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 1j1z_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIVLAYSGG LDTSIILKWL KETYRAEVIA FTADIGQGEE VEEAREKALR DATA SEQUENCE TGASKAIALD LKEEFVRDFV FPMMRAGAVY EGYYLLGTSI ARPLIAKHLV DATA SEQUENCE RIAEEEGAEA IAHGATGKGN DQVRFELTAY ALKPDIKVIA PWREWSFQGR DATA SEQUENCE KEMIAYAEAH GIPVPXXXXX PYSMDANLLH ISYEGGVLED PWAEPPKGMF DATA SEQUENCE RMTQDPEEAP DAPEYVEVEF FEGDPVAVNG ERLSPAALLQ RLNEIGGRHG DATA SEQUENCE VGRVDIVENR FVGMKSRGVY ETPGGTILYH ARRAVESLTL DREVLHQRDM DATA SEQUENCE LSPKYAELVY YGFWYAPERE ALQAYFDHVA RSVTGVARLK LYKGNVYVVG DATA SEQUENCE RKAPKSLYRQ DLVSFXXXXG YDQKDAEGFI KIQALRLRVR ALVER 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 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.313 55.300 0.021 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 K N 4.832 125.232 120.400 -0.000 0.000 2.221 2 K HA 0.780 5.101 4.320 0.002 0.000 0.258 2 K C -1.359 175.225 176.600 -0.026 0.000 0.944 2 K CA -0.611 55.670 56.287 -0.010 0.000 0.823 2 K CB 2.246 34.740 32.500 -0.009 0.000 1.113 2 K HN 0.593 nan 8.250 nan 0.000 0.431 3 I N 2.587 123.137 120.570 -0.033 0.000 2.466 3 I HA 0.221 4.391 4.170 0.002 0.000 0.289 3 I C -0.646 175.449 176.117 -0.036 0.000 1.026 3 I CA -1.225 60.041 61.300 -0.057 0.000 1.078 3 I CB 2.113 40.059 38.000 -0.090 0.000 1.249 3 I HN 0.187 nan 8.210 nan 0.000 0.429 4 V N 6.715 126.606 119.914 -0.038 0.000 2.348 4 V HA 0.267 4.388 4.120 0.002 0.000 0.270 4 V C -0.151 175.942 176.094 -0.002 0.000 1.037 4 V CA -0.492 61.800 62.300 -0.013 0.000 0.872 4 V CB 1.310 33.117 31.823 -0.027 0.000 1.002 4 V HN 0.409 nan 8.190 nan 0.000 0.464 5 L N 5.426 126.670 121.223 0.036 0.000 2.295 5 L HA 0.791 5.132 4.340 0.002 0.000 0.285 5 L C 0.589 177.534 176.870 0.124 0.000 1.035 5 L CA -0.164 54.709 54.840 0.057 0.000 0.806 5 L CB 1.303 43.407 42.059 0.076 0.000 1.214 5 L HN 0.684 nan 8.230 nan 0.000 0.426 6 A N 5.018 127.879 122.820 0.068 0.000 2.410 6 A HA 0.215 4.536 4.320 0.002 0.000 0.292 6 A C -1.143 176.502 177.584 0.100 0.000 1.232 6 A CA -0.029 52.048 52.037 0.067 0.000 0.893 6 A CB -0.802 18.106 19.000 -0.153 0.000 1.131 6 A HN 0.678 nan 8.150 nan 0.000 0.530 7 Y N 3.481 123.756 120.300 -0.042 0.000 2.369 7 Y HA 0.342 4.893 4.550 0.002 0.000 0.337 7 Y C 1.283 177.133 175.900 -0.083 0.000 0.961 7 Y CA -0.329 57.747 58.100 -0.040 0.000 1.186 7 Y CB 1.430 39.878 38.460 -0.020 0.000 1.139 7 Y HN 0.692 nan 8.280 nan 0.000 0.494 8 S N 2.393 117.860 115.700 -0.388 0.000 2.496 8 S HA 0.206 4.677 4.470 0.002 0.000 0.224 8 S C 1.589 175.881 174.600 -0.514 0.000 0.996 8 S CA 0.574 58.563 58.200 -0.351 0.000 0.927 8 S CB -0.072 63.002 63.200 -0.210 0.000 0.774 8 S HN 1.507 nan 8.310 nan 0.000 0.524 9 G N 0.429 108.581 108.800 -1.079 0.000 2.213 9 G HA2 -0.102 3.859 3.960 0.002 0.000 0.236 9 G HA3 -0.102 3.859 3.960 0.002 0.000 0.236 9 G C 0.525 175.175 174.900 -0.416 0.000 0.991 9 G CA -0.049 44.532 45.100 -0.865 0.000 0.629 9 G HN 1.013 nan 8.290 nan 0.000 0.517 10 G N -0.518 108.090 108.800 -0.319 0.000 2.570 10 G HA2 0.528 4.489 3.960 0.002 0.000 0.276 10 G HA3 0.528 4.489 3.960 0.002 0.000 0.276 10 G C 1.248 176.114 174.900 -0.057 0.000 1.346 10 G CA 0.271 45.291 45.100 -0.134 0.000 1.034 10 G HN 0.923 nan 8.290 nan 0.000 0.512 11 L N -0.683 120.538 121.223 -0.004 0.000 2.005 11 L HA -0.010 4.331 4.340 0.002 0.000 0.207 11 L C 2.245 179.159 176.870 0.073 0.000 1.072 11 L CA 2.368 57.227 54.840 0.033 0.000 0.744 11 L CB -0.670 41.399 42.059 0.017 0.000 0.895 11 L HN 0.465 nan 8.230 nan 0.000 0.433 12 D N -0.669 119.792 120.400 0.101 0.000 2.097 12 D HA -0.177 4.464 4.640 0.002 0.000 0.195 12 D C 2.192 178.624 176.300 0.219 0.000 0.989 12 D CA 2.127 56.240 54.000 0.189 0.000 0.827 12 D CB -0.550 40.450 40.800 0.332 0.000 0.966 12 D HN 0.573 nan 8.370 nan 0.000 0.456 13 T N -1.877 112.770 114.554 0.155 0.000 2.962 13 T HA -0.030 4.321 4.350 0.002 0.000 0.270 13 T C 2.099 177.014 174.700 0.359 0.000 1.088 13 T CA 1.103 63.323 62.100 0.199 0.000 1.127 13 T CB -0.176 68.716 68.868 0.040 0.000 0.883 13 T HN -0.099 nan 8.240 nan 0.000 0.493 14 S N 1.360 117.252 115.700 0.321 0.000 2.357 14 S HA 0.158 4.629 4.470 0.002 0.000 0.221 14 S C 1.944 176.709 174.600 0.275 0.000 1.031 14 S CA 0.783 59.217 58.200 0.389 0.000 0.982 14 S CB -0.423 62.940 63.200 0.272 0.000 0.853 14 S HN 0.452 nan 8.310 nan 0.000 0.458 15 I N 1.432 122.146 120.570 0.240 0.000 2.208 15 I HA -0.204 3.967 4.170 0.002 0.000 0.245 15 I C 2.021 178.383 176.117 0.409 0.000 1.097 15 I CA 1.225 62.699 61.300 0.291 0.000 1.363 15 I CB -0.314 37.770 38.000 0.141 0.000 1.051 15 I HN 0.259 nan 8.210 nan 0.000 0.413 16 I N 0.200 121.000 120.570 0.383 0.000 2.226 16 I HA -0.324 3.847 4.170 0.002 0.000 0.245 16 I C 2.533 178.885 176.117 0.391 0.000 1.100 16 I CA 1.337 62.885 61.300 0.414 0.000 1.374 16 I CB -0.210 37.946 38.000 0.260 0.000 1.057 16 I HN 0.277 nan 8.210 nan 0.000 0.413 17 L N 0.681 122.081 121.223 0.295 0.000 2.012 17 L HA -0.258 4.082 4.340 0.002 0.000 0.210 17 L C 2.707 179.693 176.870 0.193 0.000 1.073 17 L CA 1.638 56.592 54.840 0.191 0.000 0.748 17 L CB -0.304 41.806 42.059 0.086 0.000 0.891 17 L HN 0.145 nan 8.230 nan 0.000 0.431 18 K N -0.733 119.791 120.400 0.206 0.000 2.026 18 K HA -0.261 4.060 4.320 0.002 0.000 0.208 18 K C 1.742 178.490 176.600 0.247 0.000 1.048 18 K CA 1.919 58.294 56.287 0.147 0.000 0.929 18 K CB -0.835 31.645 32.500 -0.033 0.000 0.713 18 K HN 0.498 nan 8.250 nan 0.000 0.439 19 W N 2.102 123.537 121.300 0.226 0.000 2.318 19 W HA -0.195 4.466 4.660 0.001 0.000 0.313 19 W C 1.843 178.474 176.519 0.187 0.000 1.221 19 W CA 1.502 58.976 57.345 0.216 0.000 1.266 19 W CB -0.361 29.245 29.460 0.244 0.000 1.150 19 W HN -0.038 nan 8.180 nan 0.000 0.496 20 L N 0.551 122.014 121.223 0.400 0.000 2.017 20 L HA -0.268 4.073 4.340 0.002 0.000 0.208 20 L C 2.686 179.610 176.870 0.091 0.000 1.073 20 L CA 1.644 56.630 54.840 0.243 0.000 0.745 20 L CB -0.965 41.229 42.059 0.226 0.000 0.894 20 L HN -0.068 nan 8.230 nan 0.000 0.432 21 K N 0.024 120.470 120.400 0.076 0.000 2.009 21 K HA -0.276 4.044 4.320 0.002 0.000 0.210 21 K C 2.013 178.610 176.600 -0.005 0.000 1.049 21 K CA 2.004 58.316 56.287 0.040 0.000 0.929 21 K CB -0.258 32.269 32.500 0.045 0.000 0.714 21 K HN 0.372 nan 8.250 nan 0.000 0.440 22 E N 0.395 120.569 120.200 -0.043 0.000 2.072 22 E HA -0.108 4.243 4.350 0.002 0.000 0.190 22 E C 1.765 178.232 176.600 -0.222 0.000 0.982 22 E CA 1.279 57.623 56.400 -0.094 0.000 0.803 22 E CB 0.158 29.831 29.700 -0.045 0.000 0.755 22 E HN 0.156 nan 8.360 nan 0.000 0.453 23 T N -0.368 113.932 114.554 -0.424 0.000 2.777 23 T HA -0.136 4.215 4.350 0.002 0.000 0.266 23 T C 0.816 175.186 174.700 -0.551 0.000 1.040 23 T CA 1.271 62.978 62.100 -0.655 0.000 1.141 23 T CB -0.238 67.821 68.868 -1.348 0.000 0.868 23 T HN 0.280 nan 8.240 nan 0.000 0.444 24 Y N 0.527 120.659 120.300 -0.280 0.000 2.458 24 Y HA 0.379 4.930 4.550 0.002 0.000 0.256 24 Y C 0.650 176.491 175.900 -0.098 0.000 1.159 24 Y CA -0.728 57.281 58.100 -0.152 0.000 1.261 24 Y CB -0.067 38.331 38.460 -0.102 0.000 1.119 24 Y HN 0.008 nan 8.280 nan 0.000 0.524 25 R N -0.004 120.492 120.500 -0.006 0.000 3.188 25 R HA -0.130 4.211 4.340 0.002 0.000 0.247 25 R C -0.377 175.941 176.300 0.030 0.000 0.918 25 R CA 0.539 56.636 56.100 -0.005 0.000 0.629 25 R CB -1.870 28.415 30.300 -0.026 0.000 1.087 25 R HN 0.263 nan 8.270 nan 0.000 0.462 26 A N 0.620 123.467 122.820 0.045 0.000 2.569 26 A HA 0.590 4.911 4.320 0.002 0.000 0.290 26 A C -0.460 177.138 177.584 0.023 0.000 1.136 26 A CA -0.964 51.096 52.037 0.039 0.000 0.710 26 A CB 1.222 20.255 19.000 0.055 0.000 1.303 26 A HN 0.357 nan 8.150 nan 0.000 0.413 27 E N 0.347 120.555 120.200 0.012 0.000 2.266 27 E HA 0.591 4.942 4.350 0.002 0.000 0.277 27 E C -1.151 175.448 176.600 -0.000 0.000 1.018 27 E CA -0.738 55.665 56.400 0.005 0.000 0.840 27 E CB 1.612 31.312 29.700 0.001 0.000 1.082 27 E HN 0.216 nan 8.360 nan 0.000 0.395 28 V N 3.852 123.763 119.914 -0.004 0.000 2.398 28 V HA 0.263 4.384 4.120 0.002 0.000 0.286 28 V C -0.370 175.711 176.094 -0.023 0.000 1.026 28 V CA -0.791 61.502 62.300 -0.011 0.000 0.868 28 V CB 1.035 32.855 31.823 -0.006 0.000 0.982 28 V HN 0.619 nan 8.190 nan 0.000 0.443 29 I N 4.566 125.128 120.570 -0.013 0.000 2.307 29 I HA 0.562 4.733 4.170 0.002 0.000 0.289 29 I C 0.670 176.795 176.117 0.014 0.000 1.021 29 I CA 0.217 61.516 61.300 -0.003 0.000 1.224 29 I CB 1.453 39.459 38.000 0.009 0.000 1.376 29 I HN 0.695 nan 8.210 nan 0.000 0.470 30 A N 6.584 129.394 122.820 -0.016 0.000 2.327 30 A HA 0.636 4.957 4.320 0.002 0.000 0.283 30 A C -0.891 176.778 177.584 0.142 0.000 1.127 30 A CA -0.181 51.854 52.037 -0.003 0.000 0.810 30 A CB 0.259 19.110 19.000 -0.249 0.000 1.066 30 A HN 0.551 nan 8.150 nan 0.000 0.492 31 F N 2.032 122.008 119.950 0.043 0.000 2.539 31 F HA 0.556 5.084 4.527 0.002 0.000 0.328 31 F C -0.429 175.408 175.800 0.062 0.000 1.148 31 F CA -0.207 57.815 58.000 0.037 0.000 0.940 31 F CB 1.885 40.893 39.000 0.013 0.000 1.194 31 F HN 0.420 nan 8.300 nan 0.000 0.438 32 T N 5.822 119.987 114.554 -0.647 0.000 2.779 32 T HA 0.774 5.125 4.350 0.002 0.000 0.280 32 T C -0.456 173.687 174.700 -0.929 0.000 0.987 32 T CA -0.488 61.251 62.100 -0.603 0.000 0.966 32 T CB 1.265 70.006 68.868 -0.211 0.000 0.933 32 T HN 0.778 nan 8.240 nan 0.000 0.442 33 A N 2.491 124.812 122.820 -0.831 0.000 2.317 33 A HA 0.605 4.926 4.320 0.002 0.000 0.327 33 A C -0.298 177.093 177.584 -0.322 0.000 1.178 33 A CA -0.713 50.971 52.037 -0.589 0.000 0.817 33 A CB 0.636 19.385 19.000 -0.417 0.000 1.189 33 A HN 0.712 nan 8.150 nan 0.000 0.489 34 D N 2.684 122.948 120.400 -0.227 0.000 2.396 34 D HA 0.353 4.994 4.640 0.002 0.000 0.225 34 D C 0.345 176.554 176.300 -0.151 0.000 1.121 34 D CA -0.206 53.700 54.000 -0.157 0.000 0.853 34 D CB 0.466 41.206 40.800 -0.100 0.000 1.043 34 D HN 0.478 nan 8.370 nan 0.000 0.500 35 I N 0.609 121.064 120.570 -0.192 0.000 3.833 35 I HA 0.473 4.644 4.170 0.002 0.000 0.328 35 I C 0.909 176.939 176.117 -0.145 0.000 1.554 35 I CA -0.680 60.466 61.300 -0.256 0.000 1.116 35 I CB 0.440 38.096 38.000 -0.572 0.000 1.182 35 I HN 0.440 nan 8.210 nan 0.000 0.459 36 G N 2.152 110.911 108.800 -0.068 0.000 2.140 36 G HA2 -0.253 3.707 3.960 0.002 0.000 0.211 36 G HA3 -0.253 3.707 3.960 0.002 0.000 0.211 36 G C 0.364 175.254 174.900 -0.017 0.000 1.013 36 G CA 0.344 45.439 45.100 -0.008 0.000 0.705 36 G HN 0.530 nan 8.290 nan 0.000 0.508 37 Q N -0.219 119.548 119.800 -0.055 0.000 2.436 37 Q HA 0.393 4.734 4.340 0.002 0.000 0.209 37 Q C 1.937 177.920 176.000 -0.028 0.000 0.965 37 Q CA 1.403 57.176 55.803 -0.050 0.000 0.910 37 Q CB 0.109 28.799 28.738 -0.081 0.000 0.980 37 Q HN 1.848 nan 8.270 nan 0.000 0.491 38 G N 0.137 108.925 108.800 -0.021 0.000 2.303 38 G HA2 -0.245 3.716 3.960 0.002 0.000 0.260 38 G HA3 -0.245 3.716 3.960 0.002 0.000 0.260 38 G C -0.548 174.341 174.900 -0.018 0.000 1.106 38 G CA 0.107 45.201 45.100 -0.009 0.000 0.900 38 G HN 0.282 nan 8.290 nan 0.000 0.495 39 E N -1.247 118.935 120.200 -0.030 0.000 2.433 39 E HA 0.496 4.847 4.350 0.002 0.000 0.278 39 E C -0.821 175.758 176.600 -0.035 0.000 0.976 39 E CA -1.050 55.329 56.400 -0.034 0.000 0.793 39 E CB 1.252 30.923 29.700 -0.048 0.000 1.311 39 E HN 0.079 nan 8.360 nan 0.000 0.460 40 E N 1.241 121.424 120.200 -0.028 0.000 2.052 40 E HA 0.082 4.433 4.350 0.002 0.000 0.283 40 E C 0.524 177.105 176.600 -0.032 0.000 1.071 40 E CA -0.121 56.264 56.400 -0.025 0.000 0.851 40 E CB 0.839 30.531 29.700 -0.013 0.000 1.066 40 E HN 0.444 nan 8.360 nan 0.000 0.396 41 V N 2.305 122.193 119.914 -0.044 0.000 2.759 41 V HA -0.097 4.024 4.120 0.002 0.000 0.256 41 V C 1.437 177.516 176.094 -0.027 0.000 1.080 41 V CA 1.108 63.374 62.300 -0.056 0.000 1.101 41 V CB -0.341 31.428 31.823 -0.090 0.000 0.698 41 V HN 0.434 nan 8.190 nan 0.000 0.477 42 E N 0.998 121.189 120.200 -0.015 0.000 2.204 42 E HA -0.139 4.212 4.350 0.002 0.000 0.194 42 E C 2.209 178.816 176.600 0.012 0.000 0.989 42 E CA 1.367 57.767 56.400 0.000 0.000 0.824 42 E CB -0.100 29.601 29.700 0.001 0.000 0.756 42 E HN 0.804 nan 8.360 nan 0.000 0.477 43 E N 0.515 120.720 120.200 0.009 0.000 2.152 43 E HA -0.057 4.293 4.350 0.002 0.000 0.192 43 E C 1.985 178.613 176.600 0.047 0.000 0.983 43 E CA 0.786 57.197 56.400 0.020 0.000 0.818 43 E CB 0.018 29.723 29.700 0.008 0.000 0.758 43 E HN 0.154 nan 8.360 nan 0.000 0.467 44 A N 1.651 124.499 122.820 0.047 0.000 1.897 44 A HA -0.142 4.179 4.320 0.002 0.000 0.215 44 A C 2.114 179.822 177.584 0.207 0.000 1.181 44 A CA 1.009 53.121 52.037 0.124 0.000 0.620 44 A CB -0.340 18.680 19.000 0.034 0.000 0.821 44 A HN 0.033 nan 8.150 nan 0.000 0.443 45 R N -0.133 120.425 120.500 0.097 0.000 2.083 45 R HA -0.182 4.159 4.340 0.002 0.000 0.237 45 R C 2.046 178.367 176.300 0.034 0.000 1.137 45 R CA 1.968 58.102 56.100 0.057 0.000 0.951 45 R CB -0.267 30.048 30.300 0.024 0.000 0.851 45 R HN 0.689 nan 8.270 nan 0.000 0.434 46 E N -0.036 120.187 120.200 0.037 0.000 2.072 46 E HA -0.206 4.145 4.350 0.002 0.000 0.191 46 E C 1.969 178.587 176.600 0.031 0.000 0.985 46 E CA 1.144 57.559 56.400 0.025 0.000 0.801 46 E CB 0.015 29.729 29.700 0.023 0.000 0.750 46 E HN 0.239 nan 8.360 nan 0.000 0.452 47 K N 0.659 121.102 120.400 0.072 0.000 2.148 47 K HA -0.112 4.209 4.320 0.002 0.000 0.204 47 K C 2.065 178.697 176.600 0.053 0.000 1.050 47 K CA 0.992 57.336 56.287 0.096 0.000 0.942 47 K CB -0.040 32.559 32.500 0.165 0.000 0.724 47 K HN 0.077 nan 8.250 nan 0.000 0.446 48 A N 1.370 124.170 122.820 -0.032 0.000 1.902 48 A HA -0.132 4.189 4.320 0.002 0.000 0.217 48 A C 2.078 179.546 177.584 -0.194 0.000 1.181 48 A CA 1.254 53.065 52.037 -0.377 0.000 0.623 48 A CB -0.577 18.086 19.000 -0.561 0.000 0.818 48 A HN 0.307 nan 8.150 nan 0.000 0.443 49 L N -1.200 119.966 121.223 -0.096 0.000 2.046 49 L HA -0.174 4.167 4.340 0.002 0.000 0.208 49 L C 2.850 179.699 176.870 -0.035 0.000 1.077 49 L CA 1.403 56.209 54.840 -0.056 0.000 0.747 49 L CB -0.472 41.570 42.059 -0.029 0.000 0.896 49 L HN 0.353 nan 8.230 nan 0.000 0.432 50 R N -0.745 119.745 120.500 -0.017 0.000 2.148 50 R HA -0.097 4.244 4.340 0.002 0.000 0.227 50 R C 2.060 178.362 176.300 0.003 0.000 1.103 50 R CA 1.593 57.694 56.100 0.000 0.000 0.983 50 R CB -0.384 29.925 30.300 0.015 0.000 0.874 50 R HN 0.323 nan 8.270 nan 0.000 0.451 51 T N -1.234 113.315 114.554 -0.008 0.000 3.055 51 T HA 0.071 4.422 4.350 0.002 0.000 0.265 51 T C 1.159 175.857 174.700 -0.004 0.000 1.111 51 T CA 1.159 63.263 62.100 0.006 0.000 1.118 51 T CB 0.544 69.420 68.868 0.012 0.000 0.909 51 T HN 0.588 nan 8.240 nan 0.000 0.501 52 G N 0.762 109.545 108.800 -0.028 0.000 2.227 52 G HA2 0.081 4.042 3.960 0.002 0.000 0.168 52 G HA3 0.081 4.042 3.960 0.002 0.000 0.168 52 G C 0.193 175.072 174.900 -0.036 0.000 1.006 52 G CA -0.319 44.770 45.100 -0.018 0.000 0.684 52 G HN 0.743 nan 8.290 nan 0.000 0.489 53 A N 0.982 123.756 122.820 -0.076 0.000 2.477 53 A HA 0.633 4.953 4.320 0.002 0.000 0.246 53 A C 1.748 179.305 177.584 -0.045 0.000 1.078 53 A CA 1.221 53.210 52.037 -0.079 0.000 0.770 53 A CB 0.444 19.360 19.000 -0.140 0.000 1.011 53 A HN 1.627 nan 8.150 nan 0.000 0.494 54 S N 1.122 116.805 115.700 -0.029 0.000 2.481 54 S HA 0.065 4.536 4.470 0.002 0.000 0.231 54 S C 0.534 175.125 174.600 -0.015 0.000 0.996 54 S CA 1.096 59.286 58.200 -0.016 0.000 0.942 54 S CB -0.190 63.005 63.200 -0.009 0.000 0.768 54 S HN 0.805 nan 8.310 nan 0.000 0.520 55 K N -0.299 120.089 120.400 -0.020 0.000 2.572 55 K HA 0.585 4.906 4.320 0.002 0.000 0.263 55 K C -2.206 174.386 176.600 -0.013 0.000 0.932 55 K CA -0.397 55.885 56.287 -0.009 0.000 0.838 55 K CB 1.721 34.224 32.500 0.004 0.000 1.366 55 K HN 0.139 nan 8.250 nan 0.000 0.425 56 A N 4.874 127.691 122.820 -0.004 0.000 2.343 56 A HA 0.709 5.030 4.320 0.002 0.000 0.308 56 A C -1.123 176.487 177.584 0.043 0.000 1.092 56 A CA -0.737 51.300 52.037 -0.000 0.000 0.751 56 A CB 0.526 19.506 19.000 -0.034 0.000 1.203 56 A HN 0.613 nan 8.150 nan 0.000 0.452 57 I N 1.633 122.260 120.570 0.096 0.000 2.474 57 I HA 0.677 4.848 4.170 0.002 0.000 0.294 57 I C 0.273 176.461 176.117 0.118 0.000 1.005 57 I CA -0.488 60.899 61.300 0.145 0.000 1.113 57 I CB 2.260 40.405 38.000 0.242 0.000 1.289 57 I HN 0.729 nan 8.210 nan 0.000 0.436 58 A N 7.420 130.278 122.820 0.064 0.000 2.381 58 A HA 0.886 5.207 4.320 0.002 0.000 0.299 58 A C -1.202 176.385 177.584 0.004 0.000 1.049 58 A CA -0.400 51.612 52.037 -0.041 0.000 0.715 58 A CB 1.133 20.106 19.000 -0.045 0.000 1.222 58 A HN 0.646 nan 8.150 nan 0.000 0.428 59 L N 1.377 122.579 121.223 -0.034 0.000 2.370 59 L HA 0.459 4.800 4.340 0.002 0.000 0.266 59 L C -0.911 175.929 176.870 -0.050 0.000 1.002 59 L CA -0.968 53.878 54.840 0.010 0.000 0.818 59 L CB 2.301 44.416 42.059 0.093 0.000 1.325 59 L HN 0.723 nan 8.230 nan 0.000 0.418 60 D N 2.898 123.287 120.400 -0.020 0.000 2.365 60 D HA 0.268 4.909 4.640 0.002 0.000 0.237 60 D C 0.085 176.380 176.300 -0.008 0.000 1.190 60 D CA 0.044 54.031 54.000 -0.022 0.000 0.867 60 D CB 0.896 41.696 40.800 0.000 0.000 1.050 60 D HN 0.398 nan 8.370 nan 0.000 0.491 61 L N 3.525 124.730 121.223 -0.030 0.000 2.910 61 L HA 0.224 4.565 4.340 0.002 0.000 0.252 61 L C 1.931 178.844 176.870 0.073 0.000 1.195 61 L CA -0.306 54.540 54.840 0.010 0.000 1.003 61 L CB 0.213 42.238 42.059 -0.056 0.000 1.328 61 L HN 0.178 nan 8.230 nan 0.000 0.540 62 K N 0.499 120.936 120.400 0.061 0.000 2.063 62 K HA -0.156 4.165 4.320 0.002 0.000 0.208 62 K C 1.953 178.626 176.600 0.121 0.000 1.048 62 K CA 1.297 57.654 56.287 0.117 0.000 0.928 62 K CB 0.192 32.734 32.500 0.070 0.000 0.713 62 K HN 0.197 nan 8.250 nan 0.000 0.442 63 E N 0.435 120.677 120.200 0.071 0.000 2.072 63 E HA -0.209 4.142 4.350 0.002 0.000 0.191 63 E C 1.967 178.599 176.600 0.055 0.000 0.985 63 E CA 1.008 57.425 56.400 0.029 0.000 0.801 63 E CB -0.029 29.688 29.700 0.028 0.000 0.750 63 E HN 0.394 nan 8.360 nan 0.000 0.452 64 E N -0.031 120.253 120.200 0.140 0.000 2.110 64 E HA -0.188 4.163 4.350 0.002 0.000 0.193 64 E C 1.986 178.793 176.600 0.345 0.000 0.988 64 E CA 0.638 57.178 56.400 0.234 0.000 0.804 64 E CB -0.181 29.704 29.700 0.308 0.000 0.745 64 E HN 0.104 nan 8.360 nan 0.000 0.458 65 F N 1.217 121.229 119.950 0.103 0.000 2.046 65 F HA -0.227 4.301 4.527 0.001 0.000 0.297 65 F C 2.021 177.856 175.800 0.058 0.000 1.123 65 F CA 1.620 59.650 58.000 0.051 0.000 1.199 65 F CB -0.814 38.139 39.000 -0.078 0.000 0.972 65 F HN -0.101 nan 8.300 nan 0.000 0.474 66 V N 1.190 120.910 119.914 -0.323 0.000 2.358 66 V HA -0.242 3.879 4.120 0.002 0.000 0.246 66 V C 2.659 178.346 176.094 -0.678 0.000 1.047 66 V CA 2.209 64.134 62.300 -0.626 0.000 1.035 66 V CB -0.893 30.597 31.823 -0.555 0.000 0.658 66 V HN 0.338 nan 8.190 nan 0.000 0.452 67 R N 0.188 120.424 120.500 -0.439 0.000 2.062 67 R HA -0.154 4.187 4.340 0.002 0.000 0.231 67 R C 1.731 177.982 176.300 -0.082 0.000 1.136 67 R CA 2.023 57.930 56.100 -0.323 0.000 0.948 67 R CB -0.181 30.043 30.300 -0.128 0.000 0.845 67 R HN 0.478 nan 8.270 nan 0.000 0.430 68 D N -1.367 119.046 120.400 0.022 0.000 2.350 68 D HA 0.028 4.669 4.640 0.002 0.000 0.213 68 D C 0.684 176.787 176.300 -0.329 0.000 1.031 68 D CA 0.649 54.609 54.000 -0.067 0.000 0.861 68 D CB 0.369 41.136 40.800 -0.056 0.000 0.926 68 D HN 0.209 nan 8.370 nan 0.000 0.520 69 F N -0.846 119.077 119.950 -0.044 0.000 2.421 69 F HA 0.077 4.605 4.527 0.002 0.000 0.270 69 F C 2.167 177.818 175.800 -0.248 0.000 0.894 69 F CA -0.054 57.825 58.000 -0.202 0.000 1.128 69 F CB -0.454 38.363 39.000 -0.305 0.000 1.011 69 F HN -0.258 nan 8.300 nan 0.000 0.788 70 V N 0.611 120.409 119.914 -0.193 0.000 2.261 70 V HA -0.262 3.859 4.120 0.002 0.000 0.246 70 V C 2.253 178.418 176.094 0.119 0.000 1.047 70 V CA 1.767 63.947 62.300 -0.200 0.000 1.015 70 V CB -0.660 30.889 31.823 -0.455 0.000 0.642 70 V HN 0.145 nan 8.190 nan 0.000 0.446 71 F N 0.273 120.173 119.950 -0.084 0.000 2.069 71 F HA -0.050 4.477 4.527 0.001 0.000 0.298 71 F C 0.247 176.061 175.800 0.022 0.000 1.113 71 F CA 1.151 59.137 58.000 -0.023 0.000 1.214 71 F CB -2.632 36.362 39.000 -0.010 0.000 0.978 71 F HN 0.265 nan 8.300 nan 0.000 0.474 72 P HA -0.227 nan 4.420 nan 0.000 0.216 72 P C 2.156 179.602 177.300 0.242 0.000 1.153 72 P CA 1.755 65.001 63.100 0.243 0.000 0.858 72 P CB -0.233 31.656 31.700 0.315 0.000 0.789 73 M N -1.669 118.122 119.600 0.320 0.000 2.132 73 M HA -0.152 4.329 4.480 0.002 0.000 0.263 73 M C 1.898 178.219 176.300 0.037 0.000 1.065 73 M CA 2.004 57.496 55.300 0.320 0.000 1.122 73 M CB -0.451 32.304 32.600 0.259 0.000 1.365 73 M HN -0.156 nan 8.290 nan 0.000 0.411 74 M N -0.507 119.110 119.600 0.028 0.000 2.213 74 M HA -0.172 4.309 4.480 0.002 0.000 0.263 74 M C 2.103 178.318 176.300 -0.141 0.000 1.062 74 M CA 1.558 56.834 55.300 -0.040 0.000 1.105 74 M CB -0.514 32.088 32.600 0.004 0.000 1.385 74 M HN 0.284 nan 8.290 nan 0.000 0.417 75 R N 0.287 120.707 120.500 -0.133 0.000 2.127 75 R HA -0.087 4.254 4.340 0.002 0.000 0.238 75 R C 2.105 178.204 176.300 -0.335 0.000 1.134 75 R CA 1.414 57.408 56.100 -0.177 0.000 0.975 75 R CB -0.368 29.879 30.300 -0.090 0.000 0.865 75 R HN 0.368 nan 8.270 nan 0.000 0.447 76 A N -0.070 122.388 122.820 -0.603 0.000 2.208 76 A HA 0.174 4.495 4.320 0.002 0.000 0.209 76 A C 1.349 178.401 177.584 -0.888 0.000 1.161 76 A CA 0.713 51.942 52.037 -1.346 0.000 0.782 76 A CB -0.074 17.523 19.000 -2.337 0.000 0.816 76 A HN 0.426 nan 8.150 nan 0.000 0.477 77 G N -1.160 107.370 108.800 -0.450 0.000 2.221 77 G HA2 0.051 4.012 3.960 0.002 0.000 0.265 77 G HA3 0.051 4.012 3.960 0.002 0.000 0.265 77 G C 0.390 175.221 174.900 -0.114 0.000 1.041 77 G CA 0.383 45.342 45.100 -0.235 0.000 0.807 77 G HN 1.630 nan 8.290 nan 0.000 0.502 78 A N -0.524 122.212 122.820 -0.139 0.000 2.515 78 A HA 0.551 4.872 4.320 0.002 0.000 0.263 78 A C 0.427 178.020 177.584 0.015 0.000 1.096 78 A CA 0.816 52.855 52.037 0.004 0.000 0.769 78 A CB 0.590 19.695 19.000 0.175 0.000 1.040 78 A HN 1.352 nan 8.150 nan 0.000 0.505 79 V N 4.084 124.006 119.914 0.012 0.000 2.612 79 V HA 0.196 4.317 4.120 0.002 0.000 0.301 79 V C -0.991 175.109 176.094 0.010 0.000 1.059 79 V CA -0.544 61.733 62.300 -0.039 0.000 0.886 79 V CB 1.414 33.169 31.823 -0.113 0.000 1.007 79 V HN 0.790 nan 8.190 nan 0.000 0.426 80 Y N 3.773 124.007 120.300 -0.109 0.000 2.336 80 Y HA 0.345 4.896 4.550 0.002 0.000 0.335 80 Y C 1.150 177.001 175.900 -0.081 0.000 1.046 80 Y CA -0.458 57.575 58.100 -0.112 0.000 1.198 80 Y CB 0.550 38.931 38.460 -0.133 0.000 1.182 80 Y HN 0.879 nan 8.280 nan 0.000 0.502 81 E N 4.222 124.046 120.200 -0.625 0.000 2.199 81 E HA -0.313 4.038 4.350 0.002 0.000 0.208 81 E C 1.173 177.639 176.600 -0.223 0.000 1.310 81 E CA 0.672 56.791 56.400 -0.469 0.000 0.709 81 E CB -1.529 27.815 29.700 -0.594 0.000 1.127 81 E HN 1.198 nan 8.360 nan 0.000 0.354 82 G N -1.169 107.462 108.800 -0.281 0.000 2.328 82 G HA2 -0.416 3.545 3.960 0.002 0.000 0.256 82 G HA3 -0.416 3.545 3.960 0.002 0.000 0.256 82 G C 0.549 175.016 174.900 -0.721 0.000 1.014 82 G CA 1.031 45.818 45.100 -0.523 0.000 0.620 82 G HN 0.466 nan 8.290 nan 0.000 0.530 83 Y N -2.561 117.707 120.300 -0.052 0.000 2.450 83 Y HA 0.387 4.938 4.550 0.002 0.000 0.279 83 Y C 0.779 176.695 175.900 0.027 0.000 1.106 83 Y CA -0.510 57.572 58.100 -0.029 0.000 1.143 83 Y CB 0.260 38.731 38.460 0.019 0.000 1.328 83 Y HN 0.187 nan 8.280 nan 0.000 0.553 84 Y N 3.229 123.556 120.300 0.045 0.000 2.587 84 Y HA 0.190 4.741 4.550 0.002 0.000 0.344 84 Y C 0.660 176.515 175.900 -0.076 0.000 1.061 84 Y CA -0.868 57.185 58.100 -0.079 0.000 1.370 84 Y CB 0.346 38.747 38.460 -0.098 0.000 1.163 84 Y HN 0.137 nan 8.280 nan 0.000 0.527 85 L N 7.294 128.353 121.223 -0.274 0.000 2.675 85 L HA -0.021 4.320 4.340 0.002 0.000 0.239 85 L C 0.722 177.217 176.870 -0.625 0.000 1.151 85 L CA 0.181 54.813 54.840 -0.345 0.000 0.905 85 L CB -0.476 41.490 42.059 -0.155 0.000 1.057 85 L HN 0.816 nan 8.230 nan 0.000 0.435 86 L N -0.714 119.632 121.223 -1.461 0.000 3.865 86 L HA -0.269 4.072 4.340 0.002 0.000 0.408 86 L C 1.801 178.224 176.870 -0.745 0.000 1.209 86 L CA 0.105 54.176 54.840 -1.282 0.000 0.940 86 L CB -2.057 39.675 42.059 -0.546 0.000 1.971 86 L HN 0.421 nan 8.230 nan 0.000 0.899 87 G N -0.594 107.722 108.800 -0.808 0.000 2.513 87 G HA2 -0.297 3.663 3.960 0.002 0.000 0.219 87 G HA3 -0.297 3.663 3.960 0.002 0.000 0.219 87 G C 1.250 175.793 174.900 -0.594 0.000 1.160 87 G CA 1.687 46.178 45.100 -1.015 0.000 0.767 87 G HN 0.427 nan 8.290 nan 0.000 0.571 88 T N 0.811 115.231 114.554 -0.224 0.000 2.937 88 T HA -0.000 4.351 4.350 0.002 0.000 0.260 88 T C 2.884 177.520 174.700 -0.107 0.000 1.051 88 T CA 1.191 63.297 62.100 0.011 0.000 1.141 88 T CB -0.208 68.782 68.868 0.203 0.000 0.879 88 T HN 0.278 nan 8.240 nan 0.000 0.459 89 S N 2.373 118.013 115.700 -0.099 0.000 2.368 89 S HA -0.159 4.312 4.470 0.002 0.000 0.226 89 S C 1.976 176.435 174.600 -0.235 0.000 1.044 89 S CA 1.676 59.767 58.200 -0.181 0.000 1.062 89 S CB -0.520 62.590 63.200 -0.150 0.000 0.931 89 S HN 0.610 nan 8.310 nan 0.000 0.440 90 I N 1.142 121.576 120.570 -0.228 0.000 3.001 90 I HA 0.185 4.356 4.170 0.002 0.000 0.268 90 I C 2.019 178.026 176.117 -0.184 0.000 1.267 90 I CA 0.372 61.505 61.300 -0.279 0.000 1.472 90 I CB -0.958 36.896 38.000 -0.243 0.000 1.089 90 I HN 0.175 nan 8.210 nan 0.000 0.468 91 A N 1.056 123.788 122.820 -0.145 0.000 1.935 91 A HA 0.037 4.358 4.320 0.002 0.000 0.214 91 A C 2.293 179.663 177.584 -0.356 0.000 1.178 91 A CA 0.419 52.257 52.037 -0.332 0.000 0.640 91 A CB -0.250 18.458 19.000 -0.486 0.000 0.825 91 A HN 0.189 nan 8.150 nan 0.000 0.447 92 R N 0.178 120.489 120.500 -0.315 0.000 2.096 92 R HA -0.113 4.228 4.340 0.002 0.000 0.240 92 R C -0.568 175.663 176.300 -0.116 0.000 1.139 92 R CA 1.780 57.691 56.100 -0.315 0.000 0.952 92 R CB -2.416 27.489 30.300 -0.658 0.000 0.854 92 R HN 0.379 nan 8.270 nan 0.000 0.436 93 P HA -0.126 nan 4.420 nan 0.000 0.216 93 P C 1.672 179.050 177.300 0.130 0.000 1.150 93 P CA 0.814 63.961 63.100 0.080 0.000 0.837 93 P CB -0.092 31.605 31.700 -0.004 0.000 0.786 94 L N -0.725 120.281 121.223 -0.362 0.000 1.989 94 L HA -0.187 4.154 4.340 0.002 0.000 0.211 94 L C 2.184 179.102 176.870 0.081 0.000 1.071 94 L CA 2.035 56.608 54.840 -0.446 0.000 0.749 94 L CB -0.777 40.727 42.059 -0.925 0.000 0.890 94 L HN -0.060 nan 8.230 nan 0.000 0.431 95 I N 0.122 120.744 120.570 0.088 0.000 2.179 95 I HA -0.284 3.887 4.170 0.002 0.000 0.242 95 I C 2.807 179.081 176.117 0.261 0.000 1.088 95 I CA 1.261 62.724 61.300 0.271 0.000 1.357 95 I CB -0.551 37.616 38.000 0.279 0.000 