 310 M CB -0.260 32.270 32.600 -0.116 0.000 1.356 310 M HN 0.304 nan 8.290 nan 0.000 0.406 311 T N -2.020 112.357 114.554 -0.295 0.000 2.867 311 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 311 T C 1.813 176.362 174.700 -0.252 0.000 1.057 311 T CA 1.360 63.137 62.100 -0.539 0.000 1.136 311 T CB -0.368 67.838 68.868 -1.102 0.000 0.874 311 T HN 0.466 nan 8.240 nan 0.000 0.466 312 K N 0.436 120.870 120.400 0.056 0.000 2.262 312 K HA 0.090 4.410 4.320 -0.000 0.000 0.200 312 K C 2.016 178.667 176.600 0.085 0.000 1.049 312 K CA 0.480 56.862 56.287 0.159 0.000 0.979 312 K CB 0.096 32.825 32.500 0.383 0.000 0.773 312 K HN 0.120 nan 8.250 nan 0.000 0.474 313 K N 1.160 121.585 120.400 0.042 0.000 2.044 313 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 313 K C 0.958 177.566 176.600 0.013 0.000 1.045 313 K CA 1.646 57.947 56.287 0.023 0.000 0.951 313 K CB 0.074 32.576 32.500 0.004 0.000 0.738 313 K HN 0.123 nan 8.250 nan 0.000 0.443 314 D N -0.955 119.437 120.400 -0.014 0.000 2.340 314 D HA 0.100 4.740 4.640 -0.000 0.000 0.220 314 D C 0.332 176.641 176.300 0.015 0.000 1.039 314 D CA 0.602 54.606 54.000 0.007 0.000 0.866 314 D CB 0.359 41.173 40.800 0.023 0.000 0.913 314 D HN 0.093 nan 8.370 nan 0.000 0.523 315 M N -1.181 118.429 119.600 0.016 0.000 2.821 315 M HA 0.238 4.718 4.480 -0.000 0.000 0.432 315 M C 0.737 177.145 176.300 0.181 0.000 1.291 315 M CA -0.244 55.102 55.300 0.076 0.000 0.838 315 M CB 1.638 34.271 32.600 0.056 0.000 1.505 315 M HN -0.020 nan 8.290 nan 0.000 0.523 316 G N 1.348 110.216 108.800 0.114 0.000 2.361 316 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.294 316 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.294 316 G C -0.179 174.767 174.900 0.077 0.000 1.004 316 G CA 0.139 45.286 45.100 0.078 0.000 0.870 316 G HN 0.378 nan 8.290 nan 0.000 0.510 317 F N 0.905 120.724 119.950 -0.218 0.000 2.496 317 F HA 0.495 5.021 4.527 -0.001 0.000 0.344 317 F C 1.463 176.967 175.800 -0.495 0.000 1.155 317 F CA 0.134 57.876 58.000 -0.430 0.000 1.302 317 F CB 0.794 39.358 39.000 -0.727 0.000 1.159 317 F HN 0.285 nan 8.300 nan 0.000 0.595 318 T N -1.683 112.622 114.554 -0.415 0.000 2.926 318 T HA 0.358 4.708 4.350 -0.000 0.000 0.289 318 T C 0.752 175.249 174.700 -0.339 0.000 1.054 318 T CA -0.740 61.188 62.100 -0.286 0.000 1.015 318 T CB 1.490 70.270 68.868 -0.145 0.000 1.167 318 T HN 0.486 nan 8.240 nan 0.000 0.526 319 E N 0.225 120.434 120.200 0.015 0.000 2.219 319 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 319 E C 1.905 178.562 176.600 0.095 0.000 0.998 319 E CA 1.530 58.062 56.400 0.221 0.000 0.818 319 E CB 0.016 29.904 29.700 0.314 0.000 0.741 319 E HN 0.626 nan 8.360 nan 0.000 0.477 320 E N 0.066 120.256 120.200 -0.017 0.000 2.107 320 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 320 E C 1.963 178.522 176.600 -0.067 0.000 0.982 320 E CA 0.860 57.245 56.400 -0.024 0.000 0.809 320 E CB -0.172 29.511 29.700 -0.028 0.000 0.756 320 E HN 0.220 nan 8.360 nan 0.000 0.459 321 E N 1.029 121.129 120.200 -0.167 0.000 2.051 321 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 321 E C 1.890 178.447 176.600 -0.072 0.000 0.991 321 E CA 1.135 57.419 56.400 -0.194 0.000 0.799 321 E CB -0.490 28.961 29.700 -0.415 0.000 0.748 321 E HN 0.295 nan 8.360 nan 0.000 0.449 322 F N 0.661 120.518 119.950 -0.156 0.000 2.120 322 F HA -0.231 4.295 4.527 -0.000 0.000 0.300 322 F C 2.310 177.798 175.800 -0.519 0.000 1.095 322 F CA 1.131 58.871 58.000 -0.433 0.000 1.249 322 F CB -0.146 38.341 39.000 -0.855 0.000 0.995 322 F HN 0.013 nan 8.300 nan 0.000 0.480 323 K N 0.401 120.711 120.400 -0.151 0.000 2.062 323 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 323 K C 2.024 178.656 176.600 0.052 0.000 1.051 323 K CA 1.439 57.614 56.287 -0.187 0.000 0.941 323 K CB -0.284 32.073 32.500 -0.238 0.000 0.719 323 K HN 0.262 nan 8.250 nan 0.000 0.440 324 R N 1.945 122.468 120.500 0.038 0.000 2.152 324 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 324 R C 2.219 178.532 176.300 0.022 0.000 1.117 324 R CA 1.107 57.246 56.100 0.065 0.000 0.981 324 R CB -0.595 29.727 30.300 0.036 0.000 0.870 324 R HN 0.252 nan 8.270 nan 0.000 0.451 325 L N 0.212 121.413 121.223 -0.037 0.000 2.156 325 L HA -0.004 4.335 4.340 -0.000 0.000 0.208 325 L C 0.788 177.664 176.870 0.009 0.000 1.095 325 L CA 1.903 56.668 54.840 -0.125 0.000 0.770 325 L CB -0.428 41.491 42.059 -0.233 0.000 0.914 325 L HN 0.240 nan 8.230 nan 0.000 0.439 326 N N 0.213 118.980 118.700 0.112 0.000 2.331 326 N HA -0.087 4.653 4.740 -0.000 0.000 0.180 326 N C 1.834 177.446 175.510 0.170 0.000 1.019 326 N CA 1.109 54.281 53.050 0.204 0.000 0.881 326 N CB 0.081 38.794 38.487 0.377 0.000 0.972 326 N HN 0.279 nan 8.380 nan 0.000 0.435 327 I N 1.207 121.888 120.570 0.184 0.000 2.202 327 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 327 I C 1.681 177.823 176.117 0.041 0.000 1.091 327 I CA 1.140 62.489 61.300 0.081 0.000 1.368 327 I CB -1.185 36.898 38.000 0.138 0.000 1.058 327 I HN 0.200 nan 8.210 nan 0.000 0.410 328 N N 1.527 120.261 118.700 0.056 0.000 2.060 328 N HA -0.186 4.553 4.740 -0.000 0.000 0.195 328 N C 1.934 177.453 175.510 0.015 0.000 1.028 328 N CA 1.870 54.953 53.050 0.054 0.000 0.861 328 N CB -0.380 38.142 38.487 0.058 0.000 1.029 328 N HN 0.391 nan 8.380 nan 0.000 0.428 329 A N 0.874 123.718 122.820 0.041 0.000 1.917 329 A HA -0.114 4.205 4.320 -0.000 0.000 0.219 329 A C 2.387 179.895 177.584 -0.127 0.000 1.182 329 A CA 2.380 54.393 52.037 -0.040 0.000 0.633 329 A CB -0.942 18.110 19.000 0.086 0.000 0.819 329 A HN 0.373 nan 8.150 nan 0.000 0.448 330 A N -0.557 122.221 122.820 -0.070 0.000 1.898 330 A HA -0.125 4.194 4.320 -0.000 0.000 0.216 330 A C 2.100 179.592 177.584 -0.153 0.000 1.181 330 A CA 1.719 53.682 52.037 -0.123 0.000 0.620 330 A CB -0.405 18.520 19.000 -0.126 0.000 0.819 330 A HN 0.551 nan 8.150 nan 0.000 0.442 331 K N 0.150 120.487 120.400 -0.106 0.000 2.147 331 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 331 K C 1.539 178.067 176.600 -0.119 0.000 1.049 331 K CA 1.539 57.777 