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 1qnf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAAPILFWHR RDLRLSDNIG LAAARAQSAQ LIGLFCLDPQ ILQSADMAPA DATA SEQUENCE RVAYLQGCLQ ELQQRYQQAG SRLLLLQGDP QHLIPQLAQQ LQAEAVYWNQ DATA SEQUENCE DIEPYGRDRD GQVAAALKTA GIRAVQLWDQ LLHSPDQILS GSGNPYSVYG DATA SEQUENCE PFWKNWQAQP KPTPVATPTE LVDLSPEQLT AIAPLLLSEL PTLKQLGFDW DATA SEQUENCE DGGFPVEPGE TAAIARLQEF CDRAIADYDP QRNFPAEAGT SGLSPALKFG DATA SEQUENCE AIGIRQAWQA ASAAHALSRS DEARNSIRVW QQELAWREFY QHALYHFPSL DATA SEQUENCE ADGPYRSLWQ QFPWENREAL FTAWTQAQTG YPIVDAAMRQ LTETGWMHNR DATA SEQUENCE CRMIVASFLT KDLIIDWRRG EQFFMQHLVD GDLAANNGGW QWSASSGMDP DATA SEQUENCE KPLRIFNPAS QAKKFDATAT YIKRWLPELR HVHPKDLISG EITPIERRGY DATA SEQUENCE PAPIVNHNLR QKQFKALYNQ LKAAI 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.607 32.600 0.011 0.000 1.302 2 A N -0.261 122.568 122.820 0.016 0.000 5.997 2 A HA 0.389 4.709 4.320 -0.000 0.000 0.222 2 A C -0.019 177.578 177.584 0.022 0.000 2.407 2 A CA 0.325 52.373 52.037 0.018 0.000 0.697 2 A CB -2.382 16.630 19.000 0.020 0.000 0.841 2 A HN 2.381 nan 8.150 nan 0.000 0.335 3 A N 1.077 123.912 122.820 0.024 0.000 2.455 3 A HA 0.552 4.872 4.320 -0.000 0.000 0.244 3 A C -1.585 176.019 177.584 0.034 0.000 1.099 3 A CA 0.195 52.248 52.037 0.028 0.000 0.786 3 A CB -0.712 18.305 19.000 0.029 0.000 1.051 3 A HN 1.133 nan 8.150 nan 0.000 0.508 4 P HA 0.375 nan 4.420 nan 0.000 0.279 4 P C -0.954 176.382 177.300 0.061 0.000 1.239 4 P CA 0.208 63.335 63.100 0.045 0.000 0.789 4 P CB 0.763 32.487 31.700 0.040 0.000 0.933 5 I N 3.372 123.983 120.570 0.068 0.000 2.406 5 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 5 I C 0.212 176.405 176.117 0.126 0.000 0.999 5 I CA -1.034 60.323 61.300 0.096 0.000 1.124 5 I CB 1.508 39.529 38.000 0.036 0.000 1.289 5 I HN 0.125 nan 8.210 nan 0.000 0.441 6 L N 6.308 127.632 121.223 0.168 0.000 2.289 6 L HA 0.415 4.755 4.340 -0.000 0.000 0.285 6 L C -0.815 176.223 176.870 0.280 0.000 1.049 6 L CA -0.490 54.459 54.840 0.182 0.000 0.804 6 L CB 1.322 43.457 42.059 0.126 0.000 1.195 6 L HN 0.432 nan 8.230 nan 0.000 0.428 7 F N 3.219 123.278 119.950 0.182 0.000 2.426 7 F HA 0.355 4.882 4.527 -0.000 0.000 0.348 7 F C -0.764 175.190 175.800 0.258 0.000 1.124 7 F CA -0.720 57.406 58.000 0.210 0.000 1.008 7 F CB 1.131 40.199 39.000 0.112 0.000 1.139 7 F HN 0.426 nan 8.300 nan 0.000 0.452 8 W N 8.206 129.155 121.300 -0.586 0.000 2.342 8 W HA 0.352 5.012 4.660 -0.000 0.000 0.310 8 W C -1.000 175.290 176.519 -0.381 0.000 1.128 8 W CA -1.023 56.123 57.345 -0.332 0.000 1.322 8 W CB -0.197 29.113 29.460 -0.250 0.000 1.251 8 W HN 0.559 nan 8.180 nan 0.000 0.439 9 H N 4.799 124.015 119.070 0.244 0.000 2.525 9 H HA 0.377 4.932 4.556 -0.000 0.000 0.339 9 H C 0.560 175.973 175.328 0.140 0.000 1.109 9 H CA 0.222 56.444 56.048 0.290 0.000 1.352 9 H CB 1.559 31.645 29.762 0.539 0.000 1.461 9 H HN 0.379 nan 8.280 nan 0.000 0.533 10 R N 0.682 121.306 120.500 0.207 0.000 3.749 10 R HA 0.176 4.516 4.340 -0.000 0.000 0.142 10 R C 0.221 176.757 176.300 0.393 0.000 0.750 10 R CA 0.064 56.259 56.100 0.158 0.000 1.004 10 R CB 0.394 30.544 30.300 -0.250 0.000 1.509 10 R HN 0.559 nan 8.270 nan 0.000 0.494 11 R N 1.728 122.396 120.500 0.279 0.000 2.698 11 R HA 0.335 4.674 4.340 -0.000 0.000 0.422 11 R C -0.993 175.494 176.300 0.311 0.000 1.073 11 R CA -0.092 56.208 56.100 0.334 0.000 1.054 11 R CB 0.201 30.608 30.300 0.178 0.000 1.373 11 R HN 0.084 nan 8.270 nan 0.000 0.593 12 D N 0.802 121.422 120.400 0.366 0.000 2.945 12 D HA 0.150 4.790 4.640 -0.000 0.000 0.340 12 D C 0.165 176.716 176.300 0.420 0.000 1.240 12 D CA -0.354 53.862 54.000 0.359 0.000 0.749 12 D CB 0.081 41.099 40.800 0.364 0.000 1.217 12 D HN -0.005 nan 8.370 nan 0.000 0.514 13 L N 1.739 123.130 121.223 0.281 0.000 2.376 13 L HA 0.300 4.640 4.340 -0.000 0.000 0.250 13 L C 0.583 177.474 176.870 0.035 0.000 1.335 13 L CA 0.086 54.986 54.840 0.099 0.000 1.214 13 L CB -0.858 41.187 42.059 -0.024 0.000 1.395 13 L HN 0.250 nan 8.230 nan 0.000 0.424 14 R N 0.080 120.620 120.500 0.068 0.000 2.712 14 R HA 0.348 4.688 4.340 -0.000 0.000 0.272 14 R C -0.719 175.592 176.300 0.018 0.000 1.032 14 R CA -1.027 55.084 56.100 0.020 0.000 0.874 14 R CB 1.065 31.398 30.300 0.056 0.000 1.256 14 R HN -0.030 nan 8.270 nan 0.000 0.468 15 L N 0.751 121.933 121.223 -0.068 0.000 2.470 15 L HA 0.229 4.569 4.340 -0.000 0.000 0.219 15 L C 0.354 177.171 176.870 -0.089 0.000 1.071 15 L CA 1.087 55.845 54.840 -0.136 0.000 0.850 15 L CB 0.485 42.402 42.059 -0.236 0.000 1.040 15 L HN 0.824 nan 8.230 nan 0.000 0.475 16 S N -1.245 114.427 115.700 -0.046 0.000 2.601 16 S HA 0.237 4.706 4.470 -0.000 0.000 0.271 16 S C 0.354 174.957 174.600 0.004 0.000 1.305 16 S CA -0.352 57.834 58.200 -0.024 0.000 1.022 16 S CB 1.018 64.213 63.200 -0.008 0.000 0.940 16 S HN 0.281 nan 8.310 nan 0.000 0.525 17 D N 0.906 121.310 120.400 0.007 0.000 2.720 17 D HA -0.264 4.376 4.640 -0.000 0.000 0.229 17 D C -0.429 175.892 176.300 0.035 0.000 1.198 17 D CA 0.296 54.312 54.000 0.027 0.000 0.639 17 D CB -0.751 40.081 40.800 0.053 0.000 1.003 17 D HN 0.393 nan 8.370 nan 0.000 0.411 18 N N 1.687 120.388 118.700 0.002 0.000 2.518 18 N HA 0.225 4.964 4.740 -0.000 0.000 0.254 18 N C 1.426 176.929 175.510 -0.012 0.000 0.979 18 N CA -0.555 52.496 53.050 0.003 0.000 0.930 18 N CB 0.207 38.659 38.487 -0.058 0.000 1.152 18 N HN -0.143 nan 8.380 nan 0.000 0.505 19 I N 2.365 122.965 120.570 0.049 0.000 2.091 19 I HA -0.205 3.964 4.170 -0.000 0.000 0.239 19 I C 2.238 178.402 176.117 0.078 0.000 1.061 19 I CA 1.596 62.933 61.300 0.062 0.000 1.317 19 I CB -1.354 36.703 38.000 0.094 0.000 1.031 19 I HN 0.592 nan 8.210 nan 0.000 0.401 20 G N 0.504 109.398 108.800 0.156 0.000 2.422 20 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 20 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 20 G C 1.743 176.709 174.900 0.109 0.000 1.146 20 G CA 0.472 45.769 45.100 0.329 0.000 0.769 20 G HN 0.281 nan 8.290 nan 0.000 0.547 21 L N 1.434 122.418 121.223 -0.398 0.000 2.056 21 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 21 L C 2.022 178.725 176.870 -0.278 0.000 1.078 21 L CA 0.042 54.480 54.840 -0.671 0.000 0.749 21 L CB -0.033 41.557 42.059 -0.782 0.000 0.901 21 L HN -0.383 nan 8.230 nan 0.000 0.433 22 A N -0.234 122.491 122.820 -0.158 0.000 1.898 22 A HA -0.072 4.247 4.320 -0.000 0.000 0.216 22 A C 2.263 179.807 177.584 -0.066 0.000 1.181 22 A CA 0.506 52.488 52.037 -0.092 0.000 0.620 22 A CB -0.303 18.669 19.000 -0.047 0.000 0.819 22 A HN 0.148 nan 8.150 nan 0.000 0.442 23 A N -0.130 122.680 122.820 -0.017 0.000 1.933 23 A HA 0.175 4.494 4.320 -0.000 0.000 0.218 23 A C 2.469 179.990 177.584 -0.104 0.000 1.175 23 A CA 1.990 54.049 52.037 0.036 0.000 0.628 23 A CB -0.906 18.210 19.000 0.194 0.000 0.814 23 A HN 1.006 nan 8.150 nan 0.000 0.444 24 A N -0.230 122.381 122.820 -0.348 0.000 1.898 24 A HA -0.117 4.202 4.320 -0.000 0.000 0.216 24 A C 2.151 179.553 177.584 -0.305 0.000 1.181 24 A CA 1.946 53.558 52.037 -0.708 0.000 0.620 24 A CB -0.407 18.143 19.000 -0.750 0.000 0.819 24 A HN 0.437 nan 8.150 nan 0.000 0.442 25 R N 0.335 120.724 120.500 -0.185 0.000 2.193 25 R HA 0.021 4.361 4.340 -0.000 0.000 0.229 25 R C 1.820 178.077 176.300 -0.073 0.000 1.110 25 R CA 1.559 57.596 56.100 -0.104 0.000 0.988 25 R CB -0.717 29.532 30.300 -0.085 0.000 0.871 25 R HN 0.386 nan 8.270 nan 0.000 0.458 26 A N -0.331 122.447 122.820 -0.070 0.000 2.167 26 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 26 A C 1.517 179.088 177.584 -0.022 0.000 1.151 26 A CA 0.782 52.800 52.037 -0.032 0.000 0.735 26 A CB -0.094 18.898 19.000 -0.013 0.000 0.802 26 A HN 0.322 nan 8.150 nan 0.000 0.467 27 Q N -1.107 118.667 119.800 -0.044 0.000 2.373 27 Q HA 0.189 4.529 4.340 -0.000 0.000 0.210 27 Q C 0.306 176.299 176.000 -0.012 0.000 0.913 27 Q CA 0.857 56.653 55.803 -0.012 0.000 0.911 27 Q CB 0.475 29.219 28.738 0.010 0.000 1.040 27 Q HN 0.474 nan 8.270 nan 0.000 0.521 28 S N -1.773 113.908 115.700 -0.032 0.000 2.552 28 S HA 0.232 4.702 4.470 -0.000 0.000 0.272 28 S C 0.143 174.736 174.600 -0.012 0.000 1.150 28 S CA -0.669 57.524 58.200 -0.011 0.000 0.849 28 S CB 0.837 64.039 63.200 0.003 0.000 1.113 28 S HN -0.245 nan 8.310 nan 0.000 0.458 29 A N 3.032 125.853 122.820 0.002 0.000 2.132 29 A HA 0.328 4.648 4.320 -0.000 0.000 0.213 29 A C 0.877 178.476 177.584 0.026 0.000 1.154 29 A CA 0.470 52.512 52.037 0.009 0.000 0.753 29 A CB -0.024 18.982 19.000 0.010 0.000 0.826 29 A HN 0.399 nan 8.150 nan 0.000 0.469 30 Q N 0.681 120.497 119.800 0.027 0.000 3.184 30 Q HA 0.331 4.670 4.340 -0.000 0.000 0.288 30 Q C -1.057 174.973 176.000 0.051 0.000 1.412 30 Q CA -0.292 55.535 55.803 0.039 0.000 0.991 30 Q CB -0.391 28.367 28.738 0.033 0.000 1.688 30 Q HN 0.339 nan 8.270 nan 0.000 0.554 31 L N 4.109 125.374 121.223 0.071 0.000 2.262 31 L HA 0.428 4.768 4.340 -0.000 0.000 0.288 31 L C -1.282 175.681 176.870 0.155 0.000 1.035 31 L CA -0.450 54.452 54.840 0.104 0.000 0.820 31 L CB 0.957 43.072 42.059 0.094 0.000 1.204 31 L HN 0.350 nan 8.230 nan 0.000 0.424 32 I N 4.771 125.414 120.570 0.122 0.000 2.378 32 I HA 0.489 4.659 4.170 -0.000 0.000 0.291 32 I C 0.807 176.944 176.117 0.033 0.000 0.992 32 I CA -0.440 60.890 61.300 0.051 0.000 1.154 32 I CB 1.102 39.118 38.000 0.027 0.000 1.315 32 I HN 0.664 nan 8.210 nan 0.000 0.448 33 G N 6.329 114.971 108.800 -0.262 0.000 2.425 33 G HA2 0.719 4.679 3.960 -0.000 0.000 0.302 33 G HA3 0.719 4.679 3.960 -0.000 0.000 0.302 33 G C -0.756 174.131 174.900 -0.021 0.000 1.159 33 G CA -0.457 44.559 45.100 -0.140 0.000 0.865 33 G HN 0.644 nan 8.290 nan 0.000 0.515 34 L N -1.006 120.356 121.223 0.232 0.000 2.424 34 L HA 0.927 5.267 4.340 -0.000 0.000 0.258 34 L C -1.602 175.514 176.870 0.410 0.000 0.995 34 L CA -1.219 53.745 54.840 0.206 0.000 0.821 34 L CB 2.496 44.599 42.059 0.073 0.000 1.383 34 L HN 0.433 nan 8.230 nan 0.000 0.410 35 F N 2.078 122.138 119.950 0.183 0.000 2.569 35 F HA 0.686 5.213 4.527 -0.000 0.000 0.312 35 F C -1.051 174.841 175.800 0.154 0.000 1.109 35 F CA -0.833 57.311 58.000 0.241 0.000 0.919 35 F CB 1.848 40.946 39.000 0.163 0.000 1.211 35 F HN 0.887 nan 8.300 nan 0.000 0.446 36 C N 8.443 127.492 119.300 -0.417 0.000 2.271 36 C HA 0.592 5.051 4.460 -0.000 0.000 0.323 36 C C -0.360 174.473 174.990 -0.263 0.000 1.245 36 C CA -0.888 57.989 59.018 -0.234 0.000 1.548 36 C CB -0.778 26.832 27.740 -0.216 0.000 2.214 36 C HN 0.771 nan 8.230 nan 0.000 0.477 37 L N 5.816 127.049 121.223 0.018 0.000 2.530 37 L HA 0.206 4.545 4.340 -0.000 0.000 0.273 37 L C 0.308 177.214 176.870 0.059 0.000 1.141 37 L CA 0.530 55.448 54.840 0.130 0.000 0.905 37 L CB 0.044 42.214 42.059 0.185 0.000 1.202 37 L HN 0.660 nan 8.230 nan 0.000 0.473 38 D N 6.071 126.508 120.400 0.061 0.000 2.359 38 D HA 0.224 4.864 4.640 -0.000 0.000 0.230 38 D C -1.702 174.640 176.300 0.070 0.000 1.118 38 D CA -2.167 51.872 54.000 0.066 0.000 0.844 38 D CB 1.963 42.821 40.800 0.096 0.000 1.059 38 D HN 0.150 nan 8.370 nan 0.000 0.493 39 P HA -0.119 nan 4.420 nan 0.000 0.218 39 P C 1.155 178.472 177.300 0.029 0.000 1.148 39 P CA 1.061 64.192 63.100 0.051 0.000 0.822 39 P CB 0.323 32.048 31.700 0.041 0.000 0.784 40 Q N -1.201 118.609 119.800 0.017 0.000 2.226 40 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 40 Q C 1.913 177.829 176.000 -0.139 0.000 0.975 40 Q CA 1.033 56.807 55.803 -0.049 0.000 0.866 40 Q CB -0.318 28.398 28.738 -0.037 0.000 0.915 40 Q HN 0.357 nan 8.270 nan 0.000 0.440 41 I N -0.547 119.961 120.570 -0.102 0.000 2.512 41 I HA -0.169 4.001 4.170 -0.000 0.000 0.247 41 I C 1.895 178.017 176.117 0.009 0.000 1.094 41 I CA 0.456 61.698 61.300 -0.097 0.000 1.427 41 I CB -0.051 37.925 38.000 -0.041 0.000 1.149 41 I HN 0.115 nan 8.210 nan 0.000 0.438 42 L N 0.484 121.746 121.223 0.065 0.000 2.265 42 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 42 L C 1.970 178.943 176.870 0.172 0.000 1.117 42 L CA 1.264 56.183 54.840 0.131 0.000 0.782 42 L CB -0.356 41.800 42.059 0.161 0.000 0.914 42 L HN 0.362 nan 8.230 nan 0.000 0.441 43 Q N -1.146 118.712 119.800 0.098 0.000 2.319 43 Q HA 0.087 4.426 4.340 -0.000 0.000 0.202 43 Q C 0.793 176.826 176.000 0.055 0.000 0.896 43 Q CA -0.203 55.649 55.803 0.081 0.000 0.942 43 Q CB 0.706 29.471 28.738 0.046 0.000 1.083 43 Q HN 0.269 nan 8.270 nan 0.000 0.510 44 S N -0.037 115.689 115.700 0.043 0.000 2.585 44 S HA 0.264 4.733 4.470 -0.000 0.000 0.273 44 S C 1.073 175.699 174.600 0.043 0.000 1.339 44 S CA 0.108 58.318 58.200 0.017 0.000 1.028 44 S CB 1.217 64.404 63.200 -0.021 0.000 0.906 44 S HN 0.358 nan 8.310 nan 0.000 0.528 45 A N 2.753 125.589 122.820 0.028 0.000 2.209 45 A HA 0.065 4.385 4.320 -0.000 0.000 0.212 45 A C 1.217 178.820 177.584 0.032 0.000 1.158 45 A CA 0.892 52.951 52.037 0.037 0.000 0.742 45 A CB -0.348 18.670 19.000 0.030 0.000 0.790 45 A HN 0.832 nan 8.150 nan 0.000 0.472 46 D N -0.344 120.067 120.400 0.018 0.000 2.328 46 D HA 0.142 4.781 4.640 -0.000 0.000 0.226 46 D C 0.505 176.802 176.300 -0.005 0.000 1.066 46 D CA -0.035 53.968 54.000 0.006 0.000 0.861 46 D CB 0.159 40.958 40.800 -0.001 0.000 0.912 46 D HN 0.301 nan 8.370 nan 0.000 0.521 47 M N 0.270 119.883 119.600 0.020 0.000 2.250 47 M HA 0.267 4.747 4.480 -0.000 0.000 0.344 47 M C 0.336 176.602 176.300 -0.056 0.000 1.150 47 M CA -0.732 54.566 55.300 -0.003 0.000 1.147 47 M CB 0.691 33.338 32.600 0.078 0.000 1.498 47 M HN -0.382 nan 8.290 nan 0.000 0.461 48 A N 4.211 126.938 122.820 -0.155 0.000 2.331 48 A HA 0.675 4.994 4.320 -0.000 0.000 0.320 48 A C -2.067 175.337 177.584 -0.301 0.000 1.138 48 A CA -1.367 50.524 52.037 -0.244 0.000 0.790 48 A CB 0.877 19.717 19.000 -0.266 0.000 1.206 48 A HN 0.553 nan 8.150 nan 0.000 0.470 49 P HA -0.148 nan 4.420 nan 0.000 0.216 49 P C 1.658 178.682 177.300 -0.461 0.000 1.150 49 P CA 2.126 65.125 63.100 -0.168 0.000 0.837 49 P CB 0.277 32.086 31.700 0.181 0.000 0.786 50 A N -0.308 121.948 122.820 -0.939 0.000 1.933 50 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 50 A C 2.391 179.715 177.584 -0.434 0.000 1.175 50 A CA 1.599 52.790 52.037 -1.410 0.000 0.628 50 A CB -1.104 16.947 19.000 -1.582 0.000 0.814 50 A HN 0.027 nan 8.150 nan 0.000 0.444 51 R N -0.621 119.709 120.500 -0.283 0.000 2.092 51 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 51 R C 1.867 178.152 176.300 -0.025 0.000 1.119 51 R CA 1.499 57.586 56.100 -0.022 0.000 0.970 51 R CB -0.270 30.032 30.300 0.004 0.000 0.864 51 R HN 0.312 nan 8.270 nan 0.000 0.440 52 V N 0.700 120.476 119.914 -0.230 0.000 2.453 52 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 52 V C 2.361 178.343 176.094 -0.186 0.000 1.048 52 V CA 1.750 63.870 62.300 -0.299 0.000 1.049 52 V CB -0.481 30.918 31.823 -0.706 0.000 0.672 52 V HN 0.501 nan 8.190 nan 0.000 0.457 53 A N -0.788 121.981 122.820 -0.085 0.000 1.902 53 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 53 A C 2.163 179.760 177.584 0.023 0.000 1.181 53 A CA 2.140 54.241 52.037 0.107 0.000 0.623 53 A CB -0.764 18.457 19.000 0.367 0.000 0.818 53 A HN 0.629 nan 8.150 nan 0.000 0.443 54 Y N -0.072 120.152 120.300 -0.128 0.000 2.200 54 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 54 Y C 2.049 177.652 175.900 -0.494 0.000 1.137 54 Y CA 1.730 59.580 58.100 -0.418 0.000 1.163 54 Y CB -0.288 38.025 38.460 -0.245 0.000 0.988 54 Y HN 0.269 nan 8.280 nan 0.000 0.518 55 L N 0.646 121.563 121.223 -0.510 0.000 2.012 55 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 55 L C 2.398 178.921 176.870 -0.579 0.000 1.073 55 L CA 2.163 56.522 54.840 -0.801 0.000 0.748 55 L CB -1.229 40.423 42.059 -0.678 0.000 0.891 55 L HN 0.342 nan 8.230 nan 0.000 0.431 56 Q N -0.292 119.280 119.800 -0.381 0.000 2.170 56 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 56 Q C 1.978 177.801 176.000 -0.295 0.000 0.976 56 Q CA 1.731 57.367 55.803 -0.278 0.000 0.858 56 Q CB -0.410 28.242 28.738 -0.143 0.000 0.907 56 Q HN 0.690 nan 8.270 nan 0.000 0.433 57 G N -0.346 108.235 108.800 -0.366 0.000 2.421 57 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 57 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 57 G C 1.629 176.274 174.900 -0.426 0.000 1.143 57 G CA 0.739 45.619 45.100 -0.366 0.000 0.784 57 G HN 0.420 nan 8.290 nan 0.000 0.541 58 C N 0.305 119.262 119.300 -0.572 0.000 2.446 58 C HA 0.119 4.579 4.460 -0.000 0.000 0.277 58 C C 2.874 177.650 174.990 -0.356 0.000 1.275 58 C CA 0.349 59.075 59.018 -0.487 0.000 1.727 58 C CB -0.961 26.450 27.740 -0.550 0.000 2.010 58 C HN 0.423 nan 8.230 nan 0.000 0.486 59 L N 0.300 121.288 121.223 -0.392 0.000 2.046 59 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 59 L C 2.777 179.523 176.870 -0.207 0.000 1.077 59 L CA 1.513 56.153 54.840 -0.333 0.000 0.747 59 L CB -0.830 