1.051 95 I HN 0.304 nan 8.210 nan 0.000 0.409 96 A N 0.662 123.640 122.820 0.265 0.000 1.972 96 A HA -0.256 4.065 4.320 0.002 0.000 0.219 96 A C 2.396 180.041 177.584 0.103 0.000 1.169 96 A CA 1.844 53.992 52.037 0.185 0.000 0.635 96 A CB -0.541 18.631 19.000 0.285 0.000 0.810 96 A HN 0.394 nan 8.150 nan 0.000 0.446 97 K N -1.058 119.434 120.400 0.153 0.000 2.032 97 K HA -0.247 4.074 4.320 0.002 0.000 0.209 97 K C 1.862 178.383 176.600 -0.132 0.000 1.048 97 K CA 1.961 58.265 56.287 0.029 0.000 0.927 97 K CB -0.324 32.266 32.500 0.150 0.000 0.712 97 K HN 0.629 nan 8.250 nan 0.000 0.441 98 H N 0.403 119.415 119.070 -0.097 0.000 2.389 98 H HA -0.012 4.545 4.556 0.002 0.000 0.299 98 H C 1.958 177.008 175.328 -0.464 0.000 1.081 98 H CA 1.552 57.401 56.048 -0.331 0.000 1.345 98 H CB 0.024 29.456 29.762 -0.550 0.000 1.393 98 H HN 0.105 nan 8.280 nan 0.000 0.520 99 L N -0.368 120.712 121.223 -0.239 0.000 2.042 99 L HA -0.192 4.149 4.340 0.002 0.000 0.210 99 L C 2.131 178.912 176.870 -0.149 0.000 1.076 99 L CA 0.959 55.681 54.840 -0.196 0.000 0.749 99 L CB -0.343 41.666 42.059 -0.082 0.000 0.893 99 L HN 0.208 nan 8.230 nan 0.000 0.432 100 V N -0.370 119.472 119.914 -0.120 0.000 2.548 100 V HA -0.236 3.885 4.120 0.002 0.000 0.249 100 V C 2.605 178.632 176.094 -0.112 0.000 1.055 100 V CA 1.648 63.887 62.300 -0.101 0.000 1.065 100 V CB -0.646 31.126 31.823 -0.086 0.000 0.681 100 V HN 0.462 nan 8.190 nan 0.000 0.462 101 R N 0.269 120.680 120.500 -0.149 0.000 2.075 101 R HA -0.089 4.252 4.340 0.002 0.000 0.232 101 R C 2.257 178.488 176.300 -0.114 0.000 1.126 101 R CA 1.688 57.706 56.100 -0.137 0.000 0.963 101 R CB -0.276 29.914 30.300 -0.183 0.000 0.858 101 R HN 0.439 nan 8.270 nan 0.000 0.435 102 I N 1.060 121.542 120.570 -0.148 0.000 2.286 102 I HA -0.210 3.960 4.170 0.002 0.000 0.248 102 I C 2.579 178.650 176.117 -0.077 0.000 1.115 102 I CA 1.155 62.385 61.300 -0.118 0.000 1.392 102 I CB -0.358 37.535 38.000 -0.177 0.000 1.065 102 I HN 0.317 nan 8.210 nan 0.000 0.418 103 A N 0.412 123.184 122.820 -0.080 0.000 1.902 103 A HA -0.232 4.089 4.320 0.002 0.000 0.217 103 A C 2.229 179.788 177.584 -0.042 0.000 1.181 103 A CA 1.717 53.721 52.037 -0.055 0.000 0.623 103 A CB -0.526 18.440 19.000 -0.056 0.000 0.818 103 A HN 0.421 nan 8.150 nan 0.000 0.443 104 E N -0.503 119.669 120.200 -0.047 0.000 2.072 104 E HA -0.164 4.187 4.350 0.002 0.000 0.191 104 E C 2.008 178.591 176.600 -0.028 0.000 0.985 104 E CA 1.195 57.575 56.400 -0.035 0.000 0.801 104 E CB -0.109 29.568 29.700 -0.039 0.000 0.750 104 E HN 0.727 nan 8.360 nan 0.000 0.452 105 E N 0.331 120.511 120.200 -0.033 0.000 2.150 105 E HA -0.145 4.205 4.350 0.002 0.000 0.193 105 E C 1.610 178.201 176.600 -0.016 0.000 0.985 105 E CA 0.669 57.055 56.400 -0.023 0.000 0.814 105 E CB 0.168 29.854 29.700 -0.023 0.000 0.752 105 E HN 0.141 nan 8.360 nan 0.000 0.466 106 E N -0.562 119.627 120.200 -0.020 0.000 2.447 106 E HA 0.041 4.392 4.350 0.002 0.000 0.195 106 E C 1.004 177.597 176.600 -0.011 0.000 1.028 106 E CA 0.555 56.947 56.400 -0.013 0.000 0.876 106 E CB 0.844 30.536 29.700 -0.014 0.000 0.885 106 E HN 0.324 nan 8.360 nan 0.000 0.500 107 G N 1.520 110.312 108.800 -0.013 0.000 2.182 107 G HA2 -0.256 3.705 3.960 0.002 0.000 0.248 107 G HA3 -0.256 3.705 3.960 0.002 0.000 0.248 107 G C 0.281 175.176 174.900 -0.010 0.000 1.042 107 G CA 0.291 45.385 45.100 -0.009 0.000 0.775 107 G HN 0.450 nan 8.290 nan 0.000 0.501 108 A N -0.036 122.774 122.820 -0.016 0.000 2.301 108 A HA 0.722 5.043 4.320 0.002 0.000 0.298 108 A C 1.155 178.728 177.584 -0.017 0.000 1.185 108 A CA 0.534 52.560 52.037 -0.018 0.000 0.830 108 A CB 0.528 19.512 19.000 -0.026 0.000 1.112 108 A HN 0.886 nan 8.150 nan 0.000 0.508 109 E N 2.175 122.368 120.200 -0.012 0.000 2.285 109 E HA 0.282 4.633 4.350 0.002 0.000 0.194 109 E C 0.563 177.155 176.600 -0.014 0.000 0.997 109 E CA 0.944 57.341 56.400 -0.004 0.000 0.845 109 E CB 0.113 29.817 29.700 0.008 0.000 0.782 109 E HN 0.660 nan 8.360 nan 0.000 0.491 110 A N 1.255 124.052 122.820 -0.038 0.000 2.479 110 A HA 0.685 5.006 4.320 0.002 0.000 0.296 110 A C -0.648 176.888 177.584 -0.081 0.000 1.121 110 A CA -1.026 50.972 52.037 -0.065 0.000 0.743 110 A CB 1.201 20.137 19.000 -0.106 0.000 1.323 110 A HN 0.361 nan 8.150 nan 0.000 0.415 111 I N -2.490 118.023 120.570 -0.096 0.000 2.934 111 I HA 0.965 5.136 4.170 0.002 0.000 0.306 111 I C -0.313 175.729 176.117 -0.125 0.000 1.110 111 I CA -1.091 60.151 61.300 -0.095 0.000 1.019 111 I CB 2.269 40.216 38.000 -0.088 0.000 1.227 111 I HN 0.934 nan 8.210 nan 0.000 0.434 112 A N 2.210 124.959 122.820 -0.119 0.000 2.556 112 A HA 0.946 5.267 4.320 0.002 0.000 0.294 112 A C -1.410 176.081 177.584 -0.154 0.000 1.091 112 A CA -0.466 51.464 52.037 -0.178 0.000 0.704 112 A CB 1.398 20.311 19.000 -0.145 0.000 1.300 112 A HN 1.156 nan 8.150 nan 0.000 0.406 113 H N -2.189 116.789 119.070 -0.153 0.000 3.008 113 H HA 0.667 5.224 4.556 0.002 0.000 0.354 113 H C 0.099 175.393 175.328 -0.055 0.000 1.252 113 H CA -0.288 55.637 56.048 -0.205 0.000 1.117 113 H CB 1.307 30.782 29.762 -0.479 0.000 1.857 113 H HN 0.804 nan 8.280 nan 0.000 0.547 114 G N -0.015 108.911 108.800 0.210 0.000 3.609 114 G HA2 0.494 4.455 3.960 0.002 0.000 0.280 114 G HA3 0.494 4.455 3.960 0.002 0.000 0.280 114 G C 0.081 175.151 174.900 0.283 0.000 1.155 114 G CA 0.025 45.298 45.100 0.289 0.000 0.876 114 G HN 0.871 nan 8.290 nan 0.000 0.535 115 A N 0.901 123.994 122.820 0.454 0.000 2.425 115 A HA 0.604 4.925 4.320 0.002 0.000 0.249 115 A C 1.056 178.572 177.584 -0.113 0.000 1.084 115 A CA 0.262 52.370 52.037 0.117 0.000 0.781 115 A CB 0.222 19.288 19.000 0.110 0.000 1.019 115 A HN 0.579 nan 8.150 nan 0.000 0.490 116 T N -0.411 113.876 114.554 -0.444 0.000 2.788 116 T HA 0.421 4.772 4.350 0.002 0.000 0.287 116 T C 1.235 175.851 174.700 -0.140 0.000 1.007 116 T CA 0.088 61.881 62.100 -0.511 0.000 1.005 116 T CB 1.075 69.523 68.868 -0.700 0.000 1.012 116 T HN 1.004 nan 8.240 nan 0.000 0.530 117 G N -0.036 108.741 108.800 -0.039 0.000 2.848 117 G HA2 0.016 3.977 3.960 0.002 0.000 0.208 117 G HA3 0.016 3.977 3.960 0.002 0.000 0.208 117 G C 1.052 175.942 174.900 -0.016 0.000 1.152 117 G CA 0.256 45.361 45.100 0.009 0.000 0.789 117 G HN 0.901 nan 8.290 nan 0.000 0.531 118 K N -0.282 120.088 120.400 -0.051 0.000 2.414 118 K HA 0.372 4.693 4.320 0.002 0.000 0.204 118 K C 0.879 177.450 176.600 -0.048 0.000 1.026 118 K CA -0.081 56.184 56.287 -0.038 0.000 1.108 118 K CB 1.020 33.506 32.500 -0.022 0.000 0.855 118 K HN 0.099 nan 8.250 nan 0.000 0.517 119 G N 0.516 109.270 108.800 -0.077 0.000 2.887 119 G HA2 0.161 4.122 3.960 0.002 0.000 0.277 119 G HA3 0.161 4.122 3.960 0.002 0.000 0.277 119 G C -0.128 174.723 174.900 -0.082 0.000 1.346 119 G CA -0.674 44.378 45.100 -0.081 0.000 1.058 119 G HN -0.012 nan 8.290 nan 0.000 0.535 120 N N -0.239 118.387 118.700 -0.124 0.000 2.402 120 N HA -0.044 4.697 4.740 0.002 0.000 0.174 120 N C 1.310 176.673 175.510 -0.245 0.000 1.027 120 N CA 0.406 53.350 53.050 -0.177 0.000 0.891 120 N CB 0.241 38.520 38.487 -0.346 0.000 1.016 120 N HN 0.416 nan 8.380 nan 0.000 0.439 121 D N 2.029 122.255 120.400 -0.291 0.000 2.149 121 D HA -0.191 4.450 4.640 0.002 0.000 0.198 121 D C 2.073 178.085 176.300 -0.479 0.000 0.990 121 D CA 0.928 54.642 54.000 -0.477 0.000 0.839 121 D CB -0.102 40.439 40.800 -0.431 0.000 0.948 121 D HN 0.579 nan 8.370 nan 0.000 0.460 122 Q N 0.640 120.299 119.800 -0.236 0.000 2.096 122 Q HA -0.121 4.220 4.340 0.002 0.000 0.204 122 Q C 2.201 178.142 176.000 -0.099 0.000 0.982 122 Q CA 1.420 57.137 55.803 -0.143 0.000 0.850 122 Q CB -0.519 28.243 28.738 0.040 0.000 0.901 122 Q HN 0.145 nan 8.270 nan 0.000 0.422 123 V N 1.250 121.105 119.914 -0.098 0.000 2.358 123 V HA -0.212 3.908 4.120 0.002 0.000 0.246 123 V C 2.413 178.429 176.094 -0.130 0.000 1.047 123 V CA 2.107 64.373 62.300 -0.056 0.000 1.035 123 V CB -0.693 31.148 31.823 0.030 0.000 0.658 123 V HN 0.315 nan 8.190 nan 0.000 0.452 124 R N -0.415 119.939 120.500 -0.244 0.000 2.073 124 R HA -0.096 4.245 4.340 0.002 0.000 0.234 124 R C 2.305 178.507 176.300 -0.163 0.000 1.134 124 R CA 1.918 57.853 56.100 -0.274 0.000 0.952 124 R CB -0.540 29.497 30.300 -0.439 0.000 0.850 124 R HN 0.455 nan 8.270 nan 0.000 0.433 125 F N 0.991 120.830 119.950 -0.185 0.000 2.102 125 F HA -0.194 4.334 4.527 0.001 0.000 0.298 125 F C 2.400 178.120 175.800 -0.134 0.000 1.105 125 F CA 1.115 59.005 58.000 -0.183 0.000 1.239 125 F CB -0.037 38.730 39.000 -0.389 0.000 0.991 125 F HN 0.106 nan 8.300 nan 0.000 0.474 126 E N 0.350 120.588 120.200 0.064 0.000 2.072 126 E HA -0.153 4.198 4.350 0.002 0.000 0.190 126 E C 2.255 178.838 176.600 -0.029 0.000 0.982 126 E CA 0.816 57.175 56.400 -0.070 0.000 0.803 126 E CB -0.208 29.507 29.700 0.026 0.000 0.755 126 E HN 0.423 nan 8.360 nan 0.000 0.453 127 L N 0.840 122.094 121.223 0.052 0.000 2.083 127 L HA -0.173 4.168 4.340 0.002 0.000 0.209 127 L C 2.512 179.462 176.870 0.132 0.000 1.083 127 L CA 1.093 55.985 54.840 0.088 0.000 0.752 127 L CB -0.458 41.529 42.059 -0.119 0.000 0.899 127 L HN 0.192 nan 8.230 nan 0.000 0.433 128 T N -0.250 114.384 114.554 0.132 0.000 2.674 128 T HA -0.166 4.185 4.350 0.002 0.000 0.265 128 T C 2.007 176.788 174.700 0.134 0.000 1.039 128 T CA 1.352 63.597 62.100 0.241 0.000 1.150 128 T CB -0.225 68.826 68.868 0.306 0.000 0.864 128 T HN 0.450 nan 8.240 nan 0.000 0.427 129 A N 0.511 123.348 122.820 0.028 0.000 1.865 129 A HA -0.131 4.190 4.320 0.002 0.000 0.217 129 A C 2.085 179.655 177.584 -0.022 0.000 1.191 129 A CA 1.655 53.649 52.037 -0.071 0.000 0.623 129 A CB -1.268 17.598 19.000 -0.223 0.000 0.826 129 A HN 0.681 nan 8.150 nan 0.000 0.444 130 Y N -0.383 119.958 120.300 0.068 0.000 2.274 130 Y HA -0.130 4.421 4.550 0.002 0.000 0.290 130 Y C 2.907 178.841 175.900 0.057 0.000 1.145 130 Y CA 0.459 58.594 58.100 0.057 0.000 1.203 130 Y CB -0.182 38.316 38.460 0.064 0.000 0.984 130 Y HN 0.392 nan 8.280 nan 0.000 0.533 131 A N 0.167 123.121 122.820 0.224 0.000 1.898 131 A HA -0.124 4.197 4.320 0.002 0.000 0.216 131 A C 2.099 179.735 177.584 0.086 0.000 1.181 131 A CA 1.364 53.500 52.037 0.166 0.000 0.620 131 A CB -0.850 18.273 19.000 0.206 0.000 0.819 131 A HN 0.463 nan 8.150 nan 0.000 0.442 132 L N -1.877 119.365 121.223 0.031 0.000 2.162 132 L HA 0.101 4.442 4.340 0.002 0.000 0.205 132 L C 1.289 178.153 176.870 -0.011 0.000 1.086 132 L CA 0.977 55.788 54.840 -0.048 0.000 0.778 132 L CB -0.031 41.945 42.059 -0.139 0.000 0.928 132 L HN 0.268 nan 8.230 nan 0.000 0.446 133 K N 0.404 120.821 120.400 0.029 0.000 2.756 133 K HA 0.207 4.528 4.320 0.002 0.000 0.218 133 K C -2.048 174.618 176.600 0.109 0.000 1.057 133 K CA -1.363 54.948 56.287 0.041 0.000 1.056 133 K CB 1.623 34.129 32.500 0.010 0.000 1.235 133 K HN -0.262 nan 8.250 nan 0.000 0.547 134 P HA -0.151 nan 4.420 nan 0.000 0.221 134 P C -0.126 177.257 177.300 0.138 0.000 1.145 134 P CA 1.092 64.278 63.100 0.143 0.000 0.795 134 P CB 0.364 32.110 31.700 0.077 0.000 0.775 135 D N -0.701 119.760 120.400 0.102 0.000 2.339 135 D HA 0.084 4.725 4.640 0.002 0.000 0.217 135 D C 0.874 177.237 176.300 0.105 0.000 1.050 135 D CA -0.322 53.729 54.000 0.085 0.000 0.856 135 D CB -0.122 40.709 40.800 0.050 0.000 0.922 135 D HN 0.208 nan 8.370 nan 0.000 0.518 136 I N 1.324 121.974 120.570 0.134 0.000 2.634 136 I HA -0.019 4.152 4.170 0.002 0.000 0.284 136 I C 0.392 176.595 176.117 0.144 0.000 1.124 136 I CA -0.288 61.068 61.300 0.094 0.000 1.417 136 I CB 0.565 38.584 38.000 0.031 0.000 1.396 136 I HN -0.306 nan 8.210 nan 0.000 0.571 137 K N 6.325 126.769 120.400 0.073 0.000 2.183 137 K HA 0.560 4.881 4.320 0.002 0.000 0.274 137 K C -1.603 175.001 176.600 0.007 0.000 1.009 137 K CA -0.642 55.693 56.287 0.080 0.000 0.888 137 K CB 1.038 33.567 32.500 0.047 0.000 1.078 137 K HN 0.493 nan 8.250 nan 0.000 0.459 138 V N 6.229 126.159 119.914 0.025 0.000 2.459 138 V HA 0.439 4.560 4.120 0.002 0.000 0.295 138 V C -0.276 175.784 176.094 -0.056 0.000 1.029 138 V CA -0.781 61.483 62.300 -0.059 0.000 0.874 138 V CB 1.500 33.257 31.823 -0.110 0.000 0.985 138 V HN 0.704 nan 8.190 nan 0.000 0.438 139 I N 3.890 124.372 120.570 -0.148 0.000 2.410 139 I HA 0.647 4.818 4.170 0.002 0.000 0.286 139 I C 0.100 176.040 176.117 -0.295 0.000 1.009 139 I CA -0.534 60.664 61.300 -0.169 0.000 1.111 139 I CB 1.844 39.688 38.000 -0.261 0.000 1.262 139 I HN 0.656 nan 8.210 nan 0.000 0.443 140 A N 7.905 130.556 122.820 -0.282 0.000 2.508 140 A HA 0.588 4.909 4.320 0.002 0.000 0.336 140 A C -2.005 175.325 177.584 -0.423 0.000 1.360 140 A CA -1.481 50.291 52.037 -0.443 0.000 0.841 140 A CB 0.230 19.064 19.000 -0.278 0.000 1.136 140 A HN 0.460 nan 8.150 nan 0.000 0.489 141 P HA -0.192 nan 4.420 nan 0.000 0.217 141 P C 0.772 177.028 177.300 -1.741 0.000 1.151 141 P CA 1.394 63.733 63.100 -1.268 0.000 0.849 141 P CB 0.042 30.841 31.700 -1.501 0.000 0.787 142 W N -0.239 120.229 121.300 -1.387 0.000 2.364 142 W HA -0.078 4.583 4.660 0.001 0.000 0.281 142 W C 2.120 178.305 176.519 -0.557 0.000 1.219 142 W CA 1.000 57.724 57.345 -1.035 0.000 1.220 142 W CB -0.534 28.662 29.460 -0.441 0.000 1.127 142 W HN -0.066 nan 8.180 nan 0.000 0.556 143 R N -0.326 120.038 120.500 -0.227 0.000 2.334 143 R HA 0.081 4.422 4.340 0.002 0.000 0.216 143 R C 1.064 177.309 176.300 -0.091 0.000 