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 1kor_1_D 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 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 K N 4.660 125.054 120.400 -0.010 0.000 2.318 2 K HA 0.818 5.139 4.320 0.002 0.000 0.249 2 K C -1.317 175.260 176.600 -0.039 0.000 0.942 2 K CA -0.784 55.492 56.287 -0.018 0.000 0.808 2 K CB 2.647 35.138 32.500 -0.015 0.000 1.189 2 K HN 0.605 nan 8.250 nan 0.000 0.428 3 I N 2.024 122.569 120.570 -0.043 0.000 2.478 3 I HA 0.198 4.369 4.170 0.002 0.000 0.287 3 I C -0.742 175.351 176.117 -0.040 0.000 1.042 3 I CA -1.195 60.066 61.300 -0.065 0.000 1.067 3 I CB 2.138 40.078 38.000 -0.101 0.000 1.233 3 I HN 0.201 nan 8.210 nan 0.000 0.431 4 V N 6.667 126.557 119.914 -0.040 0.000 2.368 4 V HA 0.251 4.372 4.120 0.002 0.000 0.266 4 V C -0.122 175.972 176.094 -0.001 0.000 1.045 4 V CA -0.444 61.848 62.300 -0.013 0.000 0.899 4 V CB 1.340 33.147 31.823 -0.027 0.000 1.006 4 V HN 0.409 nan 8.190 nan 0.000 0.470 5 L N 5.586 126.831 121.223 0.037 0.000 2.295 5 L HA 0.792 5.133 4.340 0.002 0.000 0.285 5 L C 0.554 177.497 176.870 0.121 0.000 1.035 5 L CA -0.177 54.695 54.840 0.054 0.000 0.806 5 L CB 1.333 43.436 42.059 0.073 0.000 1.214 5 L HN 0.663 nan 8.230 nan 0.000 0.426 6 A N 5.013 127.871 122.820 0.063 0.000 2.457 6 A HA 0.234 4.555 4.320 0.002 0.000 0.298 6 A C -1.127 176.508 177.584 0.085 0.000 1.288 6 A CA -0.104 51.974 52.037 0.068 0.000 0.956 6 A CB -0.841 18.083 19.000 -0.127 0.000 1.135 6 A HN 0.676 nan 8.150 nan 0.000 0.535 7 Y N 3.310 123.585 120.300 -0.041 0.000 2.353 7 Y HA 0.354 4.905 4.550 0.002 0.000 0.340 7 Y C 1.281 177.126 175.900 -0.091 0.000 0.972 7 Y CA -0.205 57.868 58.100 -0.045 0.000 1.157 7 Y CB 1.581 40.027 38.460 -0.023 0.000 1.157 7 Y HN 0.661 nan 8.280 nan 0.000 0.495 8 S N 2.398 117.815 115.700 -0.471 0.000 2.503 8 S HA 0.254 4.725 4.470 0.002 0.000 0.217 8 S C 1.459 175.738 174.600 -0.534 0.000 0.999 8 S CA 0.400 58.365 58.200 -0.393 0.000 0.914 8 S CB 0.047 63.102 63.200 -0.241 0.000 0.782 8 S HN 1.536 nan 8.310 nan 0.000 0.520 9 G N 0.360 108.501 108.800 -1.099 0.000 2.176 9 G HA2 -0.073 3.888 3.960 0.002 0.000 0.232 9 G HA3 -0.073 3.888 3.960 0.002 0.000 0.232 9 G C 0.455 175.129 174.900 -0.377 0.000 0.986 9 G CA -0.121 44.524 45.100 -0.759 0.000 0.643 9 G HN 1.020 nan 8.290 nan 0.000 0.522 10 G N -0.808 107.789 108.800 -0.337 0.000 2.525 10 G HA2 0.587 4.548 3.960 0.002 0.000 0.287 10 G HA3 0.587 4.548 3.960 0.002 0.000 0.287 10 G C 1.189 176.048 174.900 -0.069 0.000 1.350 10 G CA 0.135 45.148 45.100 -0.146 0.000 1.039 10 G HN 0.885 nan 8.290 nan 0.000 0.513 11 L N -0.629 120.583 121.223 -0.020 0.000 2.017 11 L HA -0.032 4.309 4.340 0.002 0.000 0.208 11 L C 2.125 179.019 176.870 0.039 0.000 1.073 11 L CA 2.328 57.176 54.840 0.012 0.000 0.745 11 L CB -0.583 41.476 42.059 -0.000 0.000 0.894 11 L HN 0.459 nan 8.230 nan 0.000 0.432 12 D N -0.844 119.593 120.400 0.063 0.000 2.117 12 D HA -0.145 4.496 4.640 0.002 0.000 0.198 12 D C 2.150 178.541 176.300 0.151 0.000 0.982 12 D CA 1.919 55.996 54.000 0.128 0.000 0.828 12 D CB -0.419 40.544 40.800 0.272 0.000 0.967 12 D HN 0.575 nan 8.370 nan 0.000 0.464 13 T N -2.315 112.302 114.554 0.105 0.000 3.085 13 T HA 0.052 4.403 4.350 0.002 0.000 0.263 13 T C 1.988 176.884 174.700 0.327 0.000 1.127 13 T CA 0.625 62.818 62.100 0.156 0.000 1.103 13 T CB 0.058 68.926 68.868 -0.000 0.000 0.921 13 T HN -0.131 nan 8.240 nan 0.000 0.510 14 S N 1.209 117.072 115.700 0.271 0.000 2.388 14 S HA 0.239 4.710 4.470 0.002 0.000 0.223 14 S C 1.905 176.638 174.600 0.221 0.000 1.034 14 S CA 0.462 58.860 58.200 0.329 0.000 0.963 14 S CB -0.310 63.025 63.200 0.225 0.000 0.827 14 S HN 0.451 nan 8.310 nan 0.000 0.481 15 I N 1.530 122.203 120.570 0.172 0.000 2.226 15 I HA -0.176 3.995 4.170 0.002 0.000 0.245 15 I C 1.984 178.281 176.117 0.300 0.000 1.100 15 I CA 1.246 62.661 61.300 0.191 0.000 1.374 15 I CB -0.358 37.642 38.000 -0.000 0.000 1.057 15 I HN 0.247 nan 8.210 nan 0.000 0.413 16 I N 0.372 121.113 120.570 0.284 0.000 2.286 16 I HA -0.301 3.870 4.170 0.002 0.000 0.248 16 I C 2.531 178.850 176.117 0.335 0.000 1.115 16 I CA 1.241 62.739 61.300 0.329 0.000 1.392 16 I CB -0.148 37.959 38.000 0.178 0.000 1.065 16 I HN 0.271 nan 8.210 nan 0.000 0.418 17 L N 0.586 121.965 121.223 0.261 0.000 2.046 17 L HA -0.224 4.117 4.340 0.002 0.000 0.208 17 L C 2.653 179.630 176.870 0.177 0.000 1.077 17 L CA 1.521 56.467 54.840 0.176 0.000 0.747 17 L CB -0.265 41.844 42.059 0.082 0.000 0.896 17 L HN 0.118 nan 8.230 nan 0.000 0.432 18 K N -0.756 119.757 120.400 0.188 0.000 2.025 18 K HA -0.252 4.069 4.320 0.002 0.000 0.207 18 K C 1.747 178.481 176.600 0.224 0.000 1.049 18 K CA 1.852 58.211 56.287 0.120 0.000 0.933 18 K CB -0.848 31.615 32.500 -0.063 0.000 0.714 18 K HN 0.469 nan 8.250 nan 0.000 0.438 19 W N 2.138 123.555 121.300 0.195 0.000 2.318 19 W HA -0.192 4.469 4.660 0.002 0.000 0.313 19 W C 1.823 178.457 176.519 0.192 0.000 1.221 19 W CA 1.486 58.965 57.345 0.223 0.000 1.266 19 W CB -0.320 29.297 29.460 0.262 0.000 1.150 19 W HN -0.036 nan 8.180 nan 0.000 0.496 20 L N 0.477 121.980 121.223 0.466 0.000 2.083 20 L HA -0.250 4.091 4.340 0.002 0.000 0.209 20 L C 2.517 179.469 176.870 0.137 0.000 1.083 20 L CA 1.690 56.719 54.840 0.316 0.000 0.752 20 L CB -0.867 41.346 42.059 0.257 0.000 