40.981 42.059 -0.414 0.000 0.896 59 L HN 0.461 nan 8.230 nan 0.000 0.432 60 Q N -0.146 119.540 119.800 -0.191 0.000 2.061 60 Q HA -0.299 4.041 4.340 -0.000 0.000 0.204 60 Q C 2.162 178.098 176.000 -0.106 0.000 0.984 60 Q CA 2.097 57.826 55.803 -0.124 0.000 0.846 60 Q CB -0.171 28.498 28.738 -0.116 0.000 0.902 60 Q HN 0.497 nan 8.270 nan 0.000 0.421 61 E N 0.061 120.179 120.200 -0.136 0.000 2.072 61 E HA -0.157 4.192 4.350 -0.000 0.000 0.191 61 E C 1.754 178.304 176.600 -0.083 0.000 0.985 61 E CA 0.253 56.589 56.400 -0.107 0.000 0.801 61 E CB 0.157 29.781 29.700 -0.128 0.000 0.750 61 E HN 0.053 nan 8.360 nan 0.000 0.452 62 L N 1.248 122.411 121.223 -0.101 0.000 2.079 62 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 62 L C 1.615 178.525 176.870 0.066 0.000 1.081 62 L CA 0.876 55.686 54.840 -0.050 0.000 0.752 62 L CB -0.290 41.706 42.059 -0.105 0.000 0.896 62 L HN -0.076 nan 8.230 nan 0.000 0.433 63 Q N -1.168 118.648 119.800 0.027 0.000 2.096 63 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 63 Q C 2.188 178.235 176.000 0.078 0.000 0.982 63 Q CA 2.190 58.031 55.803 0.064 0.000 0.850 63 Q CB -0.135 28.608 28.738 0.009 0.000 0.901 63 Q HN 0.681 nan 8.270 nan 0.000 0.422 64 Q N -0.238 119.577 119.800 0.026 0.000 2.046 64 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 64 Q C 2.117 178.127 176.000 0.016 0.000 0.975 64 Q CA 0.724 56.536 55.803 0.015 0.000 0.836 64 Q CB -0.098 28.632 28.738 -0.013 0.000 0.896 64 Q HN 0.248 nan 8.270 nan 0.000 0.428 65 R N 0.078 120.570 120.500 -0.012 0.000 2.091 65 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 65 R C 2.038 178.294 176.300 -0.072 0.000 1.136 65 R CA 1.359 57.419 56.100 -0.067 0.000 0.959 65 R CB -0.619 29.601 30.300 -0.133 0.000 0.856 65 R HN 0.372 nan 8.270 nan 0.000 0.437 66 Y N 1.647 121.941 120.300 -0.010 0.000 2.163 66 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 66 Y C 2.755 178.661 175.900 0.010 0.000 1.136 66 Y CA 1.489 59.596 58.100 0.012 0.000 1.147 66 Y CB -0.291 38.188 38.460 0.031 0.000 0.987 66 Y HN 0.143 nan 8.280 nan 0.000 0.509 67 Q N -0.306 119.592 119.800 0.163 0.000 2.061 67 Q HA -0.294 4.046 4.340 -0.000 0.000 0.204 67 Q C 2.182 178.215 176.000 0.055 0.000 0.984 67 Q CA 1.939 57.798 55.803 0.093 0.000 0.846 67 Q CB -0.272 28.503 28.738 0.061 0.000 0.902 67 Q HN 0.596 nan 8.270 nan 0.000 0.421 68 Q N -0.341 119.477 119.800 0.030 0.000 2.167 68 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 68 Q C 1.929 177.930 176.000 0.001 0.000 0.970 68 Q CA 1.190 56.997 55.803 0.007 0.000 0.855 68 Q CB -0.071 28.661 28.738 -0.011 0.000 0.911 68 Q HN 0.362 nan 8.270 nan 0.000 0.438 69 A N -0.398 122.419 122.820 -0.005 0.000 2.066 69 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 69 A C 0.969 178.566 177.584 0.023 0.000 1.157 69 A CA 0.135 52.163 52.037 -0.015 0.000 0.670 69 A CB 0.043 19.001 19.000 -0.070 0.000 0.804 69 A HN 0.223 nan 8.150 nan 0.000 0.453 70 G N -1.711 107.120 108.800 0.052 0.000 2.367 70 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.181 70 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.181 70 G C -0.110 174.838 174.900 0.081 0.000 1.000 70 G CA -0.828 44.305 45.100 0.055 0.000 0.693 70 G HN 0.003 nan 8.290 nan 0.000 0.480 71 S N -0.504 115.276 115.700 0.134 0.000 4.413 71 S HA 0.480 4.950 4.470 -0.000 0.000 0.213 71 S C -1.361 173.318 174.600 0.132 0.000 1.104 71 S CA -0.658 57.621 58.200 0.132 0.000 1.790 71 S CB 0.696 63.986 63.200 0.151 0.000 0.973 71 S HN -0.124 nan 8.310 nan 0.000 0.757 72 R N -0.680 119.878 120.500 0.095 0.000 2.728 72 R HA 0.702 5.042 4.340 -0.000 0.000 0.274 72 R C -2.318 173.840 176.300 -0.236 0.000 1.030 72 R CA -0.965 55.144 56.100 0.015 0.000 0.876 72 R CB 0.766 31.067 30.300 0.002 0.000 1.259 72 R HN 0.565 nan 8.270 nan 0.000 0.468 73 L N 1.990 123.092 121.223 -0.201 0.000 2.280 73 L HA 0.462 4.802 4.340 -0.000 0.000 0.287 73 L C -1.118 175.699 176.870 -0.089 0.000 1.023 73 L CA -0.586 54.082 54.840 -0.286 0.000 0.819 73 L CB 1.357 43.336 42.059 -0.133 0.000 1.212 73 L HN 0.592 nan 8.230 nan 0.000 0.420 74 L N 5.745 126.932 121.223 -0.059 0.000 2.371 74 L HA 0.382 4.722 4.340 -0.000 0.000 0.272 74 L C -0.512 176.386 176.870 0.046 0.000 1.124 74 L CA -0.341 54.496 54.840 -0.006 0.000 0.816 74 L CB 0.945 42.997 42.059 -0.012 0.000 1.129 74 L HN 0.562 nan 8.230 nan 0.000 0.448 75 L N 3.903 125.155 121.223 0.048 0.000 2.362 75 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 75 L C -0.840 176.062 176.870 0.054 0.000 0.998 75 L CA -0.531 54.362 54.840 0.089 0.000 0.820 75 L CB 1.904 44.016 42.059 0.087 0.000 1.270 75 L HN 0.369 nan 8.230 nan 0.000 0.415 76 L N 2.671 123.925 121.223 0.053 0.000 2.309 76 L HA 0.601 4.941 4.340 -0.000 0.000 0.261 76 L C -0.580 176.305 176.870 0.025 0.000 1.021 76 L CA -0.350 54.494 54.840 0.007 0.000 0.823 76 L CB 2.012 44.038 42.059 -0.055 0.000 1.366 76 L HN 0.518 nan 8.230 nan 0.000 0.423 77 Q N 0.192 119.998 119.800 0.010 0.000 2.269 77 Q HA 0.653 4.993 4.340 -0.000 0.000 0.263 77 Q C -0.735 175.267 176.000 0.005 0.000 0.983 77 Q CA -0.041 55.777 55.803 0.025 0.000 0.777 77 Q CB 1.807 30.570 28.738 0.042 0.000 1.273 77 Q HN 0.889 nan 8.270 nan 0.000 0.440 78 G N 2.510 111.312 108.800 0.003 0.000 2.350 78 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.276 78 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.276 78 G C -1.810 173.092 174.900 0.002 0.000 1.313 78 G CA -0.672 44.427 45.100 -0.002 0.000 0.903 78 G HN 0.597 nan 8.290 nan 0.000 0.490 79 D N 1.279 121.686 120.400 0.012 0.000 2.339 79 D HA 0.472 5.112 4.640 -0.000 0.000 0.256 79 D C -0.322 175.974 176.300 -0.007 0.000 1.214 79 D CA -1.519 52.506 54.000 0.043 0.000 0.877 79 D CB 1.615 42.478 40.800 0.104 0.000 1.111 79 D HN 0.066 nan 8.370 nan 0.000 0.478 80 P HA -0.194 nan 4.420 nan 0.000 0.218 80 P C 0.877 178.024 177.300 -0.255 0.000 1.149 80 P CA 1.086 64.048 63.100 -0.231 0.000 0.817 80 P CB 0.343 31.907 31.700 -0.225 0.000 0.785 81 Q N -0.740 118.966 119.800 -0.156 0.000 2.181 81 Q HA -0.181 4.159 4.340 -0.000 0.000 0.205 81 Q C 2.005 177.825 176.000 -0.300 0.000 0.980 81 Q CA 1.717 57.388 55.803 -0.219 0.000 0.862 81 Q CB -1.127 27.494 28.738 -0.195 0.000 0.905 81 Q HN 0.552 nan 8.270 nan 0.000 0.429 82 H N -1.260 117.737 119.070 -0.121 0.000 2.361 82 H HA 0.195 4.751 4.556 -0.000 0.000 0.308 82 H C 1.627 176.879 175.328 -0.127 0.000 1.053 82 H CA 0.661 56.647 56.048 -0.102 0.000 1.377 82 H CB 0.190 29.909 29.762 -0.071 0.000 1.434 82 H HN 0.040 nan 8.280 nan 0.000 0.548 83 L N 0.259 121.465 121.223 -0.029 0.000 2.156 83 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 83 L C 1.682 178.439 176.870 -0.187 0.000 1.095 83 L CA 0.430 55.210 54.840 -0.100 0.000 0.770 83 L CB -0.139 41.853 42.059 -0.113 0.000 0.914 83 L HN 0.333 nan 8.230 nan 0.000 0.439 84 I N 0.181 120.567 120.570 -0.307 0.000 2.202 84 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 84 I C -0.007 175.975 176.117 -0.226 0.000 1.091 84 I CA 1.571 62.640 61.300 -0.385 0.000 1.368 84 I CB -2.424 35.152 38.000 -0.705 0.000 1.058 84 I HN 0.157 nan 8.210 nan 0.000 0.410 85 P HA -0.139 nan 4.420 nan 0.000 0.216 85 P C 1.807 179.062 177.300 -0.075 0.000 1.153 85 P CA 1.368 64.404 63.100 -0.107 0.000 0.848 85 P CB -0.046 31.591 31.700 -0.104 0.000 0.787 86 Q N -0.939 118.818 119.800 -0.072 0.000 2.084 86 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 86 Q C 2.131 178.102 176.000 -0.048 0.000 0.978 86 Q CA 1.166 56.942 55.803 -0.045 0.000 0.844 86 Q CB -0.855 27.864 28.738 -0.031 0.000 0.898 86 Q HN 0.172 nan 8.270 nan 0.000 0.426 87 L N 0.450 121.632 121.223 -0.070 0.000 2.046 87 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 87 L C 2.157 179.001 176.870 -0.044 0.000 1.077 87 L CA 1.999 56.802 54.840 -0.062 0.000 0.747 87 L CB -0.580 41.425 42.059 -0.091 0.000 0.896 87 L HN 0.124 nan 8.230 nan 0.000 0.432 88 A N -1.236 121.554 122.820 -0.049 0.000 1.898 88 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 88 A C 2.221 179.799 177.584 -0.010 0.000 1.181 88 A CA 1.676 53.701 52.037 -0.020 0.000 0.620 88 A CB -0.577 18.416 19.000 -0.013 0.000 0.819 88 A HN 0.644 nan 8.150 nan 0.000 0.442 89 Q N -0.911 118.878 119.800 -0.018 0.000 2.030 89 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 89 Q C 2.321 178.317 176.000 -0.007 0.000 0.986 89 Q CA 1.585 57.381 55.803 -0.011 0.000 0.843 89 Q CB -0.256 28.473 28.738 -0.014 0.000 0.904 89 Q HN 0.602 nan 8.270 nan 0.000 0.420 90 Q N 0.051 119.845 119.800 -0.011 0.000 2.197 90 Q HA -0.147 4.193 4.340 -0.000 0.000 0.207 90 Q C 1.752 177.750 176.000 -0.003 0.000 0.984 90 Q CA 0.983 56.781 55.803 -0.008 0.000 0.869 90 Q CB -0.100 28.631 28.738 -0.012 0.000 0.906 90 Q HN 0.222 nan 8.270 nan 0.000 0.426 91 L N 0.614 121.836 121.223 -0.002 0.000 2.592 91 L HA 0.093 4.433 4.340 -0.000 0.000 0.227 91 L C 0.695 177.571 176.870 0.011 0.000 1.127 91 L CA 0.579 55.422 54.840 0.006 0.000 0.884 91 L CB -0.436 41.627 42.059 0.007 0.000 1.065 91 L HN 0.288 nan 8.230 nan 0.000 0.457 92 Q N 0.256 120.061 119.800 0.009 0.000 2.423 92 Q HA -0.239 4.100 4.340 -0.000 0.000 0.332 92 Q C 0.207 176.220 176.000 0.022 0.000 1.355 92 Q CA 0.301 56.112 55.803 0.013 0.000 0.947 92 Q CB -0.723 28.022 28.738 0.011 0.000 1.189 92 Q HN 0.516 nan 8.270 nan 0.000 0.418 93 A N 0.645 123.481 122.820 0.027 0.000 2.498 93 A HA -0.019 4.301 4.320 -0.000 0.000 0.239 93 A C 0.837 178.452 177.584 0.051 0.000 1.068 93 A CA 0.603 52.666 52.037 0.044 0.000 0.766 93 A CB 0.456 19.488 19.000 0.053 0.000 1.003 93 A HN 0.683 nan 8.150 nan 0.000 0.497 94 E N 0.623 120.861 120.200 0.063 0.000 2.152 94 E HA 0.196 4.546 4.350 -0.000 0.000 0.192 94 E C 0.541 177.193 176.600 0.086 0.000 0.983 94 E CA 1.051 57.490 56.400 0.066 0.000 0.818 94 E CB 0.074 29.815 29.700 0.068 0.000 0.758 94 E HN 0.866 nan 8.360 nan 0.000 0.467 95 A N -0.525 122.372 122.820 0.129 0.000 2.601 95 A HA 0.505 4.825 4.320 -0.000 0.000 0.291 95 A C -1.558 176.158 177.584 0.220 0.000 1.075 95 A CA -0.679 51.452 52.037 0.156 0.000 0.671 95 A CB 1.787 20.928 19.000 0.234 0.000 1.277 95 A HN -0.039 nan 8.150 nan 0.000 0.417 96 V N 1.262 121.290 119.914 0.189 0.000 2.444 96 V HA 0.526 4.646 4.120 -0.000 0.000 0.294 96 V C -1.384 174.849 176.094 0.232 0.000 1.022 96 V CA -0.405 62.061 62.300 0.277 0.000 0.850 96 V CB 1.072 33.073 31.823 0.296 0.000 0.992 96 V HN 0.736 nan 8.190 nan 0.000 0.426 97 Y N 3.994 124.356 120.300 0.104 0.000 2.387 97 Y HA 0.767 5.317 4.550 -0.000 0.000 0.336 97 Y C -0.106 175.720 175.900 -0.122 0.000 1.067 97 Y CA -0.759 57.335 58.100 -0.010 0.000 1.114 97 Y CB 1.890 40.472 38.460 0.204 0.000 1.208 97 Y HN 0.838 nan 8.280 nan 0.000 0.458 98 W N 0.610 121.782 121.300 -0.213 0.000 3.066 98 W HA 0.566 5.226 4.660 0.000 0.000 0.330 98 W C -2.253 174.115 176.519 -0.253 0.000 1.253 98 W CA -1.366 55.684 57.345 -0.493 0.000 1.187 98 W CB 0.674 29.836 29.460 -0.496 0.000 1.434 98 W HN 0.403 nan 8.180 nan 0.000 0.572 99 N N 2.654 121.411 118.700 0.095 0.000 2.438 99 N HA 0.164 4.904 4.740 -0.000 0.000 0.282 99 N C -0.017 175.472 175.510 -0.035 0.000 1.037 99 N CA -0.556 52.515 53.050 0.035 0.000 0.942 99 N CB 1.003 39.576 38.487 0.143 0.000 1.136 99 N HN 0.249 nan 8.380 nan 0.000 0.481 100 Q N 1.460 121.064 119.800 -0.326 0.000 2.474 100 Q HA 0.033 4.373 4.340 -0.000 0.000 0.256 100 Q C -0.003 175.806 176.000 -0.317 0.000 1.048 100 Q CA 0.525 56.029 55.803 -0.500 0.000 0.922 100 Q CB 0.734 28.663 28.738 -1.348 0.000 1.288 100 Q HN 0.317 nan 8.270 nan 0.000 0.484 101 D N -0.283 120.028 120.400 -0.149 0.000 2.585 101 D HA 0.288 4.927 4.640 -0.000 0.000 0.254 101 D C 0.510 176.954 176.300 0.241 0.000 1.067 101 D CA -0.705 53.339 54.000 0.074 0.000 1.090 101 D CB 1.105 41.920 40.800 0.025 0.000 1.408 101 D HN 0.241 nan 8.370 nan 0.000 0.554 102 I N -2.021 118.717 120.570 0.280 0.000 4.181 102 I HA 0.397 4.566 4.170 -0.000 0.000 0.331 102 I C 0.162 176.397 176.117 0.196 0.000 1.312 102 I CA 0.102 61.602 61.300 0.334 0.000 1.146 102 I CB 0.151 38.324 38.000 0.288 0.000 1.074 102 I HN -0.074 nan 8.210 nan 0.000 0.402 103 E N 2.829 123.113 120.200 0.140 0.000 2.354 103 E HA 0.137 4.487 4.350 -0.000 0.000 0.269 103 E C -1.701 174.955 176.600 0.093 0.000 1.036 103 E CA -1.538 54.931 56.400 0.113 0.000 0.876 103 E CB 0.546 30.316 29.700 0.117 0.000 1.009 103 E HN 0.031 nan 8.360 nan 0.000 0.416 104 P HA -0.232 nan 4.420 nan 0.000 0.215 104 P C 1.047 178.391 177.300 0.073 0.000 1.157 104 P CA 1.226 64.366 63.100 0.067 0.000 0.874 104 P CB -0.011 31.737 31.700 0.081 0.000 0.790 105 Y N 0.620 120.930 120.300 0.018 0.000 2.097 105 Y HA -0.167 4.383 4.550 -0.000 0.000 0.282 105 Y C 2.475 178.374 175.900 -0.001 0.000 1.152 105 Y CA 2.226 60.333 58.100 0.011 0.000 1.136 105 Y CB -1.212 37.257 38.460 0.014 0.000 0.975 105 Y HN -0.131 nan 8.280 nan 0.000 0.498 106 G N 0.306 109.091 108.800 -0.026 0.000 2.446 106 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 106 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 106 G C 2.158 176.956 174.900 -0.172 0.000 1.168 106 G CA -0.153 44.862 45.100 -0.141 0.000 0.771 106 G HN 0.230 nan 8.290 nan 0.000 0.551 107 R N 0.510 120.964 120.500 -0.077 0.000 2.096 107 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 107 R C 1.637 177.889 176.300 -0.081 0.000 1.127 107 R CA 0.597 56.668 56.100 -0.049 0.000 0.968 107 R CB -0.098 30.199 30.300 -0.005 0.000 0.861 107 R HN 0.364 nan 8.270 nan 0.000 0.440 108 D N 0.191 120.515 120.400 -0.126 0.000 2.097 108 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 108 D C 1.862 178.060 176.300 -0.170 0.000 0.984 108 D CA 0.892 54.818 54.000 -0.124 0.000 0.826 108 D CB -0.261 40.470 40.800 -0.115 0.000 0.973 108 D HN 0.142 nan 8.370 nan 0.000 0.460 109 R N 0.910 121.220 120.500 -0.317 0.000 2.096 109 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 109 R C 1.257 177.461 176.300 -0.160 0.000 1.139 109 R CA 1.791 57.710 56.100 -0.302 0.000 0.952 109 R CB -0.119 29.893 30.300 -0.480 0.000 0.854 109 R HN 0.018 nan 8.270 nan 0.000 0.436 110 D N -0.578 119.733 120.400 -0.148 0.000 2.144 110 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 110 D C 1.731 178.099 176.300 0.114 0.000 0.984 110 D CA 1.540 55.518 54.000 -0.037 0.000 0.834 110 D CB -0.541 40.286 40.800 0.045 0.000 0.955 110 D HN 0.547 nan 8.370 nan 0.000 0.465 111 G N 0.419 109.244 108.800 0.041 0.000 2.402 111 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 111 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 111 G C 1.559 176.474 174.900 0.026 0.000 1.162 111 G CA 0.364 45.492 45.100 0.047 0.000 0.777 111 G HN 0.163 nan 8.290 nan 0.000 0.539 112 Q N 0.229 120.017 119.800 -0.021 0.000 2.050 112 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 112 Q C 2.992 178.966 176.000 -0.044 0.000 0.980 112 Q CA 1.141 56.916 55.803 -0.046 0.000 0.840 112 Q CB -0.798 27.892 28.738 -0.081 0.000 0.898 112 Q HN 0.388 nan 8.270 nan 0.000 0.424 113 V N 1.454 121.341 119.914 -0.046 0.000 2.287 113 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 113 V C 2.453 178.600 176.094 0.087 0.000 1.053 113 V CA 1.879 64.144 62.300 -0.057 0.000 1.027 113 V CB -1.152 30.568 31.823 -0.171 0.000 0.646 113 V HN 0.350 nan 8.190 nan 0.000 0.447 114 A N -0.071 122.890 122.820 0.236 0.000 1.908 114 A HA -0.157 4.162 4.320 -0.000 0.000 0.218 114 A C 2.431 180.068 177.584 0.089 0.000 1.181 114 A CA 2.250 54.439 52.037 0.253 0.000 0.627 114 A CB -0.816 18.323 19.000 0.231 0.000 0.818 114 A HN 0.591 nan 8.150 nan 0.000 0.445 115 A N -0.157 122.691 122.820 0.046 0.000 1.877 115 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 115 A C 2.527 180.105 177.584 -0.009 0.000 1.186 115 A CA 2.200 54.242 52.037 0.007 0.000 0.620 115 A CB -1.076 17.919 19.000 -0.008 0.000 0.822 115 A HN 1.107 nan 8.150 nan 0.000 0.443 116 A N -0.387 122.418 122.820 -0.025 0.000 1.933 116 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 116 A C 2.174 179.742 177.584 -0.027 0.000 1.175 116 A CA 1.482 53.490 52.037 -0.049 0.000 0.628 116 A CB -0.581 18.360 19.000 -0.098 0.000 0.814 116 A HN 0.478 nan 8.150 nan 0.000 0.444 117 L N -0.819 120.405 121.223 0.003 0.000 2.056 117 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 117 L C 2.616 179.489 176.870 0.005 0.000 1.078 117 L CA 1.929 56.778 54.840 0.015 0.000 0.749 117 L CB -0.396 41.703 42.059 0.066 0.000 0.901 117 L HN 0.501 nan 8.230 nan 0.000 0.433 118 K N -0.114 120.288 120.400 0.003 0.000 2.026 118 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 118 K C 1.993 178.587 176.600 -0.010 0.000 1.048 118 K CA 1.934 58.216 56.287 -0.007 0.000 0.929 118 K CB -0.164 32.330 32.500 -0.010 0.000 0.713 118 K HN 0.081 nan 8.250 nan 0.000 0.439 119 T N 0.427 114.974 114.554 -0.012 0.000 2.737 