0.905 143 R CA 0.529 56.581 56.100 -0.080 0.000 1.064 143 R CB 0.140 30.428 30.300 -0.021 0.000 1.046 143 R HN 0.322 nan 8.270 nan 0.000 0.508 144 E N -0.310 119.758 120.200 -0.221 0.000 2.399 144 E HA 0.013 4.364 4.350 0.002 0.000 0.206 144 E C -0.058 176.581 176.600 0.065 0.000 0.812 144 E CA -0.253 56.122 56.400 -0.042 0.000 1.138 144 E CB 0.133 29.881 29.700 0.080 0.000 1.140 144 E HN 0.100 nan 8.360 nan 0.000 0.536 145 W N 1.892 123.035 121.300 -0.262 0.000 1.992 145 W HA 0.246 4.907 4.660 0.002 0.000 0.360 145 W C 0.806 177.190 176.519 -0.224 0.000 1.369 145 W CA -0.628 56.541 57.345 -0.294 0.000 1.403 145 W CB -0.341 28.585 29.460 -0.891 0.000 1.215 145 W HN -0.201 nan 8.180 nan 0.000 0.643 146 S N -0.591 115.090 115.700 -0.031 0.000 2.568 146 S HA 0.276 4.747 4.470 0.002 0.000 0.232 146 S C 0.079 174.552 174.600 -0.213 0.000 0.975 146 S CA -0.647 57.501 58.200 -0.087 0.000 0.949 146 S CB -1.079 62.078 63.200 -0.073 0.000 0.829 146 S HN 0.324 nan 8.310 nan 0.000 0.479 147 F N 2.757 122.450 119.950 -0.429 0.000 2.608 147 F HA 0.101 4.628 4.527 0.002 0.000 0.380 147 F C 1.117 176.747 175.800 -0.283 0.000 1.083 147 F CA 0.027 57.700 58.000 -0.546 0.000 1.266 147 F CB 0.347 38.676 39.000 -1.118 0.000 1.076 147 F HN 0.184 nan 8.300 nan 0.000 0.574 148 Q N 3.095 122.912 119.800 0.029 0.000 2.644 148 Q HA 0.496 4.837 4.340 0.002 0.000 0.245 148 Q C 0.064 176.069 176.000 0.009 0.000 1.064 148 Q CA -0.459 55.360 55.803 0.026 0.000 0.860 148 Q CB 1.554 30.308 28.738 0.025 0.000 1.145 148 Q HN 0.917 nan 8.270 nan 0.000 0.515 149 G N 0.889 109.689 108.800 -0.000 0.000 2.570 149 G HA2 -0.204 3.757 3.960 0.002 0.000 0.686 149 G HA3 -0.204 3.757 3.960 0.002 0.000 0.686 149 G C -0.269 174.580 174.900 -0.085 0.000 1.257 149 G CA -0.669 44.423 45.100 -0.014 0.000 0.846 149 G HN 0.477 nan 8.290 nan 0.000 0.627 150 R N 0.488 120.954 120.500 -0.056 0.000 2.115 150 R HA 0.090 4.431 4.340 0.002 0.000 0.226 150 R C 2.349 178.577 176.300 -0.120 0.000 1.100 150 R CA 2.229 58.273 56.100 -0.093 0.000 0.980 150 R CB -0.432 29.851 30.300 -0.029 0.000 0.875 150 R HN 0.514 nan 8.270 nan 0.000 0.445 151 K N 0.508 120.861 120.400 -0.078 0.000 2.057 151 K HA -0.107 4.214 4.320 0.002 0.000 0.207 151 K C 1.915 178.466 176.600 -0.082 0.000 1.049 151 K CA 1.787 58.036 56.287 -0.064 0.000 0.931 151 K CB -0.338 32.142 32.500 -0.034 0.000 0.714 151 K HN 0.373 nan 8.250 nan 0.000 0.440 152 E N 0.383 120.526 120.200 -0.095 0.000 2.204 152 E HA -0.109 4.242 4.350 0.002 0.000 0.194 152 E C 1.812 178.276 176.600 -0.227 0.000 0.989 152 E CA 0.830 57.184 56.400 -0.076 0.000 0.824 152 E CB 0.023 29.723 29.700 -0.001 0.000 0.756 152 E HN 0.285 nan 8.360 nan 0.000 0.477 153 M N -0.131 119.197 119.600 -0.452 0.000 2.132 153 M HA -0.131 4.350 4.480 0.002 0.000 0.263 153 M C 2.083 178.193 176.300 -0.316 0.000 1.065 153 M CA 0.963 55.823 55.300 -0.734 0.000 1.122 153 M CB -0.101 32.044 32.600 -0.759 0.000 1.365 153 M HN 0.156 nan 8.290 nan 0.000 0.411 154 I N 0.619 121.080 120.570 -0.181 0.000 2.226 154 I HA -0.224 3.947 4.170 0.002 0.000 0.245 154 I C 2.643 178.739 176.117 -0.034 0.000 1.100 154 I CA 1.552 62.801 61.300 -0.085 0.000 1.374 154 I CB -0.704 37.259 38.000 -0.062 0.000 1.057 154 I HN 0.202 nan 8.210 nan 0.000 0.413 155 A N -0.657 122.150 122.820 -0.021 0.000 1.902 155 A HA -0.290 4.031 4.320 0.002 0.000 0.217 155 A C 2.390 180.026 177.584 0.087 0.000 1.181 155 A CA 1.761 53.814 52.037 0.026 0.000 0.623 155 A CB -1.171 17.850 19.000 0.036 0.000 0.818 155 A HN 0.525 nan 8.150 nan 0.000 0.443 156 Y N 0.573 120.864 120.300 -0.016 0.000 2.145 156 Y HA -0.086 4.465 4.550 0.002 0.000 0.286 156 Y C 2.631 178.629 175.900 0.164 0.000 1.145 156 Y CA 1.322 59.486 58.100 0.107 0.000 1.148 156 Y CB -0.502 37.984 38.460 0.044 0.000 0.981 156 Y HN 0.312 nan 8.280 nan 0.000 0.507 157 A N 0.298 123.168 122.820 0.084 0.000 1.855 157 A HA -0.183 4.138 4.320 0.002 0.000 0.215 157 A C 2.113 179.704 177.584 0.013 0.000 1.191 157 A CA 1.811 53.863 52.037 0.025 0.000 0.613 157 A CB -0.839 18.178 19.000 0.027 0.000 0.829 157 A HN 0.596 nan 8.150 nan 0.000 0.442 158 E N -0.302 119.900 120.200 0.004 0.000 2.097 158 E HA -0.198 4.153 4.350 0.002 0.000 0.196 158 E C 2.227 178.809 176.600 -0.029 0.000 1.000 158 E CA 1.074 57.469 56.400 -0.009 0.000 0.804 158 E CB -0.306 29.388 29.700 -0.011 0.000 0.740 158 E HN 0.614 nan 8.360 nan 0.000 0.454 159 A N 0.592 123.388 122.820 -0.040 0.000 2.070 159 A HA -0.163 4.158 4.320 0.002 0.000 0.220 159 A C 1.210 178.652 177.584 -0.237 0.000 1.159 159 A CA 1.356 53.321 52.037 -0.120 0.000 0.656 159 A CB -0.461 18.468 19.000 -0.118 0.000 0.800 159 A HN 0.229 nan 8.150 nan 0.000 0.453 160 H N -1.755 117.196 119.070 -0.197 0.000 2.505 160 H HA 0.381 4.938 4.556 0.002 0.000 0.289 160 H C 1.443 176.714 175.328 -0.096 0.000 1.052 160 H CA 0.404 56.343 56.048 -0.183 0.000 1.156 160 H CB 0.213 29.803 29.762 -0.285 0.000 1.507 160 H HN 0.532 nan 8.280 nan 0.000 0.548 161 G N 0.814 109.615 108.800 0.002 0.000 2.168 161 G HA2 -0.305 3.656 3.960 0.002 0.000 0.263 161 G HA3 -0.305 3.656 3.960 0.002 0.000 0.263 161 G C 0.213 175.128 174.900 0.025 0.000 0.977 161 G CA 0.176 45.279 45.100 0.005 0.000 0.659 161 G HN 0.381 nan 8.290 nan 0.000 0.533 162 I N 3.007 123.600 120.570 0.038 0.000 2.416 162 I HA 0.247 4.418 4.170 0.002 0.000 0.288 162 I C -1.287 174.846 176.117 0.028 0.000 1.051 162 I CA -2.102 59.225 61.300 0.045 0.000 1.375 162 I CB 1.044 39.080 38.000 0.059 0.000 1.407 162 I HN -0.055 nan 8.210 nan 0.000 0.516 163 P HA 0.116 nan 4.420 nan 0.000 0.269 163 P C -0.705 176.601 177.300 0.009 0.000 1.209 163 P CA -0.053 63.055 63.100 0.014 0.000 0.776 163 P CB 1.247 32.955 31.700 0.014 0.000 0.876 164 V N 3.869 123.782 119.914 -0.001 0.000 2.864 164 V HA 0.337 4.458 4.120 0.002 0.000 0.314 164 V C -1.515 174.572 176.094 -0.012 0.000 1.073 164 V CA -1.437 60.858 62.300 -0.008 0.000 0.956 164 V CB 0.674 32.488 31.823 -0.014 0.000 1.023 164 V HN 0.603 nan 8.190 nan 0.000 0.435 172 Y N -2.225 118.058 120.300 -0.029 0.000 2.765 172 Y HA 0.699 5.250 4.550 0.002 0.000 0.350 172 Y C -0.756 175.122 175.900 -0.035 0.000 1.196 172 Y CA -1.252 56.828 58.100 -0.032 0.000 1.119 172 Y CB 0.149 38.591 38.460 -0.031 0.000 1.368 172 Y HN -0.081 nan 8.280 nan 0.000 0.463 173 S N 1.494 117.301 115.700 0.177 0.000 2.654 173 S HA 0.870 5.341 4.470 0.002 0.000 0.283 173 S C -0.847 173.779 174.600 0.044 0.000 1.180 173 S CA -0.490 57.748 58.200 0.062 0.000 1.021 173 S CB 0.526 63.721 63.200 -0.008 0.000 1.018 173 S HN 0.655 nan 8.310 nan 0.000 0.532 174 M N 2.417 121.985 119.600 -0.054 0.000 2.550 174 M HA 0.431 4.912 4.480 0.002 0.000 0.292 174 M C -1.925 174.262 176.300 -0.188 0.000 1.221 174 M CA -0.687 54.483 55.300 -0.218 0.000 0.873 174 M CB 2.431 34.888 32.600 -0.238 0.000 1.727 174 M HN 0.669 nan 8.290 nan 0.000 0.459 175 D N 1.445 121.699 120.400 -0.243 0.000 2.736 175 D HA 0.704 5.345 4.640 0.002 0.000 0.243 175 D C -1.833 174.392 176.300 -0.125 0.000 1.304 175 D CA -0.076 53.850 54.000 -0.123 0.000 0.934 175 D CB 1.620 42.403 40.800 -0.029 0.000 1.382 175 D HN 0.721 nan 8.370 nan 0.000 0.571 176 A N 3.342 126.116 122.820 -0.078 0.000 2.386 176 A HA 0.852 5.172 4.320 0.002 0.000 0.311 176 A C -0.642 176.949 177.584 0.013 0.000 1.068 176 A CA -0.676 51.346 52.037 -0.025 0.000 0.743 176 A CB 1.150 20.117 19.000 -0.055 0.000 1.258 176 A HN 0.705 nan 8.150 nan 0.000 0.429 177 N N -0.020 118.733 118.700 0.088 0.000 3.277 177 N HA 0.244 4.985 4.740 0.002 0.000 0.278 177 N C 0.063 175.664 175.510 0.151 0.000 1.544 177 N CA -0.845 52.227 53.050 0.037 0.000 0.869 177 N CB 0.165 38.588 38.487 -0.106 0.000 1.584 177 N HN 0.279 nan 8.380 nan 0.000 0.564 178 L N -0.699 120.647 121.223 0.205 0.000 2.189 178 L HA -0.093 4.248 4.340 0.002 0.000 0.214 178 L C 1.531 178.544 176.870 0.239 0.000 1.097 178 L CA 1.278 56.263 54.840 0.242 0.000 0.764 178 L CB -0.337 41.895 42.059 0.290 0.000 0.900 178 L HN 0.591 nan 8.230 nan 0.000 0.436 179 L N -1.172 120.233 121.223 0.303 0.000 2.249 179 L HA 0.039 4.380 4.340 0.002 0.000 0.207 179 L C 0.835 177.853 176.870 0.247 0.000 1.090 179 L CA 1.147 56.097 54.840 0.183 0.000 0.802 179 L CB -0.127 41.984 42.059 0.086 0.000 0.947 179 L HN 0.476 nan 8.230 nan 0.000 0.453 180 H N -2.685 116.482 119.070 0.161 0.000 2.954 180 H HA 0.461 5.018 4.556 0.002 0.000 0.262 180 H C -1.445 173.969 175.328 0.144 0.000 1.515 180 H CA -1.793 54.360 56.048 0.175 0.000 1.179 180 H CB 0.207 30.108 29.762 0.231 0.000 1.888 180 H HN -0.105 nan 8.280 nan 0.000 0.645 181 I N 1.348 121.839 120.570 -0.132 0.000 2.571 181 I HA 0.334 4.505 4.170 0.002 0.000 0.289 181 I C -0.466 175.242 176.117 -0.682 0.000 1.115 181 I CA -0.724 60.355 61.300 -0.368 0.000 1.045 181 I CB 2.071 39.972 38.000 -0.166 0.000 1.238 181 I HN 0.637 nan 8.210 nan 0.000 0.424 182 S N 5.813 121.044 115.700 -0.781 0.000 2.509 182 S HA 0.695 5.166 4.470 0.002 0.000 0.297 182 S C -1.440 172.724 174.600 -0.728 0.000 1.118 182 S CA -0.227 57.626 58.200 -0.579 0.000 1.074 182 S CB 0.732 63.843 63.200 -0.148 0.000 1.038 182 S HN 0.363 nan 8.310 nan 0.000 0.498 183 Y N 2.310 122.321 120.300 -0.482 0.000 2.373 183 Y HA 0.557 5.108 4.550 0.002 0.000 0.336 183 Y C 0.126 175.795 175.900 -0.385 0.000 0.979 183 Y CA -0.713 57.140 58.100 -0.411 0.000 1.080 183 Y CB 1.676 39.774 38.460 -0.604 0.000 1.190 183 Y HN 0.842 nan 8.280 nan 0.000 0.446 184 E N 1.131 121.278 120.200 -0.087 0.000 2.401 184 E HA 0.715 5.066 4.350 0.002 0.000 0.280 184 E C -0.400 176.207 176.600 0.012 0.000 1.039 184 E CA -1.103 55.255 56.400 -0.071 0.000 0.814 184 E CB 2.139 31.783 29.700 -0.094 0.000 1.275 184 E HN 0.946 nan 8.360 nan 0.000 0.448 185 G N -0.212 108.596 108.800 0.013 0.000 2.710 185 G HA2 0.294 4.255 3.960 0.002 0.000 0.668 185 G HA3 0.294 4.255 3.960 0.002 0.000 0.668 185 G C 0.655 175.596 174.900 0.067 0.000 1.320 185 G CA 0.240 45.359 45.100 0.032 0.000 0.860 185 G HN 1.852 nan 8.290 nan 0.000 0.538 186 G N -1.743 107.086 108.800 0.049 0.000 2.611 186 G HA2 0.002 3.963 3.960 0.002 0.000 0.301 186 G HA3 0.002 3.963 3.960 0.002 0.000 0.301 186 G C 1.947 176.878 174.900 0.052 0.000 1.233 186 G CA 2.736 47.865 45.100 0.049 0.000 0.993 186 G HN 2.528 nan 8.290 nan 0.000 0.553 187 V N -1.650 118.306 119.914 0.070 0.000 2.867 187 V HA 0.095 4.216 4.120 0.002 0.000 0.260 187 V C 2.664 178.774 176.094 0.027 0.000 1.099 187 V CA 2.487 64.817 62.300 0.050 0.000 1.122 187 V CB -0.459 31.398 31.823 0.057 0.000 0.708 187 V HN 0.609 nan 8.190 nan 0.000 0.490 188 L N 0.683 121.920 121.223 0.023 0.000 2.478 188 L HA 0.095 4.436 4.340 0.002 0.000 0.223 188 L C 2.486 179.350 176.870 -0.009 0.000 1.140 188 L CA 1.217 56.039 54.840 -0.030 0.000 0.842 188 L CB -1.296 40.720 42.059 -0.073 0.000 0.953 188 L HN 0.468 nan 8.230 nan 0.000 0.452 189 E N -0.813 119.396 120.200 0.015 0.000 2.401 189 E HA -0.157 4.194 4.350 0.002 0.000 0.199 189 E C 0.284 176.904 176.600 0.035 0.000 1.023 189 E CA 0.309 56.723 56.400 0.023 0.000 0.859 189 E CB 0.012 29.728 29.700 0.027 0.000 0.780 189 E HN 0.301 nan 8.360 nan 0.000 0.523 190 D N 0.699 121.122 120.400 0.039 0.000 2.443 190 D HA 0.039 4.680 4.640 0.002 0.000 0.221 190 D C -1.596 174.751 176.300 0.078 0.000 1.097 190 D CA -2.628 51.413 54.000 0.068 0.000 0.865 190 D CB 1.122 41.969 40.800 0.077 0.000 1.034 190 D HN -0.130 nan 8.370 nan 0.000 0.511 191 P HA -0.104 nan 4.420 nan 0.000 0.226 191 P C 1.055 178.455 177.300 0.166 0.000 1.146 191 P CA 0.548 63.708 63.100 0.101 0.000 0.773 191 P CB 0.033 31.796 31.700 0.104 0.000 0.772 192 W N 0.661 121.953 121.300 -0.014 0.000 3.114 192 W HA 0.382 5.043 4.660 0.002 0.000 0.279 192 W C -0.354 176.154 176.519 -0.019 0.000 1.277 192 W CA 0.036 57.372 57.345 -0.014 0.000 1.630 192 W CB 0.507 29.962 29.460 -0.009 0.000 1.087 192 W HN -0.182 nan 8.180 nan 0.000 0.637 193 A N 2.075 124.877 122.820 -0.030 0.000 2.289 193 A HA 0.226 4.547 4.320 0.002 0.000 0.298 193 A C -0.146 177.346 177.584 -0.154 0.000 1.208 193 A CA -0.357 51.612 52.037 -0.113 0.000 0.845 193 A CB 0.433 19.421 19.000 -0.020 0.000 1.125 193 A HN 0.336 nan 8.150 nan 0.000 0.517 194 E N 2.729 122.810 120.200 -0.199 0.000 2.415 194 E HA 0.220 4.571 4.350 0.002 0.000 0.262 194 E C -2.074 174.438 176.600 -0.147 0.000 1.038 194 E CA -1.359 54.937 56.400 -0.174 0.000 0.921 194 E CB 0.350 29.949 29.700 -0.169 0.000 0.950 194 E HN 0.424 nan 8.360 nan 0.000 0.438 195 P HA 0.079 nan 4.420 nan 0.000 0.269 195 P C -2.425 174.757 177.300 -0.196 0.000 1.215 195 P CA -0.801 62.158 63.100 -0.236 0.000 0.780 195 P CB 0.012 31.489 31.700 -0.371 0.000 0.898 196 P HA 0.062 nan 4.420 nan 0.000 0.269 196 P C -0.541 176.683 177.300 -0.126 0.000 1.215 196 P CA -0.020 63.013 63.100 -0.111 0.000 0.780 196 P CB 0.672 32.350 31.700 -0.036 0.000 0.898 197 K N 0.748 121.106 120.400 -0.070 0.000 2.485 197 K HA 0.229 4.550 4.320 0.002 0.000 0.277 197 K C 1.321 177.892 176.600 -0.048 0.000 0.990 197 K CA 0.800 57.057 56.287 -0.049 0.000 0.994 197 K CB -0.439 32.044 32.500 -0.029 0.000 0.906 197 K HN 0.836 nan 8.250 nan 0.000 0.488 198 G N 2.269 111.051 108.800 -0.030 0.000 2.168 198 G HA2 -0.350 3.611 3.960 0.002 0.000 0.263 198 G HA3 -0.350 3.611 3.960 0.002 0.000 0.263 198 G C 0.676 175.536 174.900 -0.066 0.000 0.977 198 G CA 0.726 45.816 