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 2wpa_1_C DATA FIRST_RESID 0 DATA SEQUENCE DMENFQKVEK IGEGTYGVVY KARNKLTGEV VALKKIRLDT ETEGVPSTAI DATA SEQUENCE REISLLKELN HPNIVKLLDV IHTENKLYLV FEFLHQDLKK FMDASALTGI DATA SEQUENCE PLPLIKSYLF QLLQGLAFCH SHRVLHRDLK PQNLLINTEG AIKLADFGLA DATA SEQUENCE RAFGVPVRTY THEVVTLWYR APEILLGCKY YSTAVDIWSL GCIFAEMVTR DATA SEQUENCE RALFPGDSEI DQLFRIFRTL GTPDEVVWPG VTSMPDYKPS FPKWARQDFS DATA SEQUENCE KVVPPLDEDG RSLLSQMLHY DPNKRISAKA ALAHPFFQDV TKPVPHLRL 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 0 D HA 0.000 nan 4.640 nan 0.000 0.175 0 D C 0.000 176.278 176.300 -0.037 0.000 2.045 0 D CA 0.000 53.980 54.000 -0.033 0.000 0.868 0 D CB 0.000 40.818 40.800 0.030 0.000 0.688 1 M N 1.430 121.039 119.600 0.015 0.000 2.296 1 M HA -0.034 4.446 4.480 0.000 0.000 0.265 1 M C 1.799 178.104 176.300 0.009 0.000 1.064 1 M CA 1.275 56.598 55.300 0.039 0.000 1.109 1 M CB -0.746 31.803 32.600 -0.086 0.000 1.396 1 M HN 0.092 nan 8.290 nan 0.000 0.430 2 E N 1.253 121.432 120.200 -0.037 0.000 2.160 2 E HA -0.149 4.201 4.350 0.000 0.000 0.195 2 E C 1.257 177.806 176.600 -0.086 0.000 0.991 2 E CA 1.204 57.575 56.400 -0.048 0.000 0.810 2 E CB -0.203 29.469 29.700 -0.047 0.000 0.742 2 E HN 0.385 nan 8.360 nan 0.000 0.466 3 N N -0.288 118.304 118.700 -0.179 0.000 2.383 3 N HA 0.004 4.744 4.740 0.000 0.000 0.192 3 N C -0.858 174.419 175.510 -0.389 0.000 1.141 3 N CA 0.188 53.069 53.050 -0.281 0.000 0.851 3 N CB 0.074 38.347 38.487 -0.358 0.000 0.976 3 N HN 0.053 nan 8.380 nan 0.000 0.465 4 F N 0.614 120.513 119.950 -0.085 0.000 2.443 4 F HA 0.339 4.866 4.527 0.000 0.000 0.335 4 F C 0.589 176.336 175.800 -0.089 0.000 1.104 4 F CA -0.994 56.952 58.000 -0.090 0.000 1.013 4 F CB 1.470 40.397 39.000 -0.122 0.000 1.136 4 F HN -0.228 nan 8.300 nan 0.000 0.470 5 Q N 3.381 123.273 119.800 0.153 0.000 2.333 5 Q HA 0.319 4.659 4.340 0.000 0.000 0.265 5 Q C -1.073 174.942 176.000 0.025 0.000 0.989 5 Q CA -0.583 55.250 55.803 0.050 0.000 0.842 5 Q CB 1.095 29.847 28.738 0.023 0.000 1.262 5 Q HN 0.468 nan 8.270 nan 0.000 0.451 6 K N 2.744 123.125 120.400 -0.031 0.000 2.339 6 K HA 0.177 4.497 4.320 0.000 0.000 0.286 6 K C 0.058 176.648 176.600 -0.017 0.000 1.050 6 K CA -0.187 56.062 56.287 -0.062 0.000 0.956 6 K CB 1.129 33.516 32.500 -0.188 0.000 0.990 6 K HN 0.483 nan 8.250 nan 0.000 0.475 7 V N 1.961 121.880 119.914 0.007 0.000 2.908 7 V HA 0.058 4.178 4.120 0.000 0.000 0.240 7 V C 0.184 176.300 176.094 0.035 0.000 1.117 7 V CA 0.632 62.934 62.300 0.003 0.000 1.133 7 V CB 0.242 32.042 31.823 -0.040 0.000 0.857 7 V HN 0.831 nan 8.190 nan 0.000 0.478 8 E N 0.283 120.532 120.200 0.082 0.000 2.451 8 E HA 0.237 4.587 4.350 0.000 0.000 0.295 8 E C -1.242 175.467 176.600 0.180 0.000 0.966 8 E CA -0.592 55.873 56.400 0.109 0.000 0.808 8 E CB 1.832 31.572 29.700 0.065 0.000 1.242 8 E HN 0.190 nan 8.360 nan 0.000 0.412 9 K N 4.945 125.453 120.400 0.181 0.000 2.349 9 K HA 0.226 4.546 4.320 0.000 0.000 0.288 9 K C 0.909 177.523 176.600 0.022 0.000 1.058 9 K CA 0.051 56.380 56.287 0.069 0.000 0.953 9 K CB 0.328 32.840 32.500 0.020 0.000 0.997 9 K HN 0.553 nan 8.250 nan 0.000 0.477 10 I N 0.425 120.995 120.570 -0.000 0.000 4.154 10 I HA 0.443 4.613 4.170 0.000 0.000 0.334 10 I C 0.360 176.479 176.117 0.004 0.000 1.371 10 I CA -0.614 60.711 61.300 0.041 0.000 1.110 10 I CB 0.963 39.035 38.000 0.120 0.000 1.085 10 I HN 0.568 nan 8.210 nan 0.000 0.398 11 G N 0.832 109.607 108.800 -0.041 0.000 2.596 11 G HA2 0.504 4.464 3.960 0.000 0.000 0.296 11 G HA3 0.504 4.464 3.960 0.000 0.000 0.296 11 G C -2.026 172.840 174.900 -0.057 0.000 1.513 11 G CA -0.395 44.697 45.100 -0.013 0.000 0.851 11 G HN 0.171 nan 8.290 nan 0.000 0.548 12 E N -0.813 119.349 120.200 -0.063 0.000 2.392 12 E HA 0.713 5.063 4.350 0.000 0.000 0.279 12 E C -0.236 176.166 176.600 -0.329 0.000 0.964 12 E CA -0.527 55.743 56.400 -0.218 0.000 0.777 12 E CB 2.771 32.361 29.700 -0.182 0.000 1.249 12 E HN 1.174 nan 8.360 nan 0.000 0.449 13 G N -0.727 107.659 108.800 -0.690 0.000 2.489 13 G HA2 0.182 4.142 3.960 0.000 0.000 0.305 13 G HA3 0.182 4.142 3.960 0.000 0.000 0.305 13 G C 0.424 174.966 174.900 -0.596 0.000 1.311 13 G CA 0.100 44.816 45.100 -0.640 0.000 0.813 13 G HN 0.480 nan 8.290 nan 0.000 0.480 14 T N -1.734 112.627 114.554 -0.322 0.000 2.962 14 T HA -0.146 4.204 4.350 0.000 0.000 0.270 14 T C 2.014 176.616 174.700 -0.164 0.000 1.088 14 T CA 2.279 64.271 62.100 -0.180 0.000 1.127 14 T CB -0.501 68.330 68.868 -0.061 0.000 0.883 14 T HN 0.828 nan 8.240 nan 0.000 0.493 15 Y N 1.936 122.217 120.300 -0.032 0.000 2.439 15 Y HA 0.472 5.022 4.550 0.000 0.000 0.292 15 Y C 1.208 177.087 175.900 -0.034 0.000 1.130 15 Y CA -0.512 57.570 58.100 -0.030 0.000 1.254 15 Y CB -0.804 37.637 38.460 -0.032 0.000 1.000 15 Y HN 0.520 nan 8.280 nan 0.000 0.554 16 G N -0.399 108.119 108.800 -0.469 0.000 2.288 16 G HA2 0.247 4.207 3.960 0.000 0.000 0.227 16 G HA3 0.247 4.207 3.960 0.000 0.000 0.227 16 G C -1.767 172.925 174.900 -0.347 0.000 1.339 16 G CA -0.462 44.514 45.100 -0.207 0.000 1.057 16 G HN 0.309 nan 8.290 nan 0.000 0.470 17 V N -0.410 119.466 119.914 -0.063 0.000 2.962 17 V HA 0.743 4.863 4.120 0.000 0.000 0.313 17 V C -0.327 175.735 176.094 -0.054 0.000 1.099 17 V CA -0.781 61.427 62.300 -0.152 0.000 0.971 17 V CB 1.921 33.547 31.823 -0.327 0.000 1.028 17 V HN 0.978 nan 8.190 nan 0.000 0.430 18 V N 3.295 123.126 119.914 -0.139 0.000 2.378 18 V HA 0.475 4.595 4.120 0.000 0.000 0.288 18 V C -1.148 174.825 176.094 -0.202 0.000 1.016 18 V CA -0.621 61.636 62.300 -0.072 0.000 0.840 18 V CB 1.127 32.954 31.823 0.007 0.000 0.994 18 V HN 0.743 nan 8.190 nan 0.000 0.431 19 Y N 2.839 123.191 120.300 0.088 0.000 2.334 19 Y HA 0.457 5.007 4.550 0.000 0.000 0.328 19 Y C 0.514 176.445 175.900 0.052 0.000 1.130 19 Y CA -0.642 57.493 58.100 0.059 0.000 1.163 19 Y CB 1.280 39.761 38.460 0.034 0.000 1.207 19 Y HN 0.499 nan 8.280 nan 0.000 0.471 20 K N 2.242 122.758 120.400 0.194 0.000 2.276 20 K HA 0.722 5.042 4.320 0.000 0.000 0.283 20 K C -0.960 175.641 176.600 0.002 0.000 1.044 20 K CA -0.171 56.151 56.287 0.059 0.000 0.944 20 K CB 0.407 32.855 32.500 -0.087 0.000 1.012 20 K HN 0.821 nan 8.250 nan 0.000 0.472 21 A N 4.032 126.823 122.820 -0.048 0.000 2.532 21 A HA 0.648 4.968 4.320 0.000 0.000 0.290 21 A C -1.401 176.192 177.584 0.015 0.000 1.143 21 A CA -0.948 51.072 52.037 -0.027 0.000 0.728 21 A CB 1.558 20.494 19.000 -0.106 0.000 1.317 21 A HN 0.826 nan 8.150 nan 0.000 0.414 22 R N 1.050 121.616 120.500 0.110 0.000 2.575 22 R HA 0.290 4.630 4.340 0.000 0.000 0.293 22 R C -1.214 175.208 176.300 0.203 0.000 0.983 22 R CA -0.652 55.517 56.100 0.116 0.000 0.887 22 R CB 1.165 31.483 30.300 0.031 0.000 1.184 22 R HN 0.798 nan 8.270 nan 0.000 0.445 23 N N 3.617 122.408 118.700 0.151 0.000 2.427 23 N HA -0.022 4.718 4.740 0.000 0.000 0.269 23 N C 0.182 175.648 175.510 -0.073 0.000 1.235 23 N CA 0.457 53.474 53.050 -0.055 0.000 0.934 23 N CB 0.944 39.390 38.487 -0.068 0.000 1.121 23 N HN 0.624 nan 8.380 nan 0.000 0.480 24 K N 3.001 123.334 120.400 -0.111 0.000 2.281 24 K HA -0.102 4.218 4.320 0.000 0.000 0.203 24 K C 1.366 177.919 176.600 -0.078 0.000 1.046 24 K CA 1.003 57.244 56.287 -0.077 0.000 0.938 24 K CB 0.339 32.789 32.500 -0.082 0.000 0.737 24 K HN 0.542 nan 8.250 nan 0.000 0.458 25 L N -0.255 120.905 121.223 -0.106 0.000 2.286 25 L HA -0.048 4.292 4.340 0.000 0.000 0.203 25 L C 2.501 179.334 176.870 -0.062 0.000 1.068 25 L CA 1.115 55.904 54.840 -0.085 0.000 0.811 25 L CB -0.160 41.837 42.059 -0.104 0.000 0.989 25 L HN 0.245 nan 8.230 nan 0.000 0.467 26 T N -4.413 110.103 114.554 -0.063 0.000 3.037 26 T HA 0.196 4.546 4.350 0.000 0.000 0.251 26 T C 1.494 176.182 174.700 -0.020 0.000 1.079 26 T CA 0.616 62.693 62.100 -0.037 0.000 1.067 26 T CB 0.698 69.546 68.868 -0.032 0.000 0.948 26 T HN 0.400 nan 8.240 nan 0.000 0.496 27 G N 1.432 110.220 108.800 -0.020 0.000 2.179 27 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 27 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 27 G C -0.145 174.763 174.900 0.013 0.000 0.977 27 G CA 0.284 45.382 45.100 -0.004 0.000 0.641 27 G HN 0.874 nan 8.290 nan 0.000 0.533 28 E N 0.353 120.568 120.200 0.025 0.000 2.414 28 E HA 0.360 4.710 4.350 0.000 0.000 0.263 28 E C 0.176 176.817 176.600 0.068 0.000 1.000 28 E CA -0.350 56.079 56.400 0.049 0.000 0.914 28 E CB 0.666 30.403 29.700 0.061 0.000 0.948 28 E HN 0.112 nan 8.360 nan 0.000 0.444 29 V N 5.973 125.915 119.914 0.048 0.000 2.432 29 V HA 0.252 4.372 4.120 0.000 0.000 0.275 29 V C 0.113 176.245 176.094 0.063 0.000 1.043 29 V CA -0.239 62.066 62.300 0.007 0.000 0.925 29 V CB 1.024 32.801 31.823 -0.076 0.000 0.985 29 V HN 0.543 nan 8.190 nan 0.000 0.466 30 V N 2.696 122.644 119.914 0.056 0.000 3.102 30 V HA 1.006 5.126 4.120 0.000 0.000 0.312 30 V C -0.203 175.965 176.094 0.123 0.000 1.135 30 V CA -1.087 61.279 62.300 0.109 0.000 1.022 30 V CB 2.078 33.944 31.823 0.073 0.000 1.056 30 V HN 0.940 nan 8.190 nan 0.000 0.436 31 A N 2.967 125.909 122.820 0.203 0.000 2.256 31 A HA 0.794 5.114 4.320 0.000 0.000 0.317 31 A C -0.490 177.196 177.584 0.170 0.000 1.318 31 A CA -0.570 51.597 52.037 0.217 0.000 0.894 31 A CB 0.159 19.291 19.000 0.220 0.000 1.165 31 A HN 0.921 nan 8.150 nan 0.000 0.525 32 L N 2.548 123.836 121.223 0.109 0.000 2.265 32 L HA 0.355 4.695 4.340 0.000 0.000 0.288 32 L C 0.470 177.488 176.870 0.246 0.000 1.058 32 L CA -0.332 54.584 54.840 0.126 0.000 0.809 32 L CB 1.169 43.243 42.059 0.026 0.000 1.179 32 L HN 0.737 nan 8.230 nan 0.000 0.429 33 K N 4.633 125.206 120.400 0.288 0.000 2.281 33 K HA 0.232 4.552 4.320 0.000 0.000 0.272 33 K C -0.499 176.251 176.600 0.250 0.000 1.048 33 K CA -0.591 55.844 56.287 0.246 0.000 0.898 33 K CB 0.837 33.470 32.500 0.223 0.000 1.128 33 K HN 0.358 nan 8.250 nan 0.000 0.460 34 K N 6.659 127.195 120.400 0.227 0.000 2.292 34 K HA 0.261 4.581 4.320 0.000 0.000 0.270 34 K C -0.926 175.680 176.600 0.010 0.000 1.062 34 K CA -0.490 55.857 56.287 0.100 0.000 0.916 34 K CB 0.502 33.160 32.500 0.263 0.000 1.166 34 K HN 0.595 nan 8.250 nan 0.000 0.458 35 I N 4.652 125.179 120.570 -0.071 0.000 2.353 35 I HA 0.301 4.471 4.170 0.000 0.000 0.293 35 I C 0.349 176.401 176.117 -0.107 0.000 0.992 35 I CA -0.838 60.436 61.300 -0.043 0.000 1.268 35 I CB 1.401 39.387 38.000 -0.023 