119 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 119 T C 1.601 176.293 174.700 -0.013 0.000 1.040 119 T CA 1.472 63.563 62.100 -0.015 0.000 1.142 119 T CB -0.319 68.537 68.868 -0.020 0.000 0.861 119 T HN 0.444 nan 8.240 nan 0.000 0.456 120 A N 0.173 122.985 122.820 -0.013 0.000 2.259 120 A HA 0.512 4.832 4.320 -0.000 0.000 0.208 120 A C 1.843 179.424 177.584 -0.006 0.000 1.201 120 A CA 0.731 52.761 52.037 -0.011 0.000 0.824 120 A CB -0.815 18.176 19.000 -0.014 0.000 0.838 120 A HN 0.717 nan 8.150 nan 0.000 0.485 121 G N -0.761 108.035 108.800 -0.006 0.000 2.179 121 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.257 121 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.257 121 G C 0.022 174.921 174.900 -0.001 0.000 1.010 121 G CA 0.605 45.703 45.100 -0.004 0.000 0.736 121 G HN 0.518 nan 8.290 nan 0.000 0.513 122 I N -0.036 120.534 120.570 0.001 0.000 2.404 122 I HA 0.384 4.554 4.170 -0.000 0.000 0.293 122 I C 0.836 176.953 176.117 -0.000 0.000 0.992 122 I CA -1.074 60.231 61.300 0.008 0.000 1.149 122 I CB 1.567 39.578 38.000 0.018 0.000 1.315 122 I HN 0.167 nan 8.210 nan 0.000 0.446 123 R N 5.182 125.677 120.500 -0.009 0.000 2.442 123 R HA 0.583 4.922 4.340 -0.000 0.000 0.291 123 R C -0.736 175.510 176.300 -0.090 0.000 1.069 123 R CA -0.228 55.841 56.100 -0.053 0.000 1.022 123 R CB 0.800 31.066 30.300 -0.057 0.000 0.976 123 R HN 0.758 nan 8.270 nan 0.000 0.443 124 A N 4.982 127.699 122.820 -0.171 0.000 2.291 124 A HA 0.400 4.720 4.320 -0.000 0.000 0.311 124 A C -0.893 176.351 177.584 -0.567 0.000 1.224 124 A CA -0.729 51.116 52.037 -0.319 0.000 0.821 124 A CB 1.433 20.294 19.000 -0.232 0.000 1.172 124 A HN 0.645 nan 8.150 nan 0.000 0.494 125 V N 2.202 121.639 119.914 -0.795 0.000 2.448 125 V HA 0.652 4.772 4.120 -0.000 0.000 0.295 125 V C -0.722 174.809 176.094 -0.937 0.000 1.025 125 V CA -0.405 61.396 62.300 -0.832 0.000 0.859 125 V CB 1.303 32.571 31.823 -0.925 0.000 0.988 125 V HN 0.852 nan 8.190 nan 0.000 0.431 126 Q N 6.314 125.621 119.800 -0.823 0.000 2.341 126 Q HA 0.660 4.999 4.340 -0.000 0.000 0.268 126 Q C -1.099 174.590 176.000 -0.520 0.000 1.013 126 Q CA -0.468 54.824 55.803 -0.851 0.000 0.798 126 Q CB 2.455 30.685 28.738 -0.847 0.000 1.253 126 Q HN 0.796 nan 8.270 nan 0.000 0.457 127 L N 1.208 122.204 121.223 -0.378 0.000 2.313 127 L HA 0.386 4.725 4.340 -0.000 0.000 0.268 127 L C -0.706 176.002 176.870 -0.269 0.000 1.010 127 L CA -1.165 53.537 54.840 -0.230 0.000 0.814 127 L CB 1.034 43.069 42.059 -0.040 0.000 1.304 127 L HN 0.100 nan 8.230 nan 0.000 0.441 128 W N 1.632 122.918 121.300 -0.023 0.000 2.338 128 W HA 0.124 4.784 4.660 -0.000 0.000 0.307 128 W C 0.358 176.885 176.519 0.013 0.000 1.167 128 W CA -0.579 56.755 57.345 -0.017 0.000 1.208 128 W CB 1.062 30.491 29.460 -0.052 0.000 1.228 128 W HN -0.095 nan 8.180 nan 0.000 0.499 129 D N 1.367 121.955 120.400 0.313 0.000 2.331 129 D HA -0.146 4.494 4.640 -0.000 0.000 0.300 129 D C 2.046 178.467 176.300 0.201 0.000 1.090 129 D CA 0.134 54.261 54.000 0.212 0.000 0.905 129 D CB -0.028 40.881 40.800 0.183 0.000 1.600 129 D HN 0.482 nan 8.370 nan 0.000 0.511 130 Q N 1.128 121.073 119.800 0.241 0.000 2.482 130 Q HA 0.228 4.568 4.340 -0.000 0.000 0.209 130 Q C 0.530 176.638 176.000 0.181 0.000 0.961 130 Q CA 0.662 56.587 55.803 0.203 0.000 0.945 130 Q CB 0.155 29.017 28.738 0.206 0.000 1.012 130 Q HN 0.422 nan 8.270 nan 0.000 0.515 131 L N -0.136 121.191 121.223 0.172 0.000 2.370 131 L HA 0.209 4.548 4.340 -0.000 0.000 0.266 131 L C 1.111 177.995 176.870 0.023 0.000 1.002 131 L CA -0.585 54.336 54.840 0.135 0.000 0.818 131 L CB 1.338 43.477 42.059 0.133 0.000 1.325 131 L HN -0.489 nan 8.230 nan 0.000 0.418 132 L N 1.053 122.246 121.223 -0.050 0.000 2.093 132 L HA -0.070 4.269 4.340 -0.000 0.000 0.208 132 L C 0.651 177.062 176.870 -0.765 0.000 1.085 132 L CA 0.836 55.408 54.840 -0.447 0.000 0.755 132 L CB 0.036 41.669 42.059 -0.709 0.000 0.904 132 L HN -0.009 nan 8.230 nan 0.000 0.435 133 H N -0.523 118.509 119.070 -0.063 0.000 2.689 133 H HA 0.194 4.750 4.556 -0.000 0.000 0.346 133 H C -0.173 175.115 175.328 -0.068 0.000 1.037 133 H CA -1.400 54.581 56.048 -0.112 0.000 1.234 133 H CB 1.232 30.868 29.762 -0.209 0.000 1.572 133 H HN -0.183 nan 8.280 nan 0.000 0.524 134 S N 2.924 118.473 115.700 -0.251 0.000 2.593 134 S HA 0.122 4.591 4.470 -0.000 0.000 0.269 134 S C -1.710 172.404 174.600 -0.810 0.000 1.334 134 S CA -0.950 56.739 58.200 -0.853 0.000 1.015 134 S CB 1.523 64.004 63.200 -1.199 0.000 0.912 134 S HN 0.292 nan 8.310 nan 0.000 0.541 135 P HA -0.037 nan 4.420 nan 0.000 0.219 135 P C 0.474 177.564 177.300 -0.349 0.000 1.146 135 P CA 1.041 63.442 63.100 -1.166 0.000 0.808 135 P CB 0.001 30.692 31.700 -1.680 0.000 0.779 136 D N -1.392 118.790 120.400 -0.364 0.000 2.289 136 D HA -0.089 4.551 4.640 -0.000 0.000 0.207 136 D C 1.903 178.168 176.300 -0.059 0.000 0.966 136 D CA 0.698 54.644 54.000 -0.090 0.000 0.868 136 D CB -0.164 40.602 40.800 -0.056 0.000 0.943 136 D HN 0.300 nan 8.370 nan 0.000 0.514 137 Q N -0.066 119.674 119.800 -0.100 0.000 2.212 137 Q HA -0.007 4.332 4.340 -0.000 0.000 0.199 137 Q C 0.120 176.101 176.000 -0.033 0.000 0.950 137 Q CA 0.487 56.251 55.803 -0.066 0.000 0.863 137 Q CB 0.532 29.222 28.738 -0.079 0.000 0.944 137 Q HN 0.056 nan 8.270 nan 0.000 0.465 138 I N 2.926 123.537 120.570 0.069 0.000 2.282 138 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 138 I C -0.570 175.684 176.117 0.230 0.000 1.090 138 I CA 0.108 61.494 61.300 0.144 0.000 1.231 138 I CB 0.241 38.394 38.000 0.255 0.000 1.434 138 I HN 0.157 nan 8.210 nan 0.000 0.487 139 L N 3.996 125.280 121.223 0.101 0.000 2.376 139 L HA 0.488 4.827 4.340 -0.000 0.000 0.258 139 L C 0.643 177.427 176.870 -0.142 0.000 1.013 139 L CA -0.716 54.084 54.840 -0.068 0.000 0.822 139 L CB 2.435 44.445 42.059 -0.083 0.000 1.388 139 L HN 0.537 nan 8.230 nan 0.000 0.413 140 S N -0.197 115.248 115.700 -0.425 0.000 2.617 140 S HA 0.171 4.641 4.470 -0.000 0.000 0.259 140 S C 1.242 175.775 174.600 -0.111 0.000 1.301 140 S CA 0.037 58.059 58.200 -0.296 0.000 0.984 140 S CB 1.057 64.004 63.200 -0.420 0.000 0.954 140 S HN 0.832 nan 8.310 nan 0.000 0.572 141 G N 0.144 108.914 108.800 -0.051 0.000 2.462 141 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.220 141 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.220 141 G C 1.115 175.989 174.900 -0.045 0.000 1.121 141 G CA 0.742 45.821 45.100 -0.035 0.000 0.758 141 G HN 0.716 nan 8.290 nan 0.000 0.559 142 S N -0.162 115.502 115.700 -0.060 0.000 2.593 142 S HA 0.361 4.831 4.470 -0.000 0.000 0.217 142 S C 1.631 176.194 174.600 -0.061 0.000 0.966 142 S CA 0.562 58.732 58.200 -0.050 0.000 0.914 142 S CB 0.179 63.354 63.200 -0.042 0.000 0.776 142 S HN 1.208 nan 8.310 nan 0.000 0.523 143 G N 2.373 111.123 108.800 -0.084 0.000 2.182 143 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.248 143 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.248 143 G C -0.404 174.430 174.900 -0.110 0.000 1.042 143 G CA -0.406 44.645 45.100 -0.083 0.000 0.775 143 G HN 0.439 nan 8.290 nan 0.000 0.501 144 N N 0.484 119.084 118.700 -0.166 0.000 2.292 144 N HA 0.595 5.335 4.740 -0.000 0.000 0.303 144 N C -2.608 172.712 175.510 -0.316 0.000 1.140 144 N CA -1.405 51.533 53.050 -0.187 0.000 0.788 144 N CB 2.675 41.095 38.487 -0.112 0.000 1.361 144 N HN 0.088 nan 8.380 nan 0.000 0.489 145 P HA 0.168 nan 4.420 nan 0.000 0.274 145 P C -0.915 176.340 177.300 -0.076 0.000 1.237 145 P CA 0.088 62.990 63.100 -0.331 0.000 0.793 145 P CB 0.519 31.804 31.700 -0.692 0.000 0.977 146 Y N -0.133 120.320 120.300 0.256 0.000 2.310 146 Y HA 0.209 4.759 4.550 -0.000 0.000 0.326 146 Y C 1.652 177.797 175.900 0.408 0.000 1.151 146 Y CA 0.265 58.562 58.100 0.329 0.000 1.195 146 Y CB 1.037 39.747 38.460 0.417 0.000 1.210 146 Y HN 0.332 nan 8.280 nan 0.000 0.483 147 S N -0.345 115.648 115.700 0.489 0.000 2.650 147 S HA 0.439 4.908 4.470 -0.000 0.000 0.240 147 S C -0.495 174.352 174.600 0.412 0.000 1.007 147 S CA -0.312 58.118 58.200 0.385 0.000 0.984 147 S CB -0.229 63.065 63.200 0.157 0.000 0.910 147 S HN 0.265 nan 8.310 nan 0.000 0.509 148 V N 2.115 122.262 119.914 0.389 0.000 2.623 148 V HA 0.350 4.470 4.120 -0.000 0.000 0.304 148 V C 0.302 176.323 176.094 -0.122 0.000 1.054 148 V CA -0.898 61.498 62.300 0.160 0.000 0.882 148 V CB 1.482 33.395 31.823 0.151 0.000 1.002 148 V HN 0.335 nan 8.190 nan 0.000 0.424 149 Y N 4.488 124.373 120.300 -0.691 0.000 2.128 149 Y HA -0.131 4.419 4.550 -0.000 0.000 0.284 149 Y C 2.030 177.651 175.900 -0.466 0.000 1.154 149 Y CA 2.497 59.944 58.100 -1.088 0.000 1.149 149 Y CB -0.416 37.201 38.460 -1.405 0.000 0.976 149 Y HN 0.755 nan 8.280 nan 0.000 0.505 150 G N 0.490 109.141 108.800 -0.249 0.000 2.719 150 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.219 150 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.219 150 G C -0.482 174.274 174.900 -0.240 0.000 1.234 150 G CA 1.446 46.439 45.100 -0.178 0.000 0.788 150 G HN 0.381 nan 8.290 nan 0.000 0.619 151 P HA -0.072 nan 4.420 nan 0.000 0.216 151 P C 1.616 178.483 177.300 -0.722 0.000 1.150 151 P CA 0.790 63.731 63.100 -0.265 0.000 0.837 151 P CB -0.136 31.570 31.700 0.010 0.000 0.786 152 F N -0.688 118.652 119.950 -1.018 0.000 2.102 152 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 152 F C 2.270 177.658 175.800 -0.688 0.000 1.105 152 F CA 1.289 58.625 58.000 -1.107 0.000 1.239 152 F CB -0.808 37.813 39.000 -0.632 0.000 0.991 152 F HN -0.033 nan 8.300 nan 0.000 0.474 153 W N 1.971 122.787 121.300 -0.807 0.000 2.358 153 W HA -0.258 4.402 4.660 0.000 0.000 0.303 153 W C 1.849 178.117 176.519 -0.418 0.000 1.208 153 W CA 1.895 58.801 57.345 -0.731 0.000 1.274 153 W CB -0.309 28.548 29.460 -1.006 0.000 1.138 153 W HN 0.044 nan 8.180 nan 0.000 0.515 154 K N 0.293 120.338 120.400 -0.592 0.000 2.097 154 K HA -0.231 4.088 4.320 -0.000 0.000 0.206 154 K C 1.937 178.221 176.600 -0.525 0.000 1.049 154 K CA 1.699 57.649 56.287 -0.562 0.000 0.933 154 K CB -0.593 31.729 32.500 -0.298 0.000 0.717 154 K HN 0.049 nan 8.250 nan 0.000 0.442 155 N N 0.356 118.751 118.700 -0.508 0.000 2.083 155 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 155 N C 1.607 176.811 175.510 -0.509 0.000 1.047 155 N CA 1.237 54.027 53.050 -0.434 0.000 0.845 155 N CB -0.472 37.794 38.487 -0.369 0.000 1.025 155 N HN 0.300 nan 8.380 nan 0.000 0.428 156 W N 2.393 123.179 121.300 -0.857 0.000 2.302 156 W HA -0.237 4.423 4.660 0.000 0.000 0.320 156 W C 2.588 178.692 176.519 -0.692 0.000 1.241 156 W CA 2.721 59.580 57.345 -0.811 0.000 1.264 156 W CB -0.525 28.407 29.460 -0.879 0.000 1.154 156 W HN 0.308 nan 8.180 nan 0.000 0.483 157 Q N 0.095 119.584 119.800 -0.518 0.000 2.226 157 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 157 Q C 1.789 177.510 176.000 -0.465 0.000 0.975 157 Q CA 1.860 57.297 55.803 -0.609 0.000 0.866 157 Q CB -0.486 27.517 28.738 -1.225 0.000 0.915 157 Q HN 0.345 nan 8.270 nan 0.000 0.440 158 A N 0.527 123.073 122.820 -0.458 0.000 2.218 158 A HA 0.070 4.389 4.320 -0.000 0.000 0.209 158 A C 0.626 178.004 177.584 -0.344 0.000 1.168 158 A CA -0.148 51.687 52.037 -0.336 0.000 0.804 158 A CB 0.146 18.974 19.000 -0.286 0.000 0.834 158 A HN 0.303 nan 8.150 nan 0.000 0.482 159 Q N 1.292 120.794 119.800 -0.497 0.000 2.288 159 Q HA 0.260 4.600 4.340 -0.000 0.000 0.254 159 Q C -2.479 173.311 176.000 -0.350 0.000 0.932 159 Q CA -2.109 53.384 55.803 -0.517 0.000 0.902 159 Q CB 0.570 28.708 28.738 -0.999 0.000 1.203 159 Q HN 0.259 nan 8.270 nan 0.000 0.415 160 P HA -0.005 nan 4.420 nan 0.000 0.265 160 P C -0.457 176.771 177.300 -0.121 0.000 1.193 160 P CA 0.187 63.207 63.100 -0.133 0.000 0.765 160 P CB 0.650 32.293 31.700 -0.095 0.000 0.823 161 K N 3.958 124.273 120.400 -0.143 0.000 2.172 161 K HA 0.374 4.694 4.320 -0.000 0.000 0.276 161 K C -1.749 174.760 176.600 -0.152 0.000 1.013 161 K CA -1.561 54.572 56.287 -0.258 0.000 0.913 161 K CB 0.401 32.714 32.500 -0.311 0.000 1.055 161 K HN 0.449 nan 8.250 nan 0.000 0.461 162 P HA 0.184 nan 4.420 nan 0.000 0.276 162 P C -0.415 176.866 177.300 -0.031 0.000 1.244 162 P CA -0.367 62.674 63.100 -0.097 0.000 0.801 162 P CB 0.721 32.351 31.700 -0.116 0.000 1.006 163 T N 2.073 116.630 114.554 0.005 0.000 2.928 163 T HA 0.386 4.736 4.350 -0.000 0.000 0.284 163 T C -2.273 172.449 174.700 0.038 0.000 1.008 163 T CA -1.148 60.976 62.100 0.040 0.000 1.057 163 T CB 0.318 69.207 68.868 0.034 0.000 1.018 163 T HN 0.324 nan 8.240 nan 0.000 0.493 164 P HA 0.126 nan 4.420 nan 0.000 0.266 164 P C -0.486 176.832 177.300 0.031 0.000 1.195 164 P CA -0.358 62.772 63.100 0.050 0.000 0.768 164 P CB 0.260 31.996 31.700 0.060 0.000 0.838 165 V N 0.152 120.080 119.914 0.023 0.000 3.134 165 V HA 0.779 4.898 4.120 -0.000 0.000 0.313 165 V C 0.236 176.330 176.094 0.000 0.000 1.069 165 V CA -1.241 61.065 62.300 0.010 0.000 1.048 165 V CB 0.744 32.570 31.823 0.006 0.000 1.119 165 V HN 0.610 nan 8.190 nan 0.000 0.461 166 A N 1.413 124.228 122.820 -0.009 0.000 2.386 166 A HA 0.546 4.866 4.320 -0.000 0.000 0.248 166 A C 0.580 178.143 177.584 -0.036 0.000 1.082 166 A CA -0.070 51.956 52.037 -0.018 0.000 0.789 166 A CB -0.270 18.719 19.000 -0.018 0.000 1.025 166 A HN 1.022 nan 8.150 nan 0.000 0.490 167 T N 4.328 118.859 114.554 -0.039 0.000 2.794 167 T HA 0.445 4.794 4.350 -0.000 0.000 0.296 167 T C -2.175 172.483 174.700 -0.070 0.000 0.949 167 T CA -0.460 61.604 62.100 -0.061 0.000 1.101 167 T CB 0.514 69.349 68.868 -0.057 0.000 0.905 167 T HN 0.596 nan 8.240 nan 0.000 0.516 168 P HA 0.049 nan 4.420 nan 0.000 0.271 168 P C -0.091 177.165 177.300 -0.073 0.000 1.216 168 P CA -0.467 62.583 63.100 -0.084 0.000 0.776 168 P CB 0.598 32.235 31.700 -0.105 0.000 0.881 169 T N -1.105 113.420 114.554 -0.047 0.000 2.865 169 T HA 0.318 4.668 4.350 -0.000 0.000 0.294 169 T C 0.056 174.745 174.700 -0.018 0.000 1.119 169 T CA -0.468 61.612 62.100 -0.035 0.000 1.007 169 T CB 1.307 70.158 68.868 -0.029 0.000 1.225 169 T HN -0.281 nan 8.240 nan 0.000 0.515 170 E N -0.343 119.852 120.200 -0.009 0.000 2.297 170 E HA -0.183 4.167 4.350 -0.000 0.000 0.228 170 E C -0.313 176.293 176.600 0.010 0.000 1.213 170 E CA 0.099 56.499 56.400 0.001 0.000 0.712 170 E CB -0.863 28.836 29.700 -0.002 0.000 1.202 170 E HN 0.082 nan 8.360 nan 0.000 0.376 171 L N 0.230 121.465 121.223 0.020 0.000 2.453 171 L HA 0.243 4.583 4.340 -0.000 0.000 0.261 171 L C 0.898 177.794 176.870 0.042 0.000 1.179 171 L CA -0.369 54.495 54.840 0.040 0.000 0.813 171 L CB 0.415 42.519 42.059 0.075 0.000 1.110 171 L HN -0.542 nan 8.230 nan 0.000 0.466 172 V N -0.454 119.487 119.914 0.044 0.000 2.487 172 V HA 0.391 4.510 4.120 -0.000 0.000 0.298 172 V C -0.381 175.740 176.094 0.046 0.000 1.028 172 V CA -0.687 61.636 62.300 0.038 0.000 0.860 172 V CB 1.628 33.468 31.823 0.028 0.000 0.991 172 V HN 0.726 nan 8.190 nan 0.000 0.427 173 D N 3.765 124.190 120.400 0.043 0.000 2.384 173 D HA 0.313 4.953 4.640 -0.000 0.000 0.244 173 D C 0.151 176.470 176.300 0.031 0.000 1.251 173 D CA -0.025 53.999 54.000 0.041 0.000 0.961 173 D CB 0.959 41.782 40.800 0.037 0.000 1.116 173 D HN 0.710 nan 8.370 nan 0.000 0.484 174 L N 0.514 121.753 121.223 0.026 0.000 2.436 174 L HA 0.109 4.449 4.340 -0.000 0.000 0.265 174 L C 0.772 177.652 176.870 0.017 0.000 1.168 174 L CA -0.444 54.408 54.840 0.020 0.000 0.815 174 L CB 0.535 42.604 42.059 0.016 0.000 1.109 174 L HN -0.039 nan 8.230 nan 0.000 0.462 175 S N 2.102 117.811 115.700 0.015 0.000 2.645 175 S HA 0.410 4.880 4.470 -0.000 0.000 0.266 175 S C -1.793 172.813 174.600 0.010 0.000 1.258 175 S CA -1.068 57.139 58.200 0.012 0.000 0.990 175 S CB 0.416 63.623 63.200 0.011 0.000 0.967 175 S HN 0.021 nan 8.310 nan 0.000 0.556 176 P HA -0.068 nan 4.420 nan 0.000 0.218 176 P C 1.271 178.575 177.300 0.006 0.000 1.149 176 P CA 0.985 64.089 63.100 0.007 0.000 0.817 176 P CB 0.009 31.713 31.700 0.007 0.000 0.785 177 E N 0.378 120.581 120.200 0.006 0.000 2.077 177 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 177 E C 1.994 178.597 176.600 0.005 0.000 0.989 177 E CA 1.302 57.706 56.400 0.005 0.000 0.800 177 E CB -1.145 28.558 29.700 0.006 0.000 0.746 177 E HN 0.427 nan 8.360 nan 0.000 0.452 178 Q N 0.580 120.384 119.800 0.006 0.000 2.084 178 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 178 Q C 2.573 178.575 176.000 0.004 0.000 0.978 178 Q CA 1.018 56.825 55.803 0.006 0.000 0.844 178 Q CB -0.237 28.506 28.738 0.009 0.000 0.898 178 Q HN 0.238 nan 8.270 nan 0.000 0.426 179 L N 0.057 121.283 121.223 0.005 0.000 2.079 179 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 179 L C 2.364 179.235 176.870 0.001 0.000 1.081 179 L CA 1.174 56.016 54.840 0.003 0.000 0.752 179 L CB -0.599 41.463 42.059 0.005 0.000 0.896 179 L HN 0.260 nan 8.230 nan 0.000 0.433 