45.100 -0.018 0.000 0.659 198 G HN 0.733 nan 8.290 nan 0.000 0.533 199 M N -0.698 118.769 119.600 -0.221 0.000 2.117 199 M HA 0.234 4.715 4.480 0.002 0.000 0.262 199 M C 1.069 177.043 176.300 -0.544 0.000 1.065 199 M CA 0.985 56.010 55.300 -0.459 0.000 1.114 199 M CB -0.034 32.007 32.600 -0.932 0.000 1.361 199 M HN 0.171 nan 8.290 nan 0.000 0.408 200 F N 0.594 120.326 119.950 -0.362 0.000 2.572 200 F HA 0.020 4.548 4.527 0.002 0.000 0.370 200 F C 1.447 177.224 175.800 -0.038 0.000 1.103 200 F CA 0.330 58.176 58.000 -0.257 0.000 1.286 200 F CB 0.411 39.291 39.000 -0.199 0.000 1.105 200 F HN 0.071 nan 8.300 nan 0.000 0.583 201 R N 1.670 122.339 120.500 0.282 0.000 2.194 201 R HA 0.153 4.494 4.340 0.002 0.000 0.194 201 R C 1.808 178.207 176.300 0.166 0.000 0.985 201 R CA 0.172 56.392 56.100 0.200 0.000 1.104 201 R CB -0.040 30.382 30.300 0.203 0.000 1.092 201 R HN 0.688 nan 8.270 nan 0.000 0.555 202 M N 1.388 121.109 119.600 0.201 0.000 2.419 202 M HA 0.016 4.497 4.480 0.002 0.000 0.264 202 M C -0.161 176.200 176.300 0.102 0.000 1.082 202 M CA 1.021 56.407 55.300 0.144 0.000 1.119 202 M CB 0.473 33.172 32.600 0.165 0.000 1.398 202 M HN 0.070 nan 8.290 nan 0.000 0.453 203 T N -1.691 112.918 114.554 0.092 0.000 2.876 203 T HA 0.360 4.711 4.350 0.002 0.000 0.289 203 T C -0.778 173.910 174.700 -0.020 0.000 1.014 203 T CA -0.940 61.163 62.100 0.004 0.000 0.986 203 T CB 2.038 70.854 68.868 -0.087 0.000 1.021 203 T HN 0.323 nan 8.240 nan 0.000 0.458 204 Q N 1.595 121.368 119.800 -0.046 0.000 2.288 204 Q HA 0.199 4.540 4.340 0.002 0.000 0.254 204 Q C -0.621 175.322 176.000 -0.094 0.000 0.932 204 Q CA -0.616 55.155 55.803 -0.054 0.000 0.902 204 Q CB 0.512 29.210 28.738 -0.068 0.000 1.203 204 Q HN 0.614 nan 8.270 nan 0.000 0.415 205 D N 5.406 125.762 120.400 -0.074 0.000 2.488 205 D HA -0.034 4.607 4.640 0.002 0.000 0.238 205 D C -1.742 174.490 176.300 -0.113 0.000 1.138 205 D CA -1.130 52.812 54.000 -0.097 0.000 0.873 205 D CB 0.928 41.698 40.800 -0.050 0.000 1.183 205 D HN 0.478 nan 8.370 nan 0.000 0.458 206 P HA -0.149 nan 4.420 nan 0.000 0.217 206 P C 0.886 178.108 177.300 -0.131 0.000 1.148 206 P CA 1.184 64.197 63.100 -0.144 0.000 0.828 206 P CB 0.344 31.955 31.700 -0.149 0.000 0.783 207 E N -0.581 119.561 120.200 -0.098 0.000 2.204 207 E HA -0.169 4.182 4.350 0.002 0.000 0.195 207 E C 1.620 178.179 176.600 -0.069 0.000 0.990 207 E CA 0.996 57.351 56.400 -0.075 0.000 0.821 207 E CB -0.503 29.165 29.700 -0.053 0.000 0.750 207 E HN 0.363 nan 8.360 nan 0.000 0.477 208 E N -0.156 120.000 120.200 -0.073 0.000 2.452 208 E HA 0.204 4.555 4.350 0.002 0.000 0.197 208 E C 0.449 176.999 176.600 -0.084 0.000 1.022 208 E CA 0.204 56.566 56.400 -0.064 0.000 0.890 208 E CB 0.193 29.862 29.700 -0.051 0.000 0.918 208 E HN 0.162 nan 8.360 nan 0.000 0.496 209 A N 3.067 125.819 122.820 -0.114 0.000 2.448 209 A HA 0.252 4.573 4.320 0.002 0.000 0.239 209 A C -2.194 175.316 177.584 -0.124 0.000 1.080 209 A CA -0.888 51.059 52.037 -0.150 0.000 0.779 209 A CB -0.459 18.443 19.000 -0.162 0.000 1.026 209 A HN -0.133 nan 8.150 nan 0.000 0.499 210 P HA 0.015 nan 4.420 nan 0.000 0.265 210 P C -0.196 177.144 177.300 0.068 0.000 1.187 210 P CA 0.162 63.246 63.100 -0.026 0.000 0.766 210 P CB 0.425 32.108 31.700 -0.028 0.000 0.820 211 D N 0.885 121.353 120.400 0.113 0.000 2.355 211 D HA 0.039 4.680 4.640 0.002 0.000 0.218 211 D C 0.535 177.043 176.300 0.346 0.000 1.004 211 D CA 0.623 54.757 54.000 0.223 0.000 0.880 211 D CB 0.182 41.066 40.800 0.141 0.000 0.911 211 D HN 0.320 nan 8.370 nan 0.000 0.528 212 A N 2.316 125.295 122.820 0.265 0.000 2.271 212 A HA 0.478 4.799 4.320 0.002 0.000 0.317 212 A C -2.327 175.439 177.584 0.303 0.000 1.245 212 A CA -1.302 50.871 52.037 0.227 0.000 0.857 212 A CB 1.034 20.126 19.000 0.153 0.000 1.175 212 A HN -0.143 nan 8.150 nan 0.000 0.512 213 P HA 0.158 nan 4.420 nan 0.000 0.272 213 P C -0.634 176.671 177.300 0.009 0.000 1.223 213 P CA -0.029 63.138 63.100 0.113 0.000 0.784 213 P CB 0.933 32.548 31.700 -0.141 0.000 0.923 214 E N 1.432 121.531 120.200 -0.168 0.000 2.199 214 E HA 0.281 4.632 4.350 0.002 0.000 0.265 214 E C -1.107 175.393 176.600 -0.168 0.000 0.882 214 E CA -0.721 55.636 56.400 -0.072 0.000 0.759 214 E CB 0.718 30.416 29.700 -0.004 0.000 1.148 214 E HN 0.294 nan 8.360 nan 0.000 0.412 215 Y N 2.053 122.350 120.300 -0.005 0.000 2.299 215 Y HA 0.416 4.967 4.550 0.002 0.000 0.326 215 Y C 0.070 175.977 175.900 0.011 0.000 1.164 215 Y CA -0.323 57.778 58.100 0.001 0.000 1.234 215 Y CB 1.641 40.104 38.460 0.005 0.000 1.219 215 Y HN 0.256 nan 8.280 nan 0.000 0.497 216 V N 3.673 123.673 119.914 0.143 0.000 2.808 216 V HA 0.468 4.589 4.120 0.002 0.000 0.308 216 V C -1.233 174.923 176.094 0.104 0.000 1.099 216 V CA -0.639 61.723 62.300 0.103 0.000 0.920 216 V CB 2.049 33.911 31.823 0.065 0.000 1.014 216 V HN 0.863 nan 8.190 nan 0.000 0.425 217 E N 4.167 124.418 120.200 0.086 0.000 2.199 217 E HA 0.686 5.037 4.350 0.002 0.000 0.269 217 E C -1.520 175.116 176.600 0.060 0.000 0.899 217 E CA -0.716 55.731 56.400 0.080 0.000 0.772 217 E CB 2.579 32.319 29.700 0.067 0.000 1.155 217 E HN 0.513 nan 8.360 nan 0.000 0.408 218 V N 2.579 122.539 119.914 0.076 0.000 2.483 218 V HA 0.200 4.321 4.120 0.002 0.000 0.297 218 V C -0.248 175.872 176.094 0.043 0.000 1.027 218 V CA -0.756 61.557 62.300 0.022 0.000 0.855 218 V CB 1.637 33.480 31.823 0.032 0.000 0.995 218 V HN 0.659 nan 8.190 nan 0.000 0.424 219 E N 3.581 123.753 120.200 -0.048 0.000 2.227 219 E HA 0.499 4.850 4.350 0.002 0.000 0.282 219 E C -1.671 174.861 176.600 -0.112 0.000 1.015 219 E CA -0.438 55.969 56.400 0.011 0.000 0.823 219 E CB 0.986 30.692 29.700 0.009 0.000 1.081 219 E HN 0.498 nan 8.360 nan 0.000 0.396 220 F N 3.753 123.710 119.950 0.011 0.000 2.469 220 F HA 0.423 4.951 4.527 0.002 0.000 0.332 220 F C -0.506 175.344 175.800 0.083 0.000 1.103 220 F CA -0.757 57.240 58.000 -0.006 0.000 0.979 220 F CB 1.228 40.185 39.000 -0.071 0.000 1.137 220 F HN 0.377 nan 8.300 nan 0.000 0.463 221 F N 2.980 122.967 119.950 0.061 0.000 2.553 221 F HA 0.355 4.883 4.527 0.002 0.000 0.335 221 F C 0.110 175.924 175.800 0.024 0.000 1.148 221 F CA -0.970 57.048 58.000 0.031 0.000 0.963 221 F CB 0.813 39.815 39.000 0.002 0.000 1.217 221 F HN 0.719 nan 8.300 nan 0.000 0.441 222 E N 4.196 124.047 120.200 -0.581 0.000 2.360 222 E HA -0.250 4.101 4.350 0.002 0.000 0.238 222 E C 1.075 177.556 176.600 -0.198 0.000 1.186 222 E CA 0.906 57.023 56.400 -0.473 0.000 0.719 222 E CB -1.331 27.973 29.700 -0.660 0.000 1.236 222 E HN 1.289 nan 8.360 nan 0.000 0.386 223 G N -0.400 108.343 108.800 -0.096 0.000 2.258 223 G HA2 -0.244 3.717 3.960 0.002 0.000 0.233 223 G HA3 -0.244 3.717 3.960 0.002 0.000 0.233 223 G C -0.186 174.734 174.900 0.034 0.000 1.006 223 G CA 0.240 45.314 45.100 -0.043 0.000 0.620 223 G HN 0.336 nan 8.290 nan 0.000 0.511 224 D N 1.900 122.298 120.400 -0.005 0.000 2.350 224 D HA 0.504 5.145 4.640 0.002 0.000 0.245 224 D C -2.577 173.486 176.300 -0.396 0.000 1.036 224 D CA -1.316 52.520 54.000 -0.273 0.000 0.848 224 D CB 2.354 43.022 40.800 -0.220 0.000 1.307 224 D HN 0.145 nan 8.370 nan 0.000 0.469 225 P HA 0.004 nan 4.420 nan 0.000 0.276 225 P C 0.707 177.774 177.300 -0.388 0.000 1.253 225 P CA -0.236 62.270 63.100 -0.990 0.000 0.766 225 P CB 1.173 32.269 31.700 -1.006 0.000 0.845 226 V N 0.600 120.367 119.914 -0.245 0.000 3.645 226 V HA 0.661 4.782 4.120 0.002 0.000 0.275 226 V C 0.448 176.505 176.094 -0.061 0.000 1.356 226 V CA 0.359 62.618 62.300 -0.068 0.000 1.051 226 V CB -0.119 31.698 31.823 -0.010 0.000 0.828 226 V HN 0.611 nan 8.190 nan 0.000 0.441 227 A N -0.368 122.393 122.820 -0.098 0.000 2.594 227 A HA 0.821 5.142 4.320 0.002 0.000 0.295 227 A C -1.339 176.211 177.584 -0.057 0.000 1.071 227 A CA -0.419 51.585 52.037 -0.055 0.000 0.685 227 A CB 2.201 21.180 19.000 -0.035 0.000 1.285 227 A HN 0.485 nan 8.150 nan 0.000 0.405 228 V N 2.664 122.565 119.914 -0.022 0.000 2.483 228 V HA 0.385 4.506 4.120 0.002 0.000 0.297 228 V C -0.165 175.938 176.094 0.014 0.000 1.027 228 V CA -0.706 61.592 62.300 -0.003 0.000 0.855 228 V CB 1.310 33.138 31.823 0.008 0.000 0.995 228 V HN 0.965 nan 8.190 nan 0.000 0.424 229 N N 4.095 122.809 118.700 0.024 0.000 2.727 229 N HA -0.226 4.515 4.740 0.002 0.000 0.249 229 N C 1.217 176.739 175.510 0.020 0.000 1.048 229 N CA 1.504 54.573 53.050 0.031 0.000 0.714 229 N CB -1.011 37.500 38.487 0.039 0.000 0.959 229 N HN 1.552 nan 8.380 nan 0.000 0.544 230 G N -0.441 108.367 108.800 0.012 0.000 2.234 230 G HA2 -0.364 3.597 3.960 0.002 0.000 0.260 230 G HA3 -0.364 3.597 3.960 0.002 0.000 0.260 230 G C -0.175 174.725 174.900 0.001 0.000 0.987 230 G CA 0.711 45.814 45.100 0.006 0.000 0.625 230 G HN 0.702 nan 8.290 nan 0.000 0.532 231 E N 1.339 121.541 120.200 0.003 0.000 2.146 231 E HA 0.462 4.813 4.350 0.002 0.000 0.282 231 E C 0.548 177.146 176.600 -0.004 0.000 0.989 231 E CA -0.980 55.420 56.400 0.002 0.000 0.799 231 E CB 0.396 30.101 29.700 0.009 0.000 1.088 231 E HN 0.217 nan 8.360 nan 0.000 0.397 232 R N 4.308 124.803 120.500 -0.009 0.000 2.489 232 R HA 0.284 4.625 4.340 0.002 0.000 0.287 232 R C -0.355 175.945 176.300 -0.000 0.000 1.053 232 R CA 0.039 56.131 56.100 -0.012 0.000 1.036 232 R CB 0.056 30.344 30.300 -0.020 0.000 0.966 232 R HN 0.545 nan 8.270 nan 0.000 0.432 233 L N 1.041 122.268 121.223 0.006 0.000 2.422 233 L HA 0.289 4.630 4.340 0.002 0.000 0.264 233 L C 0.468 177.358 176.870 0.034 0.000 0.984 233 L CA -0.892 53.959 54.840 0.019 0.000 0.819 233 L CB 2.233 44.306 42.059 0.023 0.000 1.330 233 L HN 0.684 nan 8.230 nan 0.000 0.410 234 S N 1.120 116.837 115.700 0.029 0.000 2.589 234 S HA 0.274 4.745 4.470 0.002 0.000 0.265 234 S C -1.999 172.620 174.600 0.032 0.000 1.342 234 S CA -0.825 57.393 58.200 0.030 0.000 1.005 234 S CB 0.833 64.041 63.200 0.014 0.000 0.909 234 S HN 0.424 nan 8.310 nan 0.000 0.555 235 P HA -0.197 nan 4.420 nan 0.000 0.214 235 P C 1.715 178.933 177.300 -0.138 0.000 1.172 235 P CA 2.416 65.418 63.100 -0.163 0.000 0.925 235 P CB -0.334 31.033 31.700 -0.555 0.000 0.793 236 A N -0.566 122.182 122.820 -0.120 0.000 1.902 236 A HA -0.133 4.188 4.320 0.002 0.000 0.217 236 A C 2.318 179.904 177.584 0.004 0.000 1.181 236 A CA 2.242 54.250 52.037 -0.049 0.000 0.623 236 A CB -1.656 17.336 19.000 -0.012 0.000 0.818 236 A HN 0.211 nan 8.150 nan 0.000 0.443 237 A N -0.629 122.197 122.820 0.011 0.000 1.969 237 A HA 0.014 4.335 4.320 0.002 0.000 0.218 237 A C 2.180 179.786 177.584 0.036 0.000 1.169 237 A CA 1.409 53.461 52.037 0.025 0.000 0.635 237 A CB -0.512 18.502 19.000 0.022 0.000 0.810 237 A HN 0.597 nan 8.150 nan 0.000 0.445 238 L N -0.903 120.348 121.223 0.047 0.000 2.072 238 L HA -0.040 4.301 4.340 0.002 0.000 0.205 238 L C 2.392 179.304 176.870 0.071 0.000 1.079 238 L CA 1.108 55.985 54.840 0.062 0.000 0.752 238 L CB -0.149 41.967 42.059 0.094 0.000 0.906 238 L HN 0.450 nan 8.230 nan 0.000 0.436 239 L N -0.457 120.815 121.223 0.081 0.000 2.046 239 L HA -0.259 4.082 4.340 0.002 0.000 0.208 239 L C 2.635 179.548 176.870 0.072 0.000 1.077 239 L CA 1.585 56.475 54.840 0.083 0.000 0.747 239 L CB -0.229 41.867 42.059 0.061 0.000 0.896 239 L HN 0.443 nan 8.230 nan 0.000 0.432 240 Q N 0.447 120.283 119.800 0.061 0.000 2.030 240 Q HA -0.302 4.038 4.340 0.002 0.000 0.204 240 Q C 2.162 178.197 176.000 0.058 0.000 0.986 240 Q CA 2.210 58.049 55.803 0.059 0.000 0.843 240 Q CB -0.302 28.465 28.738 0.049 0.000 0.904 240 Q HN 0.223 nan 8.270 nan 0.000 0.420 241 R N -0.099 120.432 120.500 0.052 0.000 2.096 241 R HA -0.082 4.259 4.340 0.002 0.000 0.240 241 R C 2.165 178.501 176.300 0.060 0.000 1.139 241 R CA 1.898 58.029 56.100 0.051 0.000 0.952 241 R CB -0.825 29.501 30.300 0.043 0.000 0.854 241 R HN 0.480 nan 8.270 nan 0.000 0.436 242 L N 0.364 121.625 121.223 0.063 0.000 2.201 242 L HA -0.104 4.237 4.340 0.002 0.000 0.212 242 L C 1.671 178.589 176.870 0.080 0.000 1.105 242 L CA 0.924 55.807 54.840 0.071 0.000 0.775 242 L CB -0.495 41.606 42.059 0.069 0.000 0.913 242 L HN 0.255 nan 8.230 nan 0.000 0.440 243 N N 0.180 118.928 118.700 0.080 0.000 2.188 243 N HA -0.149 4.592 4.740 0.002 0.000 0.184 243 N C 1.702 177.258 175.510 0.076 0.000 1.018 243 N CA 1.038 54.139 53.050 0.084 0.000 0.858 243 N CB 0.002 38.542 38.487 0.089 0.000 0.989 243 N HN 0.415 nan 8.380 nan 0.000 0.426 244 E N 0.566 120.807 120.200 0.069 0.000 2.028 244 E HA -0.032 4.319 4.350 0.002 0.000 0.191 244 E C 2.007 178.650 176.600 0.072 0.000 0.988 244 E CA 0.720 57.156 56.400 0.060 0.000 0.799 244 E CB -0.041 29.690 29.700 0.053 0.000 0.755 244 E HN 0.295 nan 8.360 nan 0.000 0.447 245 I N 0.779 121.403 120.570 0.091 0.000 2.179 245 I HA -0.178 3.993 4.170 0.002 0.000 0.242 245 I C 2.558 178.792 176.117 0.195 0.000 1.088 245 I CA 1.296 62.678 61.300 0.138 0.000 1.357 245 I CB -0.582 37.490 38.000 0.120 0.000 1.051 245 I HN 0.180 nan 8.210 nan 0.000 0.409 246 G N 0.376 109.258 108.800 0.137 0.000 2.408 246 G HA2 -0.134 3.827 3.960 0.002 0.000 0.217 246 G HA3 -0.134 3.827 3.960 0.002 0.000 0.217 246 G C 1.712 176.676 174.900 0.108 0.000 1.150 246 G CA 0.739 45.917 45.100 0.131 0.000 0.776 246 G HN 0.496 nan 8.290 nan 0.000 0.542 247 G N 0.493 109.339 108.800 0.077 0.000 2.418 247 G HA2 -0.233 3.728 3.960 0.002 0.000 0.217 247 G HA3 -0.233 3.728 3.960 0.002 0.000 0.217 247 