0.000 1.387 35 I HN 0.432 nan 8.210 nan 0.000 0.478 36 R N 6.263 126.725 120.500 -0.064 0.000 2.297 36 R HA 0.559 4.899 4.340 0.000 0.000 0.308 36 R C -0.948 175.326 176.300 -0.043 0.000 1.029 36 R CA -0.695 55.368 56.100 -0.061 0.000 0.929 36 R CB 1.166 31.444 30.300 -0.037 0.000 1.046 36 R HN 0.512 nan 8.270 nan 0.000 0.461 37 L N 2.321 123.522 121.223 -0.037 0.000 2.282 37 L HA 0.173 4.513 4.340 0.000 0.000 0.288 37 L C 0.105 176.975 176.870 0.001 0.000 1.033 37 L CA -0.702 54.129 54.840 -0.016 0.000 0.807 37 L CB 1.360 43.418 42.059 -0.001 0.000 1.209 37 L HN 0.471 nan 8.230 nan 0.000 0.423 38 D N 2.083 122.485 120.400 0.004 0.000 2.359 38 D HA 0.032 4.672 4.640 0.000 0.000 0.250 38 D C 0.730 177.040 176.300 0.018 0.000 1.264 38 D CA 0.023 54.029 54.000 0.009 0.000 0.911 38 D CB 1.025 41.829 40.800 0.006 0.000 1.056 38 D HN 0.465 nan 8.370 nan 0.000 0.499 39 T N 2.891 117.458 114.554 0.021 0.000 3.129 39 T HA -0.031 4.319 4.350 0.000 0.000 0.251 39 T C 1.223 175.936 174.700 0.022 0.000 1.117 39 T CA 0.339 62.456 62.100 0.028 0.000 1.034 39 T CB 0.145 69.031 68.868 0.029 0.000 0.968 39 T HN 0.634 nan 8.240 nan 0.000 0.526 40 E N 0.279 120.489 120.200 0.017 0.000 2.536 40 E HA 0.051 4.401 4.350 0.000 0.000 0.220 40 E C 1.292 177.899 176.600 0.012 0.000 0.876 40 E CA 0.263 56.671 56.400 0.013 0.000 1.190 40 E CB 0.281 29.987 29.700 0.010 0.000 1.191 40 E HN 0.431 nan 8.360 nan 0.000 0.557 41 T N -2.555 112.006 114.554 0.011 0.000 3.130 41 T HA 0.244 4.594 4.350 0.000 0.000 0.288 41 T C 0.982 175.688 174.700 0.010 0.000 0.936 41 T CA 0.015 62.120 62.100 0.009 0.000 0.897 41 T CB 0.613 69.484 68.868 0.006 0.000 1.178 41 T HN 0.138 nan 8.240 nan 0.000 0.543 42 E N 0.941 121.149 120.200 0.013 0.000 2.940 42 E HA 0.478 4.828 4.350 0.000 0.000 0.203 42 E C 1.188 177.799 176.600 0.019 0.000 0.995 42 E CA 0.684 57.092 56.400 0.014 0.000 1.396 42 E CB 0.590 30.296 29.700 0.011 0.000 1.310 42 E HN 0.513 nan 8.360 nan 0.000 0.613 43 G N 1.065 109.880 108.800 0.025 0.000 2.593 43 G HA2 -0.273 3.687 3.960 0.000 0.000 0.237 43 G HA3 -0.273 3.687 3.960 0.000 0.000 0.237 43 G C -0.323 174.590 174.900 0.022 0.000 1.312 43 G CA -0.259 44.863 45.100 0.037 0.000 0.896 43 G HN 0.350 nan 8.290 nan 0.000 0.574 44 V N 3.161 123.089 119.914 0.023 0.000 2.493 44 V HA 0.294 4.414 4.120 0.000 0.000 0.292 44 V C -1.158 174.935 176.094 -0.001 0.000 1.016 44 V CA 0.021 62.313 62.300 -0.014 0.000 1.097 44 V CB 0.639 32.449 31.823 -0.022 0.000 0.947 44 V HN 0.657 nan 8.190 nan 0.000 0.479 45 P HA 0.117 nan 4.420 nan 0.000 0.266 45 P C 1.021 178.333 177.300 0.019 0.000 1.195 45 P CA 0.126 63.233 63.100 0.012 0.000 0.768 45 P CB 0.582 32.291 31.700 0.015 0.000 0.838 46 S N 1.500 117.217 115.700 0.028 0.000 2.389 46 S HA -0.214 4.256 4.470 0.000 0.000 0.231 46 S C 1.830 176.453 174.600 0.039 0.000 1.052 46 S CA 2.297 60.520 58.200 0.038 0.000 1.053 46 S CB -1.028 62.202 63.200 0.050 0.000 0.886 46 S HN 0.792 nan 8.310 nan 0.000 0.456 47 T N 0.021 114.597 114.554 0.037 0.000 2.904 47 T HA 0.135 4.485 4.350 0.000 0.000 0.267 47 T C 1.844 176.565 174.700 0.034 0.000 1.059 47 T CA 1.081 63.200 62.100 0.033 0.000 1.137 47 T CB -0.444 68.440 68.868 0.028 0.000 0.879 47 T HN 0.361 nan 8.240 nan 0.000 0.467 48 A N 1.727 124.564 122.820 0.028 0.000 1.929 48 A HA 0.162 4.482 4.320 0.000 0.000 0.216 48 A C 2.368 179.964 177.584 0.019 0.000 1.176 48 A CA 0.894 52.945 52.037 0.023 0.000 0.628 48 A CB -0.620 18.378 19.000 -0.003 0.000 0.816 48 A HN 0.448 nan 8.150 nan 0.000 0.444 49 I N 0.233 120.815 120.570 0.019 0.000 2.208 49 I HA -0.224 3.946 4.170 0.000 0.000 0.245 49 I C 2.541 178.677 176.117 0.031 0.000 1.097 49 I CA 1.503 62.816 61.300 0.022 0.000 1.363 49 I CB -1.137 36.879 38.000 0.026 0.000 1.051 49 I HN 0.396 nan 8.210 nan 0.000 0.413 50 R N 0.248 120.773 120.500 0.042 0.000 2.075 50 R HA -0.121 4.219 4.340 0.000 0.000 0.226 50 R C 2.086 178.426 176.300 0.067 0.000 1.114 50 R CA 0.956 57.089 56.100 0.055 0.000 0.972 50 R CB -0.337 29.999 30.300 0.060 0.000 0.869 50 R HN 0.434 nan 8.270 nan 0.000 0.437 51 E N 1.684 121.929 120.200 0.075 0.000 2.017 51 E HA -0.164 4.186 4.350 0.000 0.000 0.193 51 E C 2.016 178.641 176.600 0.042 0.000 0.997 51 E CA 1.221 57.685 56.400 0.107 0.000 0.804 51 E CB -0.090 29.692 29.700 0.137 0.000 0.757 51 E HN 0.204 nan 8.360 nan 0.000 0.448 52 I N 1.209 121.793 120.570 0.023 0.000 2.163 52 I HA -0.309 3.861 4.170 0.000 0.000 0.243 52 I C 2.771 178.871 176.117 -0.028 0.000 1.085 52 I CA 1.577 62.863 61.300 -0.024 0.000 1.347 52 I CB -0.533 37.453 38.000 -0.025 0.000 1.044 52 I HN 0.279 nan 8.210 nan 0.000 0.408 53 S N 1.117 116.813 115.700 -0.005 0.000 2.383 53 S HA -0.083 4.387 4.470 0.000 0.000 0.227 53 S C 1.965 176.559 174.600 -0.008 0.000 1.026 53 S CA 0.848 59.046 58.200 -0.003 0.000 0.981 53 S CB -0.711 62.496 63.200 0.012 0.000 0.818 53 S HN 0.409 nan 8.310 nan 0.000 0.472 54 L N -0.094 121.126 121.223 -0.006 0.000 2.095 54 L HA 0.104 4.444 4.340 0.000 0.000 0.204 54 L C 2.506 179.318 176.870 -0.097 0.000 1.080 54 L CA 0.392 55.225 54.840 -0.012 0.000 0.759 54 L CB -0.554 41.536 42.059 0.051 0.000 0.914 54 L HN 0.265 nan 8.230 nan 0.000 0.439 55 L N 0.278 121.397 121.223 -0.174 0.000 2.079 55 L HA -0.207 4.133 4.340 0.000 0.000 0.210 55 L C 2.555 179.353 176.870 -0.120 0.000 1.081 55 L CA 1.677 56.372 54.840 -0.241 0.000 0.752 55 L CB -0.785 41.140 42.059 -0.223 0.000 0.896 55 L HN 0.154 nan 8.230 nan 0.000 0.433 56 K N -0.275 120.080 120.400 -0.076 0.000 2.211 56 K HA -0.177 4.143 4.320 0.000 0.000 0.204 56 K C 1.736 178.332 176.600 -0.005 0.000 1.047 56 K CA 1.244 57.505 56.287 -0.043 0.000 0.935 56 K CB -0.115 32.367 32.500 -0.031 0.000 0.728 56 K HN 0.556 nan 8.250 nan 0.000 0.452 57 E N 0.234 120.439 120.200 0.009 0.000 2.385 57 E HA 0.036 4.386 4.350 0.000 0.000 0.194 57 E C 0.241 176.922 176.600 0.135 0.000 1.013 57 E CA 0.114 56.554 56.400 0.067 0.000 0.866 57 E CB 0.225 29.964 29.700 0.065 0.000 0.832 57 E HN 0.178 nan 8.360 nan 0.000 0.500 58 L N 2.587 123.858 121.223 0.080 0.000 2.314 58 L HA 0.230 4.570 4.340 0.000 0.000 0.275 58 L C -0.055 176.887 176.870 0.121 0.000 1.068 58 L CA -0.309 54.640 54.840 0.182 0.000 0.894 58 L CB 0.279 42.343 42.059 0.008 0.000 1.275 58 L HN -0.019 nan 8.230 nan 0.000 0.432 59 N N 3.586 122.390 118.700 0.174 0.000 2.501 59 N HA 0.238 4.978 4.740 0.000 0.000 0.245 59 N C -1.367 173.945 175.510 -0.329 0.000 0.974 59 N CA -0.245 52.782 53.050 -0.039 0.000 0.941 59 N CB 0.759 39.254 38.487 0.013 0.000 1.122 59 N HN 0.535 nan 8.380 nan 0.000 0.507 60 H N 3.786 122.589 119.070 -0.445 0.000 3.094 60 H HA 0.208 4.764 4.556 0.000 0.000 0.346 60 H C -2.344 172.797 175.328 -0.313 0.000 1.238 60 H CA -0.901 54.789 56.048 -0.597 0.000 1.209 60 H CB 2.533 31.705 29.762 -0.983 0.000 1.911 60 H HN 0.347 nan 8.280 nan 0.000 0.540 61 P HA -0.013 nan 4.420 nan 0.000 0.223 61 P C 0.037 177.343 177.300 0.011 0.000 1.151 61 P CA 0.936 63.950 63.100 -0.144 0.000 0.787 61 P CB 0.453 32.020 31.700 -0.221 0.000 0.788 62 N N -0.513 118.314 118.700 0.211 0.000 2.279 62 N HA 0.229 4.969 4.740 0.000 0.000 0.226 62 N C 0.022 175.540 175.510 0.013 0.000 1.126 62 N CA -0.109 52.983 53.050 0.069 0.000 0.846 62 N CB 0.107 38.602 38.487 0.014 0.000 1.050 62 N HN 0.175 nan 8.380 nan 0.000 0.502 63 I N 0.375 120.966 120.570 0.034 0.000 2.498 63 I HA 0.217 4.387 4.170 0.000 0.000 0.290 63 I C -0.138 175.994 176.117 0.024 0.000 1.032 63 I CA -1.133 60.190 61.300 0.038 0.000 1.073 63 I CB 2.213 40.218 38.000 0.008 0.000 1.251 63 I HN -0.195 nan 8.210 nan 0.000 0.426 64 V N 6.674 126.625 119.914 0.061 0.000 2.872 64 V HA 0.079 4.199 4.120 0.000 0.000 0.307 64 V C 0.199 176.345 176.094 0.086 0.000 1.072 64 V CA 0.186 62.526 62.300 0.067 0.000 1.148 64 V CB 0.721 32.592 31.823 0.080 0.000 0.954 64 V HN 0.644 nan 8.190 nan 0.000 0.490 65 K N 5.640 126.099 120.400 0.098 0.000 2.211 65 K HA 0.405 4.725 4.320 0.000 0.000 0.275 65 K C -0.810 175.824 176.600 0.057 0.000 1.024 65 K CA -0.664 55.654 56.287 0.050 0.000 0.887 65 K CB 1.594 34.104 32.500 0.016 0.000 1.084 65 K HN 0.531 nan 8.250 nan 0.000 0.463 66 L N 5.053 126.217 121.223 -0.099 0.000 2.260 66 L HA 0.177 4.517 4.340 0.000 0.000 0.289 66 L C 0.215 176.948 176.870 -0.228 0.000 1.057 66 L CA 0.308 54.922 54.840 -0.376 0.000 0.811 66 L CB 0.474 42.272 42.059 -0.435 0.000 1.184 66 L HN 0.727 nan 8.230 nan 0.000 0.429 67 L N 3.043 124.139 121.223 -0.212 0.000 2.408 67 L HA 0.388 4.728 4.340 0.000 0.000 0.215 67 L C -0.058 176.769 176.870 -0.070 0.000 1.081 67 L CA 0.222 55.010 54.840 -0.087 0.000 0.840 67 L CB 0.068 42.116 42.059 -0.018 0.000 1.002 67 L HN 0.656 nan 8.230 nan 0.000 0.468 68 D N -2.185 118.147 120.400 -0.113 0.000 2.742 68 D HA 0.364 5.004 4.640 0.000 0.000 0.262 68 D C -1.590 174.669 176.300 -0.068 0.000 1.240 68 D CA -0.151 53.819 54.000 -0.050 0.000 0.752 68 D CB 2.409 43.228 40.800 0.031 0.000 1.290 68 D HN -0.360 nan 8.370 nan 0.000 0.420 69 V N 1.935 121.845 119.914 -0.008 0.000 2.524 69 V HA 0.508 4.628 4.120 0.000 0.000 0.297 69 V C -0.628 175.521 176.094 0.092 0.000 1.035 69 V CA -0.587 61.725 62.300 0.020 0.000 0.867 69 V CB 1.464 33.287 31.823 -0.001 0.000 1.004 69 V HN 0.400 nan 8.190 nan 0.000 0.426 70 I N 4.597 125.259 120.570 0.153 0.000 2.330 70 I HA 0.445 4.615 4.170 0.000 0.000 0.289 70 I C -0.221 176.056 176.117 0.267 0.000 1.001 70 I CA -0.304 61.122 61.300 0.210 0.000 1.193 70 I CB 1.069 39.210 38.000 0.234 0.000 1.345 70 I HN 0.552 nan 8.210 nan 0.000 0.461 71 H N 5.807 124.944 119.070 0.111 0.000 2.691 71 H HA 0.446 5.002 4.556 0.000 0.000 0.281 71 H C -0.047 175.328 175.328 0.080 0.000 1.121 71 H CA -0.555 55.541 56.048 0.079 0.000 1.254 71 H CB 0.474 30.264 29.762 0.047 0.000 1.390 71 H HN 0.754 nan 8.280 nan 0.000 0.491 72 T N 0.925 115.679 114.554 0.334 0.000 2.865 72 T HA 0.075 4.425 4.350 0.000 0.000 0.302 72 T C 1.604 176.395 174.700 0.151 0.000 1.078 72 T CA -0.260 61.955 62.100 0.192 0.000 0.942 72 T CB 0.783 69.766 68.868 0.191 0.000 1.387 72 T HN 0.506 nan 8.240 nan 0.000 0.557 73 E N 1.848 122.099 120.200 0.086 0.000 2.049 73 E HA -0.255 4.095 4.350 0.000 0.000 0.198 73 E C 1.171 177.821 176.600 0.084 0.000 1.007 73 E CA 2.265 58.697 56.400 0.054 0.000 0.809 73 E CB -0.809 28.916 29.700 0.041 0.000 0.749 73 E HN 0.941 nan 8.360 nan 