180 T N -0.232 114.323 114.554 0.002 0.000 2.777 180 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 180 T C 2.038 176.737 174.700 -0.001 0.000 1.040 180 T CA 1.193 63.294 62.100 0.001 0.000 1.141 180 T CB -0.211 68.658 68.868 0.002 0.000 0.868 180 T HN 0.447 nan 8.240 nan 0.000 0.444 181 A N 1.616 124.436 122.820 -0.001 0.000 1.978 181 A HA -0.034 4.285 4.320 -0.000 0.000 0.220 181 A C 2.180 179.760 177.584 -0.005 0.000 1.170 181 A CA 1.551 53.587 52.037 -0.002 0.000 0.636 181 A CB -0.721 18.278 19.000 -0.001 0.000 0.810 181 A HN 0.758 nan 8.150 nan 0.000 0.448 182 I N -4.747 115.819 120.570 -0.006 0.000 4.057 182 I HA 0.447 4.617 4.170 -0.000 0.000 0.334 182 I C 2.031 178.142 176.117 -0.009 0.000 1.308 182 I CA 0.606 61.900 61.300 -0.010 0.000 1.125 182 I CB -0.180 37.812 38.000 -0.012 0.000 1.034 182 I HN 0.099 nan 8.210 nan 0.000 0.401 183 A N 3.491 126.308 122.820 -0.006 0.000 1.909 183 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 183 A C 0.442 178.022 177.584 -0.006 0.000 1.223 183 A CA 2.603 54.638 52.037 -0.004 0.000 0.658 183 A CB -2.407 16.591 19.000 -0.002 0.000 0.831 183 A HN 0.511 nan 8.150 nan 0.000 0.462 184 P HA -0.087 nan 4.420 nan 0.000 0.226 184 P C 1.079 178.372 177.300 -0.012 0.000 1.146 184 P CA 0.905 64.000 63.100 -0.009 0.000 0.773 184 P CB -0.136 31.558 31.700 -0.009 0.000 0.772 185 L N -1.805 119.409 121.223 -0.015 0.000 2.513 185 L HA 0.151 4.491 4.340 -0.000 0.000 0.222 185 L C 1.416 178.275 176.870 -0.018 0.000 1.096 185 L CA -0.028 54.799 54.840 -0.021 0.000 0.857 185 L CB -0.173 41.868 42.059 -0.031 0.000 1.026 185 L HN -0.107 nan 8.230 nan 0.000 0.469 186 L N 0.361 121.577 121.223 -0.011 0.000 2.421 186 L HA 0.267 4.606 4.340 -0.000 0.000 0.263 186 L C -0.428 176.444 176.870 0.004 0.000 1.122 186 L CA -0.764 54.074 54.840 -0.004 0.000 0.804 186 L CB 1.124 43.182 42.059 -0.002 0.000 1.150 186 L HN -0.090 nan 8.230 nan 0.000 0.457 187 L N 0.490 121.721 121.223 0.013 0.000 2.289 187 L HA 0.216 4.555 4.340 -0.000 0.000 0.285 187 L C 1.092 177.972 176.870 0.017 0.000 1.049 187 L CA 0.473 55.325 54.840 0.020 0.000 0.804 187 L CB 1.741 43.820 42.059 0.034 0.000 1.195 187 L HN 0.724 nan 8.230 nan 0.000 0.428 188 S N 1.601 117.310 115.700 0.015 0.000 2.436 188 S HA 0.154 4.624 4.470 -0.000 0.000 0.228 188 S C 0.263 174.871 174.600 0.014 0.000 1.014 188 S CA 0.249 58.456 58.200 0.013 0.000 0.950 188 S CB -0.130 63.076 63.200 0.011 0.000 0.784 188 S HN 0.684 nan 8.310 nan 0.000 0.504 189 E N -0.077 120.134 120.200 0.018 0.000 2.390 189 E HA 0.427 4.777 4.350 -0.000 0.000 0.277 189 E C -1.811 174.802 176.600 0.021 0.000 0.939 189 E CA -0.966 55.444 56.400 0.016 0.000 0.769 189 E CB 1.782 31.491 29.700 0.014 0.000 1.251 189 E HN 0.081 nan 8.360 nan 0.000 0.450 190 L N 4.058 125.289 121.223 0.014 0.000 2.418 190 L HA 0.233 4.572 4.340 -0.000 0.000 0.274 190 L C -2.205 174.675 176.870 0.017 0.000 1.135 190 L CA -0.925 53.922 54.840 0.011 0.000 0.870 190 L CB 0.082 42.132 42.059 -0.015 0.000 1.154 190 L HN 0.307 nan 8.230 nan 0.000 0.462 191 P HA 0.170 nan 4.420 nan 0.000 0.272 191 P C -0.693 176.629 177.300 0.036 0.000 1.230 191 P CA -0.405 62.718 63.100 0.039 0.000 0.788 191 P CB 0.365 32.099 31.700 0.057 0.000 0.949 192 T N -1.014 113.566 114.554 0.043 0.000 2.847 192 T HA 0.152 4.502 4.350 -0.000 0.000 0.279 192 T C 1.243 175.991 174.700 0.080 0.000 0.984 192 T CA -0.701 61.428 62.100 0.049 0.000 0.988 192 T CB 0.409 69.305 68.868 0.047 0.000 1.040 192 T HN 0.147 nan 8.240 nan 0.000 0.528 193 L N 1.021 122.302 121.223 0.097 0.000 2.046 193 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 193 L C 2.698 179.675 176.870 0.177 0.000 1.077 193 L CA 1.972 56.906 54.840 0.157 0.000 0.747 193 L CB -0.875 41.286 42.059 0.170 0.000 0.896 193 L HN 0.929 nan 8.230 nan 0.000 0.432 194 K N -1.559 118.915 120.400 0.123 0.000 2.148 194 K HA -0.184 4.135 4.320 -0.000 0.000 0.204 194 K C 1.836 178.479 176.600 0.072 0.000 1.050 194 K CA 1.472 57.817 56.287 0.095 0.000 0.942 194 K CB -0.534 32.007 32.500 0.069 0.000 0.724 194 K HN 0.440 nan 8.250 nan 0.000 0.446 195 Q N 0.450 120.293 119.800 0.072 0.000 2.170 195 Q HA -0.063 4.276 4.340 -0.000 0.000 0.203 195 Q C 1.501 177.541 176.000 0.067 0.000 0.976 195 Q CA 0.860 56.697 55.803 0.057 0.000 0.858 195 Q CB -0.062 28.708 28.738 0.053 0.000 0.907 195 Q HN 0.198 nan 8.270 nan 0.000 0.433 196 L N -0.708 120.587 121.223 0.119 0.000 2.599 196 L HA 0.122 4.462 4.340 -0.000 0.000 0.230 196 L C 1.212 178.117 176.870 0.058 0.000 1.141 196 L CA 1.339 56.279 54.840 0.167 0.000 0.877 196 L CB -0.367 41.883 42.059 0.319 0.000 1.009 196 L HN 0.380 nan 8.230 nan 0.000 0.447 197 G N -1.765 107.029 108.800 -0.009 0.000 2.136 197 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 197 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 197 G C 0.184 174.879 174.900 -0.343 0.000 0.989 197 G CA -0.019 44.967 45.100 -0.191 0.000 0.682 197 G HN 0.212 nan 8.290 nan 0.000 0.522 198 F N 0.875 120.859 119.950 0.057 0.000 2.575 198 F HA 0.697 5.224 4.527 -0.000 0.000 0.330 198 F C 0.151 176.012 175.800 0.102 0.000 1.056 198 F CA -0.378 57.668 58.000 0.076 0.000 0.964 198 F CB 1.781 40.826 39.000 0.075 0.000 1.258 198 F HN 0.190 nan 8.300 nan 0.000 0.484 199 D N -0.093 120.517 120.400 0.350 0.000 2.859 199 D HA 0.178 4.818 4.640 -0.000 0.000 0.223 199 D C -1.926 174.606 176.300 0.386 0.000 1.218 199 D CA -0.432 53.732 54.000 0.274 0.000 0.850 199 D CB 2.279 43.177 40.800 0.162 0.000 1.656 199 D HN 0.735 nan 8.370 nan 0.000 0.484 200 W N 2.558 123.906 121.300 0.079 0.000 3.326 200 W HA 0.285 4.945 4.660 -0.000 0.000 0.333 200 W C -1.691 174.823 176.519 -0.009 0.000 1.108 200 W CA -0.528 56.837 57.345 0.034 0.000 1.245 200 W CB 2.006 31.487 29.460 0.036 0.000 1.331 200 W HN 0.459 nan 8.180 nan 0.000 0.464 201 D N 1.881 121.766 120.400 -0.857 0.000 2.527 201 D HA 0.155 4.795 4.640 -0.000 0.000 0.224 201 D C 1.786 177.531 176.300 -0.924 0.000 1.217 201 D CA 0.188 53.784 54.000 -0.672 0.000 0.819 201 D CB 0.952 41.539 40.800 -0.355 0.000 1.061 201 D HN 0.452 nan 8.370 nan 0.000 0.515 202 G N 0.033 107.742 108.800 -1.817 0.000 2.920 202 G HA2 0.404 4.364 3.960 -0.000 0.000 0.208 202 G HA3 0.404 4.364 3.960 -0.000 0.000 0.208 202 G C 0.981 175.597 174.900 -0.474 0.000 1.159 202 G CA 0.225 44.645 45.100 -1.133 0.000 0.784 202 G HN 0.463 nan 8.290 nan 0.000 0.535 203 G N -0.956 107.540 108.800 -0.507 0.000 2.725 203 G HA2 0.020 3.979 3.960 -0.000 0.000 0.220 203 G HA3 0.020 3.979 3.960 -0.000 0.000 0.220 203 G C -0.629 174.027 174.900 -0.407 0.000 1.357 203 G CA -0.518 44.400 45.100 -0.304 0.000 0.866 203 G HN 0.503 nan 8.290 nan 0.000 0.548 204 F N -0.544 119.551 119.950 0.241 0.000 2.626 204 F HA 0.220 4.747 4.527 -0.000 0.000 0.311 204 F C -1.740 174.078 175.800 0.030 0.000 1.088 204 F CA -1.738 56.373 58.000 0.184 0.000 0.949 204 F CB 0.466 39.596 39.000 0.215 0.000 1.322 204 F HN -0.391 nan 8.300 nan 0.000 0.461 205 P HA -0.046 nan 4.420 nan 0.000 0.219 205 P C -0.233 177.009 177.300 -0.096 0.000 1.150 205 P CA 0.587 63.538 63.100 -0.247 0.000 0.814 205 P CB 0.389 31.731 31.700 -0.596 0.000 0.787 206 V N -0.799 119.145 119.914 0.050 0.000 2.932 206 V HA 0.269 4.389 4.120 -0.000 0.000 0.307 206 V C -1.523 174.683 176.094 0.186 0.000 1.147 206 V CA -1.173 61.177 62.300 0.084 0.000 0.951 206 V CB 2.119 33.967 31.823 0.042 0.000 1.031 206 V HN -0.444 nan 8.190 nan 0.000 0.426 207 E N 5.229 125.508 120.200 0.132 0.000 2.415 207 E HA 0.263 4.613 4.350 -0.000 0.000 0.262 207 E C -2.428 174.127 176.600 -0.075 0.000 1.038 207 E CA -1.598 54.840 56.400 0.064 0.000 0.921 207 E CB 0.434 30.163 29.700 0.049 0.000 0.950 207 E HN 0.543 nan 8.360 nan 0.000 0.438 208 P HA 0.225 nan 4.420 nan 0.000 0.269 208 P C -0.185 176.868 177.300 -0.413 0.000 1.215 208 P CA 0.381 63.050 63.100 -0.717 0.000 0.780 208 P CB 0.562 31.704 31.700 -0.931 0.000 0.898 209 G N 1.022 109.572 108.800 -0.417 0.000 2.576 209 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.686 209 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.686 209 G C 0.513 175.357 174.900 -0.093 0.000 1.242 209 G CA -0.146 44.820 45.100 -0.224 0.000 0.819 209 G HN 0.512 nan 8.290 nan 0.000 0.655 210 E N -0.414 119.743 120.200 -0.071 0.000 2.051 210 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 210 E C 2.414 179.008 176.600 -0.010 0.000 0.991 210 E CA 2.110 58.498 56.400 -0.020 0.000 0.799 210 E CB -0.138 29.544 29.700 -0.031 0.000 0.748 210 E HN 0.581 nan 8.360 nan 0.000 0.449 211 T N 0.549 115.087 114.554 -0.027 0.000 2.746 211 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 211 T C 1.832 176.531 174.700 -0.002 0.000 1.039 211 T CA 1.345 63.436 62.100 -0.015 0.000 1.142 211 T CB -0.272 68.582 68.868 -0.024 0.000 0.866 211 T HN 0.346 nan 8.240 nan 0.000 0.444 212 A N 1.310 124.126 122.820 -0.007 0.000 1.898 212 A HA 0.265 4.585 4.320 -0.000 0.000 0.216 212 A C 2.642 180.246 177.584 0.032 0.000 1.181 212 A CA 1.636 53.679 52.037 0.010 0.000 0.620 212 A CB -1.044 17.957 19.000 0.001 0.000 0.819 212 A HN 0.491 nan 8.150 nan 0.000 0.442 213 A N 0.045 122.892 122.820 0.045 0.000 1.902 213 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 213 A C 2.117 179.740 177.584 0.065 0.000 1.181 213 A CA 1.545 53.624 52.037 0.071 0.000 0.623 213 A CB -0.589 18.471 19.000 0.099 0.000 0.818 213 A HN 0.494 nan 8.150 nan 0.000 0.443 214 I N -0.419 120.183 120.570 0.053 0.000 2.252 214 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 214 I C 2.991 179.134 176.117 0.044 0.000 1.102 214 I CA 0.948 62.279 61.300 0.051 0.000 1.385 214 I CB -0.384 37.639 38.000 0.038 0.000 1.064 214 I HN 0.374 nan 8.210 nan 0.000 0.414 215 A N 1.060 123.901 122.820 0.034 0.000 1.883 215 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 215 A C 2.331 179.938 177.584 0.039 0.000 1.186 215 A CA 2.188 54.242 52.037 0.030 0.000 0.624 215 A CB -0.587 18.427 19.000 0.023 0.000 0.822 215 A HN 0.328 nan 8.150 nan 0.000 0.444 216 R N -0.248 120.278 120.500 0.044 0.000 2.073 216 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 216 R C 1.904 178.248 176.300 0.072 0.000 1.134 216 R CA 1.866 57.996 56.100 0.051 0.000 0.952 216 R CB -1.019 29.302 30.300 0.035 0.000 0.850 216 R HN 0.428 nan 8.270 nan 0.000 0.433 217 L N 0.880 122.148 121.223 0.074 0.000 2.012 217 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 217 L C 2.128 179.042 176.870 0.074 0.000 1.073 217 L CA 2.002 56.897 54.840 0.092 0.000 0.748 217 L CB -0.660 41.463 42.059 0.107 0.000 0.891 217 L HN 0.369 nan 8.230 nan 0.000 0.431 218 Q N -0.720 119.110 119.800 0.050 0.000 2.096 218 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 218 Q C 1.779 177.786 176.000 0.013 0.000 0.982 218 Q CA 1.251 57.068 55.803 0.023 0.000 0.850 218 Q CB -0.063 28.686 28.738 0.019 0.000 0.901 218 Q HN 0.292 nan 8.270 nan 0.000 0.422 219 E N -0.029 120.192 120.200 0.036 0.000 2.072 219 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 219 E C 1.675 178.298 176.600 0.040 0.000 0.985 219 E CA 0.140 56.559 56.400 0.032 0.000 0.801 219 E CB 0.044 29.773 29.700 0.047 0.000 0.750 219 E HN 0.184 nan 8.360 nan 0.000 0.452 220 F N 1.228 121.121 119.950 -0.095 0.000 2.171 220 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 220 F C 1.394 177.075 175.800 -0.199 0.000 1.090 220 F CA -0.486 57.426 58.000 -0.148 0.000 1.293 220 F CB 0.112 38.987 39.000 -0.208 0.000 1.013 220 F HN -0.295 nan 8.300 nan 0.000 0.486 221 C N 0.225 119.407 119.300 -0.197 0.000 2.481 221 C HA -0.051 4.409 4.460 -0.000 0.000 0.275 221 C C 2.059 176.915 174.990 -0.223 0.000 1.419 221 C CA 0.840 59.683 59.018 -0.292 0.000 1.773 221 C CB -1.158 26.479 27.740 -0.171 0.000 1.862 221 C HN 0.408 nan 8.230 nan 0.000 0.530 222 D N -0.298 120.010 120.400 -0.152 0.000 2.333 222 D HA 0.036 4.676 4.640 -0.000 0.000 0.208 222 D C 2.275 178.499 176.300 -0.126 0.000 0.984 222 D CA 0.731 54.664 54.000 -0.113 0.000 0.873 222 D CB 0.177 40.938 40.800 -0.065 0.000 0.935 222 D HN 0.415 nan 8.370 nan 0.000 0.521 223 R N -0.472 119.927 120.500 -0.168 0.000 4.494 223 R HA 0.397 4.736 4.340 -0.000 0.000 0.124 223 R C 1.911 178.075 176.300 -0.227 0.000 1.588 223 R CA 0.624 56.636 56.100 -0.147 0.000 1.083 223 R CB -1.179 29.072 30.300 -0.082 0.000 1.313 223 R HN -0.013 nan 8.270 nan 0.000 0.426 224 A N 2.643 125.306 122.820 -0.263 0.000 1.882 224 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 224 A C 2.162 179.411 177.584 -0.558 0.000 1.253 224 A CA 2.346 54.183 52.037 -0.333 0.000 0.664 224 A CB -1.198 17.691 19.000 -0.186 0.000 0.838 224 A HN 0.394 nan 8.150 nan 0.000 0.460 225 I N -0.623 119.222 120.570 -1.209 0.000 2.141 225 I HA -0.438 3.731 4.170 -0.000 0.000 0.243 225 I C 2.780 178.705 176.117 -0.320 0.000 1.035 225 I CA 1.886 62.608 61.300 -0.963 0.000 1.302 225 I CB -0.333 37.088 38.000 -0.966 0.000 1.006 225 I HN 0.460 nan 8.210 nan 0.000 0.413 226 A N -0.309 122.355 122.820 -0.260 0.000 1.971 226 A HA -0.305 4.015 4.320 -0.000 0.000 0.222 226 A C 1.679 179.242 177.584 -0.036 0.000 1.182 226 A CA 2.525 54.491 52.037 -0.118 0.000 0.649 226 A CB -0.598 18.334 19.000 -0.112 0.000 0.818 226 A HN 0.603 nan 8.150 nan 0.000 0.458 227 D N -2.971 117.413 120.400 -0.026 0.000 2.369 227 D HA 0.105 4.745 4.640 -0.000 0.000 0.211 227 D C 1.078 177.441 176.300 0.105 0.000 1.077 227 D CA -0.120 53.904 54.000 0.041 0.000 0.842 227 D CB -0.291 40.531 40.800 0.037 0.000 0.947 227 D HN 0.509 nan 8.370 nan 0.000 0.509 228 Y N 2.178 122.487 120.300 0.015 0.000 2.062 228 Y HA -0.326 4.224 4.550 -0.000 0.000 0.273 228 Y C 0.388 176.360 175.900 0.121 0.000 1.206 228 Y CA 1.125 59.297 58.100 0.120 0.000 1.125 228 Y CB 0.251 38.817 38.460 0.177 0.000 0.951 228 Y HN -0.474 nan 8.280 nan 0.000 0.501 229 D N 1.056 121.508 120.400 0.087 0.000 2.274 229 D HA 0.166 4.806 4.640 -0.000 0.000 0.239 229 D C -1.928 174.396 176.300 0.041 0.000 1.104 229 D CA -2.623 51.380 54.000 0.004 0.000 0.840 229 D CB 0.624 41.482 40.800 0.096 0.000 1.100 229 D HN -0.253 nan 8.370 nan 0.000 0.477 230 P HA 0.053 nan 4.420 nan 0.000 0.268 230 P C 0.789 178.058 177.300 -0.051 0.000 1.329 230 P CA -0.059 63.028 63.100 -0.022 0.000 0.899 230 P CB 0.719 32.462 31.700 0.072 0.000 1.378 231 Q N 1.078 120.902 119.800 0.040 0.000 2.248 231 Q HA -0.167 4.173 4.340 -0.000 0.000 0.208 231 Q C 2.132 178.133 176.000 0.003 0.000 0.984 231 Q CA 1.233 57.107 55.803 0.118 0.000 0.875 231 Q CB -0.498 28.323 28.738 0.139 0.000 0.910 231 Q HN 0.462 nan 8.270 nan 0.000 0.433 232 R N 0.386 120.747 120.500 -0.233 0.000 2.189 232 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 232 R C 1.057 177.265 176.300 -0.155 0.000 1.092 232 R CA 0.472 56.416 56.100 -0.261 0.000 0.989 232 R CB -0.308 29.504 30.300 -0.813 0.000 0.876 232 R HN 0.194 nan 8.270 nan 0.000 0.457 233 N N 0.073 118.526 118.700 -0.411 0.000 2.188 233 N HA -0.090 4.649 4.740 -0.000 0.000 0.184 233 N C 0.156 175.249 175.510 -0.696 0.000 1.018 233 N CA 0.282 52.951 53.050 -0.635 0.000 0.858 233 N CB 0.107 38.034 38.487 -0.934 0.000 0.989 233 N HN 0.024 nan 8.380 nan 0.000 0.426 234 F N 1.816 121.736 119.950 -0.050 0.000 2.375 234 F HA 0.176 4.703 4.527 -0.000 0.000 0.362 234 F C -1.491 174.095 175.800 -0.357 0.000 1.129 234 F CA -3.668 54.247 58.000 -0.142 0.000 1.154 234 F CB -0.062 38.932 39.000 -0.010 0.000 1.205 234 F HN -0.496 nan 8.300 nan 0.000 0.513 235 P HA -0.227 nan 4.420 nan 0.000 0.218 235 P C 1.494 178.780 177.300 -0.022 0.000 1.146 235 P CA 1.054 63.724 63.100 -0.718 0.000 0.813 235 P CB 0.158 31.194 31.700 -1.107 0.000 0.778 236 A N 0.368 123.262 122.820 0.123 0.000 2.014 236 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 236 A C 1.101 178.821 177.584 0.226 0.000 1.163 236 A CA 0.648 52.849 52.037 0.273 0.000 0.652 236 A CB -0.512 18.611 19.000 0.205 0.000 0.808 236 A HN 0.216 nan 8.150 nan 0.000 0.449 237 E N 0.135 120.462 120.200 0.211 0.000 2.259 237 E HA 0.171 4.520 4.350 -0.000 0.000 0.281 237 E C -0.092 176.660 176.600 0.254 0.000 1.027 237 E CA -0.259 56.270 56.400 0.214 0.000 0.838 237 E CB 0.948 30.795 29.700 0.244 0.000 1.066 237 E HN 0.109 nan 8.360 nan 0.000 0.401 238 A N 3.034 125.984 122.820 0.218 0.000 3.074 238 A HA 0.265 4.585 4.320 -0.000 0.000 0.251 238 A C 1.337 179.061 177.584 0.233 0.000 1.695 238 A CA 0.183 52.352 52.037 0.219 0.000 1.343 238 A CB -0.843 18.250 19.000 0.155 0.000 1.078 238 A HN 0.653 nan 8.150 nan 0.000 0.644 239 G N -0.114 108.853 108.800 0.278 0.000 2.777 239 G HA2 0.179 4.138 3.960 -0.000 0.000 0.211 239 G HA3 0.179 4.138 3.960 -0.000 0.000 0.211 239 G C 0.916 176.066 174.900 0.416 0.000 1.149 239 G CA 0.969 46.247 45.100 0.296 0.000 0.785 239 G HN 0.690 nan 8.290 nan 0.000 0.536 240 T N -2.335 112.431 114.554 0.353 0.000 2.897 240 