G C 1.780 176.680 174.900 0.001 0.000 1.158 247 G CA 0.998 46.122 45.100 0.040 0.000 0.771 247 G HN 0.470 nan 8.290 nan 0.000 0.545 248 R N -0.349 120.140 120.500 -0.018 0.000 2.127 248 R HA -0.105 4.236 4.340 0.002 0.000 0.238 248 R C 1.968 178.116 176.300 -0.254 0.000 1.134 248 R CA 1.483 57.498 56.100 -0.140 0.000 0.975 248 R CB -0.267 29.914 30.300 -0.199 0.000 0.865 248 R HN 0.526 nan 8.270 nan 0.000 0.447 249 H N -1.595 117.456 119.070 -0.031 0.000 2.539 249 H HA 0.244 4.801 4.556 0.002 0.000 0.267 249 H C 0.815 176.084 175.328 -0.097 0.000 0.982 249 H CA 0.627 56.639 56.048 -0.061 0.000 1.146 249 H CB 0.894 30.634 29.762 -0.037 0.000 1.382 249 H HN 0.490 nan 8.280 nan 0.000 0.577 250 G N 1.204 109.990 108.800 -0.022 0.000 2.221 250 G HA2 -0.287 3.674 3.960 0.002 0.000 0.265 250 G HA3 -0.287 3.674 3.960 0.002 0.000 0.265 250 G C 0.416 175.256 174.900 -0.100 0.000 1.041 250 G CA 0.379 45.423 45.100 -0.094 0.000 0.807 250 G HN 0.483 nan 8.290 nan 0.000 0.502 251 V N -3.022 116.872 119.914 -0.034 0.000 2.953 251 V HA 0.875 4.996 4.120 0.002 0.000 0.304 251 V C 1.493 177.571 176.094 -0.028 0.000 1.073 251 V CA 0.201 62.481 62.300 -0.034 0.000 1.064 251 V CB 1.495 33.323 31.823 0.007 0.000 1.047 251 V HN 2.203 nan 8.190 nan 0.000 0.478 252 G N 2.395 111.186 108.800 -0.014 0.000 2.142 252 G HA2 -0.196 3.765 3.960 0.002 0.000 0.225 252 G HA3 -0.196 3.765 3.960 0.002 0.000 0.225 252 G C 0.093 175.003 174.900 0.017 0.000 1.015 252 G CA 0.217 45.333 45.100 0.027 0.000 0.716 252 G HN 0.963 nan 8.290 nan 0.000 0.508 253 R N -0.339 120.119 120.500 -0.071 0.000 2.312 253 R HA 0.643 4.984 4.340 0.002 0.000 0.311 253 R C 0.237 176.541 176.300 0.006 0.000 1.004 253 R CA -0.191 55.852 56.100 -0.096 0.000 0.902 253 R CB 2.118 32.181 30.300 -0.396 0.000 1.073 253 R HN 0.650 nan 8.270 nan 0.000 0.457 254 V N -1.284 118.701 119.914 0.119 0.000 2.876 254 V HA 0.530 4.651 4.120 0.002 0.000 0.312 254 V C -1.052 175.103 176.094 0.101 0.000 1.085 254 V CA -0.916 61.435 62.300 0.084 0.000 0.945 254 V CB 2.362 34.286 31.823 0.168 0.000 1.017 254 V HN 0.675 nan 8.190 nan 0.000 0.428 255 D N 3.780 124.161 120.400 -0.032 0.000 2.473 255 D HA 0.624 5.265 4.640 0.002 0.000 0.253 255 D C -0.766 175.489 176.300 -0.074 0.000 1.233 255 D CA -0.137 53.841 54.000 -0.038 0.000 0.908 255 D CB 1.590 42.349 40.800 -0.069 0.000 1.170 255 D HN 0.947 nan 8.370 nan 0.000 0.558 256 I N -0.382 120.195 120.570 0.013 0.000 2.969 256 I HA 0.610 4.781 4.170 0.002 0.000 0.307 256 I C -1.250 174.904 176.117 0.061 0.000 1.149 256 I CA -1.070 60.246 61.300 0.027 0.000 1.008 256 I CB 2.398 40.457 38.000 0.099 0.000 1.232 256 I HN -0.083 nan 8.210 nan 0.000 0.435 257 V N 3.975 123.925 119.914 0.060 0.000 2.311 257 V HA 0.308 4.429 4.120 0.002 0.000 0.275 257 V C 0.144 176.291 176.094 0.089 0.000 1.022 257 V CA -0.315 62.028 62.300 0.071 0.000 0.830 257 V CB 0.839 32.700 31.823 0.063 0.000 1.012 257 V HN 0.902 nan 8.190 nan 0.000 0.452 258 E N 4.679 124.951 120.200 0.120 0.000 2.239 258 E HA 0.432 4.783 4.350 0.002 0.000 0.261 258 E C -0.931 175.781 176.600 0.186 0.000 1.016 258 E CA -1.022 55.462 56.400 0.141 0.000 0.882 258 E CB 1.471 31.286 29.700 0.191 0.000 1.190 258 E HN 0.477 nan 8.360 nan 0.000 0.415 259 N N 1.713 120.548 118.700 0.225 0.000 2.437 259 N HA 0.205 4.946 4.740 0.002 0.000 0.259 259 N C -0.567 175.246 175.510 0.505 0.000 0.983 259 N CA -0.361 52.864 53.050 0.292 0.000 0.937 259 N CB 1.366 40.001 38.487 0.248 0.000 1.122 259 N HN 0.316 nan 8.380 nan 0.000 0.499 260 R N 0.739 121.504 120.500 0.441 0.000 2.615 260 R HA 0.136 4.477 4.340 0.002 0.000 0.270 260 R C 1.064 177.669 176.300 0.508 0.000 1.081 260 R CA -0.502 55.903 56.100 0.509 0.000 1.154 260 R CB 0.615 31.072 30.300 0.261 0.000 1.063 260 R HN 0.449 nan 8.270 nan 0.000 0.519 261 F N 2.034 122.137 119.950 0.255 0.000 2.234 261 F HA -0.119 4.409 4.527 0.002 0.000 0.299 261 F C 1.723 177.488 175.800 -0.058 0.000 1.087 261 F CA 1.246 59.232 58.000 -0.024 0.000 1.340 261 F CB -0.168 38.722 39.000 -0.183 0.000 1.031 261 F HN 0.310 nan 8.300 nan 0.000 0.500 262 V N -1.507 118.399 119.914 -0.015 0.000 3.444 262 V HA 0.321 4.442 4.120 0.002 0.000 0.271 262 V C 1.736 177.795 176.094 -0.059 0.000 1.188 262 V CA 0.947 63.169 62.300 -0.131 0.000 1.168 262 V CB -0.829 30.951 31.823 -0.072 0.000 0.810 262 V HN 0.586 nan 8.190 nan 0.000 0.500 263 G N -0.162 108.655 108.800 0.028 0.000 2.253 263 G HA2 -0.191 3.770 3.960 0.002 0.000 0.209 263 G HA3 -0.191 3.770 3.960 0.002 0.000 0.209 263 G C 0.046 174.994 174.900 0.080 0.000 0.997 263 G CA 0.088 45.218 45.100 0.050 0.000 0.640 263 G HN 0.753 nan 8.290 nan 0.000 0.496 264 M N 0.360 120.014 119.600 0.090 0.000 2.644 264 M HA 0.784 5.265 4.480 0.002 0.000 0.316 264 M C -0.352 176.019 176.300 0.118 0.000 1.200 264 M CA -0.812 54.541 55.300 0.087 0.000 0.944 264 M CB 1.035 33.672 32.600 0.063 0.000 1.691 264 M HN 0.028 nan 8.290 nan 0.000 0.471 265 K N 1.134 121.594 120.400 0.101 0.000 2.185 265 K HA 0.494 4.815 4.320 0.002 0.000 0.271 265 K C -0.539 176.119 176.600 0.098 0.000 1.013 265 K CA -0.247 56.105 56.287 0.109 0.000 0.943 265 K CB 1.215 33.767 32.500 0.087 0.000 0.998 265 K HN 0.772 nan 8.250 nan 0.000 0.468 266 S N 1.400 117.166 115.700 0.109 0.000 2.546 266 S HA 0.238 4.709 4.470 0.002 0.000 0.272 266 S C -1.321 173.324 174.600 0.076 0.000 1.140 266 S CA -0.923 57.329 58.200 0.087 0.000 0.920 266 S CB 1.174 64.433 63.200 0.099 0.000 1.083 266 S HN 0.515 nan 8.310 nan 0.000 0.476 267 R N 2.890 123.414 120.500 0.041 0.000 2.210 267 R HA 0.486 4.827 4.340 0.002 0.000 0.338 267 R C 0.008 176.289 176.300 -0.031 0.000 1.062 267 R CA 0.004 56.113 56.100 0.016 0.000 0.902 267 R CB 0.232 30.534 30.300 0.004 0.000 1.050 267 R HN 0.785 nan 8.270 nan 0.000 0.461 268 G N 2.214 110.994 108.800 -0.033 0.000 2.495 268 G HA2 0.511 4.472 3.960 0.002 0.000 0.318 268 G HA3 0.511 4.472 3.960 0.002 0.000 0.318 268 G C -1.303 173.375 174.900 -0.370 0.000 1.257 268 G CA -0.388 44.579 45.100 -0.222 0.000 0.962 268 G HN 0.369 nan 8.290 nan 0.000 0.483 269 V N 1.812 121.349 119.914 -0.629 0.000 2.495 269 V HA 0.580 4.701 4.120 0.002 0.000 0.298 269 V C -1.158 174.607 176.094 -0.549 0.000 1.031 269 V CA -0.675 61.386 62.300 -0.398 0.000 0.871 269 V CB 0.934 32.569 31.823 -0.313 0.000 0.988 269 V HN 0.679 nan 8.190 nan 0.000 0.432 270 Y N 2.077 122.502 120.300 0.208 0.000 2.512 270 Y HA 0.627 5.178 4.550 0.002 0.000 0.348 270 Y C 0.096 176.177 175.900 0.301 0.000 0.990 270 Y CA -1.110 57.144 58.100 0.257 0.000 1.033 270 Y CB 1.990 40.638 38.460 0.313 0.000 1.259 270 Y HN 0.734 nan 8.280 nan 0.000 0.461 271 E N 0.055 120.523 120.200 0.447 0.000 2.218 271 E HA 0.628 4.979 4.350 0.002 0.000 0.263 271 E C -1.351 175.428 176.600 0.298 0.000 0.879 271 E CA -1.066 55.516 56.400 0.303 0.000 0.762 271 E CB 1.778 31.660 29.700 0.304 0.000 1.166 271 E HN 0.529 nan 8.360 nan 0.000 0.415 272 T N 4.670 119.363 114.554 0.232 0.000 3.542 272 T HA 0.199 4.550 4.350 0.002 0.000 0.276 272 T C -1.924 172.859 174.700 0.138 0.000 1.412 272 T CA -1.104 61.126 62.100 0.217 0.000 1.664 272 T CB 0.778 69.772 68.868 0.210 0.000 0.863 272 T HN 0.380 nan 8.240 nan 0.000 0.661 273 P HA -0.168 nan 4.420 nan 0.000 0.212 273 P C 1.852 179.211 177.300 0.098 0.000 1.178 273 P CA 1.506 64.661 63.100 0.091 0.000 0.915 273 P CB -0.095 31.655 31.700 0.083 0.000 0.788 274 G N -0.376 108.485 108.800 0.103 0.000 2.402 274 G HA2 -0.175 3.786 3.960 0.002 0.000 0.216 274 G HA3 -0.175 3.786 3.960 0.002 0.000 0.216 274 G C 1.974 176.935 174.900 0.101 0.000 1.162 274 G CA 1.017 46.176 45.100 0.098 0.000 0.777 274 G HN 0.428 nan 8.290 nan 0.000 0.539 275 G N 0.134 108.995 108.800 0.100 0.000 2.422 275 G HA2 -0.140 3.821 3.960 0.002 0.000 0.218 275 G HA3 -0.140 3.821 3.960 0.002 0.000 0.218 275 G C 1.823 176.781 174.900 0.097 0.000 1.146 275 G CA 1.713 46.866 45.100 0.089 0.000 0.769 275 G HN 0.383 nan 8.290 nan 0.000 0.547 276 T N 1.197 115.807 114.554 0.095 0.000 2.821 276 T HA -0.000 4.351 4.350 0.002 0.000 0.267 276 T C 2.376 177.178 174.700 0.169 0.000 1.046 276 T CA 0.764 62.922 62.100 0.097 0.000 1.139 276 T CB -0.109 68.821 68.868 0.103 0.000 0.871 276 T HN 0.249 nan 8.240 nan 0.000 0.454 277 I N 0.743 121.408 120.570 0.158 0.000 2.179 277 I HA -0.132 4.039 4.170 0.002 0.000 0.242 277 I C 2.249 178.471 176.117 0.175 0.000 1.088 277 I CA 1.226 62.629 61.300 0.172 0.000 1.357 277 I CB -0.387 37.685 38.000 0.120 0.000 1.051 277 I HN 0.202 nan 8.210 nan 0.000 0.409 278 L N -0.520 120.793 121.223 0.149 0.000 2.083 278 L HA -0.268 4.073 4.340 0.002 0.000 0.209 278 L C 2.674 179.621 176.870 0.128 0.000 1.083 278 L CA 1.453 56.398 54.840 0.175 0.000 0.752 278 L CB -0.736 41.398 42.059 0.126 0.000 0.899 278 L HN 0.270 nan 8.230 nan 0.000 0.433 279 Y N 0.224 120.485 120.300 -0.066 0.000 2.097 279 Y HA -0.309 4.242 4.550 0.002 0.000 0.282 279 Y C 2.849 178.592 175.900 -0.262 0.000 1.152 279 Y CA 1.884 59.854 58.100 -0.217 0.000 1.136 279 Y CB -0.196 38.046 38.460 -0.364 0.000 0.975 279 Y HN 0.201 nan 8.280 nan 0.000 0.498 280 H N -0.712 118.415 119.070 0.096 0.000 2.428 280 H HA 0.056 4.613 4.556 0.002 0.000 0.296 280 H C 2.324 177.605 175.328 -0.078 0.000 1.062 280 H CA 0.994 57.041 56.048 -0.002 0.000 1.350 280 H CB -0.621 29.194 29.762 0.088 0.000 1.403 280 H HN 0.516 nan 8.280 nan 0.000 0.533 281 A N 1.565 124.441 122.820 0.094 0.000 1.877 281 A HA -0.185 4.135 4.320 0.002 0.000 0.216 281 A C 2.518 179.962 177.584 -0.233 0.000 1.186 281 A CA 1.546 53.640 52.037 0.094 0.000 0.620 281 A CB -0.502 18.703 19.000 0.342 0.000 0.822 281 A HN 0.314 nan 8.150 nan 0.000 0.443 282 R N -0.357 119.870 120.500 -0.455 0.000 2.083 282 R HA -0.143 4.198 4.340 0.002 0.000 0.237 282 R C 2.334 178.268 176.300 -0.610 0.000 1.137 282 R CA 1.700 57.225 56.100 -0.957 0.000 0.951 282 R CB -0.313 29.591 30.300 -0.659 0.000 0.851 282 R HN 0.503 nan 8.270 nan 0.000 0.434 283 R N -0.099 120.126 120.500 -0.459 0.000 2.120 283 R HA -0.080 4.261 4.340 0.002 0.000 0.234 283 R C 2.307 178.471 176.300 -0.227 0.000 1.123 283 R CA 1.159 57.056 56.100 -0.338 0.000 0.975 283 R CB -0.284 29.826 30.300 -0.316 0.000 0.866 283 R HN 0.316 nan 8.270 nan 0.000 0.446 284 A N 0.699 123.406 122.820 -0.189 0.000 1.902 284 A HA -0.102 4.219 4.320 0.002 0.000 0.217 284 A C 2.327 179.820 177.584 -0.151 0.000 1.181 284 A CA 1.294 53.258 52.037 -0.121 0.000 0.623 284 A CB -0.417 18.549 19.000 -0.057 0.000 0.818 284 A HN 0.108 nan 8.150 nan 0.000 0.443 285 V N 0.218 119.990 119.914 -0.237 0.000 2.427 285 V HA -0.228 3.893 4.120 0.002 0.000 0.248 285 V C 2.300 178.268 176.094 -0.210 0.000 1.051 285 V CA 2.097 64.264 62.300 -0.221 0.000 1.048 285 V CB -0.856 30.770 31.823 -0.329 0.000 0.666 285 V HN 0.632 nan 8.190 nan 0.000 0.456 286 E N 0.873 120.917 120.200 -0.261 0.000 2.204 286 E HA -0.175 4.176 4.350 0.002 0.000 0.195 286 E C 2.272 178.791 176.600 -0.136 0.000 0.990 286 E CA 1.437 57.714 56.400 -0.204 0.000 0.821 286 E CB -0.238 29.327 29.700 -0.225 0.000 0.750 286 E HN 0.751 nan 8.360 nan 0.000 0.477 287 S N 0.378 116.004 115.700 -0.123 0.000 2.469 287 S HA -0.072 4.399 4.470 0.002 0.000 0.238 287 S C 1.805 176.365 174.600 -0.065 0.000 0.998 287 S CA 0.693 58.843 58.200 -0.084 0.000 0.957 287 S CB -0.093 63.058 63.200 -0.082 0.000 0.764 287 S HN 0.198 nan 8.310 nan 0.000 0.514 288 L N 0.787 121.969 121.223 -0.068 0.000 2.537 288 L HA 0.153 4.494 4.340 0.002 0.000 0.224 288 L C 2.501 179.351 176.870 -0.033 0.000 1.065 288 L CA 1.067 55.889 54.840 -0.030 0.000 0.860 288 L CB -0.284 41.762 42.059 -0.022 0.000 1.086 288 L HN 0.504 nan 8.230 nan 0.000 0.482 289 T N -2.579 111.933 114.554 -0.068 0.000 3.044 289 T HA 0.280 4.631 4.350 0.002 0.000 0.250 289 T C 0.634 175.280 174.700 -0.090 0.000 1.081 289 T CA -0.038 62.015 62.100 -0.078 0.000 1.040 289 T CB 0.120 68.928 68.868 -0.100 0.000 0.962 289 T HN -0.051 nan 8.240 nan 0.000 0.506 290 L N 2.219 123.388 121.223 -0.090 0.000 2.325 290 L HA 0.476 4.816 4.340 0.002 0.000 0.278 290 L C 0.028 176.853 176.870 -0.075 0.000 1.023 290 L CA -1.097 53.689 54.840 -0.090 0.000 0.811 290 L CB 1.592 43.593 42.059 -0.097 0.000 1.249 290 L HN 0.260 nan 8.230 nan 0.000 0.431 291 D N 2.683 123.039 120.400 -0.073 0.000 2.372 291 D HA -0.007 4.634 4.640 0.002 0.000 0.243 291 D C 0.987 177.218 176.300 -0.114 0.000 1.121 291 D CA -0.163 53.792 54.000 -0.075 0.000 0.898 291 D CB 1.389 42.154 40.800 -0.059 0.000 1.202 291 D HN 0.529 nan 8.370 nan 0.000 0.428 292 R N 1.990 122.399 120.500 -0.152 0.000 2.097 292 R HA -0.185 4.156 4.340 0.002 0.000 0.236 292 R C 1.644 177.656 176.300 -0.481 0.000 1.135 292 R CA 1.557 57.467 56.100 -0.316 0.000 0.934 292 R CB -0.017 30.123 30.300 -0.267 0.000 0.846 292 R HN 0.540 nan 8.270 nan 0.000 0.431 293 E N 0.089 120.127 120.200 -0.269 0.000 2.110 293 E HA -0.143 4.208 4.350 0.002 0.000 0.193 293 E C 2.124 178.693 176.600 -0.052 0.000 0.988 293 E CA 1.142 57.447 56.400 -0.158 0.000 0.804 293 E CB -0.259 29.410 29.700 -0.053 0.000 0.745 293 E HN 0.249 nan 8.360 nan 0.000 0.458 294 V N 1.612 121.505 119.914 -0.035 0.000 2.343 294 V HA -0.236 3.885 4.120 0.002 0.000 0.247 294 V C 2.462 178.593 176.094 0.061 0.000 1.051 294 V CA 1.469 63.791 62.300 0.037 0.000 1.036 294 V CB -0.540 31.281 31.823 -0.003 0.000 0.654 294 V