0.899 20 L HN -0.023 nan 8.230 nan 0.000 0.433 21 K N 0.003 120.463 120.400 0.100 0.000 2.026 21 K HA -0.168 4.153 4.320 0.002 0.000 0.208 21 K C 1.985 178.588 176.600 0.004 0.000 1.048 21 K CA 1.468 57.788 56.287 0.055 0.000 0.929 21 K CB -0.139 32.395 32.500 0.056 0.000 0.713 21 K HN 0.402 nan 8.250 nan 0.000 0.439 22 E N 0.224 120.406 120.200 -0.029 0.000 2.047 22 E HA -0.119 4.232 4.350 0.002 0.000 0.191 22 E C 2.089 178.555 176.600 -0.224 0.000 0.987 22 E CA 1.385 57.736 56.400 -0.082 0.000 0.799 22 E CB -0.144 29.537 29.700 -0.033 0.000 0.752 22 E HN 0.256 nan 8.360 nan 0.000 0.449 23 T N 0.223 114.515 114.554 -0.436 0.000 2.737 23 T HA -0.119 4.233 4.350 0.002 0.000 0.265 23 T C 1.300 175.667 174.700 -0.555 0.000 1.038 23 T CA 1.211 62.908 62.100 -0.672 0.000 1.144 23 T CB -0.214 67.852 68.868 -1.336 0.000 0.866 23 T HN 0.199 nan 8.240 nan 0.000 0.434 24 Y N -0.100 120.053 120.300 -0.245 0.000 2.458 24 Y HA 0.434 4.985 4.550 0.002 0.000 0.254 24 Y C 0.982 176.832 175.900 -0.084 0.000 1.120 24 Y CA -0.602 57.420 58.100 -0.130 0.000 1.282 24 Y CB 0.286 38.697 38.460 -0.081 0.000 1.109 24 Y HN -0.114 nan 8.280 nan 0.000 0.526 25 R N 0.087 120.608 120.500 0.035 0.000 3.416 25 R HA -0.172 4.169 4.340 0.002 0.000 0.263 25 R C -0.643 175.685 176.300 0.046 0.000 1.053 25 R CA 0.570 56.682 56.100 0.020 0.000 0.705 25 R CB -1.725 28.570 30.300 -0.008 0.000 1.124 25 R HN 0.322 nan 8.270 nan 0.000 0.444 26 A N -0.375 122.486 122.820 0.069 0.000 2.322 26 A HA 0.645 4.966 4.320 0.002 0.000 0.327 26 A C -0.390 177.209 177.584 0.026 0.000 1.134 26 A CA -0.678 51.387 52.037 0.047 0.000 0.831 26 A CB 0.911 19.939 19.000 0.046 0.000 1.288 26 A HN 0.302 nan 8.150 nan 0.000 0.472 27 E N -0.027 120.180 120.200 0.012 0.000 2.316 27 E HA 0.432 4.783 4.350 0.002 0.000 0.275 27 E C -1.148 175.451 176.600 -0.002 0.000 1.029 27 E CA -0.140 56.263 56.400 0.004 0.000 0.871 27 E CB 1.164 30.864 29.700 -0.000 0.000 1.022 27 E HN 0.341 nan 8.360 nan 0.000 0.418 28 V N 5.217 125.129 119.914 -0.004 0.000 2.417 28 V HA 0.270 4.391 4.120 0.002 0.000 0.291 28 V C -0.452 175.631 176.094 -0.018 0.000 1.024 28 V CA -0.771 61.523 62.300 -0.009 0.000 0.861 28 V CB 1.221 33.044 31.823 -0.001 0.000 0.985 28 V HN 0.500 nan 8.190 nan 0.000 0.436 29 I N 4.542 125.107 120.570 -0.009 0.000 2.307 29 I HA 0.575 4.746 4.170 0.002 0.000 0.289 29 I C 0.707 176.838 176.117 0.024 0.000 1.021 29 I CA -0.097 61.204 61.300 0.002 0.000 1.224 29 I CB 1.402 39.408 38.000 0.011 0.000 1.376 29 I HN 0.677 nan 8.210 nan 0.000 0.470 30 A N 6.520 129.338 122.820 -0.004 0.000 2.363 30 A HA 0.607 4.928 4.320 0.002 0.000 0.270 30 A C -0.828 176.853 177.584 0.161 0.000 1.121 30 A CA -0.143 51.903 52.037 0.014 0.000 0.800 30 A CB 0.128 18.988 19.000 -0.233 0.000 1.052 30 A HN 0.524 nan 8.150 nan 0.000 0.493 31 F N 2.065 122.049 119.950 0.057 0.000 2.518 31 F HA 0.618 5.146 4.527 0.002 0.000 0.323 31 F C -0.374 175.472 175.800 0.077 0.000 1.129 31 F CA -0.312 57.718 58.000 0.050 0.000 0.920 31 F CB 2.095 41.111 39.000 0.027 0.000 1.160 31 F HN 0.425 nan 8.300 nan 0.000 0.440 32 T N 5.715 119.871 114.554 -0.664 0.000 2.812 32 T HA 0.768 5.119 4.350 0.002 0.000 0.282 32 T C -0.708 173.411 174.700 -0.968 0.000 0.990 32 T CA -0.535 61.188 62.100 -0.628 0.000 0.960 32 T CB 1.274 70.018 68.868 -0.206 0.000 0.948 32 T HN 0.794 nan 8.240 nan 0.000 0.438 33 A N 2.453 124.742 122.820 -0.885 0.000 2.304 33 A HA 0.625 4.946 4.320 0.002 0.000 0.323 33 A C -0.365 177.013 177.584 -0.344 0.000 1.195 33 A CA -0.697 50.968 52.037 -0.621 0.000 0.826 33 A CB 0.639 19.350 19.000 -0.483 0.000 1.184 33 A HN 0.703 nan 8.150 nan 0.000 0.496 34 D N 2.599 122.855 120.400 -0.239 0.000 2.347 34 D HA 0.363 5.004 4.640 0.002 0.000 0.235 34 D C 0.338 176.538 176.300 -0.168 0.000 1.149 34 D CA -0.159 53.741 54.000 -0.167 0.000 0.850 34 D CB 0.432 41.170 40.800 -0.103 0.000 1.061 34 D HN 0.477 nan 8.370 nan 0.000 0.487 35 I N 0.641 121.088 120.570 -0.205 0.000 3.658 35 I HA 0.480 4.652 4.170 0.002 0.000 0.328 35 I C 0.873 176.907 176.117 -0.139 0.000 1.567 35 I CA -0.697 60.447 61.300 -0.260 0.000 1.078 35 I CB 0.484 38.124 38.000 -0.600 0.000 1.267 35 I HN 0.440 nan 8.210 nan 0.000 0.495 36 G N 2.053 110.812 108.800 -0.068 0.000 2.140 36 G HA2 -0.262 3.699 3.960 0.002 0.000 0.211 36 G HA3 -0.262 3.699 3.960 0.002 0.000 0.211 36 G C 0.382 175.269 174.900 -0.023 0.000 1.013 36 G CA 0.386 45.480 45.100 -0.011 0.000 0.705 36 G HN 0.530 nan 8.290 nan 0.000 0.508 37 Q N -0.291 119.471 119.800 -0.063 0.000 2.437 37 Q HA 0.371 4.712 4.340 0.002 0.000 0.210 37 Q C 2.105 178.083 176.000 -0.037 0.000 0.972 37 Q CA 1.561 57.328 55.803 -0.061 0.000 0.903 37 Q CB 0.017 28.700 28.738 -0.092 0.000 0.967 37 Q HN 1.810 nan 8.270 nan 0.000 0.486 38 G N -0.262 108.522 108.800 -0.027 0.000 2.160 38 G HA2 -0.219 3.742 3.960 0.002 0.000 0.244 38 G HA3 -0.219 3.742 3.960 0.002 0.000 0.244 38 G C -0.472 174.414 174.900 -0.022 0.000 1.022 38 G CA -0.015 45.077 45.100 -0.013 0.000 0.741 38 G HN 0.159 nan 8.290 nan 0.000 0.508 39 E N -0.409 119.769 120.200 -0.037 0.000 2.277 39 E HA 0.497 4.848 4.350 0.002 0.000 0.266 39 E C -0.380 176.196 176.600 -0.040 0.000 0.901 39 E CA -1.013 55.362 56.400 -0.042 0.000 0.782 39 E CB 1.697 31.360 29.700 -0.062 0.000 1.228 39 E HN 0.201 nan 8.360 nan 0.000 0.424 40 E N 