T HA 0.442 4.792 4.350 -0.000 0.000 0.278 240 T C 1.787 176.481 174.700 -0.009 0.000 0.981 240 T CA 0.447 62.749 62.100 0.336 0.000 0.973 240 T CB 1.596 70.628 68.868 0.273 0.000 1.092 240 T HN 0.100 nan 8.240 nan 0.000 0.543 241 S N -0.508 114.922 115.700 -0.451 0.000 2.414 241 S HA 0.007 4.477 4.470 -0.000 0.000 0.227 241 S C 2.241 176.654 174.600 -0.312 0.000 1.022 241 S CA -0.610 57.110 58.200 -0.800 0.000 0.958 241 S CB -0.432 62.159 63.200 -1.014 0.000 0.797 241 S HN 0.746 nan 8.310 nan 0.000 0.493 242 G N 1.496 110.168 108.800 -0.212 0.000 2.143 242 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.248 242 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.248 242 G C 0.828 175.621 174.900 -0.179 0.000 0.991 242 G CA 0.078 44.990 45.100 -0.313 0.000 0.689 242 G HN 0.195 nan 8.290 nan 0.000 0.522 243 L N 1.127 122.305 121.223 -0.076 0.000 2.591 243 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 243 L C 2.172 179.047 176.870 0.008 0.000 1.133 243 L CA -0.109 54.726 54.840 -0.008 0.000 0.880 243 L CB -0.140 41.955 42.059 0.061 0.000 1.033 243 L HN 0.136 nan 8.230 nan 0.000 0.450 244 S N 1.471 117.189 115.700 0.030 0.000 2.381 244 S HA -0.145 4.325 4.470 -0.000 0.000 0.230 244 S C 0.076 174.653 174.600 -0.037 0.000 1.052 244 S CA 0.760 58.981 58.200 0.036 0.000 1.068 244 S CB -1.928 61.353 63.200 0.135 0.000 0.918 244 S HN 0.037 nan 8.310 nan 0.000 0.448 245 P HA -0.027 nan 4.420 nan 0.000 0.222 245 P C 1.205 178.397 177.300 -0.181 0.000 1.153 245 P CA 0.418 63.328 63.100 -0.318 0.000 0.798 245 P CB 0.010 31.250 31.700 -0.766 0.000 0.796 246 A N 0.039 122.839 122.820 -0.033 0.000 1.968 246 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 246 A C 1.778 179.462 177.584 0.167 0.000 1.169 246 A CA 0.955 53.106 52.037 0.190 0.000 0.638 246 A CB -0.786 18.319 19.000 0.175 0.000 0.812 246 A HN -0.127 nan 8.150 nan 0.000 0.446 247 L N -0.231 121.046 121.223 0.089 0.000 2.179 247 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 247 L C 2.579 179.480 176.870 0.052 0.000 1.096 247 L CA -0.179 54.710 54.840 0.083 0.000 0.779 247 L CB 0.078 42.169 42.059 0.053 0.000 0.922 247 L HN -0.056 nan 8.230 nan 0.000 0.443 248 K N 1.154 121.540 120.400 -0.023 0.000 2.057 248 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 248 K C 2.886 179.372 176.600 -0.190 0.000 1.049 248 K CA 1.676 57.864 56.287 -0.166 0.000 0.931 248 K CB 0.059 32.359 32.500 -0.333 0.000 0.714 248 K HN 0.291 nan 8.250 nan 0.000 0.440 249 F N 0.426 120.444 119.950 0.114 0.000 2.693 249 F HA 0.096 4.623 4.527 -0.000 0.000 0.303 249 F C 0.345 176.240 175.800 0.158 0.000 1.097 249 F CA -0.490 57.605 58.000 0.158 0.000 1.330 249 F CB 0.010 39.147 39.000 0.228 0.000 1.067 249 F HN -0.339 nan 8.300 nan 0.000 0.565 250 G N 1.811 110.779 108.800 0.280 0.000 2.273 250 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.280 250 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.280 250 G C 1.449 176.478 174.900 0.215 0.000 1.047 250 G CA -0.404 44.835 45.100 0.232 0.000 0.869 250 G HN 0.111 nan 8.290 nan 0.000 0.502 251 A N 0.173 123.126 122.820 0.223 0.000 2.167 251 A HA 0.129 4.449 4.320 -0.000 0.000 0.214 251 A C 0.590 178.247 177.584 0.121 0.000 1.151 251 A CA 0.260 52.387 52.037 0.150 0.000 0.735 251 A CB 0.229 19.327 19.000 0.164 0.000 0.802 251 A HN 0.141 nan 8.150 nan 0.000 0.467 252 I N -0.686 119.968 120.570 0.141 0.000 2.619 252 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 252 I C -0.680 175.518 176.117 0.135 0.000 1.100 252 I CA -0.916 60.459 61.300 0.125 0.000 1.043 252 I CB 1.886 39.965 38.000 0.132 0.000 1.239 252 I HN -0.589 nan 8.210 nan 0.000 0.420 253 G N 5.081 113.954 108.800 0.122 0.000 2.432 253 G HA2 0.248 4.208 3.960 -0.000 0.000 0.257 253 G HA3 0.248 4.208 3.960 -0.000 0.000 0.257 253 G C 0.442 175.430 174.900 0.146 0.000 1.238 253 G CA -0.336 44.839 45.100 0.125 0.000 0.838 253 G HN 0.692 nan 8.290 nan 0.000 0.547 254 I N 1.234 121.892 120.570 0.146 0.000 2.493 254 I HA -0.040 4.130 4.170 -0.000 0.000 0.254 254 I C 2.602 178.837 176.117 0.198 0.000 1.160 254 I CA 1.031 62.432 61.300 0.170 0.000 1.445 254 I CB -0.011 38.075 38.000 0.144 0.000 1.086 254 I HN 0.569 nan 8.210 nan 0.000 0.433 255 R N -0.451 120.138 120.500 0.148 0.000 2.119 255 R HA -0.054 4.285 4.340 -0.000 0.000 0.222 255 R C 2.171 178.596 176.300 0.207 0.000 1.088 255 R CA 1.095 57.289 56.100 0.156 0.000 0.984 255 R CB -0.235 30.113 30.300 0.081 0.000 0.884 255 R HN 0.490 nan 8.270 nan 0.000 0.447 256 Q N -0.089 119.813 119.800 0.171 0.000 2.119 256 Q HA -0.046 4.294 4.340 -0.000 0.000 0.201 256 Q C 2.170 178.292 176.000 0.203 0.000 0.972 256 Q CA 1.388 57.286 55.803 0.157 0.000 0.847 256 Q CB -0.051 28.761 28.738 0.123 0.000 0.903 256 Q HN 0.340 nan 8.270 nan 0.000 0.433 257 A N 0.986 123.960 122.820 0.257 0.000 1.898 257 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 257 A C 1.737 179.565 177.584 0.407 0.000 1.181 257 A CA 0.878 53.120 52.037 0.341 0.000 0.620 257 A CB -0.958 18.266 19.000 0.373 0.000 0.819 257 A HN 0.669 nan 8.150 nan 0.000 0.442 258 W N 1.009 122.438 121.300 0.215 0.000 2.381 258 W HA -0.041 4.619 4.660 -0.001 0.000 0.301 258 W C 1.347 177.961 176.519 0.159 0.000 1.205 258 W CA 0.084 57.552 57.345 0.204 0.000 1.285 258 W CB -0.215 29.325 29.460 0.134 0.000 1.133 258 W HN -0.317 nan 8.180 nan 0.000 0.521 259 Q N 0.722 120.670 119.800 0.246 0.000 2.084 259 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 259 Q C 1.935 177.952 176.000 0.028 0.000 0.978 259 Q CA 0.357 56.233 55.803 0.123 0.000 0.844 259 Q CB -0.041 28.784 28.738 0.145 0.000 0.898 259 Q HN 0.063 nan 8.270 nan 0.000 0.426 260 A N 0.761 123.618 122.820 0.061 0.000 1.902 260 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 260 A C 2.274 179.837 177.584 -0.035 0.000 1.181 260 A CA 1.734 53.785 52.037 0.023 0.000 0.623 260 A CB -0.954 18.078 19.000 0.052 0.000 0.818 260 A HN 0.568 nan 8.150 nan 0.000 0.443 261 A N -0.148 122.645 122.820 -0.045 0.000 1.930 261 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 261 A C 2.221 179.704 177.584 -0.168 0.000 1.175 261 A CA 0.515 52.490 52.037 -0.104 0.000 0.627 261 A CB -0.143 18.837 19.000 -0.034 0.000 0.815 261 A HN 0.118 nan 8.150 nan 0.000 0.443 262 S N 0.536 116.080 115.700 -0.261 0.000 2.343 262 S HA -0.146 4.324 4.470 -0.000 0.000 0.219 262 S C 2.079 176.659 174.600 -0.033 0.000 1.033 262 S CA 0.177 58.264 58.200 -0.189 0.000 1.014 262 S CB -0.226 62.877 63.200 -0.162 0.000 0.915 262 S HN 0.313 nan 8.310 nan 0.000 0.435 263 A N 2.037 124.840 122.820 -0.027 0.000 1.849 263 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 263 A C 2.426 180.005 177.584 -0.007 0.000 1.202 263 A CA 2.221 54.255 52.037 -0.005 0.000 0.629 263 A CB -1.513 17.482 19.000 -0.008 0.000 0.834 263 A HN 0.570 nan 8.150 nan 0.000 0.447 264 A N -1.467 121.333 122.820 -0.033 0.000 1.927 264 A HA -0.321 3.999 4.320 -0.000 0.000 0.220 264 A C 2.147 179.713 177.584 -0.030 0.000 1.185 264 A CA 2.168 54.172 52.037 -0.055 0.000 0.639 264 A CB -1.054 17.883 19.000 -0.106 0.000 0.820 264 A HN 0.803 nan 8.150 nan 0.000 0.451 265 H N 0.444 119.463 119.070 -0.085 0.000 2.457 265 H HA -0.053 4.503 4.556 -0.000 0.000 0.294 265 H C 2.154 177.460 175.328 -0.038 0.000 1.064 265 H CA 0.384 56.396 56.048 -0.060 0.000 1.330 265 H CB 0.493 30.216 29.762 -0.064 0.000 1.395 265 H HN 0.211 nan 8.280 nan 0.000 0.541 266 A N 0.607 123.471 122.820 0.073 0.000 1.911 266 A HA -0.009 4.311 4.320 -0.000 0.000 0.212 266 A C 1.933 179.500 177.584 -0.029 0.000 1.189 266 A CA 0.022 52.084 52.037 0.042 0.000 0.639 266 A CB -0.400 18.638 19.000 0.064 0.000 0.839 266 A HN 0.243 nan 8.150 nan 0.000 0.449 267 L N 0.258 121.461 121.223 -0.033 0.000 2.191 267 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 267 L C 1.458 178.288 176.870 -0.066 0.000 1.103 267 L CA 0.605 55.419 54.840 -0.043 0.000 0.769 267 L CB -0.310 41.725 42.059 -0.040 0.000 0.908 267 L HN 0.367 nan 8.230 nan 0.000 0.438 268 S N 1.365 117.004 115.700 -0.102 0.000 2.498 268 S HA 0.088 4.558 4.470 -0.000 0.000 0.281 268 S C 1.345 175.873 174.600 -0.120 0.000 1.265 268 S CA -0.907 57.220 58.200 -0.123 0.000 1.071 268 S CB 0.546 63.643 63.200 -0.172 0.000 0.894 268 S HN -0.169 nan 8.310 nan 0.000 0.491 269 R N 3.223 123.673 120.500 -0.082 0.000 2.237 269 R HA 0.221 4.560 4.340 -0.000 0.000 0.195 269 R C 0.726 176.991 176.300 -0.059 0.000 0.956 269 R CA -0.316 55.746 56.100 -0.064 0.000 1.029 269 R CB -0.465 29.809 30.300 -0.043 0.000 0.972 269 R HN 0.216 nan 8.270 nan 0.000 0.493 270 S N 1.475 117.138 115.700 -0.061 0.000 2.505 270 S HA 0.102 4.572 4.470 -0.000 0.000 0.276 270 S C 0.206 174.775 174.600 -0.051 0.000 1.274 270 S CA -0.444 57.729 58.200 -0.046 0.000 1.053 270 S CB 0.910 64.087 63.200 -0.039 0.000 0.919 270 S HN 0.153 nan 8.310 nan 0.000 0.490 271 D N 3.523 123.905 120.400 -0.029 0.000 2.264 271 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 271 D C 1.727 178.027 176.300 -0.001 0.000 0.966 271 D CA 1.030 55.020 54.000 -0.017 0.000 0.864 271 D CB 0.169 40.971 40.800 0.003 0.000 0.933 271 D HN 0.780 nan 8.370 nan 0.000 0.499 272 E N -0.257 119.943 120.200 0.000 0.000 2.072 272 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 272 E C 2.013 178.622 176.600 0.015 0.000 0.985 272 E CA 0.783 57.193 56.400 0.017 0.000 0.801 272 E CB 0.017 29.726 29.700 0.015 0.000 0.750 272 E HN 0.227 nan 8.360 nan 0.000 0.452 273 A N 1.718 124.528 122.820 -0.016 0.000 1.845 273 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 273 A C 2.028 179.595 177.584 -0.029 0.000 1.195 273 A CA 1.423 53.440 52.037 -0.032 0.000 0.616 273 A CB -0.576 18.382 19.000 -0.071 0.000 0.832 273 A HN 0.123 nan 8.150 nan 0.000 0.443 274 R N -0.290 120.154 120.500 -0.092 0.000 2.185 274 R HA -0.195 4.145 4.340 -0.000 0.000 0.247 274 R C 2.090 178.455 176.300 0.108 0.000 1.159 274 R CA 1.446 57.466 56.100 -0.133 0.000 0.988 274 R CB -0.601 29.543 30.300 -0.262 0.000 0.871 274 R HN 0.740 nan 8.270 nan 0.000 0.458 275 N N 0.232 118.988 118.700 0.093 0.000 2.207 275 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 275 N C 1.423 177.034 175.510 0.168 0.000 1.020 275 N CA 0.958 54.090 53.050 0.137 0.000 0.858 275 N CB 0.151 38.701 38.487 0.106 0.000 0.991 275 N HN 0.012 nan 8.380 nan 0.000 0.427 276 S N 1.119 116.908 115.700 0.148 0.000 2.383 276 S HA -0.030 4.440 4.470 -0.000 0.000 0.229 276 S C 2.045 176.791 174.600 0.243 0.000 1.030 276 S CA 0.746 59.077 58.200 0.218 0.000 1.002 276 S CB -0.132 63.164 63.200 0.160 0.000 0.829 276 S HN 0.325 nan 8.310 nan 0.000 0.467 277 I N 0.984 121.649 120.570 0.157 0.000 2.252 277 I HA -0.146 4.023 4.170 -0.000 0.000 0.245 277 I C 2.491 178.737 176.117 0.215 0.000 1.102 277 I CA 0.981 62.369 61.300 0.147 0.000 1.385 277 I CB -0.239 37.841 38.000 0.132 0.000 1.064 277 I HN 0.148 nan 8.210 nan 0.000 0.414 278 R N 0.288 120.933 120.500 0.240 0.000 2.148 278 R HA -0.042 4.298 4.340 -0.000 0.000 0.227 278 R C 2.231 178.663 176.300 0.220 0.000 1.103 278 R CA 0.894 57.129 56.100 0.225 0.000 0.983 278 R CB -0.527 29.914 30.300 0.235 0.000 0.874 278 R HN 0.286 nan 8.270 nan 0.000 0.451 279 V N -0.630 119.432 119.914 0.246 0.000 2.379 279 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 279 V C 1.928 178.170 176.094 0.246 0.000 1.044 279 V CA 0.463 62.925 62.300 0.269 0.000 1.036 279 V CB -0.290 31.780 31.823 0.412 0.000 0.664 279 V HN 0.086 nan 8.190 nan 0.000 0.453 280 W N 0.969 122.208 121.300 -0.101 0.000 2.388 280 W HA -0.047 4.613 4.660 -0.000 0.000 0.294 280 W C 2.095 178.567 176.519 -0.078 0.000 1.212 280 W CA 0.439 57.540 57.345 -0.407 0.000 1.271 280 W CB 0.115 29.270 29.460 -0.509 0.000 1.126 280 W HN 0.008 nan 8.180 nan 0.000 0.535 281 Q N -0.462 119.468 119.800 0.217 0.000 2.170 281 Q HA -0.268 4.072 4.340 -0.000 0.000 0.203 281 Q C 2.137 178.301 176.000 0.273 0.000 0.976 281 Q CA 1.645 57.610 55.803 0.270 0.000 0.858 281 Q CB -0.409 28.484 28.738 0.257 0.000 0.907 281 Q HN 0.493 nan 8.270 nan 0.000 0.433 282 Q N -0.057 119.786 119.800 0.071 0.000 2.230 282 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 282 Q C 1.712 177.657 176.000 -0.092 0.000 0.963 282 Q CA 0.600 56.282 55.803 -0.201 0.000 0.866 282 Q CB 0.256 28.735 28.738 -0.431 0.000 0.931 282 Q HN 0.317 nan 8.270 nan 0.000 0.452 283 E N 0.797 120.944 120.200 -0.089 0.000 2.150 283 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 283 E C 2.006 178.511 176.600 -0.158 0.000 0.985 283 E CA 0.758 57.090 56.400 -0.114 0.000 0.814 283 E CB -0.123 29.406 29.700 -0.285 0.000 0.752 283 E HN 0.398 nan 8.360 nan 0.000 0.466 284 L N -0.022 121.070 121.223 -0.219 0.000 2.201 284 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 284 L C 2.322 179.091 176.870 -0.168 0.000 1.105 284 L CA 0.018 54.781 54.840 -0.128 0.000 0.775 284 L CB -0.232 41.859 42.059 0.053 0.000 0.913 284 L HN -0.279 nan 8.230 nan 0.000 0.440 285 A N -0.331 122.285 122.820 -0.341 0.000 1.929 285 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 285 A C 1.624 178.980 177.584 -0.380 0.000 1.176 285 A CA 0.561 52.122 52.037 -0.793 0.000 0.628 285 A CB -0.625 17.985 19.000 -0.648 0.000 0.816 285 A HN 0.141 nan 8.150 nan 0.000 0.444 286 W N 0.124 121.276 121.300 -0.247 0.000 2.358 286 W HA -0.126 4.534 4.660 -0.000 0.000 0.303 286 W C 2.570 178.971 176.519 -0.198 0.000 1.208 286 W CA 1.732 58.890 57.345 -0.311 0.000 1.274 286 W CB -0.037 29.180 29.460 -0.405 0.000 1.138 286 W HN 0.343 nan 8.180 nan 0.000 0.515 287 R N 1.001 121.561 120.500 0.100 0.000 2.083 287 R HA -0.206 4.133 4.340 -0.000 0.000 0.237 287 R C 1.813 178.147 176.300 0.056 0.000 1.137 287 R CA 2.153 58.315 56.100 0.102 0.000 0.951 287 R CB -0.488 29.835 30.300 0.038 0.000 0.851 287 R HN 0.210 nan 8.270 nan 0.000 0.434 288 E N -0.286 119.887 120.200 -0.046 0.000 2.152 288 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 288 E C 1.840 178.268 176.600 -0.287 0.000 0.983 288 E CA 0.905 57.269 56.400 -0.060 0.000 0.818 288 E CB -0.292 29.412 29.700 0.007 0.000 0.758 288 E HN 0.329 nan 8.360 nan 0.000 0.467 289 F N 1.518 121.074 119.950 -0.656 0.000 2.069 289 F HA -0.268 4.258 4.527 -0.000 0.000 0.298 289 F C 1.976 177.490 175.800 -0.476 0.000 1.113 289 F CA 1.468 58.806 58.000 -1.103 0.000 1.214 289 F CB -0.508 37.760 39.000 -1.221 0.000 0.978 289 F HN -0.074 nan 8.300 nan 0.000 0.474 290 Y N 0.756 120.904 120.300 -0.252 0.000 2.274 290 Y HA -0.181 4.369 4.550 -0.000 0.000 0.290 290 Y C 2.620 178.443 175.900 -0.128 0.000 1.145 290 Y CA 1.551 59.527 58.100 -0.208 0.000 1.203 290 Y CB -1.096 37.357 38.460 -0.012 0.000 0.984 290 Y HN 0.266 nan 8.280 nan 0.000 0.533 291 Q N -1.208 118.654 119.800 0.102 0.000 2.096 291 Q HA -0.150 4.190 4.340 -0.000 0.000 0.197 291 Q C 1.913 177.999 176.000 0.142 0.000 0.964 291 Q CA 1.147 57.033 55.803 0.139 0.000 0.838 291 Q CB -0.286 28.556 28.738 0.173 0.000 0.906 291 Q HN 0.707 nan 8.270 nan 0.000 0.444 292 H N -0.064 118.946 119.070 -0.101 0.000 2.389 292 H HA -0.056 4.500 4.556 -0.000 0.000 0.299 292 H C 2.129 177.411 175.328 -0.077 0.000 1.081 292 H CA 0.567 56.549 56.048 -0.110 0.000 1.345 292 H CB 0.206 29.990 29.762 0.036 0.000 1.393 292 H HN 0.277 nan 8.280 nan 0.000 0.520 293 A N 1.415 124.217 122.820 -0.030 0.000 1.865 293 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 293 A C 2.338 179.979 177.584 0.095 0.000 1.191 293 A CA 1.403 53.442 52.037 0.004 0.000 0.623 293 A CB -0.739 18.126 19.000 -0.224 0.000 0.826 293 A HN 0.291 nan 8.150 nan 0.000 0.444 294 L N -1.745 119.523 121.223 0.075 0.000 2.131 294 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 294 L C 2.245 179.152 176.870 0.062 0.000 1.092 294 L CA 2.172 57.066 54.840 0.090 0.000 0.759 294 L CB -0.871 41.245 42.059 0.096 0.000 0.903 294 L HN 0.539 nan 8.230 nan 0.000 0.435 295 Y N -0.853 119.382 120.300 -0.108 0.000 2.163 295 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 295 Y C 2.648 178.367 175.900 -0.302 0.000 1.136 295 Y CA 2.127 60.103 58.100 -0.207 0.000 1.147 295 Y CB -0.177 38.067 38.460 -0.361 0.000 0.987 295 Y HN 0.332 nan 8.280 nan 0.000 0.509 296 H N -1.548 117.454 119.070 -0.114 0.000 2.436 296 H HA 0.046 4.601 4.556 -0.000 0.000 0.294 296 H C -0.226 174.659 175.328 -0.737 0.000 1.048 296 H CA 1.019 56.754 56.048 -0.522 0.000 1.353 296 H CB -0.175 29.112 29.762 -0.791 0.000 1.414 296 H HN 0.237 nan 8.280 nan 0.000 0.536 297 F N 0.230 120.238 119.950 0.097 0.000 2.550 297 F HA 0.315 4.842 4.527 -0.000 0.000 0.348 297 F C -1.847 173.978 175.800 0.041 0.000 1.219 297 F CA -2.662 55.375 58.000 0.061 0.000 1.203 297 F CB 1.360 40.318 39.000 -0.070 0.000 1.436 297 F HN -0.119 nan 8.300 nan 0.000 0.541 298 P HA -0.204 nan 4.420 nan 0.000 0.217 298 P C 1.785 179.179 177.300 0.156 0.000 