56.287 -0.082 0.000 0.936 331 K CB -0.085 32.401 32.500 -0.023 0.000 0.722 331 K HN 0.445 nan 8.250 nan 0.000 0.446 332 S N 0.821 116.398 115.700 -0.205 0.000 2.556 332 S HA 0.018 4.488 4.470 -0.000 0.000 0.216 332 S C 0.493 174.826 174.600 -0.445 0.000 0.970 332 S CA -0.342 57.675 58.200 -0.304 0.000 0.912 332 S CB 0.201 63.079 63.200 -0.537 0.000 0.790 332 S HN 0.316 nan 8.310 nan 0.000 0.504 333 S N 1.258 116.747 115.700 -0.352 0.000 2.572 333 S HA 0.181 4.651 4.470 -0.000 0.000 0.267 333 S C 0.065 174.464 174.600 -0.334 0.000 1.361 333 S CA -0.204 57.780 58.200 -0.360 0.000 1.009 333 S CB -0.108 62.961 63.200 -0.218 0.000 0.888 333 S HN 0.193 nan 8.310 nan 0.000 0.553 334 F N 0.418 120.278 119.950 -0.151 0.000 2.701 334 F HA 0.399 4.926 4.527 -0.000 0.000 0.295 334 F C 0.241 175.960 175.800 -0.134 0.000 1.165 334 F CA -1.212 56.604 58.000 -0.308 0.000 1.399 334 F CB -0.917 37.939 39.000 -0.240 0.000 0.996 334 F HN 0.245 nan 8.300 nan 0.000 0.513 335 L N 1.376 122.601 121.223 0.002 0.000 2.452 335 L HA 0.268 4.608 4.340 -0.000 0.000 0.267 335 L C -1.775 175.113 176.870 0.029 0.000 1.188 335 L CA -2.379 52.455 54.840 -0.010 0.000 0.821 335 L CB -0.283 41.667 42.059 -0.182 0.000 1.102 335 L HN -0.062 nan 8.230 nan 0.000 0.470 336 P HA 0.008 nan 4.420 nan 0.000 0.266 336 P C 0.648 177.962 177.300 0.022 0.000 1.193 336 P CA -0.143 62.993 63.100 0.060 0.000 0.770 336 P CB 0.556 32.288 31.700 0.054 0.000 0.836 337 E N 1.966 122.186 120.200 0.033 0.000 2.171 337 E HA -0.226 4.123 4.350 -0.000 0.000 0.197 337 E C 1.320 177.919 176.600 -0.001 0.000 0.997 337 E CA 1.524 57.932 56.400 0.013 0.000 0.810 337 E CB -0.330 29.383 29.700 0.021 0.000 0.738 337 E HN 0.645 nan 8.360 nan 0.000 0.467 338 D N 0.527 120.929 120.400 0.004 0.000 2.091 338 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 338 D C 1.413 177.702 176.300 -0.019 0.000 0.980 338 D CA 0.965 54.963 54.000 -0.003 0.000 0.831 338 D CB -0.590 40.212 40.800 0.004 0.000 0.987 338 D HN 0.255 nan 8.370 nan 0.000 0.460 339 E N 0.610 120.794 120.200 -0.026 0.000 2.265 339 E HA -0.161 4.188 4.350 -0.000 0.000 0.196 339 E C 2.100 178.638 176.600 -0.104 0.000 0.996 339 E CA 0.784 57.153 56.400 -0.052 0.000 0.832 339 E CB -0.110 29.565 29.700 -0.042 0.000 0.756 339 E HN 0.382 nan 8.360 nan 0.000 0.491 340 K N 1.346 121.686 120.400 -0.101 0.000 2.155 340 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 340 K C 1.756 178.300 176.600 -0.094 0.000 1.052 340 K CA 0.890 57.097 56.287 -0.134 0.000 0.948 340 K CB 0.284 32.714 32.500 -0.117 0.000 0.728 340 K HN -0.160 nan 8.250 nan 0.000 0.448 341 K N 1.255 121.626 120.400 -0.048 0.000 2.097 341 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 341 K C 1.869 178.454 176.600 -0.025 0.000 1.050 341 K CA 1.489 57.765 56.287 -0.019 0.000 0.938 341 K CB -0.155 32.348 32.500 0.006 0.000 0.718 341 K HN 0.410 nan 8.250 nan 0.000 0.442 342 E N 0.771 120.948 120.200 -0.039 0.000 2.077 342 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 342 E C 1.992 178.547 