1.547 121.729 120.200 -0.031 0.000 2.052 40 E HA 0.091 4.442 4.350 0.002 0.000 0.283 40 E C 0.798 177.379 176.600 -0.031 0.000 1.071 40 E CA -0.236 56.149 56.400 -0.025 0.000 0.851 40 E CB 0.459 30.151 29.700 -0.013 0.000 1.066 40 E HN 0.353 nan 8.360 nan 0.000 0.396 41 V N 2.322 122.210 119.914 -0.044 0.000 2.720 41 V HA -0.125 3.996 4.120 0.002 0.000 0.256 41 V C 1.376 177.458 176.094 -0.021 0.000 1.082 41 V CA 1.377 63.645 62.300 -0.053 0.000 1.101 41 V CB -0.320 31.450 31.823 -0.088 0.000 0.693 41 V HN 0.482 nan 8.190 nan 0.000 0.479 42 E N 0.700 120.893 120.200 -0.011 0.000 2.274 42 E HA -0.114 4.237 4.350 0.002 0.000 0.194 42 E C 2.174 178.783 176.600 0.014 0.000 0.996 42 E CA 1.192 57.594 56.400 0.004 0.000 0.840 42 E CB 0.025 29.727 29.700 0.004 0.000 0.772 42 E HN 0.816 nan 8.360 nan 0.000 0.491 43 E N 0.750 120.957 120.200 0.012 0.000 2.046 43 E HA -0.075 4.276 4.350 0.002 0.000 0.190 43 E C 2.106 178.736 176.600 0.049 0.000 0.982 43 E CA 0.802 57.215 56.400 0.021 0.000 0.800 43 E CB -0.054 29.652 29.700 0.011 0.000 0.756 43 E HN 0.142 nan 8.360 nan 0.000 0.449 44 A N 1.824 124.675 122.820 0.053 0.000 1.908 44 A HA -0.232 4.089 4.320 0.002 0.000 0.218 44 A C 2.128 179.838 177.584 0.210 0.000 1.181 44 A CA 1.565 53.685 52.037 0.137 0.000 0.627 44 A CB -0.516 18.518 19.000 0.056 0.000 0.818 44 A HN 0.066 nan 8.150 nan 0.000 0.445 45 R N -0.420 120.141 120.500 0.103 0.000 2.091 45 R HA -0.170 4.171 4.340 0.002 0.000 0.238 45 R C 2.077 178.393 176.300 0.027 0.000 1.136 45 R CA 1.842 57.977 56.100 0.059 0.000 0.959 45 R CB -0.225 30.095 30.300 0.032 0.000 0.856 45 R HN 0.716 nan 8.270 nan 0.000 0.437 46 E N -0.106 120.115 120.200 0.035 0.000 2.072 46 E HA -0.194 4.157 4.350 0.002 0.000 0.190 46 E C 1.901 178.514 176.600 0.022 0.000 0.982 46 E CA 1.078 57.490 56.400 0.020 0.000 0.803 46 E CB 0.059 29.772 29.700 0.021 0.000 0.755 46 E HN 0.212 nan 8.360 nan 0.000 0.453 47 K N 0.695 121.131 120.400 0.061 0.000 2.147 47 K HA -0.118 4.203 4.320 0.002 0.000 0.205 47 K C 2.027 178.642 176.600 0.024 0.000 1.049 47 K CA 1.054 57.390 56.287 0.081 0.000 0.936 47 K CB -0.039 32.554 32.500 0.156 0.000 0.722 47 K HN 0.074 nan 8.250 nan 0.000 0.446 48 A N 1.381 124.158 122.820 -0.073 0.000 1.877 48 A HA -0.115 4.206 4.320 0.002 0.000 0.216 48 A C 2.083 179.539 177.584 -0.214 0.000 1.186 48 A CA 1.250 53.037 52.037 -0.416 0.000 0.620 48 A CB -0.600 18.034 19.000 -0.610 0.000 0.822 48 A HN 0.320 nan 8.150 nan 0.000 0.443 49 L N -1.288 119.869 121.223 -0.110 0.000 2.131 49 L HA -0.160 4.181 4.340 0.002 0.000 0.210 49 L C 2.856 179.700 176.870 -0.043 0.000 1.092 49 L CA 1.262 56.063 54.840 -0.065 0.000 0.759 49 L CB -0.435 41.603 42.059 -0.035 0.000 0.903 49 L HN 0.365 nan 8.230 nan 0.000 0.435 50 R N -0.714 119.769 120.500 -0.029 0.000 2.090 50 R HA -0.082 4.259 4.340 0.002 0.000 0.228 50 R C 2.116 178.412 176.300 -0.007 0.000 1.110 50 R CA 1.581 57.676 56.100 -0.009 0.000 0.973 50 R CB -0.288 30.016 30.300 0.006 0.000 0.869 50 R HN 0.280 nan 8.270 nan 0.000 0.440 51 T N -1.123 113.419 114.554 -0.020 0.000 3.072 51 T HA 0.030 4.381 4.350 0.002 0.000 0.266 51 T C 1.141 175.835 174.700 -0.010 0.000 1.127 51 T CA 1.234 63.331 62.100 -0.005 0.000 1.107 51 T CB 0.384 69.247 68.868 -0.009 0.000 0.910 51 T HN 0.602 nan 8.240 nan 0.000 0.513 52 G N 0.590 109.371 108.800 -0.032 0.000 2.227 52 G HA2 0.084 4.045 3.960 0.002 0.000 0.168 52 G HA3 0.084 4.045 3.960 0.002 0.000 0.168 52 G C 0.206 175.084 174.900 -0.036 0.000 1.006 52 G CA -0.305 44.784 45.100 -0.019 0.000 0.684 52 G HN 0.757 nan 8.290 nan 0.000 0.489 53 A N 0.923 123.698 122.820 -0.076 0.000 2.498 53 A HA 0.621 4.942 4.320 0.002 0.000 0.239 53 A C 1.745 179.302 177.584 -0.045 0.000 1.068 53 A CA 1.254 53.243 52.037 -0.078 0.000 0.766 53 A CB 0.405 19.323 19.000 -0.138 0.000 1.003 53 A HN 1.569 nan 8.150 nan 0.000 0.497 54 S N 1.029 116.712 115.700 -0.029 0.000 2.461 54 S HA 0.089 4.560 4.470 0.002 0.000 0.228 54 S C 0.570 175.161 174.600 -0.015 0.000 1.005 54 S CA 1.068 59.258 58.200 -0.017 0.000 0.942 54 S CB -0.122 63.072 63.200 -0.010 0.000 0.776 54 S HN 0.805 nan 8.310 nan 0.000 0.514 55 K N -0.015 120.374 120.400 -0.018 0.000 2.557 55 K HA 0.607 4.928 4.320 0.002 0.000 0.257 55 K C -2.106 174.490 176.600 -0.007 0.000 0.933 55 K CA -0.460 55.823 56.287 -0.007 0.000 0.820 55 K CB 1.814 34.316 32.500 0.004 0.000 1.330 55 K HN 0.171 nan 8.250 nan 0.000 0.432 56 A N 4.914 127.735 122.820 0.001 0.000 2.355 56 A HA 0.770 5.091 4.320 0.002 0.000 0.317 56 A C -1.045 176.574 177.584 0.058 0.000 1.094 56 A CA -0.802 51.242 52.037 0.011 0.000 0.764 56 A CB 0.652 19.636 19.000 -0.026 0.000 1.230 56 A HN 0.640 nan 8.150 nan 0.000 0.448 57 I N 1.236 121.878 120.570 0.120 0.000 2.545 57 I HA 0.655 4.826 4.170 0.002 0.000 0.292 57 I C 0.135 176.355 176.117 0.171 0.000 1.040 57 I CA -0.598 60.808 61.300 0.175 0.000 1.068 57 I CB 2.315 40.475 38.000 0.267 0.000 1.251 57 I HN 0.728 nan 8.210 nan 0.000 0.424 58 A N 7.460 130.347 122.820 0.111 0.000 2.353 58 A HA 0.864 5.185 4.320 0.002 0.000 0.299 58 A C -1.176 176.442 177.584 0.057 0.000 1.089 58 A CA -0.391 51.655 52.037 0.015 0.000 0.736 58 A CB 1.050 20.043 19.000 -0.011 0.000 1.195 58 A HN 0.649 nan 8.150 nan 0.000 0.447 59 L N 1.689 122.936 121.223 0.039 0.000 2.381 59 L HA 0.442 4.783 4.340 0.002 