0.000 0.450 74 N N -0.588 118.161 118.700 0.082 0.000 2.116 74 N HA 0.157 4.897 4.740 0.000 0.000 0.230 74 N C -0.388 175.132 175.510 0.016 0.000 1.326 74 N CA -0.369 52.715 53.050 0.058 0.000 0.867 74 N CB 0.842 39.351 38.487 0.036 0.000 1.174 74 N HN -0.084 nan 8.380 nan 0.000 0.506 75 K N 1.138 121.543 120.400 0.008 0.000 2.316 75 K HA 0.447 4.767 4.320 0.000 0.000 0.251 75 K C -1.673 174.827 176.600 -0.167 0.000 0.934 75 K CA -0.793 55.404 56.287 -0.148 0.000 0.802 75 K CB 2.814 35.163 32.500 -0.251 0.000 1.171 75 K HN -0.036 nan 8.250 nan 0.000 0.426 76 L N 3.225 124.269 121.223 -0.299 0.000 2.349 76 L HA 0.413 4.753 4.340 0.000 0.000 0.278 76 L C -1.805 174.907 176.870 -0.264 0.000 0.996 76 L CA -0.339 54.355 54.840 -0.243 0.000 0.825 76 L CB 0.679 42.572 42.059 -0.276 0.000 1.243 76 L HN 0.501 nan 8.230 nan 0.000 0.412 77 Y N 5.526 125.838 120.300 0.021 0.000 2.331 77 Y HA 0.545 5.095 4.550 0.000 0.000 0.338 77 Y C -0.322 175.582 175.900 0.006 0.000 0.976 77 Y CA -0.770 57.349 58.100 0.033 0.000 1.137 77 Y CB 1.432 39.911 38.460 0.033 0.000 1.172 77 Y HN 0.360 nan 8.280 nan 0.000 0.478 78 L N 4.899 126.224 121.223 0.170 0.000 2.282 78 L HA 0.512 4.852 4.340 0.000 0.000 0.288 78 L C -0.632 176.245 176.870 0.013 0.000 1.033 78 L CA -1.068 53.789 54.840 0.028 0.000 0.807 78 L CB 1.077 43.169 42.059 0.054 0.000 1.209 78 L HN 0.324 nan 8.230 nan 0.000 0.423 79 V N 4.027 123.854 119.914 -0.145 0.000 2.383 79 V HA 0.417 4.537 4.120 0.000 0.000 0.275 79 V C -0.211 175.750 176.094 -0.223 0.000 1.036 79 V CA -0.115 62.123 62.300 -0.103 0.000 0.889 79 V CB 1.068 32.859 31.823 -0.052 0.000 0.985 79 V HN 0.416 nan 8.190 nan 0.000 0.459 80 F N 2.005 121.955 119.950 0.000 0.000 2.598 80 F HA 0.486 5.013 4.527 0.000 0.000 0.327 80 F C 0.629 176.444 175.800 0.024 0.000 1.057 80 F CA -1.049 56.954 58.000 0.004 0.000 0.957 80 F CB 1.423 40.418 39.000 -0.008 0.000 1.278 80 F HN 0.601 nan 8.300 nan 0.000 0.484 81 E N 0.850 121.192 120.200 0.238 0.000 2.398 81 E HA 0.136 4.486 4.350 0.000 0.000 0.263 81 E C -1.246 175.443 176.600 0.149 0.000 1.046 81 E CA -0.377 56.118 56.400 0.158 0.000 0.908 81 E CB 0.917 30.675 29.700 0.096 0.000 0.963 81 E HN 0.488 nan 8.360 nan 0.000 0.431 82 F N 3.165 123.104 119.950 -0.019 0.000 2.404 82 F HA 0.390 4.917 4.527 0.000 0.000 0.345 82 F C -1.307 174.369 175.800 -0.206 0.000 1.110 82 F CA -0.687 57.254 58.000 -0.099 0.000 1.130 82 F CB 0.570 39.505 39.000 -0.108 0.000 1.129 82 F HN 0.387 nan 8.300 nan 0.000 0.500 83 L N 5.579 126.171 121.223 -1.053 0.000 2.323 83 L HA 0.368 4.708 4.340 0.000 0.000 0.265 83 L C 0.230 176.307 176.870 -1.321 0.000 1.012 83 L CA -0.470 53.781 54.840 -0.981 0.000 0.820 83 L CB 1.916 43.715 42.059 -0.433 0.000 1.334 83 L HN 0.651 nan 8.230 nan 0.000 0.427 84 H N -1.146 117.611 119.070 -0.522 0.000 2.465 84 H HA 0.235 4.791 4.556 0.000 0.000 0.289 84 H C -0.031 175.192 175.328 -0.174 0.000 1.022 84 H CA 0.301 56.185 56.048 -0.272 0.000 1.340 84 H CB 0.342 30.088 29.762 -0.027 0.000 1.437 84 H HN 0.439 nan 8.280 nan 0.000 0.539 85 Q N 0.848 120.607 119.800 -0.068 0.000 2.416 85 Q HA 0.266 4.606 4.340 0.000 0.000 0.281 85 Q C -1.761 174.175 176.000 -0.107 0.000 1.067 85 Q CA -0.955 54.822 55.803 -0.045 0.000 0.809 85 Q CB 2.012 30.760 28.738 0.016 0.000 1.418 85 Q HN 0.302 nan 8.270 nan 0.000 0.411 86 D N 0.938 121.297 120.400 -0.067 0.000 2.326 86 D HA 0.192 4.832 4.640 0.000 0.000 0.251 86 D C 0.341 176.631 176.300 -0.017 0.000 1.023 86 D CA -0.706 53.244 54.000 -0.083 0.000 0.966 86 D CB 0.786 41.538 40.800 -0.080 0.000 1.156 86 D HN 0.472 nan 8.370 nan 0.000 0.494 87 L N 0.266 121.462 121.223 -0.045 0.000 2.362 87 L HA 0.004 4.344 4.340 0.000 0.000 0.219 87 L C 1.882 178.828 176.870 0.127 0.000 1.134 87 L CA 1.565 56.431 54.840 0.044 0.000 0.807 87 L CB -0.685 41.354 42.059 -0.033 0.000 0.927 87 L HN 0.597 nan 8.230 nan 0.000 0.447 88 K N -0.258 120.184 120.400 0.070 0.000 2.007 88 K HA -0.167 4.153 4.320 0.000 0.000 0.206 88 K C 2.013 178.674 176.600 0.102 0.000 1.047 88 K CA 1.383 57.719 56.287 0.082 0.000 0.937 88 K CB 0.002 32.531 32.500 0.048 0.000 0.718 88 K HN 0.290 nan 8.250 nan 0.000 0.438 89 K N -0.286 120.172 120.400 0.097 0.000 2.209 89 K HA -0.141 4.179 4.320 0.000 0.000 0.204 89 K C 1.965 178.649 176.600 0.141 0.000 1.048 89 K CA 1.099 57.444 56.287 0.097 0.000 0.940 89 K CB -0.175 32.375 32.500 0.083 0.000 0.729 89 K HN 0.126 nan 8.250 nan 0.000 0.451 90 F N 1.322 121.290 119.950 0.031 0.000 2.206 90 F HA -0.020 4.507 4.527 0.000 0.000 0.298 90 F C 1.937 177.774 175.800 0.062 0.000 1.090 90 F CA 1.165 59.196 58.000 0.051 0.000 1.323 90 F CB 0.012 39.056 39.000 0.073 0.000 1.028 90 F HN -0.113 nan 8.300 nan 0.000 0.492 91 M N -0.434 119.234 119.600 0.114 0.000 2.476 91 M HA -0.136 4.344 4.480 0.000 0.000 0.262 91 M C 1.159 177.444 176.300 -0.024 0.000 1.079 91 M CA 1.288 56.605 55.300 0.029 0.000 1.104 91 M CB -0.372 32.292 32.600 0.107 0.000 1.409 91 M HN 0.050 nan 8.290 nan 0.000 0.467 92 D N 0.423 120.818 120.400 -0.008 0.000 2.162 92 D HA 0.041 4.681 4.640 0.000 0.000 0.205 92 D C 1.927 178.197 176.300 -0.050 0.000 0.964 92 D CA 1.120 55.113 54.000 -0.011 0.000 0.847 92 D CB 0.124 40.935 40.800 0.019 0.000 0.988 92 D HN 0.237 nan 8.370 nan 0.000 0.480 93 A N -0.262 122.509 122.820 -0.081 0.000 2.067 93 A HA -0.035 4.285 4.320 0.000 0.000 0.219 93 A C 1.786 179.279 177.584 -0.152 0.000 1.158 93 A CA 1.079 53.058 52.037 -0.097 0.000 0.661 93 A CB -0.045 18.902 19.000 -0.089 0.000 0.801 93 A HN 0.114 nan 8.150 nan 0.000 0.452 94 S N -0.596 114.967 115.700 -0.230 0.000 2.583 94 S HA 0.455 4.925 4.470 0.000 0.000 0.239 94 S C 1.548 176.072 174.600 -0.126 0.000 0.966 94 S CA 0.252 58.316 58.200 -0.228 0.000 0.973 94 S CB 0.374 63.336 63.200 -0.396 0.000 0.794 94 S HN 0.688 nan 8.310 nan 0.000 0.463 95 A N 2.261 125.030 122.820 -0.085 0.000 1.872 95 A HA -0.007 4.313 4.320 0.000 0.000 0.214 95 A C 2.029 179.586 177.584 -0.046 0.000 1.187 95 A CA 1.183 53.188 52.037 -0.053 0.000 0.614 95 A CB -0.720 18.260 19.000 -0.034 0.000 0.826 95 A HN 0.585 nan 8.150 nan 0.000 0.442 96 L N -2.092 119.106 121.223 -0.043 0.000 1.970 96 L HA -0.124 4.216 4.340 0.000 0.000 0.212 96 L C 2.352 179.199 176.870 -0.038 0.000 1.071 96 L CA 2.350 57.169 54.840 -0.035 0.000 0.751 96 L CB -1.756 40.285 42.059 -0.029 0.000 0.889 96 L HN 0.194 nan 8.230 nan 0.000 0.432 97 T N -0.242 114.285 114.554 -0.044 0.000 2.851 97 T HA 0.324 4.674 4.350 0.000 0.000 0.262 97 T C 0.962 175.636 174.700 -0.043 0.000 1.043 97 T CA 0.893 62.968 62.100 -0.041 0.000 1.140 97 T CB -0.525 68.318 68.868 -0.042 0.000 0.872 97 T HN 0.842 nan 8.240 nan 0.000 0.446 98 G N 0.834 109.601 108.800 -0.056 0.000 2.675 98 G HA2 -0.097 3.863 3.960 0.000 0.000 0.686 98 G HA3 -0.097 3.863 3.960 0.000 0.000 0.686 98 G C -0.685 174.185 174.900 -0.051 0.000 1.215 98 G CA -1.026 44.045 45.100 -0.048 0.000 0.777 98 G HN 0.432 nan 8.290 nan 0.000 0.638 99 I N 2.475 123.029 120.570 -0.028 0.000 2.496 99 I HA 0.207 4.377 4.170 0.000 0.000 0.285 99 I C -1.492 174.644 176.117 0.032 0.000 1.080 99 I CA -1.600 59.707 61.300 0.012 0.000 1.404 99 I CB 1.106 39.173 38.000 0.112 0.000 1.403 99 I HN 0.243 nan 8.210 nan 0.000 0.539 100 P HA 0.043 nan 4.420 nan 0.000 0.265 100 P C 0.684 177.999 177.300 0.025 0.000 1.193 100 P CA -0.040 63.070 63.100 0.017 0.000 0.765 100 P CB 0.534 32.240 31.700 0.011 0.000 0.823 101 L N 5.135 126.375 121.223 0.027 0.000 2.081 101 L HA -0.164 4.176 4.340 0.000 0.000 0.212 101 L C -0.598 176.291 176.870 0.032 0.000 1.080 101 L CA 1.926 56.797 54.840 0.052 0.000 0.754 101 L CB -1.942 40.139 42.059 0.037 0.000 0.893 101 L HN 0.431 nan 8.230 nan 0.000 0.433 102 P HA -0.171 nan 4.420 nan 0.000 0.218 102 P C 1.767 179.037 177.300 -0.049 0.000 1.149 102 P CA 1.052 64.128 63.100 -0.040 0.000 0.817 102 P CB 0.114 31.786 31.700 -0.045 0.000 0.785 103 L N -1.017 120.159 121.223 -0.079 0.000 2.131 103 L HA -0.018 4.322 4.340 0.000 0.000 0.206 103 L C 2.159 178.900 176.870 -0.215 0.000 1.087 103 L CA 1.411 56.110 54.840 -0.235 0.000 0.767 103 L CB -0.941 40.958 42.059 -0.268 0.000 0.917 103 L HN -0.141 nan 8.230 nan 0.000 0.441 104 I N -0.518 120.056 120.570 0.007 0.000 2.208 104 I HA -0.345 3.825 4.170 0.000 0.000 0.245 104 I C 2.506 178.779 176.117 0.259 0.000 1.097 104 I CA 1.516 62.925 61.300 0.183 0.000 1.363 104 I CB -0.374 37.792 38.000 0.277 0.000 1.051 104 I HN 0.305 nan 8.210 nan 0.000 0.413 105 K N 0.520 121.061 120.400 0.235 0.000 2.057 105 K HA -0.194 4.126 4.320 0.000 0.000 0.206 105 K C 2.372 179.205 176.600 0.388 0.000 1.050 105 K CA 1.695 58.172 56.287 0.317 0.000 0.935 105 K CB -0.073 32.429 32.500 0.003 0.000 0.715 105 K HN 0.108 nan 8.250 nan 0.000 0.439 106 S N -0.317 115.505 115.700 0.204 0.000 2.354 106 S HA -0.184 4.286 4.470 0.000 0.000 0.219 106 S C 1.915 176.746 174.600 0.384 0.000 1.035 106 S CA 1.270 59.611 58.200 0.234 0.000 1.037 106 S CB -0.490 62.755 63.200 0.074 0.000 0.956 106 S HN 0.381 nan 8.310 nan 0.000 0.428 107 Y N 1.265 121.661 120.300 0.160 0.000 2.069 107 Y HA -0.128 4.422 4.550 0.000 0.000 0.278 107 Y C 2.430 178.395 175.900 0.107 0.000 1.175 107 Y CA 1.038 59.199 58.100 0.101 0.000 1.134 107 Y CB -1.466 37.041 38.460 0.077 0.000 0.965 107 Y HN 0.322 nan 8.280 nan 0.000 0.498 108 L N -0.896 120.531 121.223 0.340 0.000 2.131 108 L HA -0.194 4.146 4.340 0.000 0.000 0.210 108 L C 2.191 179.194 176.870 0.222 0.000 1.092 108 L CA 1.360 56.326 54.840 0.211 0.000 0.759 108 L CB -1.051 41.052 42.059 0.074 0.000 0.903 108 L HN 0.111 nan 8.230 nan 0.000 0.435 109 F N 0.154 120.171 119.950 0.113 0.000 2.102 109 F HA -0.213 4.314 4.527 0.000 0.000 0.298 109 F C 2.469 178.136 175.800 -0.221 0.000 1.105 109 F CA 1.911 59.677 58.000 -0.390 0.000 1.239 109 F CB -0.360 38.500 39.000 -0.234 0.000 0.991 109 F HN 0.195 nan 8.300 nan 0.000 0.474 110 Q N 0.069 119.851 119.800 -0.031 0.000 2.046 110 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 110 Q C 2.372 178.268 176.000 -0.173 0.000 0.975 110 Q CA 2.001 57.733 55.803 -0.119 0.000 0.836 110 Q CB -0.374 28.374 28.738 0.016 0.000 0.896 110 Q HN 0.432 nan 8.270 nan 0.000 0.428 111 L N 0.216 121.366 121.223 -0.122 0.000 2.081 111 L HA -0.235 4.105 4.340 0.000 0.000 0.212 111 L C 2.196 178.946 176.870 -0.200 0.000 1.080 111 L CA 1.006 55.754 54.840 -0.153 