1.148 298 P CA 1.705 64.867 63.100 0.103 0.000 0.828 298 P CB 0.125 31.851 31.700 0.044 0.000 0.783 299 S N -0.915 114.917 115.700 0.219 0.000 2.440 299 S HA -0.145 4.325 4.470 -0.000 0.000 0.238 299 S C 1.880 176.638 174.600 0.264 0.000 1.010 299 S CA 0.837 59.179 58.200 0.238 0.000 0.972 299 S CB -1.676 61.699 63.200 0.293 0.000 0.774 299 S HN 0.096 nan 8.310 nan 0.000 0.501 300 L N 1.148 122.520 121.223 0.248 0.000 2.081 300 L HA -0.179 4.160 4.340 -0.000 0.000 0.212 300 L C 3.121 180.122 176.870 0.218 0.000 1.080 300 L CA 1.391 56.358 54.840 0.212 0.000 0.754 300 L CB -0.885 41.233 42.059 0.099 0.000 0.893 300 L HN 0.520 nan 8.230 nan 0.000 0.433 301 A N 0.086 123.008 122.820 0.171 0.000 2.070 301 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 301 A C 1.309 178.976 177.584 0.137 0.000 1.159 301 A CA 1.080 53.206 52.037 0.149 0.000 0.656 301 A CB -0.266 18.802 19.000 0.114 0.000 0.800 301 A HN 0.077 nan 8.150 nan 0.000 0.453 302 D N -0.481 120.002 120.400 0.139 0.000 2.317 302 D HA 0.000 4.640 4.640 -0.000 0.000 0.211 302 D C 0.733 177.072 176.300 0.065 0.000 0.966 302 D CA -0.338 53.717 54.000 0.092 0.000 0.876 302 D CB 0.441 41.299 40.800 0.097 0.000 0.927 302 D HN 0.529 nan 8.370 nan 0.000 0.519 303 G N -0.855 108.037 108.800 0.152 0.000 2.320 303 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.274 303 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.274 303 G C -3.047 172.076 174.900 0.372 0.000 1.324 303 G CA -0.721 44.434 45.100 0.092 0.000 0.957 303 G HN -0.435 nan 8.290 nan 0.000 0.481 304 P HA 0.108 nan 4.420 nan 0.000 0.259 304 P C -0.193 177.376 177.300 0.448 0.000 1.163 304 P CA 0.482 63.927 63.100 0.575 0.000 0.760 304 P CB 0.211 32.240 31.700 0.549 0.000 0.762 305 Y N 4.923 125.393 120.300 0.284 0.000 2.301 305 Y HA 0.090 4.640 4.550 -0.000 0.000 0.295 305 Y C 0.992 177.000 175.900 0.181 0.000 1.119 305 Y CA 0.897 59.109 58.100 0.188 0.000 1.162 305 Y CB 0.285 38.819 38.460 0.124 0.000 1.046 305 Y HN 0.163 nan 8.280 nan 0.000 0.538 306 R N 0.840 121.532 120.500 0.321 0.000 2.347 306 R HA 0.078 4.418 4.340 -0.000 0.000 0.304 306 R C 1.705 178.124 176.300 0.198 0.000 1.072 306 R CA 0.536 56.775 56.100 0.232 0.000 0.980 306 R CB 0.865 31.403 30.300 0.395 0.000 0.986 306 R HN 0.413 nan 8.270 nan 0.000 0.448 307 S N 4.244 119.978 115.700 0.057 0.000 2.378 307 S HA -0.230 4.240 4.470 -0.000 0.000 0.229 307 S C 1.972 176.587 174.600 0.025 0.000 1.052 307 S CA 1.690 59.906 58.200 0.027 0.000 1.084 307 S CB -0.385 62.800 63.200 -0.025 0.000 0.950 307 S HN 0.672 nan 8.310 nan 0.000 0.440 308 L N -0.973 120.226 121.223 -0.039 0.000 2.131 308 L HA 0.142 4.482 4.340 -0.000 0.000 0.210 308 L C 2.174 178.945 176.870 -0.165 0.000 1.092 308 L CA 1.306 56.043 54.840 -0.172 0.000 0.759 308 L CB -2.562 39.306 42.059 -0.319 0.000 0.903 308 L HN 0.450 nan 8.230 nan 0.000 0.435 309 W N 0.925 122.302 121.300 0.128 0.000 2.611 309 W HA -0.020 4.640 4.660 -0.000 0.000 0.251 309 W C 2.595 179.254 176.519 0.234 0.000 1.265 309 W CA 0.511 57.975 57.345 0.198 0.000 1.295 309 W CB -0.061 29.554 29.460 0.258 0.000 1.129 309 W HN 0.346 nan 8.180 nan 0.000 0.630 310 Q N -0.525 119.466 119.800 0.318 0.000 2.389 310 Q HA -0.016 4.324 4.340 -0.000 0.000 0.204 310 Q C 1.488 177.578 176.000 0.150 0.000 0.944 310 Q CA 0.667 56.611 55.803 0.234 0.000 0.908 310 Q CB 0.030 28.855 28.738 0.145 0.000 1.002 310 Q HN 0.077 nan 8.270 nan 0.000 0.493 311 Q N -0.790 119.056 119.800 0.077 0.000 2.281 311 Q HA 0.113 4.453 4.340 -0.000 0.000 0.215 311 Q C 0.522 176.468 176.000 -0.089 0.000 0.867 311 Q CA -0.562 55.230 55.803 -0.019 0.000 0.940 311 Q CB 0.483 29.174 28.738 -0.079 0.000 1.111 311 Q HN 0.031 nan 8.270 nan 0.000 0.513 312 F N 5.043 124.854 119.950 -0.232 0.000 2.612 312 F HA -0.010 4.517 4.527 -0.000 0.000 0.389 312 F C -1.755 173.724 175.800 -0.535 0.000 1.055 312 F CA -1.852 55.861 58.000 -0.478 0.000 1.232 312 F CB 0.766 39.407 39.000 -0.598 0.000 1.044 312 F HN -0.038 nan 8.300 nan 0.000 0.560 313 P HA 0.002 nan 4.420 nan 0.000 0.238 313 P C -1.030 175.889 177.300 -0.635 0.000 1.794 313 P CA -0.175 62.509 63.100 -0.693 0.000 1.088 313 P CB -0.517 30.817 31.700 -0.610 0.000 1.923 314 W N 1.153 122.394 121.300 -0.098 0.000 2.170 314 W HA 0.070 4.730 4.660 -0.000 0.000 0.342 314 W C 1.919 178.429 176.519 -0.016 0.000 1.294 314 W CA -0.103 57.286 57.345 0.073 0.000 1.246 314 W CB 0.575 30.107 29.460 0.120 0.000 1.156 314 W HN 0.397 nan 8.180 nan 0.000 0.572 315 E N 1.280 121.642 120.200 0.270 0.000 2.086 315 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 315 E C 0.059 176.731 176.600 0.121 0.000 0.975 315 E CA 0.993 57.472 56.400 0.133 0.000 0.813 315 E CB -0.193 29.578 29.700 0.119 0.000 0.768 315 E HN 0.659 nan 8.360 nan 0.000 0.457 316 N N 0.863 119.651 118.700 0.146 0.000 2.727 316 N HA -0.231 4.509 4.740 -0.000 0.000 0.251 316 N C -1.254 174.276 175.510 0.033 0.000 1.040 316 N CA -0.085 52.995 53.050 0.049 0.000 0.712 316 N CB -0.307 38.190 38.487 0.017 0.000 0.912 316 N HN -0.109 nan 8.380 nan 0.000 0.545 317 R N 1.203 121.737 120.500 0.057 0.000 2.242 317 R HA 0.088 4.428 4.340 -0.000 0.000 0.334 317 R C 1.054 177.404 176.300 0.084 0.000 1.071 317 R CA -0.424 55.712 56.100 0.061 0.000 0.922 317 R CB 0.611 30.952 30.300 0.068 0.000 1.023 317 R HN 0.149 nan 8.270 nan 0.000 0.458 318 E N 3.460 123.705 120.200 0.076 0.000 2.097 318 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 318 E C 1.663 178.358 176.600 0.159 0.000 1.000 318 E CA 2.130 58.603 56.400 0.123 0.000 0.804 318 E CB 0.038 29.791 29.700 0.088 0.000 0.740 318 E HN 0.728 nan 8.360 nan 0.000 0.454 319 A N 0.201 123.087 122.820 0.110 0.000 1.940 319 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 319 A C 2.281 179.933 177.584 0.113 0.000 1.176 319 A CA 1.533 53.629 52.037 0.099 0.000 0.631 319 A CB -0.669 18.377 19.000 0.077 0.000 0.814 319 A HN 0.345 nan 8.150 nan 0.000 0.446 320 L N -2.385 118.913 121.223 0.125 0.000 2.109 320 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 320 L C 2.453 179.422 176.870 0.165 0.000 1.086 320 L CA 1.212 56.132 54.840 0.134 0.000 0.760 320 L CB -0.528 41.594 42.059 0.106 0.000 0.910 320 L HN 0.484 nan 8.230 nan 0.000 0.437 321 F N 1.195 121.166 119.950 0.034 0.000 2.102 321 F HA -0.230 4.296 4.527 -0.000 0.000 0.298 321 F C 2.485 178.351 175.800 0.111 0.000 1.105 321 F CA 2.036 60.054 58.000 0.030 0.000 1.239 321 F CB -0.537 38.438 39.000 -0.042 0.000 0.991 321 F HN -0.068 nan 8.300 nan 0.000 0.474 322 T N 0.735 115.295 114.554 0.009 0.000 2.684 322 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 322 T C 2.215 176.860 174.700 -0.091 0.000 1.036 322 T CA 1.657 63.712 62.100 -0.075 0.000 1.148 322 T CB -0.955 67.940 68.868 0.045 0.000 0.863 322 T HN 0.379 nan 8.240 nan 0.000 0.436 323 A N 0.313 123.137 122.820 0.007 0.000 1.933 323 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 323 A C 2.028 179.628 177.584 0.027 0.000 1.175 323 A CA 1.638 53.692 52.037 0.028 0.000 0.628 323 A CB -1.134 17.920 19.000 0.089 0.000 0.814 323 A HN 0.708 nan 8.150 nan 0.000 0.444 324 W N 1.656 122.857 121.300 -0.165 0.000 2.332 324 W HA -0.260 4.400 4.660 -0.000 0.000 0.321 324 W C 2.672 178.975 176.519 -0.360 0.000 1.219 324 W CA 3.334 60.571 57.345 -0.180 0.000 1.277 324 W CB -0.740 28.613 29.460 -0.178 0.000 1.161 324 W HN 0.412 nan 8.180 nan 0.000 0.476 325 T N -0.998 113.229 114.554 -0.544 0.000 2.849 325 T HA -0.263 4.087 4.350 -0.000 0.000 0.270 325 T C 1.374 175.779 174.700 -0.492 0.000 1.066 325 T CA 1.774 63.276 62.100 -0.997 0.000 1.130 325 T CB -0.541 67.634 68.868 -1.156 0.000 0.864 325 T HN 0.479 nan 8.240 nan 0.000 0.481 326 Q N 1.054 120.688 119.800 -0.276 0.000 2.319 326 Q HA 0.139 4.479 4.340 -0.000 0.000 0.202 326 Q C 0.069 176.004 176.000 -0.109 0.000 0.896 326 Q CA -0.403 55.320 55.803 -0.135 0.000 0.942 326 Q CB 0.267 28.964 28.738 -0.067 0.000 1.083 326 Q HN -0.028 nan 8.270 nan 0.000 0.510 327 A N 0.861 123.584 122.820 -0.161 0.000 2.869 327 A HA -0.179 4.141 4.320 -0.000 0.000 0.280 327 A C -0.157 177.408 177.584 -0.032 0.000 1.458 327 A CA 0.214 52.191 52.037 -0.099 0.000 0.776 327 A CB -1.227 17.734 19.000 -0.066 0.000 1.028 327 A HN 0.138 nan 8.150 nan 0.000 0.547 328 Q N -0.544 119.233 119.800 -0.039 0.000 2.233 328 Q HA 0.059 4.399 4.340 -0.000 0.000 0.340 328 Q C 1.130 177.115 176.000 -0.025 0.000 0.899 328 Q CA -0.167 55.597 55.803 -0.066 0.000 1.139 328 Q CB 0.322 29.029 28.738 -0.052 0.000 1.273 328 Q HN 0.272 nan 8.270 nan 0.000 0.431 329 T N -4.191 110.391 114.554 0.047 0.000 3.014 329 T HA 0.144 4.493 4.350 -0.000 0.000 0.263 329 T C 1.581 176.410 174.700 0.215 0.000 1.078 329 T CA 0.812 63.035 62.100 0.206 0.000 1.135 329 T CB 0.236 69.271 68.868 0.279 0.000 0.895 329 T HN 0.464 nan 8.240 nan 0.000 0.480 330 G N 0.435 109.229 108.800 -0.010 0.000 2.175 330 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 330 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 330 G C -0.197 174.742 174.900 0.065 0.000 0.982 330 G CA -0.051 44.976 45.100 -0.122 0.000 0.641 330 G HN 0.597 nan 8.290 nan 0.000 0.527 331 Y N 0.720 121.052 120.300 0.053 0.000 2.593 331 Y HA 0.444 4.994 4.550 -0.000 0.000 0.331 331 Y C -0.834 175.083 175.900 0.030 0.000 0.986 331 Y CA -1.959 56.138 58.100 -0.004 0.000 1.262 331 Y CB 1.470 39.797 38.460 -0.222 0.000 1.098 331 Y HN -0.005 nan 8.280 nan 0.000 0.506 332 P HA -0.331 nan 4.420 nan 0.000 0.221 332 P C 1.880 179.241 177.300 0.101 0.000 1.160 332 P CA 1.632 64.792 63.100 0.101 0.000 0.933 332 P CB 0.318 32.002 31.700 -0.027 0.000 0.793 333 I N -1.032 119.598 120.570 0.099 0.000 2.208 333 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 333 I C 1.995 178.175 176.117 0.105 0.000 1.097 333 I CA 1.604 62.982 61.300 0.129 0.000 1.363 333 I CB -0.832 37.234 38.000 0.109 0.000 1.051 333 I HN -0.218 nan 8.210 nan 0.000 0.413 334 V N 0.633 120.561 119.914 0.023 0.000 2.270 334 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 334 V C 2.198 178.273 176.094 -0.033 0.000 1.043 334 V CA 2.152 64.416 62.300 -0.060 0.000 1.014 334 V CB -0.931 30.687 31.823 -0.342 0.000 0.645 334 V HN 0.363 nan 8.190 nan 0.000 0.447 335 D N 0.094 120.505 120.400 0.018 0.000 2.178 335 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 335 D C 1.676 177.994 176.300 0.030 0.000 0.980 335 D CA 0.637 54.658 54.000 0.035 0.000 0.842 335 D CB 0.069 40.969 40.800 0.167 0.000 0.948 335 D HN 0.356 nan 8.370 nan 0.000 0.472 336 A N 0.716 123.577 122.820 0.069 0.000 1.930 336 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 336 A C 1.940 179.480 177.584 -0.072 0.000 1.175 336 A CA 0.260 52.333 52.037 0.060 0.000 0.627 336 A CB -0.092 18.975 19.000 0.112 0.000 0.815 336 A HN -0.003 nan 8.150 nan 0.000 0.443 337 A N -0.779 122.058 122.820 0.027 0.000 1.873 337 A HA -0.075 4.244 4.320 -0.000 0.000 0.215 337 A C 2.125 179.593 177.584 -0.193 0.000 1.186 337 A CA 1.889 53.905 52.037 -0.036 0.000 0.616 337 A CB -0.473 18.536 19.000 0.015 0.000 0.823 337 A HN 0.401 nan 8.150 nan 0.000 0.442 338 M N -0.419 119.071 119.600 -0.183 0.000 2.213 338 M HA -0.073 4.406 4.480 -0.000 0.000 0.263 338 M C 2.073 178.244 176.300 -0.215 0.000 1.062 338 M CA 1.187 56.338 55.300 -0.248 0.000 1.105 338 M CB -1.239 31.152 32.600 -0.348 0.000 1.385 338 M HN 0.357 nan 8.290 nan 0.000 0.417 339 R N -0.051 120.342 120.500 -0.178 0.000 2.090 339 R HA -0.130 4.209 4.340 -0.000 0.000 0.228 339 R C 2.136 178.264 176.300 -0.286 0.000 1.110 339 R CA 1.189 57.217 56.100 -0.121 0.000 0.973 339 R CB -0.489 29.835 30.300 0.041 0.000 0.869 339 R HN 0.570 nan 8.270 nan 0.000 0.440 340 Q N 0.880 120.270 119.800 -0.683 0.000 2.084 340 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 340 Q C 2.091 177.818 176.000 -0.456 0.000 0.978 340 Q CA 1.311 56.441 55.803 -1.121 0.000 0.844 340 Q CB -0.109 27.771 28.738 -1.429 0.000 0.898 340 Q HN 0.156 nan 8.270 nan 0.000 0.426 341 L N 0.845 121.863 121.223 -0.343 0.000 1.970 341 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 341 L C 2.486 179.283 176.870 -0.121 0.000 1.071 341 L CA 2.810 57.501 54.840 -0.249 0.000 0.751 341 L CB -1.178 40.697 42.059 -0.306 0.000 0.889 341 L HN 0.528 nan 8.230 nan 0.000 0.432 342 T N -4.010 110.462 114.554 -0.137 0.000 2.951 342 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 342 T C 1.616 176.406 174.700 0.150 0.000 1.073 342 T CA 1.292 63.378 62.100 -0.024 0.000 1.134 342 T CB -0.463 68.339 68.868 -0.110 0.000 0.884 342 T HN 0.538 nan 8.240 nan 0.000 0.479 343 E N 1.044 121.293 120.200 0.081 0.000 2.170 343 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 343 E C 2.239 178.937 176.600 0.164 0.000 0.981 343 E CA 1.433 57.901 56.400 0.112 0.000 0.830 343 E CB 0.095 29.881 29.700 0.143 0.000 0.775 343 E HN 0.784 nan 8.360 nan 0.000 0.470 344 T N -3.993 110.695 114.554 0.223 0.000 2.975 344 T HA 0.300 4.650 4.350 -0.000 0.000 0.257 344 T C 1.483 176.468 174.700 0.475 0.000 1.003 344 T CA 0.422 62.722 62.100 0.333 0.000 0.932 344 T CB 0.971 69.986 68.868 0.244 0.000 1.087 344 T HN 0.215 nan 8.240 nan 0.000 0.512 345 G N 0.731 109.727 108.800 0.327 0.000 2.148 345 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 345 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 345 G C -0.945 174.022 174.900 0.112 0.000 0.981 345 G CA -0.147 45.008 45.100 0.091 0.000 0.670 345 G HN 0.131 nan 8.290 nan 0.000 0.528 346 W N -0.364 120.886 121.300 -0.082 0.000 3.107 346 W HA 0.414 5.074 4.660 -0.000 0.000 0.331 346 W C -1.760 174.662 176.519 -0.162 0.000 1.204 346 W CA -0.725 56.549 57.345 -0.117 0.000 1.184 346 W CB 1.027 30.463 29.460 -0.040 0.000 1.421 346 W HN -0.753 nan 8.180 nan 0.000 0.544 347 M N 5.591 124.637 119.600 -0.924 0.000 2.322 347 M HA 0.136 4.616 4.480 -0.000 0.000 0.286 347 M C -1.196 174.333 176.300 -1.285 0.000 1.111 347 M CA -0.550 54.279 55.300 -0.785 0.000 0.941 347 M CB 1.814 34.071 32.600 -0.572 0.000 1.671 347 M HN 0.324 nan 8.290 nan 0.000 0.470 348 H N 4.168 122.702 119.070 -0.892 0.000 3.038 348 H HA -0.045 4.511 4.556 -0.000 0.000 0.338 348 H C 1.021 175.984 175.328 -0.608 0.000 1.041 348 H CA 0.839 56.470 56.048 -0.695 0.000 1.394 348 H CB 0.786 30.381 29.762 -0.277 0.000 1.357 348 H HN 0.253 nan 8.280 nan 0.000 0.600 349 N N 3.526 121.770 118.700 -0.760 0.000 2.149 349 N HA -0.225 4.514 4.740 -0.000 0.000 0.188 349 N C 1.820 177.106 175.510 -0.373 0.000 1.019 349 N CA 0.764 53.500 53.050 -0.524 0.000 0.857 349 N CB 0.022 38.201 38.487 -0.513 0.000 0.997 349 N HN 0.567 nan 8.380 nan 0.000 0.426 350 R N 0.960 121.386 120.500 -0.124 0.000 2.096 350 R HA -0.017 4.322 4.340 -0.000 0.000 0.235 350 R C 2.230 178.333 176.300 -0.327 0.000 1.127 350 R CA 0.832 56.717 56.100 -0.357 0.000 0.968 350 R CB -1.235 28.741 30.300 -0.540 0.000 0.861 350 R HN 0.398 nan 8.270 nan 0.000 0.440 351 C N -0.221 118.931 119.300 -0.247 0.000 2.432 351 C HA 0.055 4.515 4.460 -0.000 0.000 0.280 351 C C 2.566 177.465 174.990 -0.151 0.000 1.353 351 C CA 0.225 59.124 59.018 -0.200 0.000 1.766 351 C CB -0.727 26.887 27.740 -0.210 0.000 1.924 351 C HN 0.452 nan 8.230 nan 0.000 0.509 352 R N 0.512 120.879 120.500 -0.222 0.000 2.092 352 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 352 R C 2.120 178.243 176.300 -0.296 0.000 1.119 352 R CA 1.232 57.246 56.100 -0.144 0.000 0.970 352 R CB -0.296 29.881 30.300 -0.204 0.000 0.864 352 R HN 0.560 nan 8.270 nan 0.000 0.440 353 M N 0.190 119.533 119.600 -0.429 0.000 2.132 353 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 353 M C 2.205 178.369 176.300 -0.227 0.000 1.065 353 M CA 1.579 56.571 55.300 -0.513 0.000 1.122 353 M CB -0.222 31.958 32.600 -0.700 0.000 1.365 353 M HN 0.077 nan 8.290 nan 0.000 0.411 354 I N 0.074 120.556 120.570 -0.146 0.000 2.202 354 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 354 I C 2.489 178.628 176.117 0.037 0.000 1.091 354 I CA 1.379 62.683 61.300 0.006 0.000 1.368 354 I CB -0.555 37.544 38.000 0.164 0.000 1.058 354 I HN 0.225 nan 8.210 nan 0.000 0.410 355 V N -0.627 119.355 119.914 0.113 0.000 2.626 355 V HA -0.126 3.994 4.120 -0.000 0.000 0.252 355 V C 2.467 178.765 176.094 0.340 0.000 1.067 355 V CA 1.553 64.063 62.300 0.350 0.000 1.081 355 V CB -1.096 30.974 31.823 0.412 0.000 0.686 355 V HN 0.316 nan 8.190 nan 0.000 0.468 356 A N 0.732 123.495 122.820 -0.094 0.000 1.872 356 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 356 A C 2.455 179.884 177.584 -0.260 0.000 1.187 356 A CA 2.077 53.839 52.037 -0.460 0.000 0.614 356 A CB -1.006 17.369 19.000 -1.042 0.000 0.826 356 A HN 0.580 nan 8.150 nan 0.000 0.442 357 S N -0.850 114.612 115.700 -0.398 0.000 2.370 357 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 357 S C 1.670 175.995 174.600 -0.459 0.000 1.033 357 S CA 