0.000 0.268 59 L C -0.797 176.061 176.870 -0.020 0.000 0.997 59 L CA -0.979 53.902 54.840 0.068 0.000 0.818 59 L CB 2.218 44.388 42.059 0.184 0.000 1.310 59 L HN 0.703 nan 8.230 nan 0.000 0.416 60 D N 3.445 123.845 120.400 -0.000 0.000 2.365 60 D HA 0.249 4.890 4.640 0.002 0.000 0.237 60 D C 0.124 176.420 176.300 -0.007 0.000 1.190 60 D CA 0.049 54.040 54.000 -0.015 0.000 0.867 60 D CB 0.985 41.788 40.800 0.005 0.000 1.050 60 D HN 0.421 nan 8.370 nan 0.000 0.491 61 L N 3.468 124.667 121.223 -0.040 0.000 2.910 61 L HA 0.189 4.530 4.340 0.002 0.000 0.252 61 L C 1.807 178.702 176.870 0.041 0.000 1.195 61 L CA -0.351 54.479 54.840 -0.017 0.000 1.003 61 L CB 0.229 42.220 42.059 -0.114 0.000 1.328 61 L HN 0.111 nan 8.230 nan 0.000 0.540 62 K N 0.634 121.059 120.400 0.041 0.000 2.074 62 K HA -0.171 4.150 4.320 0.002 0.000 0.209 62 K C 1.994 178.656 176.600 0.103 0.000 1.048 62 K CA 1.362 57.710 56.287 0.100 0.000 0.926 62 K CB 0.060 32.596 32.500 0.060 0.000 0.713 62 K HN 0.180 nan 8.250 nan 0.000 0.444 63 E N 0.454 120.689 120.200 0.057 0.000 2.047 63 E HA -0.217 4.134 4.350 0.002 0.000 0.191 63 E C 2.087 178.716 176.600 0.048 0.000 0.987 63 E CA 1.045 57.457 56.400 0.020 0.000 0.799 63 E CB -0.080 29.634 29.700 0.024 0.000 0.752 63 E HN 0.455 nan 8.360 nan 0.000 0.449 64 E N 0.087 120.363 120.200 0.127 0.000 2.077 64 E HA -0.196 4.155 4.350 0.002 0.000 0.193 64 E C 2.010 178.802 176.600 0.321 0.000 0.989 64 E CA 0.709 57.244 56.400 0.226 0.000 0.800 64 E CB -0.220 29.651 29.700 0.284 0.000 0.746 64 E HN 0.108 nan 8.360 nan 0.000 0.452 65 F N 1.246 121.218 119.950 0.037 0.000 2.046 65 F HA -0.226 4.302 4.527 0.002 0.000 0.297 65 F C 2.001 177.812 175.800 0.019 0.000 1.123 65 F CA 1.651 59.626 58.000 -0.041 0.000 1.199 65 F CB -0.792 38.126 39.000 -0.136 0.000 0.972 65 F HN -0.079 nan 8.300 nan 0.000 0.474 66 V N 1.357 121.076 119.914 -0.325 0.000 2.307 66 V HA -0.220 3.901 4.120 0.002 0.000 0.245 66 V C 2.689 178.399 176.094 -0.642 0.000 1.045 66 V CA 2.134 64.058 62.300 -0.626 0.000 1.024 66 V CB -0.875 30.583 31.823 -0.608 0.000 0.651 66 V HN 0.337 nan 8.190 nan 0.000 0.449 67 R N 0.300 120.552 120.500 -0.413 0.000 2.066 67 R HA -0.159 4.182 4.340 0.002 0.000 0.232 67 R C 1.581 177.874 176.300 -0.011 0.000 1.131 67 R CA 2.065 58.005 56.100 -0.267 0.000 0.955 67 R CB -0.228 30.015 30.300 -0.095 0.000 0.851 67 R HN 0.468 nan 8.270 nan 0.000 0.432 68 D N -1.344 119.116 120.400 0.099 0.000 2.360 68 D HA 0.054 4.695 4.640 0.002 0.000 0.210 68 D C 0.586 176.750 176.300 -0.227 0.000 1.047 68 D CA 0.534 54.550 54.000 0.027 0.000 0.854 68 D CB 0.364 41.207 40.800 0.071 0.000 0.936 68 D HN 0.194 nan 8.370 nan 0.000 0.514 69 F N -0.986 118.957 119.950 -0.011 0.000 2.347 69 F HA 0.076 4.604 4.527 0.002 0.000 0.266 69 F C 2.143 177.808 175.800 -0.224 0.000 0.884 69 F CA -0.069 57.824 58.000 -0.178 0.000 1.123 69 F CB -0.423 38.411 39.000 -0.276 0.000 1.098 69 F HN -0.260 nan 8.300 nan 0.000 0.803 70 V N 0.579 120.401 119.914 -0.153 0.000 2.295 70 V HA -0.251 3.870 4.120 0.002 0.000 0.246 70 V C 2.236 178.416 176.094 0.143 0.000 1.049 70 V CA 1.711 63.910 62.300 -0.168 0.000 1.024 70 V CB -0.627 30.938 31.823 -0.430 0.000 0.648 70 V HN 0.154 nan 8.190 nan 0.000 0.447 71 F N 0.265 120.177 119.950 -0.064 0.000 2.075 71 F HA -0.027 4.501 4.527 0.002 0.000 0.297 71 F C 0.218 176.040 175.800 0.036 0.000 1.113 71 F CA 1.019 59.014 58.000 -0.009 0.000 1.218 71 F CB -2.567 36.436 39.000 0.005 0.000 0.984 71 F HN 0.271 nan 8.300 nan 0.000 0.472 72 P HA -0.222 nan 4.420 nan 0.000 0.215 72 P C 2.174 179.620 177.300 0.242 0.000 1.153 72 P CA 1.693 64.947 63.100 0.257 0.000 0.853 72 P CB -0.208 31.699 31.700 0.345 0.000 0.788 73 M N -1.681 118.114 119.600 0.324 0.000 2.117 73 M HA -0.160 4.321 4.480 0.002 0.000 0.262 73 M C 1.947 178.260 176.300 0.022 0.000 1.065 73 M CA 2.007 57.491 55.300 0.306 0.000 1.114 73 M CB -0.423 32.324 32.600 0.245 0.000 1.361 73 M HN -0.148 nan 8.290 nan 0.000 0.408 74 M N -0.517 119.099 119.600 0.028 0.000 2.213 74 M HA -0.184 4.297 4.480 0.002 0.000 0.263 74 M C 2.043 178.261 176.300 -0.135 0.000 1.062 74 M CA 1.595 56.873 55.300 -0.037 0.000 1.105 74 M CB -0.456 32.149 32.600 0.009 0.000 1.385 74 M HN 0.269 nan 8.290 nan 0.000 0.417 75 R N 0.244 120.666 120.500 -0.130 0.000 2.159 75 R HA -0.093 4.248 4.340 0.002 0.000 0.237 75 R C 2.085 178.189 176.300 -0.327 0.000 1.131 75 R CA 1.399 57.397 56.100 -0.170 0.000 0.982 75 R CB -0.445 29.804 30.300 -0.086 0.000 0.868 75 R HN 0.361 nan 8.270 nan 0.000 0.453 76 A N 0.188 122.649 122.820 -0.599 0.000 2.208 76 A HA 0.183 4.504 4.320 0.002 0.000 0.209 76 A C 1.376 178.437 177.584 -0.871 0.000 1.161 76 A CA 0.645 51.891 52.037 -1.319 0.000 0.782 76 A CB -0.145 17.466 19.000 -2.316 0.000 0.816 76 A HN 0.417 nan 8.150 nan 0.000 0.477 77 G N -1.011 107.530 108.800 -0.432 0.000 2.273 77 G HA2 0.048 4.009 3.960 0.002 0.000 0.280 77 G HA3 0.048 4.009 3.960 0.002 0.000 0.280 77 G C 0.362 175.194 174.900 -0.113 0.000 1.047 77 G CA 0.414 45.391 45.100 -0.205 0.000 0.869 77 G HN 1.600 nan 8.290 nan 0.000 0.502 78 A N -0.537 122.191 122.820 -0.154 0.000 2.491 78 A HA 0.597 4.918 4.320 0.002 0.000 0.261 78 A C 0.355 177.929 177.584 -0.017 0.000 1.101 78 A CA 0.531 52.552 52.037 -0.028 0.000 0.772 78 A CB 0.818 19.900 19.000 0.136 0.000 1.043 78 A HN 