0.000 0.754 111 L CB -0.436 41.550 42.059 -0.121 0.000 0.893 111 L HN 0.307 nan 8.230 nan 0.000 0.433 112 L N -1.074 120.013 121.223 -0.227 0.000 2.217 112 L HA -0.174 4.166 4.340 0.000 0.000 0.211 112 L C 2.641 179.332 176.870 -0.298 0.000 1.107 112 L CA 0.867 55.557 54.840 -0.250 0.000 0.783 112 L CB -0.319 41.590 42.059 -0.250 0.000 0.919 112 L HN 0.332 nan 8.230 nan 0.000 0.442 113 Q N -0.331 119.248 119.800 -0.368 0.000 2.020 113 Q HA -0.118 4.222 4.340 0.000 0.000 0.198 113 Q C 2.329 178.081 176.000 -0.413 0.000 0.974 113 Q CA 1.458 57.059 55.803 -0.336 0.000 0.829 113 Q CB -0.386 28.170 28.738 -0.304 0.000 0.894 113 Q HN 0.570 nan 8.270 nan 0.000 0.433 114 G N 0.917 109.447 108.800 -0.451 0.000 2.432 114 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 114 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 114 G C 1.350 176.086 174.900 -0.273 0.000 1.135 114 G CA 0.561 45.351 45.100 -0.516 0.000 0.767 114 G HN 0.207 nan 8.290 nan 0.000 0.550 115 L N 0.955 122.024 121.223 -0.257 0.000 2.131 115 L HA 0.360 4.700 4.340 0.000 0.000 0.206 115 L C 2.982 179.634 176.870 -0.363 0.000 1.087 115 L CA 1.783 56.440 54.840 -0.305 0.000 0.767 115 L CB -0.535 41.318 42.059 -0.345 0.000 0.917 115 L HN 0.191 nan 8.230 nan 0.000 0.441 116 A N -1.190 121.488 122.820 -0.236 0.000 1.969 116 A HA -0.222 4.098 4.320 0.000 0.000 0.218 116 A C 2.203 179.779 177.584 -0.014 0.000 1.169 116 A CA 1.575 53.550 52.037 -0.103 0.000 0.635 116 A CB -1.013 17.951 19.000 -0.059 0.000 0.810 116 A HN 0.502 nan 8.150 nan 0.000 0.445 117 F N 0.200 120.015 119.950 -0.225 0.000 2.113 117 F HA -0.202 4.325 4.527 0.000 0.000 0.297 117 F C 2.519 178.209 175.800 -0.184 0.000 1.103 117 F CA 1.520 59.377 58.000 -0.238 0.000 1.248 117 F CB -0.613 38.132 39.000 -0.426 0.000 0.999 117 F HN 0.306 nan 8.300 nan 0.000 0.475 118 C N 0.058 119.362 119.300 0.007 0.000 2.388 118 C HA -0.263 4.197 4.460 0.000 0.000 0.277 118 C C 2.734 177.863 174.990 0.232 0.000 1.210 118 C CA 1.767 60.852 59.018 0.112 0.000 1.743 118 C CB -1.729 26.142 27.740 0.219 0.000 2.047 118 C HN 0.533 nan 8.230 nan 0.000 0.458 119 H N 0.432 119.584 119.070 0.135 0.000 2.421 119 H HA -0.124 4.432 4.556 0.000 0.000 0.298 119 H C 2.379 177.815 175.328 0.179 0.000 1.087 119 H CA 1.477 57.666 56.048 0.235 0.000 1.330 119 H CB -0.039 29.826 29.762 0.171 0.000 1.388 119 H HN 0.618 nan 8.280 nan 0.000 0.526 120 S N 0.118 115.943 115.700 0.208 0.000 2.527 120 S HA -0.081 4.389 4.470 0.000 0.000 0.222 120 S C 0.765 175.448 174.600 0.138 0.000 0.985 120 S CA 0.433 58.716 58.200 0.139 0.000 0.921 120 S CB -0.025 63.240 63.200 0.109 0.000 0.772 120 S HN 0.428 nan 8.310 nan 0.000 0.529 121 H N 2.154 121.100 119.070 -0.206 0.000 2.503 121 H HA 0.406 4.962 4.556 0.000 0.000 0.296 121 H C 0.258 175.468 175.328 -0.197 0.000 1.097 121 H CA -0.295 55.614 56.048 -0.233 0.000 1.055 121 H CB -0.285 29.289 29.762 -0.313 0.000 1.580 121 H HN 0.500 nan 8.280 nan 0.000 0.546 122 R N -1.576 118.816 120.500 -0.180 0.000 3.322 122 R HA -0.144 4.196 4.340 0.000 0.000 0.253 122 R C -1.456 174.720 176.300 -0.206 0.000 0.987 122 R CA 0.449 56.117 56.100 -0.720 0.000 0.666 122 R CB -3.219 26.517 30.300 -0.940 0.000 1.072 122 R HN 0.094 nan 8.270 nan 0.000 0.447 123 V N 1.415 121.525 119.914 0.326 0.000 2.448 123 V HA 0.450 4.570 4.120 0.000 0.000 0.295 123 V C 0.545 176.971 176.094 0.553 0.000 1.025 123 V CA -0.869 61.689 62.300 0.430 0.000 0.859 123 V CB 1.781 33.798 31.823 0.324 0.000 0.988 123 V HN 0.330 nan 8.190 nan 0.000 0.431 124 L N 4.133 125.592 121.223 0.393 0.000 2.289 124 L HA 0.462 4.802 4.340 0.000 0.000 0.285 124 L C 1.364 178.299 176.870 0.109 0.000 1.049 124 L CA -0.588 54.358 54.840 0.177 0.000 0.804 124 L CB 1.131 43.162 42.059 -0.047 0.000 1.195 124 L HN 0.746 nan 8.230 nan 0.000 0.428 125 H N 4.239 123.303 119.070 -0.010 0.000 2.317 125 H HA 0.037 4.593 4.556 0.000 0.000 0.304 125 H C 0.883 176.077 175.328 -0.224 0.000 1.067 125 H CA 1.478 57.388 56.048 -0.229 0.000 1.352 125 H CB 0.558 30.123 29.762 -0.327 0.000 1.398 125 H HN 0.620 nan 8.280 nan 0.000 0.510 126 R N -0.620 119.916 120.500 0.061 0.000 3.840 126 R HA -0.167 4.173 4.340 0.000 0.000 0.464 126 R C -0.584 175.732 176.300 0.027 0.000 0.986 126 R CA 1.169 57.248 56.100 -0.036 0.000 1.305 126 R CB -1.509 28.631 30.300 -0.267 0.000 1.950 126 R HN 0.339 nan 8.270 nan 0.000 0.526 127 D N 0.403 120.924 120.400 0.201 0.000 3.078 127 D HA 0.237 4.877 4.640 0.000 0.000 0.363 127 D C -0.697 175.610 176.300 0.011 0.000 1.391 127 D CA -0.164 53.899 54.000 0.106 0.000 0.754 127 D CB 0.321 41.135 40.800 0.023 0.000 1.238 127 D HN 0.091 nan 8.370 nan 0.000 0.500 128 L N 2.163 123.292 121.223 -0.158 0.000 2.369 128 L HA 0.310 4.650 4.340 0.000 0.000 0.279 128 L C 0.509 177.153 176.870 -0.377 0.000 1.108 128 L CA 0.272 54.875 54.840 -0.394 0.000 0.852 128 L CB 0.207 42.035 42.059 -0.384 0.000 1.169 128 L HN 0.090 nan 8.230 nan 0.000 0.452 129 K N 2.664 122.816 120.400 -0.413 0.000 2.575 129 K HA 0.451 4.771 4.320 0.000 0.000 0.279 129 K C -2.818 173.570 176.600 -0.353 0.000 0.969 129 K CA -1.668 54.260 56.287 -0.599 0.000 0.868 129 K CB 1.829 34.055 32.500 -0.456 0.000 1.457 129 K HN -0.126 nan 8.250 nan 0.000 0.426 130 P HA -0.256 nan 4.420 nan 0.000 0.217 130 P C 0.835 178.076 177.300 -0.099 0.000 1.148 130 P CA 1.420 64.441 63.100 -0.132 0.000 0.828 130 P CB 0.098 31.787 31.700 -0.019 0.000 0.783 131 Q N -1.598 118.151 119.800 -0.084 0.000 2.488 131 Q HA -0.031 4.309 4.340 0.000 0.000 0.211 131 Q C 0.512 176.449 176.000 -0.105 0.000 0.967 131 Q CA 1.047 56.809 55.803 -0.070 0.000 0.926 131 Q CB -0.804 27.909 28.738 -0.042 0.000 0.992 131 Q HN 0.305 nan 8.270 nan 0.000 0.506 132 N N 0.384 119.001 118.700 -0.138 0.000 2.203 132 N HA 0.266 5.006 4.740 0.000 0.000 0.207 132 N C -0.632 174.777 175.510 -0.169 0.000 1.130 132 N CA 0.098 53.061 53.050 -0.146 0.000 0.861 132 N CB 0.801 39.207 38.487 -0.135 0.000 1.005 132 N HN 0.189 nan 8.380 nan 0.000 0.507 133 L N 1.314 122.430 121.223 -0.177 0.000 2.319 133 L HA 0.504 4.844 4.340 0.000 0.000 0.281 133 L C -0.555 176.194 176.870 -0.201 0.000 1.005 133 L CA -0.536 54.185 54.840 -0.197 0.000 0.828 133 L CB 1.707 43.635 42.059 -0.218 0.000 1.227 133 L HN -0.238 nan 8.230 nan 0.000 0.415 134 L N 5.167 126.268 121.223 -0.204 0.000 2.325 134 L HA 0.660 5.000 4.340 0.000 0.000 0.278 134 L C -0.206 176.517 176.870 -0.244 0.000 1.023 134 L CA -0.753 53.958 54.840 -0.216 0.000 0.811 134 L CB 2.013 43.944 42.059 -0.213 0.000 1.249 134 L HN 0.548 nan 8.230 nan 0.000 0.431 135 I N -0.517 119.907 120.570 -0.244 0.000 2.608 135 I HA 0.584 4.754 4.170 0.000 0.000 0.295 135 I C -0.866 175.198 176.117 -0.090 0.000 1.049 135 I CA -0.771 60.384 61.300 -0.241 0.000 1.063 135 I CB 2.028 39.798 38.000 -0.383 0.000 1.248 135 I HN 0.595 nan 8.210 nan 0.000 0.424 136 N N 1.876 120.572 118.700 -0.008 0.000 2.643 136 N HA 0.355 5.095 4.740 0.000 0.000 0.305 136 N C 0.682 176.185 175.510 -0.012 0.000 1.283 136 N CA -0.107 53.050 53.050 0.178 0.000 0.946 136 N CB 0.203 38.803 38.487 0.188 0.000 1.149 136 N HN 0.735 nan 8.380 nan 0.000 0.600 137 T N -4.058 110.387 114.554 -0.182 0.000 3.067 137 T HA 0.091 4.441 4.350 0.000 0.000 0.261 137 T C 0.676 175.336 174.700 -0.066 0.000 1.110 137 T CA 0.667 62.644 62.100 -0.206 0.000 1.113 137 T CB -0.224 68.427 68.868 -0.361 0.000 0.917 137 T HN 0.414 nan 8.240 nan 0.000 0.499 138 E N 1.334 121.523 120.200 -0.019 0.000 2.482 138 E HA 0.332 4.682 4.350 0.000 0.000 0.196 138 E C 1.482 178.103 176.600 0.035 0.000 1.047 138 E CA 0.534 56.942 56.400 0.014 0.000 0.869 138 E CB -0.462 29.254 29.700 0.027 0.000 0.836 138 E HN 0.671 nan 8.360 nan 0.000 0.520 139 G N -0.501 108.327 108.800 0.048 0.000 2.140 139 G HA2 -0.163 3.797 3.960 0.000 0.000 0.211 139 G HA3 -0.163 3.797 3.960 0.000 0.000 0.211 139 G C 0.154 175.159 174.900 0.175 0.000 1.013 139 G CA -0.042 45.125 45.100 0.111 0.000 0.705 139 G HN 0.472 nan 8.290 nan 0.000 0.508 140 A N -0.334 122.540 122.820 0.090 0.000 2.324 140 A HA 0.889 5.209 4.320 0.000 0.000 0.330 140 A C -0.119 177.420 177.584 -0.075 0.000 1.165 140 A CA -0.435 51.629 52.037 0.045 0.000 0.813 140 A CB 1.371 20.381 19.000 0.017 0.000 1.197 140 A HN 1.343 nan 8.150 nan 0.000 0.484 141 I N 1.002 121.487 120.570 -0.143 0.000 2.569 141 I HA 0.584 4.754 4.170 0.000 0.000 0.296 141 I C -0.871 175.138 176.117 -0.181 0.000 1.028 141 I CA -0.632 60.484 61.300 -0.308 0.000 1.082 141 I CB 1.748 39.376 38.000 -0.621 0.000 1.264 141 I HN 0.701 nan 8.210 nan 0.000 0.429 142 K N 7.231 127.527 120.400 -0.174 0.000 2.464 142 K HA 0.517 4.837 4.320 0.000 0.000 0.253 142 K C -1.416 175.131 176.600 -0.088 0.000 0.933 142 K CA -0.809 55.417 56.287 -0.101 0.000 0.801 142 K CB 2.457 34.918 32.500 -0.065 0.000 1.271 142 K HN 0.505 nan 8.250 nan 0.000 0.430 143 L N 2.065 123.275 121.223 -0.023 0.000 2.416 143 L HA 0.444 4.784 4.340 0.000 0.000 0.272 143 L C 0.234 177.225 176.870 0.203 0.000 1.161 143 L CA -0.030 54.834 54.840 0.040 0.000 0.845 143 L CB 0.590 42.736 42.059 0.146 0.000 1.119 143 L HN 0.786 nan 8.230 nan 0.000 0.464 144 A N 1.876 124.787 122.820 0.151 0.000 2.564 144 A HA 0.540 4.860 4.320 0.000 0.000 0.288 144 A C -0.832 176.838 177.584 0.144 0.000 1.164 144 A CA -0.449 51.693 52.037 0.175 0.000 0.712 144 A CB 1.360 20.324 19.000 -0.061 0.000 1.303 144 A HN 0.744 nan 8.150 nan 0.000 0.418 145 D N -1.354 119.082 120.400 0.059 0.000 4.201 145 D HA -0.142 4.498 4.640 0.000 0.000 0.238 145 D C -0.926 175.290 176.300 -0.141 0.000 1.070 145 D CA 0.719 54.688 54.000 -0.051 0.000 1.208 145 D CB -0.757 39.961 40.800 -0.137 0.000 0.825 145 D HN 0.453 nan 8.370 nan 0.000 0.404 146 F N 0.643 120.485 119.950 -0.179 0.000 2.647 146 F HA 0.322 4.849 4.527 0.000 0.000 0.300 146 F C 2.187 177.877 175.800 -0.185 0.000 1.106 146 F CA 0.215 58.060 58.000 -0.257 0.000 1.313 146 F CB 0.692 39.616 39.000 -0.126 0.000 1.007 146 F HN 0.373 nan 8.300 nan 0.000 0.536 147 G N 0.070 108.842 108.800 -0.046 0.000 2.462 147 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 147 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 147 G C 1.410 176.273 174.900 -0.061 0.000 1.121 147 G CA 0.680 45.761 45.100 -0.033 0.000 0.758 147 G HN 0.394 nan 8.290 nan 0.000 0.559 148 L N 0.429 121.561 121.223 -0.153 0.000 2.728 148 L HA 0.416 