1.532 59.327 58.200 -0.675 0.000 1.011 357 S CB -0.557 61.798 63.200 -1.408 0.000 0.852 357 S HN 0.562 nan 8.310 nan 0.000 0.457 358 F N 2.171 121.884 119.950 -0.394 0.000 2.065 358 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 358 F C 2.033 177.826 175.800 -0.012 0.000 1.112 358 F CA 1.323 59.371 58.000 0.081 0.000 1.212 358 F CB -0.656 38.516 39.000 0.286 0.000 0.975 358 F HN 0.150 nan 8.300 nan 0.000 0.476 359 L N -0.044 121.160 121.223 -0.031 0.000 2.042 359 L HA -0.149 4.190 4.340 -0.000 0.000 0.210 359 L C 1.426 178.171 176.870 -0.209 0.000 1.076 359 L CA 1.417 56.055 54.840 -0.337 0.000 0.749 359 L CB -0.476 41.200 42.059 -0.638 0.000 0.893 359 L HN -0.302 nan 8.230 nan 0.000 0.432 360 T N 0.177 114.667 114.554 -0.107 0.000 2.809 360 T HA 0.023 4.373 4.350 -0.000 0.000 0.260 360 T C 1.657 176.390 174.700 0.055 0.000 1.039 360 T CA 0.921 63.031 62.100 0.016 0.000 1.141 360 T CB -0.095 68.765 68.868 -0.014 0.000 0.869 360 T HN 0.186 nan 8.240 nan 0.000 0.437 361 K N 0.287 120.546 120.400 -0.234 0.000 2.334 361 K HA 0.145 4.465 4.320 -0.000 0.000 0.195 361 K C 1.506 178.004 176.600 -0.171 0.000 1.045 361 K CA 0.653 56.665 56.287 -0.457 0.000 1.004 361 K CB 0.260 32.384 32.500 -0.626 0.000 0.837 361 K HN 0.213 nan 8.250 nan 0.000 0.510 362 D N 0.276 120.566 120.400 -0.184 0.000 2.414 362 D HA 0.049 4.689 4.640 -0.000 0.000 0.237 362 D C 1.794 177.941 176.300 -0.256 0.000 0.975 362 D CA 0.677 54.525 54.000 -0.253 0.000 0.917 362 D CB 0.359 40.754 40.800 -0.674 0.000 1.061 362 D HN -0.204 nan 8.370 nan 0.000 0.480 363 L N 0.272 121.277 121.223 -0.362 0.000 2.418 363 L HA 0.054 4.394 4.340 -0.000 0.000 0.218 363 L C 0.250 177.140 176.870 0.033 0.000 1.125 363 L CA 0.008 54.740 54.840 -0.180 0.000 0.835 363 L CB 0.238 42.156 42.059 -0.235 0.000 0.953 363 L HN -0.308 nan 8.230 nan 0.000 0.454 364 I N -0.316 120.347 120.570 0.156 0.000 6.521 364 I HA -0.281 3.889 4.170 -0.000 0.000 0.126 364 I C -0.562 175.838 176.117 0.471 0.000 1.822 364 I CA 0.239 61.827 61.300 0.479 0.000 2.063 364 I CB -1.429 36.847 38.000 0.460 0.000 3.493 364 I HN -0.408 nan 8.210 nan 0.000 0.177 365 I N 2.196 122.867 120.570 0.170 0.000 2.441 365 I HA 0.230 4.399 4.170 -0.000 0.000 0.295 365 I C 0.443 176.173 176.117 -0.645 0.000 0.994 365 I CA -0.775 60.464 61.300 -0.103 0.000 1.144 365 I CB 0.689 38.578 38.000 -0.185 0.000 1.314 365 I HN -0.375 nan 8.210 nan 0.000 0.445 366 D N 7.236 127.021 120.400 -1.025 0.000 2.662 366 D HA -0.160 4.480 4.640 -0.000 0.000 0.237 366 D C 1.236 176.826 176.300 -1.184 0.000 1.154 366 D CA 0.183 53.060 54.000 -1.871 0.000 0.861 366 D CB 0.592 40.720 40.800 -1.121 0.000 1.146 366 D HN 0.565 nan 8.370 nan 0.000 0.518 367 W N 4.762 125.449 121.300 -1.022 0.000 2.424 367 W HA -0.170 4.490 4.660 -0.000 0.000 0.264 367 W C 1.165 177.288 176.519 -0.659 0.000 1.229 367 W CA -0.138 56.839 57.345 -0.613 0.000 1.208 367 W CB -0.682 28.653 29.460 -0.207 0.000 1.127 367 W HN 0.394 nan 8.180 nan 0.000 0.588 368 R N 0.456 120.379 120.500 -0.961 0.000 2.152 368 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 368 R C 2.415 178.383 176.300 -0.554 0.000 1.117 368 R CA 1.113 56.766 56.100 -0.745 0.000 0.981 368 R CB -0.225 29.605 30.300 -0.783 0.000 0.870 368 R HN 0.018 nan 8.270 nan 0.000 0.451 369 R N -0.405 119.727 120.500 -0.613 0.000 2.115 369 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 369 R C 2.185 178.274 176.300 -0.352 0.000 1.111 369 R CA 1.387 57.147 56.100 -0.567 0.000 0.976 369 R CB -0.707 29.029 30.300 -0.940 0.000 0.870 369 R HN 0.332 nan 8.270 nan 0.000 0.445 370 G N 0.696 109.108 108.800 -0.646 0.000 2.403 370 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 370 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 370 G C 1.374 175.602 174.900 -1.121 0.000 1.154 370 G CA 0.315 44.877 45.100 -0.896 0.000 0.784 370 G HN 0.376 nan 8.290 nan 0.000 0.538 371 E N 0.099 119.504 120.200 -1.325 0.000 2.085 371 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 371 E C 2.342 178.827 176.600 -0.193 0.000 0.994 371 E CA 1.415 57.295 56.400 -0.866 0.000 0.801 371 E CB -0.162 29.327 29.700 -0.352 0.000 0.743 371 E HN 0.628 nan 8.360 nan 0.000 0.453 372 Q N -0.291 119.437 119.800 -0.121 0.000 2.123 372 Q HA -0.125 4.214 4.340 -0.000 0.000 0.199 372 Q C 1.649 177.770 176.000 0.203 0.000 0.966 372 Q CA 0.717 56.543 55.803 0.039 0.000 0.845 372 Q CB -0.026 28.717 28.738 0.008 0.000 0.907 372 Q HN -0.071 nan 8.270 nan 0.000 0.439 373 F N 0.215 120.298 119.950 0.223 0.000 2.171 373 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 373 F C 1.431 177.542 175.800 0.520 0.000 1.090 373 F CA -0.214 58.041 58.000 0.424 0.000 1.293 373 F CB -0.023 39.339 39.000 0.603 0.000 1.013 373 F HN -0.063 nan 8.300 nan 0.000 0.486 374 F N -0.129 119.974 119.950 0.256 0.000 2.102 374 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 374 F C 2.402 178.227 175.800 0.042 0.000 1.105 374 F CA 0.368 58.481 58.000 0.189 0.000 1.239 374 F CB -0.879 38.355 39.000 0.389 0.000 0.991 374 F HN -0.413 nan 8.300 nan 0.000 0.474 375 M N 0.322 120.056 119.600 0.223 0.000 2.202 375 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 375 M C 2.164 178.440 176.300 -0.040 0.000 1.063 375 M CA 0.657 55.999 55.300 0.070 0.000 1.097 375 M CB -1.295 31.338 32.600 0.056 0.000 1.382 375 M HN 0.180 nan 8.290 nan 0.000 0.413 376 Q N -1.217 118.533 119.800 -0.083 0.000 2.482 376 Q HA -0.047 4.293 4.340 -0.000 0.000 0.209 376 Q C 1.297 176.921 176.000 -0.626 0.000 0.961 376 Q CA 0.722 56.364 55.803 -0.269 0.000 0.945 376 Q CB 0.037 28.637 28.738 -0.230 0.000 1.012 376 Q HN 0.699 nan 8.270 nan 0.000 0.515 377 H N -1.686 117.223 119.070 -0.268 0.000 3.580 377 H HA 0.197 4.753 4.556 -0.000 0.000 0.245 377 H C 0.069 175.230 175.328 -0.278 0.000 1.015 377 H CA -0.145 55.722 56.048 -0.302 0.000 1.113 377 H CB 0.883 30.399 29.762 -0.410 0.000 1.469 377 H HN 0.076 nan 8.280 nan 0.000 0.554 378 L N 2.414 123.541 121.223 -0.159 0.000 2.410 378 L HA 0.103 4.442 4.340 -0.000 0.000 0.273 378 L C 1.820 178.608 176.870 -0.137 0.000 1.152 378 L CA -0.345 54.396 54.840 -0.164 0.000 0.855 378 L CB 0.997 42.956 42.059 -0.165 0.000 1.129 378 L HN -0.164 nan 8.230 nan 0.000 0.463 379 V N 4.397 124.253 119.914 -0.096 0.000 2.667 379 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 379 V C 0.896 176.960 176.094 -0.050 0.000 1.065 379 V CA 1.544 63.803 62.300 -0.067 0.000 1.083 379 V CB -0.500 31.332 31.823 0.016 0.000 0.692 379 V HN 0.817 nan 8.190 nan 0.000 0.468 380 D N -0.239 120.135 120.400 -0.043 0.000 2.388 380 D HA 0.196 4.835 4.640 -0.000 0.000 0.221 380 D C 1.011 177.251 176.300 -0.100 0.000 1.133 380 D CA 0.248 54.201 54.000 -0.079 0.000 0.831 380 D CB -0.543 40.249 40.800 -0.013 0.000 0.962 380 D HN 0.369 nan 8.370 nan 0.000 0.502 381 G N 0.578 109.326 108.800 -0.087 0.000 2.109 381 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.249 381 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.249 381 G C -0.592 174.259 174.900 -0.082 0.000 1.126 381 G CA -0.017 45.048 45.100 -0.058 0.000 0.923 381 G HN -0.216 nan 8.290 nan 0.000 0.439 382 D N 1.989 122.362 120.400 -0.045 0.000 2.736 382 D HA 0.040 4.680 4.640 -0.000 0.000 0.243 382 D C 1.223 177.520 176.300 -0.004 0.000 1.304 382 D CA -0.614 53.354 54.000 -0.053 0.000 0.934 382 D CB 0.828 41.587 40.800 -0.068 0.000 1.382 382 D HN -0.469 nan 8.370 nan 0.000 0.571 383 L N 4.688 125.918 121.223 0.011 0.000 2.010 383 L HA -0.128 4.211 4.340 -0.000 0.000 0.219 383 L C 1.981 178.870 176.870 0.032 0.000 1.077 383 L CA 2.880 57.743 54.840 0.039 0.000 0.773 383 L CB -0.859 41.230 42.059 0.050 0.000 0.892 383 L HN 0.621 nan 8.230 nan 0.000 0.436 384 A N -0.849 121.988 122.820 0.028 0.000 1.883 384 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 384 A C 2.412 179.950 177.584 -0.077 0.000 1.186 384 A CA 2.274 54.323 52.037 0.021 0.000 0.624 384 A CB -1.247 17.797 19.000 0.074 0.000 0.822 384 A HN 0.637 nan 8.150 nan 0.000 0.444 385 A N -0.436 122.338 122.820 -0.077 0.000 1.929 385 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 385 A C 2.050 179.492 177.584 -0.237 0.000 1.176 385 A CA 1.509 53.432 52.037 -0.190 0.000 0.628 385 A CB -0.665 18.285 19.000 -0.083 0.000 0.816 385 A HN 0.699 nan 8.150 nan 0.000 0.444 386 N N -0.243 118.419 118.700 -0.062 0.000 2.135 386 N HA -0.198 4.541 4.740 -0.000 0.000 0.186 386 N C 1.765 177.348 175.510 0.121 0.000 1.027 386 N CA 1.534 54.641 53.050 0.096 0.000 0.849 386 N CB -0.225 38.392 38.487 0.216 0.000 1.002 386 N HN 0.548 nan 8.380 nan 0.000 0.425 387 N N -0.173 118.560 118.700 0.055 0.000 2.166 387 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 387 N C 1.767 177.183 175.510 -0.157 0.000 1.019 387 N CA 1.625 54.710 53.050 0.058 0.000 0.856 387 N CB -0.408 38.128 38.487 0.083 0.000 0.993 387 N HN 0.299 nan 8.380 nan 0.000 0.426 388 G N -0.867 107.708 108.800 -0.376 0.000 2.402 388 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 388 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 388 G C 1.458 176.004 174.900 -0.591 0.000 1.162 388 G CA 0.727 45.392 45.100 -0.725 0.000 0.777 388 G HN 0.438 nan 8.290 nan 0.000 0.539 389 G N -0.154 108.310 108.800 -0.562 0.000 2.408 389 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 389 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 389 G C 1.573 176.185 174.900 -0.480 0.000 1.150 389 G CA 0.648 45.429 45.100 -0.531 0.000 0.776 389 G HN 0.487 nan 8.290 nan 0.000 0.542 390 W N 0.766 121.841 121.300 -0.375 0.000 2.418 390 W HA 0.082 4.742 4.660 -0.000 0.000 0.292 390 W C 2.996 178.865 176.519 -1.084 0.000 1.213 390 W CA 0.785 57.793 57.345 -0.563 0.000 1.283 390 W CB 0.057 29.276 29.460 -0.401 0.000 1.119 390 W HN 0.150 nan 8.180 nan 0.000 0.542 391 Q N -1.283 117.991 119.800 -0.877 0.000 2.167 391 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 391 Q C 1.477 177.136 176.000 -0.567 0.000 0.970 391 Q CA 0.724 55.978 55.803 -0.916 0.000 0.855 391 Q CB -0.441 28.040 28.738 -0.429 0.000 0.911 391 Q HN 0.051 nan 8.270 nan 0.000 0.438 392 W N 1.421 122.405 121.300 -0.528 0.000 2.333 392 W HA -0.131 4.529 4.660 -0.000 0.000 0.316 392 W C 1.960 178.200 176.519 -0.465 0.000 1.215 392 W CA 0.073 57.175 57.345 -0.405 0.000 1.278 392 W CB 0.133 29.364 29.460 -0.382 0.000 1.154 392 W HN -0.241 nan 8.180 nan 0.000 0.486 393 S N 0.294 115.612 115.700 -0.637 0.000 2.488 393 S HA -0.110 4.360 4.470 -0.000 0.000 0.246 393 S C 1.486 175.539 174.600 -0.912 0.000 0.992 393 S CA 1.328 58.901 58.200 -1.044 0.000 0.963 393 S CB -0.667 62.233 63.200 -0.500 0.000 0.754 393 S HN 0.517 nan 8.310 nan 0.000 0.519 394 A N 0.559 122.865 122.820 -0.856 0.000 2.551 394 A HA 0.173 4.492 4.320 -0.000 0.000 0.252 394 A C -0.154 176.841 177.584 -0.981 0.000 1.199 394 A CA -0.334 51.150 52.037 -0.922 0.000 0.972 394 A CB 0.673 19.146 19.000 -0.877 0.000 1.153 394 A HN -0.274 nan 8.150 nan 0.000 0.559 395 S N 0.148 115.435 115.700 -0.688 0.000 3.614 395 S HA -0.124 4.346 4.470 -0.000 0.000 0.360 395 S C 1.008 175.418 174.600 -0.318 0.000 1.023 395 S CA -0.268 57.706 58.200 -0.377 0.000 1.114 395 S CB -1.408 61.672 63.200 -0.199 0.000 0.907 395 S HN 0.316 nan 8.310 nan 0.000 0.470 396 S N -0.574 114.872 115.700 -0.424 0.000 2.540 396 S HA 0.376 4.846 4.470 -0.000 0.000 0.218 396 S C 1.043 175.745 174.600 0.169 0.000 0.977 396 S CA -0.706 57.409 58.200 -0.141 0.000 0.918 396 S CB 0.452 63.586 63.200 -0.110 0.000 0.806 396 S HN 0.464 nan 8.310 nan 0.000 0.496 397 G N 1.266 110.125 108.800 0.098 0.000 3.359 397 G HA2 0.594 4.554 3.960 -0.000 0.000 0.187 397 G HA3 0.594 4.554 3.960 -0.000 0.000 0.187 397 G C -0.579 174.397 174.900 0.127 0.000 1.294 397 G CA -0.726 44.467 45.100 0.156 0.000 0.769 397 G HN 0.240 nan 8.290 nan 0.000 0.733 398 M N 1.058 120.712 119.600 0.090 0.000 2.226 398 M HA 0.357 4.837 4.480 -0.000 0.000 0.324 398 M C 0.197 176.683 176.300 0.310 0.000 1.112 398 M CA -0.035 55.377 55.300 0.186 0.000 1.176 398 M CB 0.460 33.191 32.600 0.218 0.000 1.430 398 M HN 0.571 nan 8.290 nan 0.000 0.462 399 D N 1.047 121.645 120.400 0.331 0.000 2.735 399 D HA -0.139 4.501 4.640 -0.000 0.000 0.235 399 D C -2.277 174.142 176.300 0.199 0.000 1.175 399 D CA 0.047 54.206 54.000 0.265 0.000 0.683 399 D CB -0.687 40.292 40.800 0.298 0.000 1.008 399 D HN 0.280 nan 8.370 nan 0.000 0.416 400 P HA 0.299 nan 4.420 nan 0.000 0.273 400 P C -0.251 177.103 177.300 0.089 0.000 1.258 400 P CA 0.102 63.271 63.100 0.115 0.000 0.802 400 P CB 0.535 32.322 31.700 0.146 0.000 1.040 401 K N -1.420 119.013 120.400 0.056 0.000 2.642 401 K HA 0.286 4.606 4.320 -0.000 0.000 0.290 401 K C -2.974 173.646 176.600 0.033 0.000 1.006 401 K CA -1.342 54.969 56.287 0.041 0.000 0.869 401 K CB 0.894 33.401 32.500 0.013 0.000 1.499 401 K HN -0.024 nan 8.250 nan 0.000 0.403 402 P HA -0.007 nan 4.420 nan 0.000 0.269 402 P C -0.012 177.280 177.300 -0.012 0.000 1.209 402 P CA -0.436 62.688 63.100 0.040 0.000 0.776 402 P CB 0.465 32.191 31.700 0.044 0.000 0.876 403 L N 2.796 124.005 121.223 -0.023 0.000 2.506 403 L HA -0.012 4.328 4.340 -0.000 0.000 0.281 403 L C 0.596 177.421 176.870 -0.075 0.000 1.228 403 L CA 0.518 55.299 54.840 -0.098 0.000 0.850 403 L CB 0.327 42.279 42.059 -0.178 0.000 1.110 403 L HN -0.129 nan 8.230 nan 0.000 0.496 404 R N 5.467 125.899 120.500 -0.114 0.000 2.745 404 R HA 0.289 4.628 4.340 -0.000 0.000 0.290 404 R C -1.776 174.473 176.300 -0.085 0.000 1.260 404 R CA -0.407 55.654 56.100 -0.066 0.000 1.045 404 R CB 0.588 30.856 30.300 -0.054 0.000 1.257 404 R HN 0.608 nan 8.270 nan 0.000 0.400 405 I N 6.704 127.262 120.570 -0.019 0.000 2.312 405 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 405 I C 0.758 177.015 176.117 0.234 0.000 1.031 405 I CA -0.806 60.516 61.300 0.036 0.000 1.293 405 I CB 0.353 38.362 38.000 0.013 0.000 1.403 405 I HN 0.362 nan 8.210 nan 0.000 0.484 406 F N 6.681 126.626 119.950 -0.009 0.000 2.444 406 F HA 0.329 4.856 4.527 -0.000 0.000 0.331 406 F C -0.059 175.782 175.800 0.068 0.000 1.167 406 F CA -1.292 56.734 58.000 0.043 0.000 1.262 406 F CB 0.191 39.214 39.000 0.039 0.000 1.196 406 F HN 0.395 nan 8.300 nan 0.000 0.583 407 N N 3.339 121.796 118.700 -0.406 0.000 2.479 407 N HA 0.360 5.100 4.740 -0.000 0.000 0.261 407 N C -2.325 172.695 175.510 -0.817 0.000 0.979 407 N CA -2.400 50.247 53.050 -0.671 0.000 0.930 407 N CB 1.672 40.029 38.487 -0.217 0.000 1.172 407 N HN 0.199 nan 8.380 nan 0.000 0.499 408 P HA -0.180 nan 4.420 nan 0.000 0.216 408 P C 1.002 178.173 177.300 -0.216 0.000 1.157 408 P CA 1.913 64.656 63.100 -0.594 0.000 0.880 408 P CB 0.258 31.751 31.700 -0.345 0.000 0.791 409 A N -0.482 122.230 122.820 -0.179 0.000 1.869 409 A HA -0.280 4.039 4.320 -0.000 0.000 0.218 409 A C 2.370 179.918 177.584 -0.060 0.000 1.203 409 A CA 2.883 54.874 52.037 -0.076 0.000 0.638 409 A CB -1.715 17.250 19.000 -0.059 0.000 0.831 409 A HN 0.194 nan 8.150 nan 0.000 0.450 410 S N -0.345 115.307 115.700 -0.081 0.000 2.359 410 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 410 S C 2.115 176.701 174.600 -0.024 0.000 1.035 410 S CA 1.479 59.651 58.200 -0.048 0.000 1.018 410 S CB -0.424 62.754 63.200 -0.036 0.000 0.876 410 S HN 0.601 nan 8.310 nan 0.000 0.448 411 Q N 1.057 120.879 119.800 0.038 0.000 2.096 411 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 411 Q C 2.602 178.721 176.000 0.198 0.000 0.982 411 Q CA 1.604 57.537 55.803 0.218 0.000 0.850 411 Q CB -0.816 28.112 28.738 0.317 0.000 0.901 411 Q HN 0.591 nan 8.270 nan 0.000 0.422 412 A N 1.419 124.302 122.820 0.105 0.000 1.865 412 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 412 A C 2.162 179.771 177.584 0.043 0.000 1.191 412 A CA 1.981 54.074 52.037 0.093 0.000 0.623 412 A CB -0.593 18.439 19.000 0.053 0.000 0.826 412 A HN 0.326 nan 8.150 nan 0.000 0.444 413 K N -0.332 120.061 120.400 -0.012 0.000 2.044 413 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 413 K C 2.226 178.764 176.600 -0.103 0.000 1.049 413 K CA 2.086 58.344 56.287 -0.048 0.000 0.927 413 K CB -0.187 32.280 32.500 -0.055 0.000 0.713 413 K HN 0.481 nan 8.250 nan 0.000 0.443 414 K N -0.667 119.605 120.400 -0.213 0.000 2.025 414 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 414 K C 1.534 177.852 176.600 -0.470 0.000 1.049 414 K CA 1.660 57.651 56.287 -0.492 0.000 0.933 414 K CB 0.005 31.949 32.500 -0.927 0.000 0.714 414 K HN 0.102 nan 8.250 nan 0.000 0.438 415 F N -0.763 119.267 119.950 0.135 0.000 2.731 415 F HA 0.184 4.711 4.527 -0.000 0.000 0.298 415 F C 0.564 176.491 175.800 0.212 0.000 1.106 415 F CA -0.214 57.927 58.000 0.236 0.000 1.329 415 F CB 0.566 39.570 39.000 0.006 0.000 1.100 415 F HN -0.030 nan 8.300 nan 0.000 0.592 416 D N -0.252 120.270 120.400 0.203 0.000 2.908 416 D HA 0.379 5.019 4.640 -0.000 