1.306 nan 8.150 nan 0.000 0.501 79 V N 4.092 123.995 119.914 -0.018 0.000 2.567 79 V HA 0.182 4.303 4.120 0.002 0.000 0.298 79 V C -1.035 175.049 176.094 -0.016 0.000 1.047 79 V CA -0.501 61.753 62.300 -0.078 0.000 0.880 79 V CB 1.395 33.118 31.823 -0.166 0.000 1.009 79 V HN 0.812 nan 8.190 nan 0.000 0.429 80 Y N 3.717 123.938 120.300 -0.131 0.000 2.336 80 Y HA 0.334 4.885 4.550 0.002 0.000 0.335 80 Y C 1.149 177.000 175.900 -0.082 0.000 1.046 80 Y CA -0.265 57.761 58.100 -0.124 0.000 1.198 80 Y CB 0.554 38.921 38.460 -0.155 0.000 1.182 80 Y HN 0.868 nan 8.280 nan 0.000 0.502 81 E N 4.304 124.131 120.200 -0.621 0.000 2.199 81 E HA -0.321 4.030 4.350 0.002 0.000 0.208 81 E C 1.165 177.652 176.600 -0.188 0.000 1.310 81 E CA 0.669 56.797 56.400 -0.454 0.000 0.709 81 E CB -1.451 27.907 29.700 -0.570 0.000 1.127 81 E HN 1.197 nan 8.360 nan 0.000 0.354 82 G N -1.113 107.537 108.800 -0.250 0.000 2.396 82 G HA2 -0.416 3.545 3.960 0.002 0.000 0.242 82 G HA3 -0.416 3.545 3.960 0.002 0.000 0.242 82 G C 0.543 175.041 174.900 -0.669 0.000 1.069 82 G CA 0.874 45.691 45.100 -0.471 0.000 0.633 82 G HN 0.431 nan 8.290 nan 0.000 0.517 83 Y N -2.159 118.115 120.300 -0.044 0.000 2.438 83 Y HA 0.427 4.978 4.550 0.002 0.000 0.274 83 Y C 0.731 176.651 175.900 0.033 0.000 1.085 83 Y CA -0.612 57.476 58.100 -0.020 0.000 1.199 83 Y CB 0.294 38.776 38.460 0.036 0.000 1.317 83 Y HN 0.216 nan 8.280 nan 0.000 0.545 84 Y N 2.904 123.231 120.300 0.045 0.000 2.531 84 Y HA 0.242 4.793 4.550 0.002 0.000 0.347 84 Y C 0.596 176.434 175.900 -0.104 0.000 1.024 84 Y CA -0.994 57.060 58.100 -0.078 0.000 1.306 84 Y CB 0.380 38.789 38.460 -0.085 0.000 1.149 84 Y HN 0.118 nan 8.280 nan 0.000 0.527 85 L N 7.320 128.318 121.223 -0.375 0.000 2.645 85 L HA 0.022 4.363 4.340 0.002 0.000 0.235 85 L C 0.615 177.075 176.870 -0.683 0.000 1.150 85 L CA 0.115 54.702 54.840 -0.423 0.000 0.911 85 L CB -0.465 41.459 42.059 -0.225 0.000 1.077 85 L HN 0.802 nan 8.230 nan 0.000 0.438 86 L N -0.668 119.655 121.223 -1.499 0.000 3.865 86 L HA -0.271 4.070 4.340 0.002 0.000 0.408 86 L C 1.789 178.222 176.870 -0.730 0.000 1.209 86 L CA 0.119 54.208 54.840 -1.251 0.000 0.940 86 L CB -2.099 39.628 42.059 -0.555 0.000 1.971 86 L HN 0.429 nan 8.230 nan 0.000 0.899 87 G N -0.536 107.751 108.800 -0.854 0.000 2.476 87 G HA2 -0.273 3.688 3.960 0.002 0.000 0.218 87 G HA3 -0.273 3.688 3.960 0.002 0.000 0.218 87 G C 1.255 175.860 174.900 -0.491 0.000 1.164 87 G CA 1.619 46.134 45.100 -0.974 0.000 0.768 87 G HN 0.429 nan 8.290 nan 0.000 0.560 88 T N 0.980 115.419 114.554 -0.192 0.000 2.896 88 T HA -0.017 4.334 4.350 0.002 0.000 0.263 88 T C 2.882 177.532 174.700 -0.084 0.000 1.050 88 T CA 1.248 63.383 62.100 0.057 0.000 1.140 88 T CB -0.204 68.803 68.868 0.232 0.000 0.877 88 T HN 0.278 nan 8.240 nan 0.000 0.457 89 S N 2.307 117.952 115.700 -0.091 0.000 2.365 89 S HA -0.135 4.336 4.470 0.002 0.000 0.225 89 S C 1.958 176.430 174.600 -0.213 0.000 1.039 89 S CA 1.507 59.606 58.200 -0.167 0.000 1.033 89 S CB -0.488 62.631 63.200 -0.136 0.000 0.887 89 S HN 0.602 nan 8.310 nan 0.000 0.447 90 I N 1.194 121.643 120.570 -0.200 0.000 3.111 90 I HA 0.210 4.381 4.170 0.002 0.000 0.272 90 I C 2.046 178.073 176.117 -0.151 0.000 1.268 90 I CA 0.335 61.489 61.300 -0.242 0.000 1.467 90 I CB -0.892 36.974 38.000 -0.223 0.000 1.087 90 I HN 0.163 nan 8.210 nan 0.000 0.467 91 A N 1.305 124.049 122.820 -0.126 0.000 1.898 91 A HA -0.011 4.310 4.320 0.002 0.000 0.214 91 A C 2.330 179.718 177.584 -0.327 0.000 1.183 91 A CA 0.619 52.476 52.037 -0.300 0.000 0.622 91 A CB -0.278 18.475 19.000 -0.412 0.000 0.824 91 A HN 0.201 nan 8.150 nan 0.000 0.444 92 R N 0.128 120.443 120.500 -0.309 0.000 2.096 92 R HA -0.134 4.207 4.340 0.002 0.000 0.240 92 R C -0.466 175.755 176.300 -0.131 0.000 1.139 92 R CA 1.900 57.788 56.100 -0.353 0.000 0.952 92 R CB -2.522 27.351 30.300 -0.711 0.000 0.854 92 R HN 0.380 nan 8.270 nan 0.000 0.436 93 P HA -0.134 nan 4.420 nan 0.000 0.216 93 P C 1.706 179.137 177.300 0.219 0.000 1.150 93 P CA 0.908 64.095 63.100 0.144 0.000 0.843 93 P CB -0.105 31.635 31.700 0.066 0.000 0.787 94 L N -0.922 120.158 121.223 -0.238 0.000 1.994 94 L HA -0.184 4.157 4.340 0.002 0.000 0.208 94 L C 2.248 179.176 176.870 0.097 0.000 1.071 94 L CA 1.856 56.471 54.840 -0.374 0.000 0.745 94 L CB -0.685 40.829 42.059 -0.908 0.000 0.892 94 L HN -0.086 nan 8.230 nan 0.000 0.431 95 I N 0.039 120.657 120.570 0.081 0.000 2.127 95 I HA -0.324 3.847 4.170 0.002 0.000 0.241 95 I C 2.816 179.116 176.117 0.305 0.000 1.075 95 I CA 1.356 62.815 61.300 0.265 0.000 1.334 95 I CB -0.635 37.542 38.000 0.295 0.000 1.040 95 I HN 0.323 nan 8.210 nan 0.000 0.405 96 A N 0.764 123.778 122.820 0.325 0.000 1.940 96 A HA -0.289 4.032 4.320 0.002 0.000 0.219 96 A C 2.390 180.066 177.584 0.153 0.000 1.176 96 A CA 2.140 54.328 52.037 0.252 0.000 0.631 96 A CB -0.632 18.562 19.000 0.323 0.000 0.814 96 A HN 0.433 nan 8.150 nan 0.000 0.446 97 K N -1.330 119.192 120.400 0.204 0.000 2.063 97 K HA -0.250 4.071 4.320 0.002 0.000 0.208 97 K C 1.826 178.390 176.600 -0.060 0.000 1.048 97 K CA 1.963 58.305 56.287 0.091 0.000 0.928 97 K CB -0.283 32.361 32.500 0.240 0.000 0.713 97 K HN 0.632 nan 8.250 nan 0.000 0.442 98 H N 0.188 119.227 119.070 -0.052 0.000 2.403 98 H HA 0.055 4.612 4.556 0.002 0.000 0.298 98 H C 1.868 176.961 