4.756 4.340 0.000 0.000 0.238 148 L C 1.475 178.216 176.870 -0.215 0.000 1.143 148 L CA -0.542 54.192 54.840 -0.177 0.000 0.937 148 L CB 0.199 42.130 42.059 -0.214 0.000 1.225 148 L HN 0.179 nan 8.230 nan 0.000 0.507 149 A N 0.920 123.628 122.820 -0.187 0.000 2.425 149 A HA 0.560 4.880 4.320 0.000 0.000 0.242 149 A C 0.068 177.651 177.584 -0.001 0.000 1.077 149 A CA 0.077 52.049 52.037 -0.109 0.000 0.781 149 A CB 0.355 19.392 19.000 0.061 0.000 1.020 149 A HN 0.201 nan 8.150 nan 0.000 0.494 150 R N -0.086 120.442 120.500 0.047 0.000 2.651 150 R HA 0.561 4.901 4.340 0.000 0.000 0.278 150 R C -0.609 175.804 176.300 0.188 0.000 1.010 150 R CA -0.367 55.792 56.100 0.098 0.000 0.896 150 R CB 1.888 32.227 30.300 0.065 0.000 1.211 150 R HN 0.913 nan 8.270 nan 0.000 0.456 151 A N 2.710 125.624 122.820 0.156 0.000 2.401 151 A HA 0.395 4.715 4.320 0.000 0.000 0.259 151 A C 0.131 177.834 177.584 0.199 0.000 1.103 151 A CA -0.199 51.918 52.037 0.133 0.000 0.789 151 A CB -0.338 18.690 19.000 0.046 0.000 1.035 151 A HN 0.645 nan 8.150 nan 0.000 0.491 152 F N 1.270 121.239 119.950 0.032 0.000 2.881 152 F HA 0.478 5.005 4.527 0.000 0.000 0.343 152 F C 1.100 176.902 175.800 0.004 0.000 1.233 152 F CA -0.575 57.439 58.000 0.024 0.000 1.262 152 F CB -0.286 38.728 39.000 0.023 0.000 0.980 152 F HN 0.471 nan 8.300 nan 0.000 0.506 153 G N 0.698 109.397 108.800 -0.169 0.000 2.462 153 G HA2 0.002 3.962 3.960 0.000 0.000 0.220 153 G HA3 0.002 3.962 3.960 0.000 0.000 0.220 153 G C 0.419 175.301 174.900 -0.030 0.000 1.121 153 G CA 0.951 45.966 45.100 -0.140 0.000 0.758 153 G HN 0.283 nan 8.290 nan 0.000 0.559 154 V N 0.944 120.875 119.914 0.028 0.000 2.667 154 V HA 0.361 4.481 4.120 0.000 0.000 0.308 154 V C -2.179 173.975 176.094 0.099 0.000 1.048 154 V CA -1.923 60.405 62.300 0.046 0.000 0.928 154 V CB 2.161 34.013 31.823 0.047 0.000 1.004 154 V HN -0.064 nan 8.190 nan 0.000 0.444 155 P HA 0.092 nan 4.420 nan 0.000 0.264 155 P C -0.598 176.810 177.300 0.179 0.000 1.193 155 P CA 0.062 63.173 63.100 0.017 0.000 0.763 155 P CB 0.332 31.815 31.700 -0.361 0.000 0.810 156 V N 5.126 125.199 119.914 0.265 0.000 2.488 156 V HA 0.195 4.315 4.120 0.000 0.000 0.277 156 V C 1.009 177.415 176.094 0.520 0.000 1.046 156 V CA -0.129 62.379 62.300 0.346 0.000 0.986 156 V CB 0.410 32.397 31.823 0.275 0.000 0.989 156 V HN 0.469 nan 8.190 nan 0.000 0.475 157 R N 2.807 123.585 120.500 0.463 0.000 2.459 157 R HA 0.410 4.750 4.340 0.000 0.000 0.281 157 R C 0.302 176.885 176.300 0.473 0.000 1.050 157 R CA -0.387 55.939 56.100 0.376 0.000 1.055 157 R CB 1.038 31.471 30.300 0.222 0.000 1.045 157 R HN 0.867 nan 8.270 nan 0.000 0.495 158 T N 1.670 116.364 114.554 0.233 0.000 2.769 158 T HA 0.099 4.449 4.350 0.000 0.000 0.293 158 T C -0.178 174.752 174.700 0.382 0.000 0.931 158 T CA -0.391 61.862 62.100 0.256 0.000 1.139 158 T CB 0.068 68.835 68.868 -0.168 0.000 0.881 158 T HN 0.293 nan 8.240 nan 0.000 0.532 159 Y N 3.802 124.278 120.300 0.293 0.000 2.854 159 Y HA 0.042 4.592 4.550 0.000 0.000 0.372 159 Y C 2.338 178.315 175.900 0.128 0.000 1.330 159 Y CA -0.131 58.083 58.100 0.189 0.000 1.765 159 Y CB -1.355 37.221 38.460 0.193 0.000 1.277 159 Y HN 0.965 nan 8.280 nan 0.000 0.498 160 T N -1.241 113.430 114.554 0.195 0.000 2.795 160 T HA -0.308 4.042 4.350 0.000 0.000 0.266 160 T C 0.545 175.263 174.700 0.030 0.000 1.056 160 T CA 1.986 64.146 62.100 0.099 0.000 1.141 160 T CB -0.496 68.447 68.868 0.125 0.000 0.840 160 T HN 0.647 nan 8.240 nan 0.000 0.493 161 H N 1.954 121.100 119.070 0.128 0.000 2.328 161 H HA 0.515 5.071 4.556 0.000 0.000 0.230 161 H C -0.786 174.636 175.328 0.156 0.000 1.481 161 H CA -0.577 55.538 56.048 0.113 0.000 1.306 161 H CB -0.264 29.545 29.762 0.079 0.000 1.531 161 H HN 0.501 nan 8.280 nan 0.000 0.533 162 E N -0.369 119.952 120.200 0.202 0.000 7.516 162 E HA -0.160 4.190 4.350 0.000 0.000 0.417 162 E C -0.425 176.248 176.600 0.122 0.000 0.487 162 E CA 0.293 56.778 56.400 0.143 0.000 0.890 162 E CB -0.460 29.298 29.700 0.096 0.000 0.951 162 E HN 0.304 nan 8.360 nan 0.000 0.265 163 V N 2.106 122.060 119.914 0.068 0.000 3.029 163 V HA 0.033 4.153 4.120 0.000 0.000 0.230 163 V C 0.472 176.554 176.094 -0.019 0.000 1.254 163 V CA 0.621 62.875 62.300 -0.077 0.000 1.276 163 V CB 0.994 32.612 31.823 -0.341 0.000 1.080 163 V HN 0.477 nan 8.190 nan 0.000 0.495 164 V N 2.027 121.975 119.914 0.057 0.000 2.555 164 V HA 0.186 4.306 4.120 0.000 0.000 0.286 164 V C 0.666 176.822 176.094 0.105 0.000 1.044 164 V CA -0.004 62.353 62.300 0.094 0.000 1.026 164 V CB 0.654 32.572 31.823 0.158 0.000 0.981 164 V HN 0.464 nan 8.190 nan 0.000 0.480 165 T N 5.640 120.264 114.554 0.117 0.000 2.923 165 T HA -0.032 4.318 4.350 0.000 0.000 0.304 165 T C 1.099 175.881 174.700 0.137 0.000 1.044 165 T CA 0.051 62.216 62.100 0.109 0.000 1.141 165 T CB 0.360 69.327 68.868 0.165 0.000 1.023 165 T HN 0.606 nan 8.240 nan 0.000 0.533 166 L N 3.387 124.635 121.223 0.043 0.000 2.012 166 L HA -0.037 4.303 4.340 0.000 0.000 0.210 166 L C 1.860 178.856 176.870 0.210 0.000 1.073 166 L CA 1.827 56.722 54.840 0.091 0.000 0.748 166 L CB -0.640 41.453 42.059 0.058 0.000 0.891 166 L HN 0.737 nan 8.230 nan 0.000 0.431 167 W N -0.720 120.509 121.300 -0.118 0.000 2.350 167 W HA -0.176 4.484 4.660 0.000 0.000 0.289 167 W C 1.990 178.346 176.519 -0.271 0.000 1.215 167 W CA 0.879 58.047 57.345 -0.295 0.000 1.236 167 W CB -1.217 27.867 29.460 -0.626 0.000 1.130 167 W HN 0.260 nan 8.180 nan 0.000 0.541 168 Y N -0.653 119.891 120.300 0.406 0.000 2.524 168 Y HA 0.254 4.804 4.550 0.000 0.000 0.266 168 Y C 1.209 177.354 175.900 0.408 0.000 1.180 168 Y CA -0.520 57.808 58.100 0.381 0.000 1.244 168 Y CB -0.581 38.028 38.460 0.248 0.000 1.125 168 Y HN -0.299 nan 8.280 nan 0.000 0.524 169 R N 1.561 122.285 120.500 0.374 0.000 2.357 169 R HA 0.626 4.966 4.340 0.000 0.000 0.296 169 R C -0.023 176.248 176.300 -0.048 0.000 1.052 169 R CA -0.331 55.885 56.100 0.193 0.000 0.988 169 R CB 0.595 30.957 30.300 0.104 0.000 1.025 169 R HN 0.220 nan 8.270 nan 0.000 0.469 170 A N 5.694 128.348 122.820 -0.278 0.000 2.351 170 A HA 0.299 4.619 4.320 0.000 0.000 0.257 170 A C -1.649 175.564 177.584 -0.618 0.000 1.087 170 A CA -1.479 49.996 52.037 -0.936 0.000 0.798 170 A CB 0.293 18.964 19.000 -0.547 0.000 1.033 170 A HN 0.727 nan 8.150 nan 0.000 0.488 171 P HA -0.184 nan 4.420 nan 0.000 0.218 171 P C 0.621 177.960 177.300 0.065 0.000 1.148 171 P CA 1.538 64.512 63.100 -0.210 0.000 0.822 171 P CB 0.141 31.845 31.700 0.008 0.000 0.784 172 E N 0.191 120.430 120.200 0.064 0.000 2.058 172 E HA -0.153 4.197 4.350 0.000 0.000 0.194 172 E C 2.230 178.846 176.600 0.025 0.000 0.997 172 E CA 1.108 57.621 56.400 0.188 0.000 0.801 172 E CB -1.079 28.675 29.700 0.090 0.000 0.746 172 E HN 0.292 nan 8.360 nan 0.000 0.450 173 I N 0.509 121.029 120.570 -0.083 0.000 2.202 173 I HA -0.252 3.918 4.170 0.000 0.000 0.242 173 I C 2.216 178.283 176.117 -0.082 0.000 1.091 173 I CA 0.958 62.182 61.300 -0.128 0.000 1.368 173 I CB -0.284 37.635 38.000 -0.134 0.000 1.058 173 I HN 0.078 nan 8.210 nan 0.000 0.410 174 L N 0.246 121.424 121.223 -0.075 0.000 2.081 174 L HA -0.236 4.104 4.340 0.000 0.000 0.212 174 L C 2.293 179.151 176.870 -0.021 0.000 1.080 174 L CA 1.400 56.200 54.840 -0.068 0.000 0.754 174 L CB -0.525 41.469 42.059 -0.107 0.000 0.893 174 L HN 0.312 nan 8.230 nan 0.000 0.433 175 L N -0.425 120.818 121.223 0.033 0.000 2.599 175 L HA 0.103 4.443 4.340 0.000 0.000 0.230 175 L C 1.185 178.069 176.870 0.023 0.000 1.141 175 L CA 0.501 55.386 54.840 0.074 0.000 0.877 175 L CB -0.374 41.755 42.059 0.118 0.000 1.009 175 L HN 0.528 nan 8.230 nan 0.000 0.447 176 G N 0.485 109.274 108.800 -0.019 0.000 2.164 176 G HA2 -0.259 3.701 3.960 0.000 0.000 0.212 176 G HA3 -0.259 3.701 3.960 0.000 0.000 0.212 176 G C 0.363 175.221 174.900 -0.071 0.000 1.031 176 G CA -0.106 44.963 45.100 -0.052 0.000 0.730 176 G HN 0.431 nan 8.290 nan 0.000 0.501 177 C N -0.929 118.329 119.300 -0.070 0.000 2.727 177 C HA 0.611 5.071 4.460 0.000 0.000 0.401 177 C C 1.923 176.807 174.990 -0.176 0.000 1.294 177 C CA 0.182 59.154 59.018 -0.076 0.000 2.134 177 C CB 0.795 28.521 27.740 -0.022 0.000 2.724 177 C HN 0.501 nan 8.230 nan 0.000 0.677 178 K N 0.392 120.651 120.400 -0.236 0.000 2.167 178 K HA 0.074 4.394 4.320 0.000 0.000 0.203 178 K C -0.382 175.817 176.600 -0.668 0.000 1.052 178 K CA 1.339 57.318 56.287 -0.514 0.000 0.956 178 K CB -0.010 32.038 32.500 -0.754 0.000 0.735 178 K HN 0.779 nan 8.250 nan 0.000 0.451 179 Y N -1.145 119.131 120.300 -0.040 0.000 2.512 179 Y HA 0.281 4.831 4.550 0.000 0.000 0.348 179 Y C -0.403 175.447 175.900 -0.084 0.000 0.990 179 Y CA -1.596 56.503 58.100 -0.002 0.000 1.033 179 Y CB 0.716 39.206 38.460 0.050 0.000 1.259 179 Y HN -0.151 nan 8.280 nan 0.000 0.461 180 Y N 1.099 121.490 120.300 0.151 0.000 2.397 180 Y HA 0.378 4.928 4.550 0.000 0.000 0.335 180 Y C 0.921 176.797 175.900 -0.040 0.000 1.213 180 Y CA 0.232 58.350 58.100 0.031 0.000 1.391 180 Y CB 0.925 39.377 38.460 -0.013 0.000 1.293 180 Y HN 0.654 nan 8.280 nan 0.000 0.557 181 S N -1.254 114.463 115.700 0.030 0.000 2.810 181 S HA 0.301 4.771 4.470 0.000 0.000 0.315 181 S C 0.876 175.322 174.600 -0.256 0.000 1.138 181 S CA -0.137 57.972 58.200 -0.151 0.000 0.889 181 S CB 0.958 64.109 63.200 -0.081 0.000 1.236 181 S HN 0.679 nan 8.310 nan 0.000 0.548 182 T N -1.492 112.821 114.554 -0.401 0.000 2.915 182 T HA 0.053 4.403 4.350 0.000 0.000 0.269 182 T C 2.016 176.654 174.700 -0.104 0.000 1.071 182 T CA 1.098 62.888 62.100 -0.516 0.000 1.132 182 T CB -1.062 67.358 68.868 -0.746 0.000 0.878 182 T HN 0.986 nan 8.240 nan 0.000 0.479 183 A N 1.951 124.749 122.820 -0.037 0.000 1.986 183 A HA -0.007 4.313 4.320 0.000 0.000 0.220 183 A C 2.667 180.337 177.584 0.144 0.000 1.171 183 A CA 1.878 53.954 52.037 0.065 0.000 0.640 183 A CB -1.169 17.850 19.000 0.033 0.000 0.811 183 A HN 0.857 nan 8.150 nan 0.000 0.451 184 V N -2.283 117.703 119.914 0.120 0.000 2.809 184 V HA -0.131 3.989 4.120 0.000 0.000 0.256 184 V C 1.555 177.790 176.094 0.234 0.000 1.080 184 V CA 2.365 64.776 62.300 0.185 0.000 1.102 184 V CB -0.625 31.300 31.823 0.169 0.000 0.705 184 V HN 0.371 nan 8.190 nan 0.000 0.475 185 D N 0.623 121.143 120.400 0.199 0.000 2.149 185 D HA -0.011 4.629 4.640 0.000 0.000 0.201 185 D C 2.133 178.533 176.300 0.166 0.000 