0.000 0.361 416 D C 1.546 177.875 176.300 0.048 0.000 1.416 416 D CA 0.214 54.291 54.000 0.128 0.000 0.796 416 D CB 0.214 41.103 40.800 0.148 0.000 1.185 416 D HN 0.026 nan 8.370 nan 0.000 0.451 417 A N -0.445 122.373 122.820 -0.003 0.000 1.971 417 A HA -0.245 4.075 4.320 -0.000 0.000 0.222 417 A C 2.082 179.645 177.584 -0.034 0.000 1.182 417 A CA 2.538 54.551 52.037 -0.039 0.000 0.649 417 A CB -0.785 18.166 19.000 -0.081 0.000 0.818 417 A HN 0.435 nan 8.150 nan 0.000 0.458 418 T N -5.246 109.287 114.554 -0.035 0.000 3.086 418 T HA 0.484 4.833 4.350 -0.000 0.000 0.250 418 T C 0.983 175.676 174.700 -0.012 0.000 1.074 418 T CA 1.011 63.093 62.100 -0.030 0.000 0.988 418 T CB 0.089 68.932 68.868 -0.043 0.000 0.988 418 T HN 1.926 nan 8.240 nan 0.000 0.530 419 A N 0.357 123.185 122.820 0.013 0.000 2.952 419 A HA -0.233 4.087 4.320 -0.000 0.000 0.252 419 A C 1.565 179.168 177.584 0.032 0.000 1.323 419 A CA 1.397 53.449 52.037 0.025 0.000 0.957 419 A CB -2.808 16.179 19.000 -0.023 0.000 1.130 419 A HN 0.559 nan 8.150 nan 0.000 0.799 420 T N -0.746 113.837 114.554 0.047 0.000 2.708 420 T HA -0.194 4.155 4.350 -0.000 0.000 0.266 420 T C 1.284 176.031 174.700 0.078 0.000 1.037 420 T CA 0.310 62.434 62.100 0.039 0.000 1.146 420 T CB -0.206 68.688 68.868 0.043 0.000 0.865 420 T HN 0.287 nan 8.240 nan 0.000 0.435 421 Y N 2.029 122.358 120.300 0.048 0.000 2.181 421 Y HA -0.133 4.417 4.550 -0.000 0.000 0.288 421 Y C 1.530 177.530 175.900 0.165 0.000 1.146 421 Y CA 0.077 58.258 58.100 0.135 0.000 1.164 421 Y CB -0.022 38.541 38.460 0.173 0.000 0.982 421 Y HN -0.383 nan 8.280 nan 0.000 0.515 422 I N 0.663 121.337 120.570 0.174 0.000 2.142 422 I HA -0.305 3.865 4.170 -0.000 0.000 0.240 422 I C 2.028 178.097 176.117 -0.080 0.000 1.078 422 I CA 0.899 62.230 61.300 0.052 0.000 1.343 422 I CB -0.252 37.778 38.000 0.049 0.000 1.046 422 I HN -0.073 nan 8.210 nan 0.000 0.405 423 K N 0.048 120.386 120.400 -0.104 0.000 2.283 423 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 423 K C 1.842 178.308 176.600 -0.225 0.000 1.048 423 K CA 0.393 56.588 56.287 -0.155 0.000 0.948 423 K CB -0.100 32.321 32.500 -0.132 0.000 0.742 423 K HN 0.066 nan 8.250 nan 0.000 0.458 424 R N 0.722 121.034 120.500 -0.314 0.000 2.092 424 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 424 R C 1.531 177.345 176.300 -0.810 0.000 1.119 424 R CA 0.670 56.426 56.100 -0.573 0.000 0.970 424 R CB -0.022 29.860 30.300 -0.698 0.000 0.864 424 R HN 0.053 nan 8.270 nan 0.000 0.440 425 W N -0.009 121.125 121.300 -0.278 0.000 2.996 425 W HA 0.159 4.818 4.660 -0.000 0.000 0.270 425 W C 0.276 176.701 176.519 -0.156 0.000 1.280 425 W CA -0.605 56.598 57.345 -0.237 0.000 1.549 425 W CB 0.252 29.502 29.460 -0.349 0.000 1.079 425 W HN -0.263 nan 8.180 nan 0.000 0.629 426 L N 1.376 122.578 121.223 -0.036 0.000 2.892 426 L HA 0.359 4.699 4.340 -0.000 0.000 0.251 426 L C -1.677 175.122 176.870 -0.118 0.000 1.339 426 L CA -0.963 53.840 54.840 -0.061 0.000 0.900 426 L CB 0.276 42.266 42.059 -0.116 0.000 1.246 426 L HN -0.392 nan 8.230 nan 0.000 0.524 427 P HA -0.264 nan 4.420 nan 0.000 0.216 427 P C 1.045 178.304 177.300 -0.068 0.000 1.154 427 P CA 1.516 64.556 63.100 -0.100 0.000 0.865 427 P CB 0.124 31.772 31.700 -0.087 0.000 0.789 428 E N -0.439 119.739 120.200 -0.036 0.000 2.492 428 E HA -0.149 4.201 4.350 -0.000 0.000 0.204 428 E C 1.030 177.616 176.600 -0.023 0.000 1.073 428 E CA 0.777 57.187 56.400 0.017 0.000 0.887 428 E CB -0.677 29.053 29.700 0.049 0.000 0.813 428 E HN 0.284 nan 8.360 nan 0.000 0.562 429 L N 0.218 121.323 121.223 -0.196 0.000 3.184 429 L HA 0.218 4.558 4.340 -0.000 0.000 0.283 429 L C 1.717 178.317 176.870 -0.451 0.000 1.218 429 L CA -0.144 54.409 54.840 -0.478 0.000 1.028 429 L CB 0.344 42.102 42.059 -0.502 0.000 1.400 429 L HN -0.128 nan 8.230 nan 0.000 0.591 430 R N 0.104 120.470 120.500 -0.223 0.000 2.127 430 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 430 R C 1.952 178.183 176.300 -0.115 0.000 1.134 430 R CA 1.608 57.622 56.100 -0.144 0.000 0.975 430 R CB -0.275 29.984 30.300 -0.068 0.000 0.865 430 R HN 0.658 nan 8.270 nan 0.000 0.447 431 H N -1.031 118.009 119.070 -0.050 0.000 2.491 431 H HA 0.048 4.603 4.556 -0.000 0.000 0.290 431 H C 0.678 176.011 175.328 0.009 0.000 1.050 431 H CA 0.240 56.278 56.048 -0.017 0.000 1.309 431 H CB -0.501 29.256 29.762 -0.008 0.000 1.392 431 H HN -0.158 nan 8.280 nan 0.000 0.554 432 V N 2.237 121.896 119.914 -0.425 0.000 3.185 432 V HA -0.048 4.072 4.120 -0.000 0.000 0.305 432 V C 0.249 176.239 176.094 -0.173 0.000 1.090 432 V CA -0.681 61.433 62.300 -0.309 0.000 1.107 432 V CB 0.109 31.594 31.823 -0.563 0.000 1.061 432 V HN -0.415 nan 8.190 nan 0.000 0.480 433 H N 1.752 120.777 119.070 -0.075 0.000 2.652 433 H HA 0.411 4.967 4.556 -0.000 0.000 0.298 433 H C -1.963 173.331 175.328 -0.057 0.000 1.076 433 H CA -2.469 53.548 56.048 -0.051 0.000 1.360 433 H CB -0.376 29.369 29.762 -0.028 0.000 1.421 433 H HN -0.017 nan 8.280 nan 0.000 0.464 434 P HA -0.346 nan 4.420 nan 0.000 0.225 434 P C 1.141 178.416 177.300 -0.042 0.000 1.154 434 P CA 1.682 64.754 63.100 -0.047 0.000 0.933 434 P CB 0.256 31.947 31.700 -0.016 0.000 0.790 435 K N -0.893 119.513 120.400 0.010 0.000 2.089 435 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 435 K C 1.750 178.346 176.600 -0.008 0.000 1.048 435 K CA 1.840 58.141 56.287 0.023 0.000 0.926 435 K CB -1.230 31.314 32.500 0.074 0.000 0.714 435 K HN 0.259 nan 8.250 nan 0.000 0.448 436 D N -0.172 120.186 120.400 -0.069 0.000 2.137 436 D HA -0.016 4.624 4.640 -0.000 0.000 0.202 436 D C 1.878 178.071 176.300 -0.178 0.000 0.970 436 D CA 0.707 54.605 54.000 -0.171 0.000 0.837 436 D CB -0.114 40.370 40.800 -0.527 0.000 0.981 436 D HN 0.065 nan 8.370 nan 0.000 0.475 437 L N 0.130 121.231 121.223 -0.204 0.000 2.046 437 L HA -0.158 4.181 4.340 -0.000 0.000 0.208 437 L C 2.084 178.905 176.870 -0.083 0.000 1.077 437 L CA 0.539 55.282 54.840 -0.162 0.000 0.747 437 L CB -0.233 41.729 42.059 -0.162 0.000 0.896 437 L HN 0.017 nan 8.230 nan 0.000 0.432 438 I N -0.201 120.334 120.570 -0.058 0.000 2.252 438 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 438 I C 2.742 178.842 176.117 -0.029 0.000 1.102 438 I CA 1.647 62.931 61.300 -0.027 0.000 1.385 438 I CB -0.728 37.261 38.000 -0.019 0.000 1.064 438 I HN 0.246 nan 8.210 nan 0.000 0.414 439 S N -0.159 115.519 115.700 -0.037 0.000 2.453 439 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 439 S C 1.922 176.490 174.600 -0.053 0.000 1.005 439 S CA 0.583 58.764 58.200 -0.032 0.000 0.949 439 S CB -0.514 62.675 63.200 -0.018 0.000 0.774 439 S HN 0.602 nan 8.310 nan 0.000 0.510 440 G N 0.939 109.694 108.800 -0.075 0.000 2.179 440 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 440 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 440 G C -0.245 174.595 174.900 -0.101 0.000 0.977 440 G CA 0.188 45.220 45.100 -0.114 0.000 0.641 440 G HN 0.607 nan 8.290 nan 0.000 0.533 441 E N 0.378 120.540 120.200 -0.063 0.000 2.014 441 E HA 0.549 4.899 4.350 -0.000 0.000 0.275 441 E C 0.040 176.628 176.600 -0.019 0.000 0.997 441 E CA -0.316 56.066 56.400 -0.030 0.000 0.804 441 E CB 0.822 30.519 29.700 -0.004 0.000 1.090 441 E HN 0.466 nan 8.360 nan 0.000 0.401 442 I N 3.122 123.686 120.570 -0.009 0.000 2.433 442 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 442 I C 0.217 176.368 176.117 0.056 0.000 1.001 442 I CA -0.682 60.618 61.300 0.000 0.000 1.119 442 I CB 1.576 39.562 38.000 -0.024 0.000 1.289 442 I HN -0.224 nan 8.210 nan 0.000 0.438 443 T N 2.635 117.244 114.554 0.092 0.000 2.916 443 T HA 0.217 4.567 4.350 -0.000 0.000 0.303 443 T C -1.239 173.514 174.700 0.088 0.000 1.025 443 T CA -1.776 60.377 62.100 0.089 0.000 1.142 443 T CB 0.373 69.303 68.868 0.103 0.000 0.947 443 T HN -0.018 nan 8.240 nan 0.000 0.544 444 P HA -0.141 nan 4.420 nan 0.000 0.219 444 P C 0.433 177.776 177.300 0.071 0.000 1.144 444 P CA 0.758 63.899 63.100 0.068 0.000 0.806 444 P CB 0.208 31.938 31.700 0.049 0.000 0.771 445 I N -2.727 117.884 120.570 0.067 0.000 2.585 445 I HA 0.081 4.251 4.170 -0.000 0.000 0.254 445 I C 1.805 177.958 176.117 0.061 0.000 1.129 445 I CA 0.396 61.727 61.300 0.052 0.000 1.455 445 I CB -0.997 37.023 38.000 0.033 0.000 1.111 445 I HN -0.377 nan 8.210 nan 0.000 0.433 446 E N 2.003 122.276 120.200 0.123 0.000 2.340 446 E HA 0.084 4.433 4.350 -0.000 0.000 0.194 446 E C 1.373 178.287 176.600 0.523 0.000 0.996 446 E CA -0.049 56.485 56.400 0.224 0.000 0.869 446 E CB -0.197 29.688 29.700 0.308 0.000 0.835 446 E HN 0.486 nan 8.360 nan 0.000 0.493 447 R N 1.575 122.227 120.500 0.254 0.000 2.349 447 R HA 0.333 4.673 4.340 -0.000 0.000 0.299 447 R C -0.502 175.919 176.300 0.202 0.000 1.027 447 R CA -0.542 55.676 56.100 0.196 0.000 0.958 447 R CB 1.000 31.391 30.300 0.152 0.000 1.047 447 R HN -0.117 nan 8.270 nan 0.000 0.468 448 R N 2.230 122.861 120.500 0.218 0.000 2.771 448 R HA 0.312 4.652 4.340 -0.000 0.000 0.274 448 R C 0.524 176.922 176.300 0.164 0.000 0.987 448 R CA -0.610 55.583 56.100 0.155 0.000 0.908 448 R CB 1.805 32.173 30.300 0.114 0.000 1.213 448 R HN 0.920 nan 8.270 nan 0.000 0.468 449 G N 1.564 110.427 108.800 0.106 0.000 3.025 449 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.235 449 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.235 449 G C 0.072 175.036 174.900 0.107 0.000 1.142 449 G CA 0.683 45.835 45.100 0.087 0.000 0.964 449 G HN 0.410 nan 8.290 nan 0.000 0.671 450 Y N 4.902 125.223 120.300 0.034 0.000 2.805 450 Y HA 0.071 4.621 4.550 -0.000 0.000 0.331 450 Y C -1.401 174.513 175.900 0.023 0.000 1.241 450 Y CA -3.453 54.662 58.100 0.025 0.000 1.546 450 Y CB 0.596 39.065 38.460 0.016 0.000 1.248 450 Y HN -0.294 nan 8.280 nan 0.000 0.559 451 P HA -0.024 nan 4.420 nan 0.000 0.271 451 P C -0.588 176.551 177.300 -0.269 0.000 1.233 451 P CA -0.304 62.604 63.100 -0.321 0.000 0.789 451 P CB 0.586 32.098 31.700 -0.314 0.000 0.951 452 A N 2.376 125.134 122.820 -0.104 0.000 2.271 452 A HA 0.563 4.883 4.320 -0.000 0.000 0.288 452 A C -2.237 175.321 177.584 -0.043 0.000 1.094 452 A CA -1.850 50.160 52.037 -0.046 0.000 0.828 452 A CB -1.154 17.843 19.000 -0.003 0.000 1.091 452 A HN 0.383 nan 8.150 nan 0.000 0.493 453 P HA 0.003 nan 4.420 nan 0.000 0.261 453 P C 0.869 178.272 177.300 0.172 0.000 1.183 453 P CA 0.300 63.407 63.100 0.011 0.000 0.761 453 P CB 0.138 31.751 31.700 -0.144 0.000 0.785 454 I N 2.134 122.876 120.570 0.287 0.000 2.756 454 I HA -0.051 4.119 4.170 -0.000 0.000 0.262 454 I C 0.041 176.297 176.117 0.232 0.000 1.225 454 I CA 0.350 61.785 61.300 0.225 0.000 1.472 454 I CB -0.157 37.977 38.000 0.224 0.000 1.094 454 I HN -0.132 nan 8.210 nan 0.000 0.454 455 V N -3.001 117.114 119.914 0.334 0.000 3.159 455 V HA 0.317 4.437 4.120 -0.000 0.000 0.308 455 V C -1.150 175.140 176.094 0.326 0.000 1.190 455 V CA -0.993 61.462 62.300 0.259 0.000 1.037 455 V CB 1.856 33.790 31.823 0.185 0.000 1.060 455 V HN -0.320 nan 8.190 nan 0.000 0.437 456 N N 0.871 119.710 118.700 0.232 0.000 2.485 456 N HA 0.041 4.781 4.740 -0.000 0.000 0.243 456 N C 0.548 176.206 175.510 0.247 0.000 0.987 456 N CA -0.163 53.024 53.050 0.229 0.000 0.940 456 N CB 0.691 39.259 38.487 0.137 0.000 1.122 456 N HN 0.096 nan 8.380 nan 0.000 0.509 457 H N 5.672 124.899 119.070 0.262 0.000 2.292 457 H HA -0.209 4.346 4.556 -0.000 0.000 0.292 457 H C 1.134 176.533 175.328 0.118 0.000 1.100 457 H CA 1.819 57.982 56.048 0.193 0.000 1.238 457 H CB 0.207 30.106 29.762 0.228 0.000 1.355 457 H HN 0.534 nan 8.280 nan 0.000 0.484 458 N N -0.194 118.490 118.700 -0.027 0.000 2.166 458 N HA -0.122 4.617 4.740 -0.000 0.000 0.186 458 N C 1.921 177.392 175.510 -0.065 0.000 1.019 458 N CA 1.714 54.701 53.050 -0.105 0.000 0.856 458 N CB -0.543 37.948 38.487 0.006 0.000 0.993 458 N HN 0.475 nan 8.380 nan 0.000 0.426 459 L N -0.691 120.533 121.223 0.001 0.000 2.093 459 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 459 L C 2.513 179.393 176.870 0.017 0.000 1.085 459 L CA 0.687 55.538 54.840 0.019 0.000 0.755 459 L CB -0.329 41.757 42.059 0.045 0.000 0.904 459 L HN 0.226 nan 8.230 nan 0.000 0.435 460 R N -0.069 120.434 120.500 0.006 0.000 2.075 460 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 460 R C 2.035 178.354 176.300 0.031 0.000 1.126 460 R CA 1.139 57.258 56.100 0.030 0.000 0.963 460 R CB -0.766 29.551 30.300 0.028 0.000 0.858 460 R HN 0.459 nan 8.270 nan 0.000 0.435 461 Q N 1.242 120.979 119.800 -0.105 0.000 2.096 461 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 461 Q C 1.661 177.699 176.000 0.062 0.000 0.982 461 Q CA 1.840 57.599 55.803 -0.072 0.000 0.850 461 Q CB 0.099 28.692 28.738 -0.242 0.000 0.901 461 Q HN 0.284 nan 8.270 nan 0.000 0.422 462 K N -0.014 120.406 120.400 0.034 0.000 2.057 462 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 462 K C 2.220 178.873 176.600 0.089 0.000 1.050 462 K CA 1.382 57.705 56.287 0.060 0.000 0.935 462 K CB -0.164 32.355 32.500 0.032 0.000 0.715 462 K HN 0.313 nan 8.250 nan 0.000 0.439 463 Q N 0.476 120.331 119.800 0.091 0.000 2.061 463 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 463 Q C 2.011 178.096 176.000 0.141 0.000 0.984 463 Q CA 1.627 57.484 55.803 0.091 0.000 0.846 463 Q CB -0.157 28.634 28.738 0.089 0.000 0.902 463 Q HN 0.264 nan 8.270 nan 0.000 0.421 464 F N 1.213 121.215 119.950 0.088 0.000 2.075 464 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 464 F C 1.995 177.910 175.800 0.191 0.000 1.113 464 F CA 1.794 59.899 58.000 0.175 0.000 1.218 464 F CB -0.022 39.072 39.000 0.155 0.000 0.984 464 F HN -0.016 nan 8.300 nan 0.000 0.472 465 K N 0.180 120.794 120.400 0.356 0.000 2.103 465 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 465 K C 2.277 178.970 176.600 0.155 0.000 1.048 465 K CA 1.258 57.703 56.287 0.263 0.000 0.930 465 K CB -0.619 31.999 32.500 0.196 0.000 0.716 465 K HN 0.374 nan 8.250 nan 0.000 0.444 466 A N 1.703 124.571 122.820 0.081 0.000 1.858 466 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 466 A C 2.189 179.736 177.584 -0.063 0.000 1.190 466 A CA 1.223 53.265 52.037 0.009 0.000 0.617 466 A CB -0.703 18.294 19.000 -0.004 0.000 0.827 466 A HN 0.150 nan 8.150 nan 0.000 0.443 467 L N -2.107 119.045 121.223 -0.118 0.000 2.042 467 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 467 L C 2.627 179.344 176.870 -0.256 0.000 1.076 467 L CA 1.964 56.632 54.840 -0.286 0.000 0.749 467 L CB -0.652 41.121 42.059 -0.477 0.000 0.893 467 L HN 0.614 nan 8.230 nan 0.000 0.432 468 Y N 1.152 121.314 120.300 -0.230 0.000 2.181 468 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 468 Y C 2.516 178.322 175.900 -0.156 0.000 1.146 468 Y CA 1.680 59.683 58.100 -0.162 0.000 1.164 468 Y CB -0.161 38.209 38.460 -0.150 0.000 0.982 468 Y HN 0.218 nan 8.280 nan 0.000 0.515 469 N N 0.207 118.855 118.700 -0.087 0.000 2.216 469 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 469 N C 1.738 177.124 175.510 -0.206 0.000 1.017 469 N CA 1.555 54.513 53.050 -0.153 0.000 0.861 469 N CB -0.440 38.038 38.487 -0.014 0.000 0.986 469 N HN 0.568 nan 8.380 nan 0.000 0.428 470 Q N 0.497 120.187 119.800 -0.183 0.000 2.030 470 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 470 Q C 2.059 177.918 176.000 -0.234 0.000 0.986 470 Q CA 1.036 56.729 55.803 -0.184 0.000 0.843 470 Q CB -0.264 28.366 28.738 -0.180 0.000 0.904 470 Q HN 0.181 nan 8.270 nan 0.000 0.420 471 L N 1.487 122.526 121.223 -0.307 0.000 1.971 471 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 471 L C 1.956 178.624 176.870 -0.338 0.000 1.072 471 L CA 1.876 56.513 54.840 -0.338 0.000 0.758 471 L CB -0.382 41.430 42.059 -0.412 0.000 0.889 471 L HN 0.062 nan 8.230 nan 0.000 0.433 472 K N -0.390 119.744 120.400 -0.443 0.000 2.385 472 K HA -0.163 4.157 4.320 -0.000 0.000 0.202 472 K C 0.833 177.293 176.600 -0.233 0.000 1.044 472 K CA 1.029 57.089 56.287 -0.379 0.000 0.933 472 K CB -0.512 31.740 32.500 -0.414 0.000 0.744 472 K HN 0.465 nan 8.250 nan 0.000 0.479 473 A N 0.796 123.494 122.820 -0.203 0.000 3.157 473 A HA 0.497 4.817 4.320 -0.000 0.000 0.276 473 A C -0.181 177.321 177.584 -0.137 0.000 1.524 473 A CA 0.287 52.238 52.037 -0.145 0.000 1.236 473 A CB -0.033 18.892 19.000 -0.124 0.000 1.173 473 A HN 0.185 nan 8.150 nan 0.000 0.595 474 A N 0.861 123.599 122.820 -0.136 0.000 1.731 474 A HA 0.333 4.653 4.320 -0.000 0.000 0.235 474 A C -0.666 176.840 177.584 -0.130 0.000 2.726 474 A CA 0.036 52.001 52.037 -0.121 0.000 2.147 474 A CB -1.331 17.594 19.000 -0.124 0.000 0.297 474 A HN 1.338 nan 8.150 nan 0.000 0.973 475 I N 0.000 120.501 120.570 -0.116 0.000 2.984 475 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 475 I CA 0.000 61.233 61.300 -0.112 0.000 1.566 475 I CB 0.000 37.919 38.000 -0.135 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494