HN 0.167 nan 8.190 nan 0.000 0.451 295 L N 0.167 121.390 121.223 -0.001 0.000 1.989 295 L HA -0.218 4.123 4.340 0.002 0.000 0.211 295 L C 2.397 179.378 176.870 0.185 0.000 1.071 295 L CA 2.178 57.052 54.840 0.057 0.000 0.749 295 L CB -1.051 41.023 42.059 0.025 0.000 0.890 295 L HN 0.464 nan 8.230 nan 0.000 0.431 296 H N -1.786 117.310 119.070 0.044 0.000 2.387 296 H HA -0.203 4.354 4.556 0.002 0.000 0.299 296 H C 2.142 177.505 175.328 0.059 0.000 1.099 296 H CA 1.088 57.162 56.048 0.043 0.000 1.315 296 H CB 0.176 29.958 29.762 0.034 0.000 1.380 296 H HN 0.433 nan 8.280 nan 0.000 0.513 297 Q N 1.118 121.040 119.800 0.204 0.000 2.046 297 Q HA -0.125 4.216 4.340 0.002 0.000 0.200 297 Q C 2.399 178.508 176.000 0.182 0.000 0.975 297 Q CA 1.063 56.951 55.803 0.141 0.000 0.836 297 Q CB -0.069 28.744 28.738 0.127 0.000 0.896 297 Q HN 0.097 nan 8.270 nan 0.000 0.428 298 R N 0.498 121.177 120.500 0.299 0.000 2.096 298 R HA -0.156 4.185 4.340 0.002 0.000 0.240 298 R C 1.278 177.763 176.300 0.309 0.000 1.139 298 R CA 2.030 58.383 56.100 0.421 0.000 0.952 298 R CB -0.787 29.704 30.300 0.317 0.000 0.854 298 R HN 0.382 nan 8.270 nan 0.000 0.436 299 D N -0.024 120.488 120.400 0.185 0.000 2.218 299 D HA -0.119 4.522 4.640 0.002 0.000 0.204 299 D C 1.816 178.175 176.300 0.100 0.000 0.976 299 D CA 1.026 55.096 54.000 0.116 0.000 0.853 299 D CB -0.078 40.768 40.800 0.077 0.000 0.939 299 D HN 0.296 nan 8.370 nan 0.000 0.481 300 M N -0.587 119.073 119.600 0.099 0.000 2.562 300 M HA 0.049 4.530 4.480 0.002 0.000 0.257 300 M C 1.538 177.885 176.300 0.078 0.000 1.099 300 M CA 0.498 55.835 55.300 0.062 0.000 1.099 300 M CB 0.379 33.000 32.600 0.035 0.000 1.427 300 M HN -0.010 nan 8.290 nan 0.000 0.489 301 L N -1.774 119.535 121.223 0.144 0.000 2.463 301 L HA 0.067 4.408 4.340 0.002 0.000 0.219 301 L C 2.313 179.396 176.870 0.356 0.000 1.088 301 L CA 0.044 55.003 54.840 0.200 0.000 0.849 301 L CB -0.145 41.982 42.059 0.113 0.000 1.012 301 L HN 0.130 nan 8.230 nan 0.000 0.468 302 S N 0.968 116.839 115.700 0.286 0.000 2.365 302 S HA -0.127 4.344 4.470 0.002 0.000 0.225 302 S C -0.565 174.112 174.600 0.129 0.000 1.039 302 S CA 1.705 59.973 58.200 0.112 0.000 1.033 302 S CB -0.984 62.212 63.200 -0.006 0.000 0.887 302 S HN 0.282 nan 8.310 nan 0.000 0.447 303 P HA -0.101 nan 4.420 nan 0.000 0.216 303 P C 1.341 178.698 177.300 0.095 0.000 1.150 303 P CA 1.148 64.285 63.100 0.063 0.000 0.837 303 P CB 0.053 31.762 31.700 0.015 0.000 0.786 304 K N -0.704 119.769 120.400 0.123 0.000 2.026 304 K HA -0.190 4.131 4.320 0.002 0.000 0.208 304 K C 2.179 178.867 176.600 0.146 0.000 1.048 304 K CA 1.498 57.849 56.287 0.108 0.000 0.929 304 K CB -1.555 31.008 32.500 0.105 0.000 0.713 304 K HN 0.066 nan 8.250 nan 0.000 0.439 305 Y N 0.294 120.662 120.300 0.113 0.000 2.207 305 Y HA -0.204 4.347 4.550 0.001 0.000 0.287 305 Y C 1.862 177.797 175.900 0.057 0.000 1.156 305 Y CA 1.888 60.062 58.100 0.124 0.000 1.182 305 Y CB -0.419 38.154 38.460 0.189 0.000 0.979 305 Y HN 0.155 nan 8.280 nan 0.000 0.521 306 A N 0.844 123.808 122.820 0.240 0.000 1.877 306 A HA -0.255 4.066 4.320 0.002 0.000 0.216 306 A C 2.159 179.760 177.584 0.029 0.000 1.186 306 A CA 1.917 54.044 52.037 0.149 0.000 0.620 306 A CB -0.956 18.146 19.000 0.170 0.000 0.822 306 A HN 0.746 nan 8.150 nan 0.000 0.443 307 E N 0.115 120.310 120.200 -0.007 0.000 2.106 307 E HA -0.152 4.199 4.350 0.002 0.000 0.192 307 E C 1.902 178.184 176.600 -0.529 0.000 0.984 307 E CA 1.159 57.364 56.400 -0.324 0.000 0.806 307 E CB -0.521 28.987 29.700 -0.320 0.000 0.750 307 E HN 0.575 nan 8.360 nan 0.000 0.458 308 L N 1.067 122.148 121.223 -0.238 0.000 2.012 308 L HA -0.181 4.160 4.340 0.002 0.000 0.210 308 L C 2.676 179.526 176.870 -0.033 0.000 1.073 308 L CA 1.073 55.861 54.840 -0.086 0.000 0.748 308 L CB -0.441 41.551 42.059 -0.113 0.000 0.891 308 L HN 0.103 nan 8.230 nan 0.000 0.431 309 V N -1.041 118.799 119.914 -0.123 0.000 2.295 309 V HA -0.343 3.778 4.120 0.002 0.000 0.246 309 V C 2.227 178.269 176.094 -0.086 0.000 1.049 309 V CA 1.927 64.201 62.300 -0.042 0.000 1.024 309 V CB -0.705 31.086 31.823 -0.054 0.000 0.648 309 V HN 0.380 nan 8.190 nan 0.000 0.447 310 Y N -0.098 120.004 120.300 -0.331 0.000 2.165 310 Y HA -0.270 4.281 4.550 0.002 0.000 0.286 310 Y C 2.413 178.194 175.900 -0.198 0.000 1.155 310 Y CA 1.793 59.645 58.100 -0.413 0.000 1.164 310 Y CB -0.326 37.539 38.460 -0.992 0.000 0.978 310 Y HN 0.294 nan 8.280 nan 0.000 0.513 311 Y N -0.477 119.675 120.300 -0.246 0.000 2.439 311 Y HA 0.151 4.702 4.550 0.002 0.000 0.292 311 Y C 2.269 177.923 175.900 -0.410 0.000 1.130 311 Y CA 0.595 58.404 58.100 -0.485 0.000 1.254 311 Y CB -0.700 37.292 38.460 -0.779 0.000 1.000 311 Y HN 0.273 nan 8.280 nan 0.000 0.554 312 G N -1.581 107.138 108.800 -0.134 0.000 2.154 312 G HA2 -0.235 3.726 3.960 0.002 0.000 0.186 312 G HA3 -0.235 3.726 3.960 0.002 0.000 0.186 312 G C -0.067 174.707 174.900 -0.209 0.000 1.000 312 G CA -0.472 44.503 45.100 -0.207 0.000 0.664 312 G HN 0.195 nan 8.290 nan 0.000 0.513 313 F N 1.225 121.202 119.950 0.046 0.000 2.640 313 F HA 0.386 4.914 4.527 0.001 0.000 0.354 313 F C 1.524 177.347 175.800 0.038 0.000 1.213 313 F CA -0.663 57.372 58.000 0.058 0.000 1.314 313 F CB -0.048 38.965 39.000 0.022 0.000 1.679 313 F HN 0.368 nan 8.300 nan 0.000 0.622 314 W N 0.407 121.695 121.300 -0.020 0.000 2.519 314 W HA -0.058 4.603 4.660 0.001 0.000 0.313 314 W C 0.142 176.572 176.519 -0.148 0.000 1.156 314 W CA 0.823 58.077 57.345 -0.153 0.000 1.394 314 W CB -0.324 28.984 29.460 -0.252 0.000 1.154 314 W HN 0.129 nan 8.180 nan 0.000 0.498 315 Y N 1.552 121.935 120.300 0.138 0.000 2.735 315 Y HA 0.414 4.965 4.550 0.002 0.000 0.354 315 Y C 0.381 176.314 175.900 0.055 0.000 1.288 315 Y CA -0.286 57.834 58.100 0.033 0.000 1.836 315 Y CB -0.646 37.905 38.460 0.153 0.000 1.920 315 Y HN -0.104 nan 8.280 nan 0.000 0.438 316 A N 2.020 124.897 122.820 0.096 0.000 2.515 316 A HA 0.498 4.819 4.320 0.002 0.000 0.298 316 A C -2.020 175.586 177.584 0.037 0.000 1.059 316 A CA -1.706 50.413 52.037 0.136 0.000 0.698 316 A CB 1.600 20.755 19.000 0.260 0.000 1.289 316 A HN 0.193 nan 8.150 nan 0.000 0.404 317 P HA -0.210 nan 4.420 nan 0.000 0.215 317 P C 0.645 177.935 177.300 -0.017 0.000 1.153 317 P CA 1.780 64.885 63.100 0.008 0.000 0.853 317 P CB 0.241 31.953 31.700 0.019 0.000 0.788 318 E N 0.095 120.281 120.200 -0.022 0.000 2.058 318 E HA -0.178 4.173 4.350 0.002 0.000 0.194 318 E C 2.404 178.987 176.600 -0.029 0.000 0.997 318 E CA 1.008 57.385 56.400 -0.038 0.000 0.801 318 E CB -0.880 28.778 29.700 -0.071 0.000 0.746 318 E HN 0.158 nan 8.360 nan 0.000 0.450 319 R N 1.054 121.516 120.500 -0.062 0.000 2.066 319 R HA -0.145 4.196 4.340 0.002 0.000 0.232 319 R C 1.852 178.102 176.300 -0.084 0.000 1.131 319 R CA 1.653 57.682 56.100 -0.118 0.000 0.955 319 R CB -0.090 30.032 30.300 -0.297 0.000 0.851 319 R HN 0.303 nan 8.270 nan 0.000 0.432 320 E N -0.143 119.981 120.200 -0.127 0.000 2.150 320 E HA -0.123 4.228 4.350 0.002 0.000 0.193 320 E C 1.918 178.505 176.600 -0.022 0.000 0.985 320 E CA 0.995 57.337 56.400 -0.097 0.000 0.814 320 E CB -0.060 29.585 29.700 -0.092 0.000 0.752 320 E HN 0.404 nan 8.360 nan 0.000 0.466 321 A N 1.335 124.146 122.820 -0.016 0.000 1.873 321 A HA -0.135 4.186 4.320 0.002 0.000 0.215 321 A C 2.190 179.767 177.584 -0.011 0.000 1.186 321 A CA 0.959 52.986 52.037 -0.016 0.000 0.616 321 A CB -0.614 18.368 19.000 -0.030 0.000 0.823 321 A HN 0.133 nan 8.150 nan 0.000 0.442 322 L N -1.043 120.192 121.223 0.020 0.000 2.131 322 L HA -0.221 4.120 4.340 0.002 0.000 0.210 322 L C 2.833 179.732 176.870 0.048 0.000 1.092 322 L CA 1.613 56.447 54.840 -0.010 0.000 0.759 322 L CB -0.402 41.782 42.059 0.208 0.000 0.903 322 L HN 0.474 nan 8.230 nan 0.000 0.435 323 Q N 0.148 120.076 119.800 0.213 0.000 2.170 323 Q HA -0.177 4.164 4.340 0.002 0.000 0.203 323 Q C 2.184 178.250 176.000 0.110 0.000 0.976 323 Q CA 1.829 57.775 55.803 0.238 0.000 0.858 323 Q CB -0.154 28.665 28.738 0.135 0.000 0.907 323 Q HN 0.460 nan 8.270 nan 0.000 0.433 324 A N -0.716 122.133 122.820 0.049 0.000 1.902 324 A HA -0.203 4.118 4.320 0.002 0.000 0.217 324 A C 1.950 179.547 177.584 0.021 0.000 1.181 324 A CA 1.522 53.576 52.037 0.029 0.000 0.623 324 A CB -1.023 17.983 19.000 0.010 0.000 0.818 324 A HN 0.616 nan 8.150 nan 0.000 0.443 325 Y N -0.454 119.743 120.300 -0.171 0.000 2.133 325 Y HA -0.194 4.357 4.550 0.002 0.000 0.287 325 Y C 2.012 177.811 175.900 -0.168 0.000 1.134 325 Y CA 1.820 59.769 58.100 -0.252 0.000 1.133 325 Y CB -0.665 37.506 38.460 -0.483 0.000 0.987 325 Y HN 0.299 nan 8.280 nan 0.000 0.502 326 F N 0.448 120.363 119.950 -0.058 0.000 2.161 326 F HA -0.258 4.270 4.527 0.001 0.000 0.300 326 F C 2.142 177.835 175.800 -0.179 0.000 1.089 326 F CA 1.244 59.137 58.000 -0.179 0.000 1.282 326 F CB -0.322 38.574 39.000 -0.174 0.000 1.010 326 F HN 0.089 nan 8.300 nan 0.000 0.485 327 D N -1.222 119.218 120.400 0.068 0.000 2.144 327 D HA -0.182 4.459 4.640 0.002 0.000 0.200 327 D C 1.843 178.118 176.300 -0.042 0.000 0.978 327 D CA 1.311 55.319 54.000 0.013 0.000 0.833 327 D CB -0.552 40.269 40.800 0.035 0.000 0.961 327 D HN 0.361 nan 8.370 nan 0.000 0.470 328 H N 0.447 119.428 119.070 -0.148 0.000 2.293 328 H HA -0.073 4.484 4.556 0.002 0.000 0.300 328 H C 1.935 177.136 175.328 -0.211 0.000 1.082 328 H CA 1.784 57.729 56.048 -0.173 0.000 1.308 328 H CB -0.245 29.397 29.762 -0.200 0.000 1.375 328 H HN -0.104 nan 8.280 nan 0.000 0.495 329 V N 0.954 120.723 119.914 -0.241 0.000 2.287 329 V HA -0.283 3.838 4.120 0.002 0.000 0.248 329 V C 2.783 178.738 176.094 -0.232 0.000 1.053 329 V CA 1.834 63.970 62.300 -0.273 0.000 1.027 329 V CB -1.369 30.274 31.823 -0.301 0.000 0.646 329 V HN 0.722 nan 8.190 nan 0.000 0.447 330 A N -0.116 122.598 122.820 -0.175 0.000 1.978 330 A HA -0.276 4.045 4.320 0.002 0.000 0.220 330 A C 2.392 179.863 177.584 -0.188 0.000 1.170 330 A CA 1.967 53.908 52.037 -0.161 0.000 0.636 330 A CB -0.691 18.242 19.000 -0.111 0.000 0.810 330 A HN 0.499 nan 8.150 nan 0.000 0.448 331 R N -0.093 120.278 120.500 -0.216 0.000 2.170 331 R HA -0.113 4.228 4.340 0.002 0.000 0.242 331 R C 1.548 177.689 176.300 -0.266 0.000 1.145 331 R CA 1.651 57.605 56.100 -0.244 0.000 0.984 331 R CB -0.219 29.930 30.300 -0.252 0.000 0.869 331 R HN 0.471 nan 8.270 nan 0.000 0.455 332 S N -0.213 115.338 115.700 -0.247 0.000 2.527 332 S HA 0.061 4.532 4.470 0.002 0.000 0.222 332 S C 0.325 174.815 174.600 -0.183 0.000 0.985 332 S CA 0.086 58.160 58.200 -0.210 0.000 0.921 332 S CB 0.621 63.706 63.200 -0.192 0.000 0.772 332 S HN 0.046 nan 8.310 nan 0.000 0.529 333 V N 3.482 123.281 119.914 -0.191 0.000 2.302 333 V HA 0.190 4.311 4.120 0.002 0.000 0.244 333 V C 0.033 176.058 176.094 -0.115 0.000 1.160 333 V CA 0.298 62.492 62.300 -0.178 0.000 1.127 333 V CB -0.552 31.135 31.823 -0.228 0.000 1.253 333 V HN 0.161 nan 8.190 nan 0.000 0.496 334 T N 3.339 117.843 114.554 -0.083 0.000 2.881 334 T HA 0.775 5.126 4.350 0.002 0.000 0.291 334 T C 0.326 175.052 174.700 0.044 0.000 0.990 334 T CA 0.077 62.178 62.100 0.001 0.000 0.976 334 T CB 1.661 70.499 68.868 -0.050 0.000 0.970 334 T HN 0.937 nan 8.240 nan 0.000 0.438 335 G N 1.369 110.238 108.800 0.114 0.000 2.333 335 G HA2 0.458 4.419 3.960 0.002 0.000 0.288 335 G HA3 0.458 4.419 3.960 0.002 0.000 0.288 335 G C -2.140 172.846 174.900 0.144 0.000 1.286 335 G CA -0.539 44.617 45.100 0.094 0.000 0.865 335 G HN 0.691 nan 8.290 nan 0.000 0.506 336 V N 0.335 120.312 119.914 0.106 0.000 2.588 336 V HA 0.794 4.915 4.120 0.002 0.000 0.304 336 V C 0.422 176.577 176.094 0.102 0.000 1.042 336 V CA -0.140 62.234 62.300 0.123 0.000 0.877 336 V CB 1.285 33.157 31.823 0.083 0.000 0.996 336 V HN 1.697 nan 8.190 nan 0.000 0.425 337 A N 4.530 127.435 122.820 0.142 0.000 2.324 337 A HA 0.846 5.167 4.320 0.002 0.000 0.330 337 A C -0.222 177.424 177.584 0.103 0.000 1.165 337 A CA -0.697 51.402 52.037 0.104 0.000 0.813 337 A CB 0.939 20.014 19.000 0.125 0.000 1.197 337 A HN 0.822 nan 8.150 nan 0.000 0.484 338 R N 2.409 122.961 120.500 0.087 0.000 2.360 338 R HA 0.603 4.944 4.340 0.002 0.000 0.318 338 R C -1.794 174.576 176.300 0.116 0.000 0.950 338 R CA -0.416 55.750 56.100 0.109 0.000 0.837 338 R CB 0.517 30.881 30.300 0.107 0.000 1.165 338 R HN 0.657 nan 8.270 nan 0.000 0.458 339 L N 3.008 124.299 121.223 0.112 0.000 2.333 339 L HA 0.540 4.881 4.340 0.002 0.000 0.269 339 L C -0.390 176.477 176.870 -0.005 0.000 1.010 339 L CA -0.670 54.211 54.840 0.070 0.000 0.818 339 L CB 1.791 43.887 42.059 0.062 0.000 1.306 339 L HN 0.434 nan 8.230 nan 0.000 0.430 340 K N 2.399 122.755 120.400 -0.073 0.000 2.339 340 K HA 0.626 4.946 4.320 0.002 0.000 0.264 340 K C -1.505 175.033 176.600 -0.104 0.000 0.986 340 K CA -0.415 55.692 56.287 -0.301 0.000 0.866 340 K CB 0.761 33.037 32.500 -0.373 0.000 1.103 340 K HN 0.534 nan 8.250 nan 0.000 0.441 341 L N 4.925 126.015 121.223 -0.223 0.000 2.295 341 L HA 0.472 4.813 4.340 0.002 0.000 0.285 341 L C -0.932 175.848 176.870 -0.150 0.000 1.035 341 L CA -1.073 53.634 54.840 -0.221 0.000 0.806 341 L CB 0.760 42.560 42.059 -0.433 0.000 1.214 341 L HN 0.615 nan 8.230 nan 0.000 0.426 342 Y N 2.939 123.189 120.300 -0.083 0.000 2.348 342 Y HA 0.185 4.736 4.550 0.002 0.000 0.321 342 Y C -0.464 175.490 175.900 0.091 0.000 1.163 342 Y CA -1.486 56.641 58.100 0.046 0.000 1.070 342 Y CB 1.143 39.649 38.460 0.077 0.000 1.250 342 Y HN 0.547 nan 8.280 nan 0.000 0.425 343 K N 5.118 125.246 120.400 -0.453 0.000 4.444 343 K HA -0.230 4.091 4.320 0.002 0.000 0.281 343 K C 1.050 177.531 176.600 -0.198 0.000 0.817 343 K CA 1.475 57.516 56.287 -0.409 0.000 0.793 343 K CB -1.318 30.758 32.500 -0.706 0.000 1.784 343 K HN 1.363 nan 8.250 nan 0.000 0.424 344 G N -0.026 108.703 108.800 -0.119 0.000 2.284 344 G HA2 -0.306 3.655 3.960 0.002 0.000 0.247 344 G HA3 -0.306 3.655 3.960 0.002 0.000 0.247 344 G C 0.073 174.900 174.900 -0.122 0.000 1.012 344 G CA 0.227 45.258 45.100 -0.115 0.000 0.618 344 G HN 0.510 nan 8.290 nan 0.000 0.521 345 N N -0.044 118.572 118.700 -0.141 0.000 2.495 345 N HA 0.539 5.280 4.740 0.002 0.000 0.280 345 N C -0.614 174.694 175.510 -0.336 0.000 1.168 345 N CA -0.002 52.845 53.050 -0.338 0.000 0.978 345 N CB 2.176 40.269 38.487 -0.657 0.000 1.191 345 N HN 0.124 nan 8.380 nan 0.000 0.497 346 V N 2.670 122.305 119.914 -0.466 0.000 2.357 346 V HA 0.278 4.399 4.120 0.002 0.000 0.281 346 V C -1.252 174.583 176.094 -0.432 0.000 1.015 346 V CA -0.616 61.508 62.300 -0.292 0.000 0.827 346 V CB -0.055 31.702 31.823 -0.110 0.000 1.018 346 V HN 0.499 nan 8.190 nan 0.000 0.432 347 Y N 2.940 123.169 120.300 -0.118 0.000 2.330 347 Y HA 0.536 5.087 4.550 0.002 0.000 0.336 347 Y C 0.335 176.184 175.900 -0.086 0.000 1.036 347 Y CA -0.940 57.089 58.100 -0.117 0.000 1.125 347 Y CB 1.730 40.130 38.460 -0.100 0.000 1.194 347 Y HN 0.336 nan 8.280 nan 0.000 0.469 348 V N 4.818 124.775 119.914 0.072 0.000 2.488 348 V HA 0.063 4.184 4.120 0.002 0.000 0.277 348 V C 0.681 176.815 176.094 0.067 0.000 1.046 348 V CA -0.033 62.301 62.300 0.057 0.000 0.986 348 V CB 0.856 32.696 31.823 0.030 0.000 0.989 348 V HN 0.839 nan 8.190 nan 0.000 0.475 349 V N 1.831 121.789 119.914 0.073 0.000 3.502 349 V HA 0.767 4.888 4.120 0.002 0.000 0.288 349 V C 0.577 176.701 176.094 0.050 0.000 1.461 349 V CA 0.657 62.999 62.300 0.070 0.000 1.029 349 V CB 0.275 32.176 31.823 0.130 0.000 0.843 349 V HN 0.940 nan 8.190 nan 0.000 0.438 350 G N 0.999 109.825 108.800 0.044 0.000 2.579 350 G HA2 0.676 4.637 3.960 0.002 0.000 0.292 350 G HA3 0.676 4.637 3.960 0.002 0.000 0.292 350 G C -1.689 173.220 174.900 0.014 0.000 1.484 350 G CA -0.636 44.475 45.100 0.019 0.000 0.813 350 G HN 0.595 nan 8.290 nan 0.000 0.515 351 R N 0.081 120.576 120.500 -0.009 0.000 2.629 351 R HA 0.702 5.043 4.340 0.002 0.000 0.266 351 R C -1.313 174.982 176.300 -0.009 0.000 1.051 351 R CA -0.982 55.113 56.100 -0.008 0.000 0.895 351 R CB 1.305 31.584 30.300 -0.035 0.000 1.246 351 R HN 0.990 nan 8.270 nan 0.000 0.459 352 K N 0.646 121.052 120.400 0.009 0.000 2.533 352 K HA 0.905 5.226 4.320 0.002 0.000 0.272 352 K C -1.608 175.006 176.600 0.024 0.000 0.985 352 K CA -0.932 55.367 56.287 0.019 0.000 0.876 352 K CB 2.637 35.153 32.500 0.026 0.000 1.452 352 K HN 0.821 nan 8.250 nan 0.000 0.439 353 A N 1.242 124.079 122.820 0.028 0.000 2.577 353 A HA 0.498 4.819 4.320 0.002 0.000 0.297 353 A C -2.579 175.021 177.584 0.028 0.000 1.060 353 A CA -1.147 50.905 52.037 0.026 0.000 0.697 353 A CB 1.398 20.402 19.000 0.007 0.000 1.281 353 A HN 0.587 nan 8.150 nan 0.000 0.402 354 P HA -0.060 nan 4.420 nan 0.000 0.215 354 P C 0.390 177.699 177.300 0.015 0.000 1.153 354 P CA 1.426 64.543 63.100 0.028 0.000 0.853 354 P CB 0.195 31.919 31.700 0.041 0.000 0.788 355 K N -0.460 119.944 120.400 0.006 0.000 3.109 355 K HA 0.231 4.552 4.320 0.002 0.000 0.214 355 K C 0.044 176.640 176.600 -0.008 0.000 1.196 355 K CA -0.215 56.068 56.287 -0.006 0.000 1.115 355 K CB 0.313 32.801 32.500 -0.019 0.000 1.103 355 K HN -0.059 nan 8.250 nan 0.000 0.467 356 S N 0.589 116.294 115.700 0.009 0.000 2.552 356 S HA 0.067 4.538 4.470 0.002 0.000 0.289 356 S C 0.977 175.591 174.600 0.023 0.000 1.304 356 S CA -0.314 57.901 58.200 0.024 0.000 1.063 356 S CB 0.403 63.641 63.200 0.062 0.000 0.848 356 S HN 0.424 nan 8.310 nan 0.000 0.499 357 L N 4.118 125.358 121.223 0.027 0.000 2.592 357 L HA 0.229 4.570 4.340 0.002 0.000 0.227 357 L C 0.286 177.181 176.870 0.042 0.000 1.127 357 L CA -0.171 54.677 54.840 0.013 0.000 0.884 357 L CB -0.298 41.758 42.059 -0.004 0.000 1.065 357 L HN 0.707 nan 8.230 nan 0.000 0.457 358 Y N 2.189 122.464 120.300 -0.043 0.000 2.377 358 Y HA 0.286 4.837 4.550 0.002 0.000 0.330 358 Y C 0.101 175.976 175.900 -0.041 0.000 1.108 358 Y CA -0.637 57.437 58.100 -0.043 0.000 1.308 358 Y CB 0.371 38.808 38.460 -0.038 0.000 1.216 358 Y HN -0.042 nan 8.280 nan 0.000 0.518 359 R N 6.347 126.356 120.500 -0.818 0.000 2.422 359 R HA 0.084 4.425 4.340 0.002 0.000 0.307 359 R C 0.581 176.361 176.300 -0.866 0.000 1.004 359 R CA -0.498 55.206 56.100 -0.660 0.000 0.882 359 R CB 1.599 31.704 30.300 -0.324 0.000 1.164 359 R HN 0.939 nan 8.270 nan 0.000 0.489 360 Q N 1.806 121.136 119.800 -0.783 0.000 2.226 360 Q HA -0.174 4.167 4.340 0.002 0.000 0.204 360 Q C 0.934 176.780 176.000 -0.257 0.000 0.975 360 Q CA 2.020 57.559 55.803 -0.439 0.000 0.866 360 Q CB 0.351 29.004 28.738 -0.143 0.000 0.915 360 Q HN 0.561 nan 8.270 nan 0.000 0.440 361 D N 0.063 120.322 120.400 -0.235 0.000 2.309 361 D HA -0.191 4.450 4.640 0.002 0.000 0.212 361 D C 1.578 177.757 176.300 -0.200 0.000 0.968 361 D CA 0.739 54.637 54.000 -0.170 0.000 0.882 361 D CB -0.248 40.475 40.800 -0.129 0.000 0.918 361 D HN 0.403 nan 8.370 nan 0.000 0.503 362 L N 0.455 121.528 121.223 -0.251 0.000 2.446 362 L HA 0.014 4.355 4.340 0.002 0.000 0.219 362 L C 2.341 178.992 176.870 -0.364 0.000 1.116 362 L CA 0.333 55.003 54.840 -0.284 0.000 0.844 362 L CB 0.255 42.164 42.059 -0.250 0.000 0.970 362 L HN 0.055 nan 8.230 nan 0.000 0.457 363 V N -6.021 113.724 119.914 -0.281 0.000 3.307 363 V HA 0.165 4.286 4.120 0.002 0.000 0.244 363 V C 1.307 177.237 176.094 -0.273 0.000 1.196 363 V CA -0.106 62.048 62.300 -0.243 0.000 1.132 363 V CB 0.321 32.124 31.823 -0.033 0.000 0.875 363 V HN 0.187 nan 8.190 nan 0.000 0.468 364 S N 0.306 115.900 115.700 -0.177 0.000 2.563 364 S HA 0.405 4.876 4.470 0.002 0.000 0.284 364 S C -0.505 173.975 174.600 -0.202 0.000 1.331 364 S CA -0.167 57.992 58.200 -0.068 0.000 1.047 364 S CB -0.114 63.063 63.200 -0.038 0.000 0.859 364 S HN 0.353 nan 8.310 nan 0.000 0.514 371 Y N 0.720 120.967 120.300 -0.089 0.000 2.474 371 Y HA 0.555 5.106 4.550 0.002 0.000 0.326 371 Y C -2.046 173.805 175.900 -0.082 0.000 1.160 371 Y CA -0.892 57.151 58.100 -0.095 0.000 1.056 371 Y CB 2.562 40.947 38.460 -0.126 0.000 1.330 371 Y HN 0.578 nan 8.280 nan 0.000 0.447 372 D N 5.200 125.300 120.400 -0.501 0.000 2.461 372 D HA 0.186 4.827 4.640 0.002 0.000 0.240 372 D C 0.526 176.647 176.300 -0.300 0.000 1.094 372 D CA -0.133 53.703 54.000 -0.274 0.000 0.868 372 D CB 1.484 42.159 40.800 -0.209 0.000 1.062 372 D HN 0.736 nan 8.370 nan 0.000 0.530 373 Q N 2.767 122.565 119.800 -0.003 0.000 2.165 373 Q HA -0.285 4.056 4.340 0.002 0.000 0.215 373 Q C 1.477 177.479 176.000 0.003 0.000 1.010 373 Q CA 1.511 57.371 55.803 0.096 0.000 0.896 373 Q CB -0.212 28.596 28.738 0.116 0.000 0.956 373 Q HN 0.562 nan 8.270 nan 0.000 0.413 374 K N 0.549 120.934 120.400 -0.026 0.000 2.211 374 K HA -0.188 4.133 4.320 0.002 0.000 0.204 374 K C 1.354 177.928 176.600 -0.044 0.000 1.047 374 K CA 1.429 57.703 56.287 -0.021 0.000 0.935 374 K CB 0.058 32.544 32.500 -0.022 0.000 0.728 374 K HN 0.100 nan 8.250 nan 0.000 0.452 375 D N 0.526 120.852 120.400 -0.124 0.000 2.149 375 D HA -0.155 4.486 4.640 0.002 0.000 0.198 375 D C 1.748 178.023 176.300 -0.042 0.000 0.990 375 D CA 1.314 55.237 54.000 -0.129 0.000 0.839 375 D CB -0.198 40.431 40.800 -0.285 0.000 0.948 375 D HN 0.371 nan 8.370 nan 0.000 0.460 376 A N 0.882 123.680 122.820 -0.038 0.000 1.940 376 A HA -0.253 4.068 4.320 0.002 0.000 0.219 376 A C 2.110 179.786 177.584 0.154 0.000 1.176 376 A CA 1.910 53.998 52.037 0.085 0.000 0.631 376 A CB -0.603 18.468 19.000 0.119 0.000 0.814 376 A HN 0.313 nan 8.150 nan 0.000 0.446 377 E N -0.608 119.647 120.200 0.091 0.000 2.077 377 E HA -0.122 4.229 4.350 0.002 0.000 0.193 377 E C 2.080 178.731 176.600 0.084 0.000 0.989 377 E CA 1.061 57.511 56.400 0.083 0.000 0.800 377 E CB -0.424 29.305 29.700 0.049 0.000 0.746 377 E HN 0.520 nan 8.360 nan 0.000 0.452 378 G N 0.513 109.359 108.800 0.078 0.000 2.418 378 G HA2 -0.294 3.667 3.960 0.002 0.000 0.217 378 G HA3 -0.294 3.667 3.960 0.002 0.000 0.217 378 G C 1.334 176.296 174.900 0.103 0.000 1.158 378 G CA 0.661 45.801 45.100 0.067 0.000 0.771 378 G HN 0.368 nan 8.290 nan 0.000 0.545 379 F N 1.603 121.548 119.950 -0.008 0.000 2.043 379 F HA -0.140 4.388 4.527 0.002 0.000 0.297 379 F C 2.537 178.344 175.800 0.010 0.000 1.121 379 F CA 1.670 59.672 58.000 0.002 0.000 1.199 379 F CB -0.361 38.645 39.000 0.011 0.000 0.968 379 F HN 0.110 nan 8.300 nan 0.000 0.478 380 I N 0.266 120.904 120.570 0.112 0.000 2.163 380 I HA -0.355 3.816 4.170 0.002 0.000 0.243 380 I C 2.475 178.550 176.117 -0.070 0.000 1.085 380 I CA 1.379 62.672 61.300 -0.012 0.000 1.347 380 I CB -0.588 37.470 38.000 0.098 0.000 1.044 380 I HN 0.115 nan 8.210 nan 0.000 0.408 381 K N 0.574 120.959 120.400 -0.024 0.000 2.032 381 K HA -0.156 4.165 4.320 0.002 0.000 0.209 381 K C 2.066 178.629 176.600 -0.063 0.000 1.048 381 K CA 1.454 57.722 56.287 -0.030 0.000 0.927 381 K CB -0.386 32.110 32.500 -0.007 0.000 0.712 381 K HN 0.291 nan 8.250 nan 0.000 0.441 382 I N 1.742 122.261 120.570 -0.085 0.000 2.202 382 I HA -0.226 3.945 4.170 0.002 0.000 0.242 382 I C 2.352 178.379 176.117 -0.150 0.000 1.091 382 I CA 1.258 62.498 61.300 -0.101 0.000 1.368 382 I CB -1.155 36.789 38.000 -0.093 0.000 1.058 382 I HN 0.218 nan 8.210 nan 0.000 0.410 383 Q N 0.573 120.218 119.800 -0.258 0.000 2.181 383 Q HA -0.114 4.227 4.340 0.002 0.000 0.205 383 Q C 2.238 178.146 176.000 -0.153 0.000 0.980 383 Q CA 1.783 57.419 55.803 -0.278 0.000 0.862 383 Q CB -0.297 28.164 28.738 -0.462 0.000 0.905 383 Q HN 0.564 nan 8.270 nan 0.000 0.429 384 A N 0.180 122.930 122.820 -0.116 0.000 2.178 384 A HA -0.027 4.294 4.320 0.002 0.000 0.211 384 A C 1.987 179.541 177.584 -0.050 0.000 1.157 384 A CA 0.142 52.139 52.037 -0.067 0.000 0.780 384 A CB -0.253 18.719 19.000 -0.046 0.000 0.828 384 A HN 0.270 nan 8.150 nan 0.000 0.476 385 L N 1.566 122.756 121.223 -0.054 0.000 1.978 385 L HA -0.271 4.070 4.340 0.002 0.000 0.218 385 L C 2.715 179.565 176.870 -0.032 0.000 1.075 385 L CA 2.806 57.623 54.840 -0.039 0.000 0.767 385 L CB -0.719 41.316 42.059 -0.039 0.000 0.890 385 L HN 0.624 nan 8.230 nan 0.000 0.434 386 R N -0.625 119.853 120.500 -0.036 0.000 2.127 386 R HA -0.173 4.168 4.340 0.002 0.000 0.238 386 R C 2.145 178.431 176.300 -0.024 0.000 1.134 386 R CA 1.983 58.066 56.100 -0.028 0.000 0.975 386 R CB -1.040 29.242 30.300 -0.030 0.000 0.865 386 R HN 0.472 nan 8.270 nan 0.000 0.447 387 L N 0.407 121.614 121.223 -0.027 0.000 2.093 387 L HA -0.023 4.318 4.340 0.002 0.000 0.208 387 L C 2.836 179.697 176.870 -0.016 0.000 1.085 387 L CA 1.334 56.162 54.840 -0.020 0.000 0.755 387 L CB -0.441 41.605 42.059 -0.021 0.000 0.904 387 L HN 0.194 nan 8.230 nan 0.000 0.435 388 R N -0.326 120.164 120.500 -0.018 0.000 2.075 388 R HA -0.101 4.240 4.340 0.002 0.000 0.232 388 R C 2.294 178.587 176.300 -0.012 0.000 1.126 388 R CA 1.077 57.169 56.100 -0.013 0.000 0.963 388 R CB -0.476 29.816 30.300 -0.014 0.000 0.858 388 R HN 0.169 nan 8.270 nan 0.000 0.435 389 V N 1.194 121.100 119.914 -0.013 0.000 2.295 389 V HA -0.285 3.836 4.120 0.002 0.000 0.246 389 V C 2.540 178.629 176.094 -0.010 0.000 1.049 389 V CA 1.877 64.171 62.300 -0.011 0.000 1.024 389 V CB -0.614 31.202 31.823 -0.013 0.000 0.648 389 V HN 0.339 nan 8.190 nan 0.000 0.447 390 R N 0.273 120.767 120.500 -0.010 0.000 2.094 390 R HA -0.232 4.109 4.340 0.002 0.000 0.239 390 R C 2.304 178.600 176.300 -0.007 0.000 1.137 390 R CA 2.021 58.115 56.100 -0.009 0.000 0.943 390 R CB -0.531 29.764 30.300 -0.009 0.000 0.850 390 R HN 0.487 nan 8.270 nan 0.000 0.433 391 A N 0.966 123.782 122.820 -0.007 0.000 1.902 391 A HA -0.139 4.182 4.320 0.002 0.000 0.217 391 A C 2.261 179.842 177.584 -0.004 0.000 1.181 391 A CA 1.342 53.376 52.037 -0.005 0.000 0.623 391 A CB -0.512 18.485 19.000 -0.005 0.000 0.818 391 A HN 0.360 nan 8.150 nan 0.000 0.443 392 L N -0.723 120.497 121.223 -0.005 0.000 2.046 392 L HA -0.152 4.189 4.340 0.002 0.000 0.208 392 L C 2.532 179.399 176.870 -0.004 0.000 1.077 392 L CA 1.060 55.897 54.840 -0.005 0.000 0.747 392 L CB -0.568 41.488 42.059 -0.005 0.000 0.896 392 L HN 0.235 nan 8.230 nan 0.000 0.432 393 V N -0.534 119.378 119.914 -0.005 0.000 2.295 393 V HA -0.239 3.882 4.120 0.002 0.000 0.246 393 V C 2.326 178.418 176.094 -0.004 0.000 1.049 393 V CA 1.550 63.847 62.300 -0.004 0.000 1.024 393 V CB -0.496 31.324 31.823 -0.005 0.000 0.648 393 V HN 0.427 nan 8.190 nan 0.000 0.447 394 E N -0.303 119.895 120.200 -0.004 0.000 2.510 394 E HA -0.055 4.296 4.350 0.002 0.000 0.202 394 E C 0.862 177.461 176.600 -0.002 0.000 1.072 394 E CA 0.092 56.490 56.400 -0.003 0.000 0.883 394 E CB -0.173 29.526 29.700 -0.003 0.000 0.818 394 E HN 0.544 nan 8.360 nan 0.000 0.548 395 R N 0.000 120.499 120.500 -0.002 0.000 2.786 395 R HA 0.000 4.341 4.340 0.002 0.000 0.208 395 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 395 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535