176.600 -0.075 0.000 0.989 342 E CA 0.640 57.015 56.400 -0.042 0.000 0.800 342 E CB -0.176 29.502 29.700 -0.037 0.000 0.746 342 E HN 0.035 nan 8.360 nan 0.000 0.452 343 L N 0.989 122.143 121.223 -0.115 0.000 2.012 343 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 343 L C 2.113 178.867 176.870 -0.193 0.000 1.073 343 L CA 1.390 56.134 54.840 -0.159 0.000 0.748 343 L CB -0.406 41.516 42.059 -0.227 0.000 0.891 343 L HN 0.133 nan 8.230 nan 0.000 0.431 344 L N -0.276 120.840 121.223 -0.178 0.000 2.043 344 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 344 L C 2.342 179.030 176.870 -0.302 0.000 1.075 344 L CA 1.800 56.480 54.840 -0.267 0.000 0.752 344 L CB -1.612 40.408 42.059 -0.064 0.000 0.891 344 L HN 0.394 nan 8.230 nan 0.000 0.432 345 D N -1.055 119.313 120.400 -0.054 0.000 2.097 345 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 345 D C 2.261 178.548 176.300 -0.022 0.000 0.984 345 D CA 0.465 54.508 54.000 0.072 0.000 0.826 345 D CB -0.232 40.608 40.800 0.066 0.000 0.973 345 D HN 0.095 nan 8.370 nan 0.000 0.460 346 L N 1.145 122.314 121.223 -0.091 0.000 2.034 346 L HA -0.201 4.139 4.340 -0.000 0.000 0.217 346 L C 1.951 178.678 176.870 -0.237 0.000 1.077 346 L CA 1.630 56.392 54.840 -0.130 0.000 0.769 346 L CB -0.907 41.076 42.059 -0.126 0.000 0.890 346 L HN 0.051 nan 8.230 nan 0.000 0.435 347 L N -1.473 119.508 121.223 -0.404 0.000 2.109 347 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 347 L C 2.627 179.114 176.870 -0.639 0.000 1.086 347 L CA 1.408 55.822 54.840 -0.709 0.000 0.760 347 L CB -1.711 39.817 42.059 -0.885 0.000 0.910 347 L HN 0.297 nan 8.230 nan 0.000 0.437 348 Y N 1.009 121.197 120.300 -0.187 0.000 2.081 348 Y HA -0.307 4.243 4.550 -0.000 0.000 0.280 348 Y C 2.664 178.556 175.900 -0.013 0.000 1.163 348 Y CA 1.319 59.398 58.100 -0.034 0.000 1.135 348 Y CB -0.274 38.185 38.460 -0.002 0.000 0.970 348 Y HN 0.151 nan 8.280 nan 0.000 0.498 349 K N -0.212 120.261 120.400 0.122 0.000 2.152 349 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 349 K C 2.045 178.665 176.600 0.034 0.000 1.048 349 K CA 1.180 57.506 56.287 0.066 0.000 0.933 349 K CB -0.232 32.283 32.500 0.025 0.000 0.721 349 K HN 0.296 nan 8.250 nan 0.000 0.447 350 A N -0.286 122.513 122.820 -0.035 0.000 2.238 350 A HA 0.064 4.384 4.320 -0.000 0.000 0.210 350 A C 1.295 178.973 177.584 0.158 0.000 1.179 350 A CA 0.109 52.145 52.037 -0.001 0.000 0.827 350 A CB -0.210 18.740 19.000 -0.083 0.000 0.856 350 A HN 0.308 nan 8.150 nan 0.000 0.488 351 Y N -0.720 119.617 120.300 0.061 0.000 2.482 351 Y HA 0.181 4.730 4.550 -0.000 0.000 0.270 351 Y C 1.353 177.316 175.900 0.105 0.000 1.152 351 Y CA 0.113 58.271 58.100 0.096 0.000 1.292 351 Y CB 0.299 38.852 38.460 0.156 0.000 1.070 351 Y HN 0.339 nan 8.280 nan 0.000 0.528 352 R N 0.000 120.644 120.500 0.240 0.000 2.786 352 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 352 R CA 0.000 56.194 56.100 0.156 0.000 0.921 352 R CB 0.000 30.393 30.300 0.154 0.000 0.687 352 R HN 0.000 nan 8.270 nan 0.000 0.535