0.972 185 D CA 1.271 55.383 54.000 0.186 0.000 0.835 185 D CB -0.013 40.950 40.800 0.271 0.000 0.966 185 D HN 0.425 nan 8.370 nan 0.000 0.476 186 I N 0.298 120.988 120.570 0.201 0.000 2.353 186 I HA -0.192 3.978 4.170 0.000 0.000 0.248 186 I C 2.326 178.547 176.117 0.173 0.000 1.119 186 I CA 0.595 61.988 61.300 0.154 0.000 1.417 186 I CB -0.949 37.144 38.000 0.154 0.000 1.078 186 I HN 0.270 nan 8.210 nan 0.000 0.421 187 W N 2.064 123.417 121.300 0.088 0.000 2.335 187 W HA -0.240 4.420 4.660 -0.000 0.000 0.311 187 W C 2.523 179.130 176.519 0.148 0.000 1.213 187 W CA 1.881 59.294 57.345 0.114 0.000 1.274 187 W CB -0.300 29.227 29.460 0.112 0.000 1.148 187 W HN 0.091 nan 8.180 nan 0.000 0.498 188 S N 1.053 116.965 115.700 0.354 0.000 2.382 188 S HA -0.208 4.262 4.470 0.000 0.000 0.228 188 S C 1.671 176.328 174.600 0.094 0.000 1.027 188 S CA 1.424 59.787 58.200 0.271 0.000 0.991 188 S CB -0.639 62.675 63.200 0.189 0.000 0.823 188 S HN 0.123 nan 8.310 nan 0.000 0.469 189 L N 1.681 122.927 121.223 0.038 0.000 2.072 189 L HA 0.123 4.463 4.340 0.000 0.000 0.205 189 L C 2.446 179.326 176.870 0.015 0.000 1.079 189 L CA 1.529 56.362 54.840 -0.011 0.000 0.752 189 L CB -1.520 40.518 42.059 -0.035 0.000 0.906 189 L HN 0.343 nan 8.230 nan 0.000 0.436 190 G N -1.327 107.463 108.800 -0.017 0.000 2.476 190 G HA2 -0.306 3.654 3.960 0.000 0.000 0.218 190 G HA3 -0.306 3.654 3.960 0.000 0.000 0.218 190 G C 1.692 176.563 174.900 -0.048 0.000 1.164 190 G CA 1.162 46.247 45.100 -0.026 0.000 0.768 190 G HN 0.491 nan 8.290 nan 0.000 0.560 191 C N 0.283 119.518 119.300 -0.109 0.000 2.425 191 C HA 0.051 4.511 4.460 0.000 0.000 0.277 191 C C 2.801 177.851 174.990 0.099 0.000 1.280 191 C CA 0.413 59.411 59.018 -0.034 0.000 1.744 191 C CB -0.939 26.905 27.740 0.174 0.000 1.989 191 C HN 0.471 nan 8.230 nan 0.000 0.491 192 I N -0.285 120.369 120.570 0.140 0.000 2.546 192 I HA -0.132 4.038 4.170 0.000 0.000 0.255 192 I C 2.380 178.600 176.117 0.173 0.000 1.163 192 I CA 0.997 62.374 61.300 0.128 0.000 1.457 192 I CB -0.446 37.558 38.000 0.007 0.000 1.092 192 I HN 0.258 nan 8.210 nan 0.000 0.434 193 F N 2.328 122.255 119.950 -0.038 0.000 2.039 193 F HA -0.183 4.344 4.527 0.000 0.000 0.294 193 F C 2.552 178.311 175.800 -0.068 0.000 1.130 193 F CA 1.389 59.360 58.000 -0.048 0.000 1.189 193 F CB -1.020 37.919 39.000 -0.101 0.000 0.983 193 F HN 0.027 nan 8.300 nan 0.000 0.471 194 A N 0.103 122.799 122.820 -0.206 0.000 1.903 194 A HA -0.333 3.987 4.320 0.000 0.000 0.219 194 A C 2.272 179.733 177.584 -0.205 0.000 1.191 194 A CA 2.217 54.041 52.037 -0.355 0.000 0.638 194 A CB -1.316 17.450 19.000 -0.390 0.000 0.823 194 A HN 0.622 nan 8.150 nan 0.000 0.451 195 E N -0.987 119.159 120.200 -0.090 0.000 2.153 195 E HA -0.174 4.176 4.350 0.000 0.000 0.194 195 E C 2.025 178.632 176.600 0.012 0.000 0.988 195 E CA 1.232 57.613 56.400 -0.032 0.000 0.811 195 E CB -0.183 29.564 29.700 0.078 0.000 0.746 195 E HN 0.691 nan 8.360 nan 0.000 0.466 196 M N -0.298 119.341 119.600 0.065 0.000 2.132 196 M HA -0.134 4.346 4.480 0.000 0.000 0.263 196 M C 2.212 178.540 176.300 0.047 0.000 1.065 196 M CA 0.903 56.268 55.300 0.110 0.000 1.122 196 M CB 0.153 32.885 32.600 0.219 0.000 1.365 196 M HN 0.093 nan 8.290 nan 0.000 0.411 197 V N -0.058 119.842 119.914 -0.023 0.000 2.323 197 V HA -0.199 3.921 4.120 0.000 0.000 0.244 197 V C 2.404 178.444 176.094 -0.090 0.000 1.041 197 V CA 2.274 64.529 62.300 -0.075 0.000 1.025 197 V CB -0.919 30.784 31.823 -0.200 0.000 0.656 197 V HN 0.616 nan 8.190 nan 0.000 0.451 198 T N -3.639 110.841 114.554 -0.124 0.000 3.086 198 T HA 0.119 4.469 4.350 0.000 0.000 0.250 198 T C 1.217 175.859 174.700 -0.096 0.000 1.074 198 T CA 0.230 62.253 62.100 -0.127 0.000 0.988 198 T CB 0.061 68.821 68.868 -0.180 0.000 0.988 198 T HN 0.317 nan 8.240 nan 0.000 0.530 199 R N -0.386 120.074 120.500 -0.067 0.000 3.977 199 R HA -0.133 4.207 4.340 0.000 0.000 0.428 199 R C -0.262 176.007 176.300 -0.052 0.000 1.079 199 R CA 1.319 57.392 56.100 -0.044 0.000 1.269 199 R CB -1.821 28.452 30.300 -0.046 0.000 1.856 199 R HN 0.525 nan 8.270 nan 0.000 0.551 200 R N -0.029 120.415 120.500 -0.093 0.000 2.562 200 R HA 0.722 5.062 4.340 0.000 0.000 0.298 200 R C -0.212 175.990 176.300 -0.163 0.000 0.961 200 R CA -0.180 55.844 56.100 -0.126 0.000 0.881 200 R CB 1.662 31.864 30.300 -0.163 0.000 1.159 200 R HN 0.204 nan 8.270 nan 0.000 0.450 201 A N 2.975 125.687 122.820 -0.180 0.000 2.587 201 A HA -0.073 4.247 4.320 0.000 0.000 0.233 201 A C 0.982 178.324 177.584 -0.402 0.000 1.049 201 A CA 0.030 51.903 52.037 -0.272 0.000 0.754 201 A CB 0.146 18.823 19.000 -0.538 0.000 0.977 201 A HN 0.893 nan 8.150 nan 0.000 0.509 202 L N 0.647 121.601 121.223 -0.449 0.000 2.127 202 L HA 0.169 4.509 4.340 0.000 0.000 0.203 202 L C -0.143 176.207 176.870 -0.866 0.000 1.080 202 L CA 1.307 55.719 54.840 -0.714 0.000 0.768 202 L CB -0.064 41.477 42.059 -0.862 0.000 0.924 202 L HN 0.737 nan 8.230 nan 0.000 0.444 203 F N 0.697 120.444 119.950 -0.338 0.000 2.646 203 F HA 0.324 4.851 4.527 0.000 0.000 0.336 203 F C -2.074 173.375 175.800 -0.584 0.000 1.437 203 F CA -2.745 55.058 58.000 -0.328 0.000 1.142 203 F CB 0.270 39.197 39.000 -0.121 0.000 1.530 203 F HN -0.055 nan 8.300 nan 0.000 0.591 204 P HA 0.114 nan 4.420 nan 0.000 0.231 204 P C 0.744 177.728 177.300 -0.526 0.000 1.756 204 P CA 0.358 62.536 63.100 -1.536 0.000 0.990 204 P CB 0.128 30.976 31.700 -1.419 0.000 1.973 205 G N 1.236 109.934 108.800 -0.169 0.000 2.594 205 G HA2 0.024 3.984 3.960 0.000 0.000 0.243 205 G HA3 0.024 3.984 3.960 0.000 0.000 0.243 205 G C 0.488 175.493 174.900 0.175 0.000 1.229 205 G CA -0.323 44.791 45.100 0.024 0.000 0.843 205 G HN 0.190 nan 8.290 nan 0.000 0.578 206 D N -1.118 119.327 120.400 0.075 0.000 2.380 206 D HA 0.084 4.724 4.640 0.000 0.000 0.212 206 D C 1.313 177.636 176.300 0.039 0.000 1.021 206 D CA 1.069 55.117 54.000 0.081 0.000 0.884 206 D CB 0.573 41.395 40.800 0.037 0.000 1.001 206 D HN 0.462 nan 8.370 nan 0.000 0.506 207 S N -0.887 114.810 115.700 -0.006 0.000 2.671 207 S HA 0.279 4.749 4.470 0.000 0.000 0.277 207 S C 0.693 175.246 174.600 -0.079 0.000 1.165 207 S CA -0.768 57.408 58.200 -0.039 0.000 0.822 207 S CB 2.412 65.573 63.200 -0.064 0.000 1.150 207 S HN -0.180 nan 8.310 nan 0.000 0.479 208 E N -0.139 120.007 120.200 -0.091 0.000 2.070 208 E HA -0.167 4.183 4.350 0.000 0.000 0.197 208 E C 1.645 178.111 176.600 -0.224 0.000 1.004 208 E CA 1.592 57.918 56.400 -0.124 0.000 0.805 208 E CB -0.314 29.321 29.700 -0.108 0.000 0.744 208 E HN 0.575 nan 8.360 nan 0.000 0.451 209 I N 1.497 121.903 120.570 -0.272 0.000 2.353 209 I HA -0.209 3.961 4.170 0.000 0.000 0.248 209 I C 1.887 177.634 176.117 -0.618 0.000 1.119 209 I CA 1.540 62.550 61.300 -0.484 0.000 1.417 209 I CB -0.086 37.650 38.000 -0.439 0.000 1.078 209 I HN -0.043 nan 8.210 nan 0.000 0.421 210 D N -0.553 119.628 120.400 -0.365 0.000 2.144 210 D HA -0.264 4.376 4.640 0.000 0.000 0.200 210 D C 2.141 178.297 176.300 -0.241 0.000 0.978 210 D CA 1.149 54.988 54.000 -0.269 0.000 0.833 210 D CB -0.066 40.657 40.800 -0.128 0.000 0.961 210 D HN 0.385 nan 8.370 nan 0.000 0.470 211 Q N 0.048 119.719 119.800 -0.214 0.000 2.050 211 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 211 Q C 2.230 178.041 176.000 -0.314 0.000 0.980 211 Q CA 1.192 56.886 55.803 -0.181 0.000 0.840 211 Q CB -0.599 28.079 28.738 -0.101 0.000 0.898 211 Q HN 0.388 nan 8.270 nan 0.000 0.424 212 L N -0.599 120.369 121.223 -0.426 0.000 2.043 212 L HA -0.194 4.146 4.340 0.000 0.000 0.212 212 L C 1.928 178.343 176.870 -0.758 0.000 1.075 212 L CA 1.462 55.918 54.840 -0.640 0.000 0.752 212 L CB -0.351 41.266 42.059 -0.737 0.000 0.891 212 L HN 0.338 nan 8.230 nan 0.000 0.432 213 F N 0.110 119.615 119.950 -0.743 0.000 2.293 213 F HA -0.053 4.474 4.527 0.000 0.000 0.297 213 F C 2.704 178.162 175.800 -0.571 0.000 1.089 213 F CA 0.669 58.267 58.000 -0.670 0.000 1.377 213 F CB -0.818 37.923 39.000 -0.432 0.000 1.051 213 F HN 0.084 nan 8.300 nan 0.000 0.511 214 R N 0.150 120.508 120.500 -0.237 0.000 2.120 214 R HA -0.126 4.214 4.340 0.000 0.000 0.234 214 R C 2.163 178.324 176.300 -0.231 0.000 1.123 214 R CA 1.307 57.297 56.100 -0.184 0.000 0.975 214 R CB -0.543 29.721 30.300 -0.060 0.000 0.866 214 R HN 0.303 nan 8.270 nan 0.000 0.446 215 I N 0.031 120.304 120.570 -0.496 0.000 2.233 215 I HA -0.232 3.938 4.170 0.000 0.000 0.243 215 I C 1.929 178.074 176.117 0.047 0.000 1.093 215 I CA 1.006 61.939 61.300 -0.611 0.000 1.380 215 I CB -0.316 37.370 38.000 -0.522 0.000 1.067 215 I HN -0.027 nan 8.210 nan 0.000 0.413 216 F N 1.622 121.512 119.950 -0.101 0.000 2.120 216 F HA -0.190 4.337 4.527 0.000 0.000 0.300 216 F C 2.645 178.317 175.800 -0.215 0.000 1.095 216 F CA 1.363 59.344 58.000 -0.031 0.000 1.249 216 F CB -1.207 37.753 39.000 -0.067 0.000 0.995 216 F HN 0.043 nan 8.300 nan 0.000 0.480 217 R N -0.966 119.284 120.500 -0.416 0.000 2.237 217 R HA -0.064 4.276 4.340 0.000 0.000 0.219 217 R C 1.795 177.999 176.300 -0.160 0.000 1.080 217 R CA 1.446 57.161 56.100 -0.642 0.000 0.995 217 R CB -0.421 29.385 30.300 -0.823 0.000 0.875 217 R HN 0.249 nan 8.270 nan 0.000 0.462 218 T N 0.136 114.694 114.554 0.007 0.000 3.046 218 T HA 0.157 4.507 4.350 0.000 0.000 0.242 218 T C 1.538 176.322 174.700 0.139 0.000 1.018 218 T CA 0.414 62.565 62.100 0.084 0.000 1.131 218 T CB 0.308 69.307 68.868 0.218 0.000 0.904 218 T HN 0.068 nan 8.240 nan 0.000 0.459 219 L N 0.563 121.919 121.223 0.221 0.000 2.616 219 L HA 0.432 4.772 4.340 0.000 0.000 0.229 219 L C 1.094 178.171 176.870 0.345 0.000 1.110 219 L CA -0.227 54.767 54.840 0.257 0.000 0.884 219 L CB -0.086 42.046 42.059 0.122 0.000 1.115 219 L HN 0.420 nan 8.230 nan 0.000 0.481 220 G N 0.147 109.141 108.800 0.323 0.000 2.692 220 G HA2 -0.185 3.775 3.960 0.000 0.000 0.686 220 G HA3 -0.185 3.775 3.960 0.000 0.000 0.686 220 G C -0.345 174.679 174.900 0.207 0.000 1.243 220 G CA -0.874 44.396 45.100 0.282 0.000 0.782 220 G HN -0.091 nan 8.290 nan 0.000 0.625 221 T N 4.467 119.032 114.554 0.018 0.000 2.779 221 T HA 0.516 4.866 4.350 0.000 0.000 0.296 221 T C -1.461 173.031 174.700 -0.347 0.000 0.938 221 T CA -0.058 61.790 62.100 -0.419 0.000 1.119 221 T CB 1.216 69.916 68.868 -0.281 0.000 0.891 221 T HN 0.628 nan 8.240 nan 0.000 0.526 222 P HA 0.275 nan 4.420 nan 0.000 0.271 222 P C -0.938 