175.328 -0.392 0.000 1.059 98 H CA 1.298 57.184 56.048 -0.269 0.000 1.363 98 H CB 0.058 29.556 29.762 -0.439 0.000 1.410 98 H HN 0.073 nan 8.280 nan 0.000 0.528 99 L N -0.340 120.794 121.223 -0.147 0.000 2.043 99 L HA -0.197 4.144 4.340 0.002 0.000 0.212 99 L C 2.068 178.865 176.870 -0.122 0.000 1.075 99 L CA 1.044 55.803 54.840 -0.134 0.000 0.752 99 L CB -0.352 41.689 42.059 -0.030 0.000 0.891 99 L HN 0.206 nan 8.230 nan 0.000 0.432 100 V N -0.582 119.274 119.914 -0.097 0.000 2.548 100 V HA -0.208 3.913 4.120 0.002 0.000 0.249 100 V C 2.610 178.639 176.094 -0.109 0.000 1.055 100 V CA 1.380 63.627 62.300 -0.089 0.000 1.065 100 V CB -0.589 31.190 31.823 -0.073 0.000 0.681 100 V HN 0.440 nan 8.190 nan 0.000 0.462 101 R N 0.306 120.715 120.500 -0.151 0.000 2.070 101 R HA -0.137 4.205 4.340 0.002 0.000 0.233 101 R C 2.296 178.516 176.300 -0.133 0.000 1.137 101 R CA 1.965 57.971 56.100 -0.157 0.000 0.945 101 R CB -0.330 29.829 30.300 -0.235 0.000 0.845 101 R HN 0.438 nan 8.270 nan 0.000 0.430 102 I N 1.016 121.486 120.570 -0.168 0.000 2.163 102 I HA -0.263 3.908 4.170 0.002 0.000 0.243 102 I C 2.672 178.735 176.117 -0.089 0.000 1.085 102 I CA 1.389 62.607 61.300 -0.137 0.000 1.347 102 I CB -0.494 37.387 38.000 -0.197 0.000 1.044 102 I HN 0.303 nan 8.210 nan 0.000 0.408 103 A N 0.301 123.069 122.820 -0.087 0.000 1.948 103 A HA -0.303 4.018 4.320 0.002 0.000 0.220 103 A C 2.291 179.847 177.584 -0.048 0.000 1.177 103 A CA 2.275 54.276 52.037 -0.060 0.000 0.636 103 A CB -0.685 18.280 19.000 -0.059 0.000 0.815 103 A HN 0.553 nan 8.150 nan 0.000 0.449 104 E N -0.419 119.749 120.200 -0.054 0.000 2.107 104 E HA -0.161 4.190 4.350 0.002 0.000 0.191 104 E C 1.891 178.469 176.600 -0.036 0.000 0.982 104 E CA 1.105 57.480 56.400 -0.041 0.000 0.809 104 E CB -0.099 29.573 29.700 -0.046 0.000 0.756 104 E HN 0.743 nan 8.360 nan 0.000 0.459 105 E N 0.025 120.199 120.200 -0.043 0.000 2.072 105 E HA -0.144 4.207 4.350 0.002 0.000 0.190 105 E C 1.825 178.411 176.600 -0.024 0.000 0.982 105 E CA 0.901 57.282 56.400 -0.033 0.000 0.803 105 E CB 0.134 29.812 29.700 -0.037 0.000 0.755 105 E HN 0.220 nan 8.360 nan 0.000 0.453 106 E N -0.500 119.684 120.200 -0.027 0.000 2.371 106 E HA -0.003 4.348 4.350 0.002 0.000 0.194 106 E C 1.051 177.641 176.600 -0.017 0.000 1.012 106 E CA 0.716 57.105 56.400 -0.019 0.000 0.860 106 E CB 0.479 30.167 29.700 -0.020 0.000 0.811 106 E HN 0.351 nan 8.360 nan 0.000 0.502 107 G N 1.353 110.142 108.800 -0.019 0.000 2.212 107 G HA2 -0.229 3.732 3.960 0.002 0.000 0.255 107 G HA3 -0.229 3.732 3.960 0.002 0.000 0.255 107 G C 0.208 175.099 174.900 -0.015 0.000 1.062 107 G CA 0.244 45.335 45.100 -0.015 0.000 0.815 107 G HN 0.465 nan 8.290 nan 0.000 0.497 108 A N 0.073 122.880 122.820 -0.022 0.000 2.274 108 A HA 0.715 5.036 4.320 0.002 0.000 0.309 108 A C 1.170 178.739 177.584 -0.025 0.000 1.226 108 A CA 0.478 52.500 52.037 -0.025 0.000 0.853 108 A CB 0.477 19.458 19.000 -0.032 0.000 1.146 108 A HN 0.859 nan 8.150 nan 0.000 0.518 109 E N 2.244 122.431 120.200 -0.021 0.000 2.358 109 E HA 0.237 4.588 4.350 0.002 0.000 0.195 109 E C 0.586 177.171 176.600 -0.026 0.000 1.010 109 E CA 0.975 57.366 56.400 -0.015 0.000 0.856 109 E CB 0.066 29.764 29.700 -0.003 0.000 0.795 109 E HN 0.636 nan 8.360 nan 0.000 0.504 110 A N 1.346 124.135 122.820 -0.051 0.000 2.469 110 A HA 0.679 5.000 4.320 0.002 0.000 0.299 110 A C -0.614 176.918 177.584 -0.086 0.000 1.098 110 A CA -1.038 50.953 52.037 -0.076 0.000 0.737 110 A CB 1.217 20.142 19.000 -0.125 0.000 1.312 110 A HN 0.350 nan 8.150 nan 0.000 0.414 111 I N -2.301 118.211 120.570 -0.097 0.000 2.892 111 I HA 0.969 5.140 4.170 0.002 0.000 0.306 111 I C -0.321 175.721 176.117 -0.125 0.000 1.078 111 I CA -1.074 60.170 61.300 -0.094 0.000 1.032 111 I CB 2.296 40.246 38.000 -0.082 0.000 1.229 111 I HN 0.939 nan 8.210 nan 0.000 0.435 112 A N 2.365 125.110 122.820 -0.124 0.000 2.539 112 A HA 0.925 5.246 4.320 0.002 0.000 0.296 112 A C -1.403 176.073 177.584 -0.180 0.000 1.073 112 A CA -0.471 51.450 52.037 -0.193 0.000 0.700 112 A CB 1.355 20.265 19.000 -0.151 0.000 1.296 112 A HN 1.142 nan 8.150 nan 0.000 0.405 113 H N -1.964 116.994 119.070 -0.187 0.000 3.008 113 H HA 0.695 5.252 4.556 0.002 0.000 0.354 113 H C 0.137 175.413 175.328 -0.088 0.000 1.252 113 H CA -0.353 55.542 56.048 -0.255 0.000 1.117 113 H CB 1.388 30.791 29.762 -0.597 0.000 1.857 113 H HN 0.796 nan 8.280 nan 0.000 0.547 114 G N -0.234 108.689 108.800 0.204 0.000 3.820 114 G HA2 0.510 4.471 3.960 0.002 0.000 0.293 114 G HA3 0.510 4.471 3.960 0.002 0.000 0.293 114 G C -0.036 175.100 174.900 0.394 0.000 1.152 114 G CA 0.038 45.327 45.100 0.315 0.000 0.921 114 G HN 0.852 nan 8.290 nan 0.000 0.544 115 A N 0.791 123.902 122.820 0.486 0.000 2.340 115 A HA 0.673 4.994 4.320 0.002 0.000 0.268 115 A C 0.973 178.557 177.584 0.000 0.000 1.100 115 A CA 0.144 52.290 52.037 0.182 0.000 0.803 115 A CB 0.380 19.481 19.000 0.168 0.000 1.043 115 A HN 0.552 nan 8.150 nan 0.000 0.488 116 T N -0.705 113.648 114.554 -0.335 0.000 2.788 116 T HA 0.451 4.802 4.350 0.002 0.000 0.280 116 T C 1.203 175.834 174.700 -0.114 0.000 0.984 116 T CA 0.099 61.953 62.100 -0.409 0.000 0.972 116 T CB 1.117 69.595 68.868 -0.649 0.000 1.039 116 T HN 0.965 nan 8.240 nan 0.000 0.530 117 G N -0.413 108.356 108.800 -0.052 0.000 2.813 117 G