176.224 177.300 -0.230 0.000 1.216 222 P CA -0.414 62.422 63.100 -0.439 0.000 0.776 222 P CB 0.748 32.019 31.700 -0.715 0.000 0.881 223 D N 0.058 120.382 120.400 -0.127 0.000 2.585 223 D HA 0.204 4.844 4.640 0.000 0.000 0.254 223 D C 0.841 177.085 176.300 -0.094 0.000 1.067 223 D CA -0.717 53.215 54.000 -0.114 0.000 1.090 223 D CB 0.411 41.175 40.800 -0.059 0.000 1.408 223 D HN 0.098 nan 8.370 nan 0.000 0.554 224 E N -0.404 119.730 120.200 -0.110 0.000 2.265 224 E HA -0.070 4.280 4.350 0.000 0.000 0.196 224 E C 1.881 178.481 176.600 0.000 0.000 0.996 224 E CA 0.518 56.867 56.400 -0.086 0.000 0.832 224 E CB -0.062 29.581 29.700 -0.096 0.000 0.756 224 E HN 0.373 nan 8.360 nan 0.000 0.491 225 V N 0.289 120.213 119.914 0.017 0.000 2.302 225 V HA -0.158 3.962 4.120 0.000 0.000 0.243 225 V C 2.463 178.619 176.094 0.104 0.000 1.036 225 V CA 1.019 63.350 62.300 0.052 0.000 1.020 225 V CB -0.396 31.451 31.823 0.040 0.000 0.657 225 V HN 0.054 nan 8.190 nan 0.000 0.453 226 V N -1.707 118.276 119.914 0.114 0.000 2.515 226 V HA -0.117 4.003 4.120 0.000 0.000 0.250 226 V C 0.732 177.012 176.094 0.309 0.000 1.058 226 V CA 1.232 63.638 62.300 0.176 0.000 1.064 226 V CB -0.201 31.716 31.823 0.156 0.000 0.675 226 V HN 0.748 nan 8.190 nan 0.000 0.461 227 W N 1.518 122.831 121.300 0.023 0.000 2.525 227 W HA 0.428 5.088 4.660 0.000 0.000 0.294 227 W C -3.358 173.150 176.519 -0.019 0.000 1.044 227 W CA -3.299 54.067 57.345 0.036 0.000 1.169 227 W CB 0.644 30.113 29.460 0.015 0.000 1.042 227 W HN 0.022 nan 8.180 nan 0.000 0.316 228 P HA 0.317 nan 4.420 nan 0.000 0.263 228 P C 0.855 178.168 177.300 0.021 0.000 1.195 228 P CA 2.317 65.479 63.100 0.103 0.000 0.762 228 P CB 0.929 32.700 31.700 0.118 0.000 0.799 229 G N 1.768 110.469 108.800 -0.165 0.000 2.307 229 G HA2 -0.310 3.650 3.960 0.000 0.000 0.210 229 G HA3 -0.310 3.650 3.960 0.000 0.000 0.210 229 G C 0.993 175.606 174.900 -0.479 0.000 1.005 229 G CA 0.184 45.145 45.100 -0.232 0.000 0.634 229 G HN 0.413 nan 8.290 nan 0.000 0.496 230 V N 0.107 119.524 119.914 -0.828 0.000 2.250 230 V HA -0.198 3.922 4.120 0.000 0.000 0.253 230 V C 2.942 178.468 176.094 -0.947 0.000 1.065 230 V CA 3.547 65.215 62.300 -1.053 0.000 1.039 230 V CB -2.082 29.060 31.823 -1.135 0.000 0.647 230 V HN 1.305 nan 8.190 nan 0.000 0.446 231 T N -2.899 111.056 114.554 -0.997 0.000 3.155 231 T HA -0.005 4.346 4.350 0.000 0.000 0.264 231 T C 1.584 175.979 174.700 -0.508 0.000 1.160 231 T CA 1.334 62.740 62.100 -1.157 0.000 1.075 231 T CB -0.304 68.137 68.868 -0.712 0.000 0.921 231 T HN 0.527 nan 8.240 nan 0.000 0.533 232 S N 0.287 115.760 115.700 -0.377 0.000 2.511 232 S HA 0.406 4.876 4.470 0.000 0.000 0.214 232 S C 0.757 175.267 174.600 -0.150 0.000 0.997 232 S CA -0.384 57.696 58.200 -0.200 0.000 0.908 232 S CB -0.137 62.969 63.200 -0.156 0.000 0.803 232 S HN 0.506 nan 8.310 nan 0.000 0.504 233 M N 2.090 121.575 119.600 -0.193 0.000 2.252 233 M HA 0.103 4.583 4.480 0.000 0.000 0.333 233 M C -1.656 174.623 176.300 -0.036 0.000 1.111 233 M CA -1.363 53.870 55.300 -0.112 0.000 1.140 233 M CB -0.213 32.300 32.600 -0.145 0.000 1.538 233 M HN -0.116 nan 8.290 nan 0.000 0.448 234 P HA -0.145 nan 4.420 nan 0.000 0.216 234 P C -0.043 177.257 177.300 0.001 0.000 1.153 234 P CA 1.428 64.516 63.100 -0.021 0.000 0.858 234 P CB 0.156 31.837 31.700 -0.032 0.000 0.789 235 D N -2.605 117.811 120.400 0.027 0.000 2.615 235 D HA 0.093 4.733 4.640 0.000 0.000 0.236 235 D C -0.280 176.095 176.300 0.124 0.000 1.233 235 D CA -0.290 53.742 54.000 0.054 0.000 0.829 235 D CB -0.777 40.051 40.800 0.047 0.000 1.024 235 D HN 0.206 nan 8.370 nan 0.000 0.490 236 Y N 1.181 121.432 120.300 -0.081 0.000 2.352 236 Y HA 0.385 4.935 4.550 0.000 0.000 0.326 236 Y C -0.268 175.360 175.900 -0.454 0.000 1.166 236 Y CA -0.508 57.450 58.100 -0.237 0.000 1.182 236 Y CB 0.872 39.198 38.460 -0.224 0.000 1.216 236 Y HN -0.336 nan 8.280 nan 0.000 0.474 237 K N 7.071 126.483 120.400 -1.647 0.000 2.397 237 K HA 0.272 4.592 4.320 0.000 0.000 0.253 237 K C -2.220 173.574 176.600 -1.343 0.000 0.932 237 K CA -1.946 53.680 56.287 -1.101 0.000 0.795 237 K CB 2.086 34.136 32.500 -0.749 0.000 1.159 237 K HN 0.380 nan 8.250 nan 0.000 0.424 238 P HA -0.195 nan 4.420 nan 0.000 0.226 238 P C 0.884 178.044 177.300 -0.233 0.000 1.146 238 P CA 1.164 64.131 63.100 -0.222 0.000 0.773 238 P CB 0.224 31.901 31.700 -0.038 0.000 0.772 239 S N -1.868 113.674 115.700 -0.263 0.000 2.489 239 S HA -0.042 4.428 4.470 0.000 0.000 0.228 239 S C 0.801 175.426 174.600 0.041 0.000 0.995 239 S CA -0.331 57.815 58.200 -0.090 0.000 0.934 239 S CB -1.147 62.029 63.200 -0.040 0.000 0.771 239 S HN -0.177 nan 8.310 nan 0.000 0.522 240 F N 4.356 124.227 119.950 -0.132 0.000 2.604 240 F HA 0.220 4.747 4.527 0.000 0.000 0.393 240 F C -1.838 173.862 175.800 -0.166 0.000 1.043 240 F CA -2.534 55.434 58.000 -0.055 0.000 1.227 240 F CB -0.704 38.291 39.000 -0.009 0.000 1.016 240 F HN 0.162 nan 8.300 nan 0.000 0.556 241 P HA -0.012 nan 4.420 nan 0.000 0.267 241 P C -0.323 176.706 177.300 -0.451 0.000 1.205 241 P CA -0.286 62.545 63.100 -0.449 0.000 0.765 241 P CB 0.466 31.638 31.700 -0.881 0.000 0.828 242 K N 4.544 124.740 120.400 -0.339 0.000 2.363 242 K HA 0.072 4.392 4.320 0.000 0.000 0.289 242 K C -0.339 176.107 176.600 -0.257 0.000 1.063 242 K CA -0.284 55.879 56.287 -0.207 0.000 0.967 242 K CB 0.216 32.636 32.500 -0.133 0.000 0.987 242 K HN 0.453 nan 8.250 nan 0.000 0.473 243 W N 1.628 122.877 121.300 -0.084 0.000 2.367 243 W HA 0.511 5.171 4.660 -0.000 0.000 0.369 243 W C -0.074 176.440 176.519 -0.009 0.000 1.276 243 W CA -0.844 56.479 57.345 -0.037 0.000 1.415 243 W CB 1.528 30.982 29.460 -0.009 0.000 1.306 243 W HN 0.536 nan 8.180 nan 0.000 0.669 244 A N 1.335 124.341 122.820 0.309 0.000 2.355 244 A HA 0.609 4.929 4.320 0.000 0.000 0.324 244 A C -0.523 177.173 177.584 0.188 0.000 1.117 244 A CA -0.873 51.275 52.037 0.185 0.000 0.785 244 A CB 1.176 20.257 19.000 0.135 0.000 1.254 244 A HN 0.571 nan 8.150 nan 0.000 0.453 245 R N 1.697 122.295 120.500 0.162 0.000 2.421 245 R HA 0.131 4.471 4.340 0.000 0.000 0.305 245 R C -0.067 176.322 176.300 0.148 0.000 1.039 245 R CA 0.242 56.446 56.100 0.172 0.000 1.003 245 R CB 0.174 30.573 30.300 0.165 0.000 0.959 245 R HN 0.713 nan 8.270 nan 0.000 0.427 246 Q N 2.435 122.318 119.800 0.138 0.000 2.417 246 Q HA 0.001 4.341 4.340 0.000 0.000 0.241 246 Q C -0.666 175.414 176.000 0.134 0.000 1.008 246 Q CA 0.125 55.983 55.803 0.091 0.000 0.901 246 Q CB 0.879 29.628 28.738 0.018 0.000 1.259 246 Q HN 0.657 nan 8.270 nan 0.000 0.489 247 D N -0.114 120.343 120.400 0.095 0.000 2.308 247 D HA 0.050 4.690 4.640 0.000 0.000 0.251 247 D C 0.084 176.461 176.300 0.129 0.000 1.127 247 D CA -0.105 53.973 54.000 0.130 0.000 0.876 247 D CB 0.359 41.204 40.800 0.075 0.000 1.176 247 D HN 0.293 nan 8.370 nan 0.000 0.446 248 F N 1.737 121.670 119.950 -0.028 0.000 2.604 248 F HA -0.052 4.475 4.527 0.000 0.000 0.298 248 F C 2.377 178.139 175.800 -0.063 0.000 1.131 248 F CA 0.447 58.413 58.000 -0.055 0.000 1.457 248 F CB -0.040 38.925 39.000 -0.058 0.000 1.095 248 F HN 0.360 nan 8.300 nan 0.000 0.574 249 S N -0.442 115.315 115.700 0.095 0.000 2.406 249 S HA -0.140 4.330 4.470 0.000 0.000 0.228 249 S C 1.965 176.547 174.600 -0.030 0.000 1.020 249 S CA 0.904 59.121 58.200 0.028 0.000 0.965 249 S CB -0.115 63.104 63.200 0.031 0.000 0.798 249 S HN 0.373 nan 8.310 nan 0.000 0.488 250 K N 0.795 121.169 120.400 -0.042 0.000 2.062 250 K HA 0.025 4.345 4.320 0.000 0.000 0.205 250 K C 2.059 178.572 176.600 -0.146 0.000 1.051 250 K CA 1.003 57.243 56.287 -0.077 0.000 0.941 250 K CB -0.291 32.173 32.500 -0.060 0.000 0.719 250 K HN 0.163 nan 8.250 nan 0.000 0.440 251 V N 1.319 121.096 119.914 -0.228 0.000 2.270 251 V HA -0.121 3.999 4.120 0.000 0.000 0.245 251 V C 1.202 177.095 176.094 -0.336 0.000 1.043 251 V CA 1.226 63.308 62.300 -0.363 0.000 1.014 251 V CB -0.165 31.251 31.823 -0.678 0.000 0.645 251 V HN 0.177 nan 8.190 nan 0.000 0.447 252 V N -2.963 116.773 119.914 -0.295 0.000 2.315 252 V HA 0.436 4.556 4.120 0.000 0.000 0.265 252 V C -2.077 173.935 176.094 -0.137 0.000 1.019 252 V CA -1.604 60.554 62.300 -0.237 0.000 0.824 252 V CB 0.705 32.349 31.823 -0.298 0.000 1.072 252 V HN 0.176 nan 8.190 nan 0.000 0.448 253 P HA 0.028 nan 4.420 nan 0.000 0.214 253 P C -1.308 175.962 177.300 -0.050 0.000 1.162 253 P CA 1.647 64.708 63.100 -0.066 0.000 0.879 253 P CB -0.978 30.683 31.700 -0.065 0.000 0.786 254 P HA -0.052 nan 4.420 nan 0.000 0.234 254 P C 0.013 177.304 177.300 -0.016 0.000 1.162 254 P CA 0.737 63.815 63.100 -0.037 0.000 0.759 254 P CB -0.204 31.469 31.700 -0.045 0.000 0.813 255 L N 0.937 122.146 121.223 -0.023 0.000 2.322 255 L HA 0.271 4.611 4.340 0.000 0.000 0.279 255 L C 0.544 177.441 176.870 0.046 0.000 1.036 255 L CA -0.866 53.983 54.840 0.015 0.000 0.807 255 L CB 0.779 42.808 42.059 -0.049 0.000 1.226 255 L HN -0.122 nan 8.230 nan 0.000 0.433 256 D N 2.259 122.713 120.400 0.091 0.000 2.398 256 D HA -0.030 4.610 4.640 0.000 0.000 0.264 256 D C 0.506 176.864 176.300 0.097 0.000 1.263 256 D CA -0.314 53.736 54.000 0.082 0.000 1.037 256 D CB 0.438 41.288 40.800 0.083 0.000 1.101 256 D HN 0.677 nan 8.370 nan 0.000 0.551 257 E N -0.611 119.640 120.200 0.085 0.000 2.150 257 E HA -0.178 4.172 4.350 0.000 0.000 0.193 257 E C 0.956 177.631 176.600 0.126 0.000 0.985 257 E CA 0.839 57.288 56.400 0.082 0.000 0.814 257 E CB 0.132 29.867 29.700 0.057 0.000 0.752 257 E HN 0.295 nan 8.360 nan 0.000 0.466 258 D N -0.259 120.253 120.400 0.187 0.000 2.091 258 D HA -0.073 4.567 4.640 0.000 0.000 0.199 258 D C 1.860 178.361 176.300 0.334 0.000 0.980 258 D CA 1.366 55.560 54.000 0.323 0.000 0.831 258 D CB -0.726 40.279 40.800 0.342 0.000 0.987 258 D HN 0.327 nan 8.370 nan 0.000 0.460 259 G N 0.827 109.854 108.800 0.379 0.000 2.469 259 G HA2 -0.307 3.653 3.960 0.000 0.000 0.219 259 G HA3 -0.307 3.653 3.960 0.000 0.000 0.219 259 G C 1.694 176.584 174.900 -0.016 0.000 1.150 259 G CA 0.594 45.741 45.100 0.078 0.000 0.763 259 G HN 0.234 nan 8.290 nan 0.000 0.561 260 R N 0.052 120.581 120.500 0.048 0.000 2.115 260 R HA 0.005 4.345 4.340 0.000 0.000 0.230 260 R C 2.871 179.132 176.300 -0.064 0.000 1.111 260 R CA 1.172 57.301 56.100 0.048 0.000 0.976 260 R CB -0.354 29.997 30.300 0.084 0.000 0.870 260 R HN 0.419 nan 8.270 nan 0.000 0.445 261 S N 0.936 116.626 115.700 -0.016 0.000 2.355 261 S HA -0.100 4.370 4.470 0.000 0.000 0.222 261 S C 1.881 176.411 174.600 -0.116 0.000 1.031 261 S CA 0.763 58.956 58.200 -0.013 0.000 0.993 261 S CB -0.126 63.192 63.200 0.197 0.000 0.859 261 S HN 0.180 nan 8.310 nan 0.000 0.453 262 L N 1.696 122.730 121.223 -0.316 0.000 1.955 262 L HA -0.016 4.324 4.340 0.000 0.000 0.213 262 L C 2.281 179.041 176.870 -0.184 0.000 1.072 262 L CA 2.029 56.556 54.840 -0.522 0.000 0.755 262 L CB -1.120 40.494 42.059 -0.742 0.000 0.888 262 L HN 0.450 nan 8.230 nan 0.000 0.432 263 L N -0.356 120.840 121.223 -0.044 0.000 2.034 263 L HA -0.292 4.048 4.340 0.000 0.000 0.217 263 L C 2.713 179.599 176.870 0.027 0.000 1.077 263 L CA 2.502 57.385 54.840 0.071 0.000 0.769 263 L CB -0.999 41.104 42.059 0.073 0.000 0.890 263 L HN 0.660 nan 8.230 nan 0.000 0.435 264 S N -2.204 113.438 115.700 -0.096 0.000 2.481 264 S HA -0.150 4.320 4.470 0.000 0.000 0.231 264 S C 1.774 176.332 174.600 -0.071 0.000 0.996 264 S CA 0.863 58.928 58.200 -0.226 0.000 0.942 264 S CB -0.425 62.321 63.200 -0.756 0.000 0.768 264 S HN 0.692 nan 8.310 nan 0.000 0.520 265 Q N 0.390 120.170 119.800 -0.033 0.000 2.163 265 Q HA 0.223 4.563 4.340 0.000 0.000 0.198 265 Q C 2.126 178.165 176.000 0.064 0.000 0.954 265 Q CA 1.000 56.833 55.803 0.050 0.000 0.851 265 Q CB -0.258 28.492 28.738 0.020 0.000 0.928 265 Q HN 0.599 nan 8.270 nan 0.000 0.459 266 M N 0.085 119.695 119.600 0.017 0.000 2.374 266 M HA -0.083 4.397 4.480 0.000 0.000 0.264 266 M C 1.290 177.597 176.300 0.013 0.000 1.067 266 M CA 1.160 56.474 55.300 0.022 0.000 1.103 266 M CB 0.141 32.736 32.600 -0.009 0.000 1.402 266 M HN 0.171 nan 8.290 nan 0.000 0.444 267 L N -1.506 119.703 121.223 -0.022 0.000 2.728 267 L HA 0.153 4.493 4.340 0.000 0.000 0.238 267 L C 0.832 177.779 176.870 0.128 0.000 1.143 267 L CA -0.410 54.355 54.840 -0.126 0.000 0.937 267 L CB -0.400 41.513 42.059 -0.245 0.000 1.225 267 L HN 0.211 nan 8.230 nan 0.000 0.507 268 H N -0.049 119.055 119.070 0.056 0.000 3.094 268 H HA -0.136 4.420 4.556 0.000 0.000 0.320 268 H C 0.532 175.897 175.328 0.061 0.000 1.000 268 H CA 1.000 57.074 56.048 0.043 0.000 1.413 268 H CB 0.744 30.520 29.762 0.024 0.000 1.405 268 H HN 0.058 nan 8.280 nan 0.000 0.586 269 Y N 1.959 122.261 120.300 0.003 0.000 2.145 269 Y HA -0.178 4.372 4.550 0.000 0.000 0.286 269 Y C 1.422 176.880 175.900 -0.737 0.000 1.145 269 Y CA 1.611 59.631 58.100 -0.133 0.000 1.148 269 Y CB -0.111 38.392 38.460 0.071 0.000 0.981 269 Y HN 0.606 nan 8.280 nan 0.000 0.507 270 D N 1.306 121.519 120.400 -0.313 0.000 2.339 270 D HA 0.019 4.659 4.640 0.000 0.000 0.256 270 D C -1.761 174.321 176.300 -0.363 0.000 1.214 270 D CA -2.025 51.520 54.000 -0.760 0.000 0.877 270 D CB 1.176 41.845 40.800 -0.217 0.000 1.111 270 D HN 0.079 nan 8.370 nan 0.000 0.478 271 P HA -0.161 nan 4.420 nan 0.000 0.219 271 P C 0.935 178.185 177.300 -0.083 0.000 1.146 271 P CA 0.713 63.721 63.100 -0.154 0.000 0.808 271 P CB 0.457 32.095 31.700 -0.103 0.000 0.779 272 N N 0.365 119.019 118.700 -0.076 0.000 2.104 272 N HA -0.135 4.605 4.740 0.000 0.000 0.190 272 N C 1.554 177.012 175.510 -0.085 0.000 1.024 272 N CA 1.251 54.274 53.050 -0.046 0.000 0.853 272 N CB -0.306 38.175 38.487 -0.011 0.000 1.008 272 N HN 0.251 nan 8.380 nan 0.000 0.424 273 K N 0.794 121.095 120.400 -0.166 0.000 2.356 273 K HA 0.056 4.376 4.320 0.000 0.000 0.195 273 K C 0.701 177.111 176.600 -0.316 0.000 1.037 273 K CA -0.208 55.895 56.287 -0.308 0.000 1.014 273 K CB 0.340 32.482 32.500 -0.597 0.000 0.815 273 K HN 0.169 nan 8.250 nan 0.000 0.507 274 R N 1.979 122.381 120.500 -0.164 0.000 2.583 274 R HA 0.029 4.369 4.340 0.000 0.000 0.274 274 R C 0.215 176.507 176.300 -0.013 0.000 0.998 274 R CA 0.025 56.112 56.100 -0.022 0.000 1.081 274 R CB 0.146 30.488 30.300 0.070 0.000 0.940 274 R HN 0.066 nan 8.270 nan 0.000 0.413 275 I N 3.016 123.596 120.570 0.018 0.000 2.836 275 I HA -0.030 4.140 4.170 0.000 0.000 0.285 275 I C 0.330 176.481 176.117 0.057 0.000 1.174 275 I CA 0.370 61.689 61.300 0.031 0.000 1.405 275 I CB 0.907 38.934 38.000 0.044 0.000 1.385 275 I HN 0.868 nan 8.210 nan 0.000 0.594 276 S N 5.367 121.106 115.700 0.065 0.000 2.652 276 S HA 0.448 4.918 4.470 0.000 0.000 0.270 276 S C 0.917 175.569 174.600 0.086 0.000 1.243 276 S CA -0.102 58.154 58.200 0.092 0.000 0.999 276 S CB 1.704 64.959 63.200 0.091 0.000 0.973 276 S HN 0.802 nan 8.310 nan 0.000 0.544 277 A N 1.608 124.484 122.820 0.093 0.000 1.930 277 A HA -0.017 4.303 4.320 0.000 0.000 0.217 277 A C 2.171 179.761 177.584 0.010 0.000 1.175 277 A CA 1.413 53.460 52.037 0.017 0.000 0.627 277 A CB -0.785 18.176 19.000 -0.065 0.000 0.815 277 A HN 0.905 nan 8.150 nan 0.000 0.443 278 K N -0.221 120.206 120.400 0.045 0.000 2.057 278 K HA -0.065 4.255 4.320 0.000 0.000 0.206 278 K C 2.184 178.822 176.600 0.062 0.000 1.050 278 K CA 1.131 57.444 56.287 0.043 0.000 0.935 278 K CB -0.281 32.257 32.500 0.062 0.000 0.715 278 K HN 0.372 nan 8.250 nan 0.000 0.439 279 A N 1.205 124.072 122.820 0.079 0.000 1.873 279 A HA -0.076 4.245 4.320 0.000 0.000 0.215 279 A C 2.330 180.001 177.584 0.146 0.000 1.186 279 A CA 1.810 53.908 52.037 0.102 0.000 0.616 279 A CB -0.763 18.292 19.000 0.092 0.000 0.823 279 A HN 0.436 nan 8.150 nan 0.000 0.442 280 A N -0.314 122.586 122.820 0.133 0.000 1.986 280 A HA -0.094 4.226 4.320 0.000 0.000 0.220 280 A C 2.096 179.857 177.584 0.294 0.000 1.171 280 A CA 1.535 53.687 52.037 0.192 0.000 0.640 280 A CB -0.612 18.460 19.000 0.119 0.000 0.811 280 A HN 0.495 nan 8.150 nan 0.000 0.451 281 L N -1.340 119.968 121.223 0.142 0.000 2.201 281 L HA -0.136 4.204 4.340 0.000 0.000 0.212 281 L C 2.849 179.890 176.870 0.284 0.000 1.105 281 L CA 0.846 55.743 54.840 0.097 0.000 0.775 281 L CB -0.351 41.672 42.059 -0.058 0.000 0.913 281 L HN 0.465 nan 8.230 nan 0.000 0.440 282 A N -2.145 120.829 122.820 0.255 0.000 2.072 282 A HA -0.082 4.238 4.320 0.000 0.000 0.216 282 A C 1.138 178.888 177.584 0.276 0.000 1.156 282 A CA -0.011 52.164 52.037 0.230 0.000 0.701 282 A CB -0.504 18.588 19.000 0.152 0.000 0.816 282 A HN 0.325 nan 8.150 nan 0.000 0.458 283 H N 0.601 119.834 119.070 0.272 0.000 3.073 283 H HA -0.011 4.545 4.556 0.000 0.000 0.340 283 H C -1.607 173.867 175.328 0.243 0.000 1.054 283 H CA -0.381 55.813 56.048 0.244 0.000 1.372 283 H CB 0.877 30.795 29.762 0.261 0.000 1.314 283 H HN 0.032 nan 8.280 nan 0.000 0.603 284 P HA -0.175 nan 4.420 nan 0.000 0.219 284 P C 1.439 178.803 177.300 0.107 0.000 1.146 284 P CA 0.971 64.048 63.100 -0.039 0.000 0.808 284 P CB -0.227 31.376 31.700 -0.162 0.000 0.779 285 F N -0.716 119.325 119.950 0.152 0.000 2.184 285 F HA -0.201 4.326 4.527 0.000 0.000 0.301 285 F C 1.383 177.044 175.800 -0.232 0.000 1.076 285 F CA 1.566 59.535 58.000 -0.051 0.000 1.295 285 F CB -0.467 38.423 39.000 -0.184 0.000 1.026 285 F HN -0.173 nan 8.300 nan 0.000 0.494 286 F N -0.328 119.683 119.950 0.101 0.000 2.695 286 F HA 0.149 4.676 4.527 0.000 0.000 0.303 286 F C 2.196 177.857 175.800 -0.230 0.000 1.091 286 F CA 0.210 58.136 58.000 -0.124 0.000 1.300 286 F CB -0.806 38.205 39.000 0.017 0.000 1.071 286 F HN 0.025 nan 8.300 nan 0.000 0.578 287 Q N 1.048 120.851 119.800 0.004 0.000 2.234 287 Q HA -0.187 4.153 4.340 0.000 0.000 0.206 287 Q C 0.485 176.430 176.000 -0.092 0.000 0.980 287 Q CA 1.766 57.550 55.803 -0.032 0.000 0.869 287 Q CB -0.084 28.641 28.738 -0.022 0.000 0.912 287 Q HN 0.437 nan 8.270 nan 0.000 0.436 288 D N -0.066 120.248 120.400 -0.143 0.000 2.755 288 D HA 0.053 4.693 4.640 0.000 0.000 0.257 288 D C -0.128 176.067 176.300 -0.176 0.000 1.291 288 D CA -0.273 53.640 54.000 -0.146 0.000 0.836 288 D CB 0.136 40.849 40.800 -0.143 0.000 1.059 288 D HN 0.034 nan 8.370 nan 0.000 0.486 289 V N 1.386 121.175 119.914 -0.209 0.000 2.649 289 V HA 0.494 4.614 4.120 0.000 0.000 0.292 289 V C 0.198 176.196 176.094 -0.160 0.000 1.055 289 V CA 0.317 62.482 62.300 -0.225 0.000 1.023 289 V CB 1.295 32.877 31.823 -0.402 0.000 0.992 289 V HN 0.532 nan 8.190 nan 0.000 0.480 290 T N 2.963 117.456 114.554 -0.100 0.000 2.888 290 T HA 0.498 4.848 4.350 0.000 0.000 0.288 290 T C -0.450 174.244 174.700 -0.010 0.000 1.063 290 T CA -0.824 61.244 62.100 -0.053 0.000 1.010 290 T CB 1.609 70.449 68.868 -0.047 0.000 1.214 290 T HN 0.694 nan 8.240 nan 0.000 0.533 291 K N 1.716 122.121 120.400 0.009 0.000 2.724 291 K HA 0.410 4.730 4.320 0.000 0.000 0.198 291 K C -2.535 174.075 176.600 0.017 0.000 1.099 291 K CA -1.785 54.525 56.287 0.037 0.000 1.025 291 K CB -0.095 32.440 32.500 0.058 0.000 1.509 291 K HN 0.393 nan 8.250 nan 0.000 0.564 292 P HA -0.064 nan 4.420 nan 0.000 0.269 292 P C -0.711 176.585 177.300 -0.006 0.000 1.215 292 P CA -0.560 62.530 63.100 -0.017 0.000 0.780 292 P CB 0.808 32.482 31.700 -0.044 0.000 0.898 293 V N 0.237 120.158 119.914 0.013 0.000 2.481 293 V HA 0.587 4.707 4.120 0.000 0.000 0.286 293 V C -2.114 174.010 176.094 0.051 0.000 1.042 293 V CA -2.071 60.246 62.300 0.030 0.000 0.928 293 V CB 0.663 32.506 31.823 0.033 0.000 0.986 293 V HN 0.454 nan 8.190 nan 0.000 0.462 294 P HA 0.194 nan 4.420 nan 0.000 0.274 294 P C -0.756 176.665 177.300 0.202 0.000 1.246 294 P CA -0.200 62.995 63.100 0.158 0.000 0.795 294 P CB 0.480 32.231 31.700 0.086 0.000 1.006 295 H N 2.318 121.489 119.070 0.168 0.000 2.741 295 H HA 0.292 4.848 4.556 0.000 0.000 0.282 295 H C -0.547 174.897 175.328 0.193 0.000 1.122 295 H CA -0.505 55.620 56.048 0.127 0.000 1.293 295 H CB -0.079 29.734 29.762 0.085 0.000 1.415 295 H HN 0.259 nan 8.280 nan 0.000 0.472 296 L N 5.467 126.621 121.223 -0.115 0.000 2.305 296 L HA 0.353 4.693 4.340 0.000 0.000 0.281 296 L C 0.607 177.321 176.870 -0.259 0.000 1.085 296 L CA -0.517 54.289 54.840 -0.057 0.000 0.813 296 L CB 1.155 43.207 42.059 -0.012 0.000 1.157 296 L HN 0.479 nan 8.230 nan 0.000 0.436 297 R N 3.580 123.996 120.500 -0.139 0.000 2.196 297 R HA 0.441 4.781 4.340 0.000 0.000 0.340 297 R C -0.329 175.958 176.300 -0.022 0.000 1.043 297 R CA -0.346 55.686 56.100 -0.114 0.000 0.883 297 R CB 0.666 30.941 30.300 -0.042 0.000 1.078 297 R HN 0.511 nan 8.270 nan 0.000 0.462 298 L N 0.000 121.214 121.223 -0.015 0.000 2.949 298 L HA 0.000 4.340 4.340 0.000 0.000 0.249 298 L CA 0.000 54.860 54.840 0.034 0.000 0.813 298 L CB 0.000 42.083 42.059 0.040 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502