HA2 0.032 3.993 3.960 0.002 0.000 0.209 117 G HA3 0.032 3.993 3.960 0.002 0.000 0.209 117 G C 1.214 176.096 174.900 -0.029 0.000 1.150 117 G CA -0.181 44.914 45.100 -0.008 0.000 0.785 117 G HN 0.764 nan 8.290 nan 0.000 0.535 118 K N -0.121 120.241 120.400 -0.063 0.000 2.393 118 K HA 0.208 4.529 4.320 0.002 0.000 0.193 118 K C 1.410 177.980 176.600 -0.050 0.000 1.026 118 K CA 0.190 56.447 56.287 -0.051 0.000 1.064 118 K CB 0.815 33.279 32.500 -0.059 0.000 0.833 118 K HN 0.244 nan 8.250 nan 0.000 0.521 119 G N -0.032 108.726 108.800 -0.071 0.000 2.938 119 G HA2 0.090 4.051 3.960 0.002 0.000 0.258 119 G HA3 0.090 4.051 3.960 0.002 0.000 0.258 119 G C 0.064 174.923 174.900 -0.069 0.000 1.356 119 G CA -0.521 44.538 45.100 -0.067 0.000 1.052 119 G HN -0.074 nan 8.290 nan 0.000 0.550 120 N N -0.067 118.566 118.700 -0.112 0.000 2.368 120 N HA -0.052 4.689 4.740 0.002 0.000 0.176 120 N C 1.308 176.687 175.510 -0.220 0.000 1.021 120 N CA 0.547 53.497 53.050 -0.166 0.000 0.888 120 N CB 0.161 38.434 38.487 -0.356 0.000 0.995 120 N HN 0.397 nan 8.380 nan 0.000 0.437 121 D N 2.016 122.265 120.400 -0.252 0.000 2.149 121 D HA -0.192 4.449 4.640 0.002 0.000 0.198 121 D C 2.119 178.191 176.300 -0.380 0.000 0.990 121 D CA 0.937 54.697 54.000 -0.402 0.000 0.839 121 D CB -0.158 40.437 40.800 -0.343 0.000 0.948 121 D HN 0.582 nan 8.370 nan 0.000 0.460 122 Q N 0.608 120.307 119.800 -0.168 0.000 2.061 122 Q HA -0.122 4.219 4.340 0.002 0.000 0.204 122 Q C 2.206 178.176 176.000 -0.049 0.000 0.984 122 Q CA 1.436 57.195 55.803 -0.073 0.000 0.846 122 Q CB -0.568 28.215 28.738 0.075 0.000 0.902 122 Q HN 0.138 nan 8.270 nan 0.000 0.421 123 V N 1.371 121.250 119.914 -0.058 0.000 2.343 123 V HA -0.236 3.885 4.120 0.002 0.000 0.247 123 V C 2.460 178.494 176.094 -0.101 0.000 1.051 123 V CA 2.208 64.493 62.300 -0.025 0.000 1.036 123 V CB -0.706 31.149 31.823 0.054 0.000 0.654 123 V HN 0.333 nan 8.190 nan 0.000 0.451 124 R N -0.568 119.803 120.500 -0.214 0.000 2.073 124 R HA -0.106 4.235 4.340 0.002 0.000 0.234 124 R C 2.299 178.495 176.300 -0.174 0.000 1.134 124 R CA 1.911 57.854 56.100 -0.261 0.000 0.952 124 R CB -0.537 29.514 30.300 -0.416 0.000 0.850 124 R HN 0.455 nan 8.270 nan 0.000 0.433 125 F N 1.033 120.882 119.950 -0.168 0.000 2.102 125 F HA -0.187 4.341 4.527 0.002 0.000 0.298 125 F C 2.402 178.136 175.800 -0.110 0.000 1.105 125 F CA 1.197 59.100 58.000 -0.160 0.000 1.239 125 F CB -0.055 38.731 39.000 -0.358 0.000 0.991 125 F HN 0.086 nan 8.300 nan 0.000 0.474 126 E N 0.325 120.580 120.200 0.092 0.000 2.107 126 E HA -0.159 4.192 4.350 0.002 0.000 0.191 126 E C 2.261 178.858 176.600 -0.006 0.000 0.982 126 E CA 0.858 57.230 56.400 -0.047 0.000 0.809 126 E CB -0.196 29.539 29.700 0.059 0.000 0.756 126 E HN 0.431 nan 8.360 nan 0.000 0.459 127 L N 0.886 122.153 121.223 0.073 0.000 2.083 127 L HA -0.168 4.173 4.340 0.002 0.000 0.209 127 L C 2.952 179.915 176.870 0.154 0.000 1.083 127 L CA 1.634 56.541 54.840 0.111 0.000 0.752 127 L CB -0.765 41.242 42.059 -0.087 0.000 0.899 127 L HN 0.326 nan 8.230 nan 0.000 0.433 128 T N -2.275 112.373 114.554 0.157 0.000 2.857 128 T HA -0.060 4.291 4.350 0.002 0.000 0.266 128 T C 1.945 176.728 174.700 0.138 0.000 1.048 128 T CA 0.907 63.165 62.100 0.263 0.000 1.139 128 T CB -0.113 69.007 68.868 0.421 0.000 0.874 128 T HN 0.275 nan 8.240 nan 0.000 0.455 129 A N 0.646 123.492 122.820 0.043 0.000 1.865 129 A HA 0.002 4.323 4.320 0.002 0.000 0.217 129 A C 2.211 179.775 177.584 -0.034 0.000 1.191 129 A CA 1.618 53.617 52.037 -0.063 0.000 0.623 129 A CB -1.408 17.470 19.000 -0.204 0.000 0.826 129 A HN 0.709 nan 8.150 nan 0.000 0.444 130 Y N -0.395 119.953 120.300 0.079 0.000 2.274 130 Y HA -0.114 4.437 4.550 0.002 0.000 0.290 130 Y C 2.869 178.808 175.900 0.066 0.000 1.145 130 Y CA 0.521 58.661 58.100 0.067 0.000 1.203 130 Y CB -0.148 38.356 38.460 0.074 0.000 0.984 130 Y HN 0.381 nan 8.280 nan 0.000 0.533 131 A N -0.158 122.802 122.820 0.232 0.000 1.968 131 A HA -0.078 4.243 4.320 0.002 0.000 0.217 131 A C 2.049 179.687 177.584 0.090 0.000 1.169 131 A CA 1.149 53.291 52.037 0.174 0.000 0.638 131 A CB -0.686 18.443 19.000 0.216 0.000 0.812 131 A HN 0.472 nan 8.150 nan 0.000 0.446 132 L N -1.947 119.299 121.223 0.037 0.000 2.249 132 L HA 0.154 4.495 4.340 0.002 0.000 0.207 132 L C 1.202 178.067 176.870 -0.009 0.000 1.090 132 L CA 0.782 55.597 54.840 -0.043 0.000 0.802 132 L CB 0.068 42.049 42.059 -0.131 0.000 0.947 132 L HN 0.233 nan 8.230 nan 0.000 0.453 133 K N 0.528 120.946 120.400 0.030 0.000 2.756 133 K HA 0.207 4.528 4.320 0.002 0.000 0.218 133 K C -2.039 174.624 176.600 0.105 0.000 1.057 133 K CA -1.394 54.917 56.287 0.040 0.000 1.056 133 K CB 1.660 34.167 32.500 0.011 0.000 1.235 133 K HN -0.263 nan 8.250 nan 0.000 0.547 134 P HA -0.185 nan 4.420 nan 0.000 0.218 134 P C 0.198 177.587 177.300 0.148 0.000 1.146 134 P CA 1.384 64.571 63.100 0.145 0.000 0.813 134 P CB 0.218 31.968 31.700 0.083 0.000 0.778 135 D N -1.797 118.668 120.400 0.108 0.000 2.363 135 D HA 0.071 4.712 4.640 0.002 0.000 0.214 135 D C 0.677 177.042 176.300 0.108 0.000 1.093 135 D CA -0.817 53.239 54.000 0.094 0.000 0.837 135 D CB -0.860 39.972 40.800 0.055 0.000 0.948 135 D HN 0.091 nan 8.370 nan 0.000 0.507 136 I N 0.705 121.352 120.570 0.129 0.000 2.754 136 I HA 0.179 4.350 4.170 0.002 0.000 0.285 136 I C -0.223 175.971 176.117 0.129 0.000 1.166 136 I CA -0.261 61.089 61.300 0.082 0.000 1.417 136 I CB 0.554 38.567 38.000 0.021 0.000 1.382 136 I HN -0.256 nan 8.210 nan 0.000 0.588 137 K N 5.320 125.757 120.400 0.062 0.000 2.159 137 K HA 0.617 4.938 4.320 0.002 0.000 0.266 137 K C -1.252 175.348 176.600 0.000 0.000 0.975 137 K CA -0.439 55.891 56.287 0.073 0.000 0.865 137 K CB 1.736 34.260 32.500 0.040 0.000 1.087 137 K HN 0.345 nan 8.250 nan 0.000 0.446 138 V N 4.375 124.302 119.914 0.021 0.000 2.459 138 V HA 0.512 4.633 4.120 0.002 0.000 0.295 138 V C -0.329 175.732 176.094 -0.055 0.000 1.029 138 V CA -0.811 61.456 62.300 -0.056 0.000 0.874 138 V CB 1.368 33.139 31.823 -0.088 0.000 0.985 138 V HN 0.599 nan 8.190 nan 0.000 0.438 139 I N 3.802 124.286 120.570 -0.143 0.000 2.410 139 I HA 0.673 4.845 4.170 0.002 0.000 0.286 139 I C 0.119 176.061 176.117 -0.292 0.000 1.009 139 I CA -0.566 60.643 61.300 -0.151 0.000 1.111 139 I CB 1.851 39.732 38.000 -0.198 0.000 1.262 139 I HN 0.665 nan 8.210 nan 0.000 0.443 140 A N 7.886 130.536 122.820 -0.284 0.000 2.508 140 A HA 0.586 4.907 4.320 0.002 0.000 0.336 140 A C -2.019 175.298 177.584 -0.445 0.000 1.360 140 A CA -1.470 50.297 52.037 -0.450 0.000 0.841 140 A CB 0.293 19.116 19.000 -0.296 0.000 1.136 140 A HN 0.459 nan 8.150 nan 0.000 0.489 141 P HA -0.196 nan 4.420 nan 0.000 0.217 141 P C 0.848 177.103 177.300 -1.741 0.000 1.151 141 P CA 1.429 63.745 63.100 -1.307 0.000 0.849 141 P CB 0.040 30.836 31.700 -1.507 0.000 0.787 142 W N -0.256 120.198 121.300 -1.410 0.000 2.364 142 W HA -0.102 4.559 4.660 0.002 0.000 0.281 142 W C 2.236 178.359 176.519 -0.660 0.000 1.219 142 W CA 0.969 57.617 57.345 -1.161 0.000 1.220 142 W CB -0.475 28.685 29.460 -0.501 0.000 1.127 142 W HN -0.076 nan 8.180 nan 0.000 0.556 143 R N -0.232 120.109 120.500 -0.265 0.000 2.300 143 R HA 0.045 4.386 4.340 0.002 0.000 0.199 143 R C 1.183 177.419 176.300 -0.107 0.000 0.920 143 R CA 0.648 56.685 56.100 -0.105 0.000 1.046 143 R CB 0.049 30.326 30.300 -0.038 0.000 0.984 143 R HN 0.343 nan 8.270 nan 0.000 0.493 144 E N -0.255 119.804 120.200 -0.234 0.000 2.364 144 E HA 0.002 4.353 4.350 0.002 0.000 0.203 144 E C 0.046 176.699 176.600 0.088 0.000 0.888 144 E CA -0.174 56.206 56.400 -0.033 0.000 0.989 144 E CB 0.134 29.898 29.700 0.106 0.000 0.985 144 E HN 0.119 nan 8.360 nan 0.000 0.499 145 W N 0.810 121.993 121.300 -0.196 0.000 2.030 145 W HA 0.357 5.018 4.660 0.002 0.000 0.360 145 W C 0.730 177.134 176.519 -0.191 0.000 1.370 145 W CA -0.915 56.305 57.345 -0.208 0.000 1.433 145 W CB -0.156 28.922 29.460 -0.637 0.000 1.204 145 W HN -0.362 nan 8.180 nan 0.000 0.649 146 S N 0.002 115.679 115.700 -0.039 0.000 2.511 146 S HA 0.175 4.646 4.470 0.002 0.000 0.214 146 S C 0.220 174.678 174.600 -0.236 0.000 0.997 146 S CA -0.558 57.565 58.200 -0.128 0.000 0.908 146 S CB -0.585 62.525 63.200 -0.150 0.000 0.803 146 S HN 0.289 nan 8.310 nan 0.000 0.504 147 F N 2.879 122.607 119.950 -0.371 0.000 2.579 147 F HA -0.076 4.452 4.527 0.002 0.000 0.397 147 F C 1.613 177.310 175.800 -0.172 0.000 1.027 147 F CA 0.384 58.124 58.000 -0.433 0.000 1.217 147 F CB 0.261 38.716 39.000 -0.907 0.000 0.986 147 F HN 0.158 nan 8.300 nan 0.000 0.551 148 Q N 2.151 122.003 119.800 0.087 0.000 2.219 148 Q HA 0.316 4.657 4.340 0.002 0.000 0.209 148 Q C 0.628 176.679 176.000 0.085 0.000 0.854 148 Q CA -0.125 55.731 55.803 0.088 0.000 0.960 148 Q CB 1.208 29.981 28.738 0.059 0.000 1.116 148 Q HN 0.880 nan 8.270 nan 0.000 0.500 149 G N -0.393 108.449 108.800 0.069 0.000 2.506 149 G HA2 0.200 4.161 3.960 0.002 0.000 0.292 149 G HA3 0.200 4.161 3.960 0.002 0.000 0.292 149 G C -0.688 174.211 174.900 -0.002 0.000 1.425 149 G CA -0.697 44.432 45.100 0.049 0.000 0.788 149 G HN -0.089 nan 8.290 nan 0.000 0.490 150 R N 0.052 120.556 120.500 0.006 0.000 2.066 150 R HA 0.025 4.366 4.340 0.002 0.000 0.232 150 R C 2.404 178.665 176.300 -0.065 0.000 1.131 150 R CA 1.953 58.037 56.100 -0.027 0.000 0.955 150 R CB -0.393 29.908 30.300 0.002 0.000 0.851 150 R HN 0.422 nan 8.270 nan 0.000 0.432 151 K N 0.712 121.093 120.400 -0.032 0.000 2.074 151 K HA -0.154 4.167 4.320 0.002 0.000 0.209 151 K C 1.993 178.571 176.600 -0.036 0.000 1.048 151 K CA 2.048 58.318 56.287 -0.027 0.000 0.926 151 K CB -0.277 32.219 32.500 -0.006 0.000 0.713 151 K HN 0.379 nan 8.250 nan 0.000 0.444 152 E N 0.040 120.220 120.200 -0.033 0.000 2.110 152 E HA -0.096 4.255 4.350 0.002 0.000 0.193 152 E C 2.003 178.526 176.600 -0.129 0.000 0.988 152 E CA 1.167 57.567 56.400 -0.001 0.000 0.804 152 E CB -0.101 29.648 29.700 0.081 0.000 0.745 152 E HN 0.301 nan 8.360 nan 0.000 0.458 153 M N -0.046 119.325 119.600 -0.381 0.000 2.132 153 M HA -0.144 4.337 4.480 0.002 0.000 0.263 153 M C 2.096 178.208 176.300 -0.312 0.000 1.065 153 M CA 1.003 55.868 55.300 -0.724 0.000 1.122 153 M CB -0.147 31.987 32.600 -0.777 0.000 1.365 153 M HN 0.098 nan 8.290 nan 0.000 0.411 154 I N 0.813 121.281 120.570 -0.170 0.000 2.208 154 I HA -0.236 3.935 4.170 0.002 0.000 0.245 154 I C 2.658 178.757 176.117 -0.029 0.000 1.097 154 I CA 1.644 62.896 61.300 -0.080 0.000 1.363 154 I CB -0.976 36.992 38.000 -0.054 0.000 1.051 154 I HN 0.207 nan 8.210 nan 0.000 0.413 155 A N -0.816 122.000 122.820 -0.007 0.000 1.930 155 A HA -0.271 4.050 4.320 0.002 0.000 0.217 155 A C 2.410 180.047 177.584 0.089 0.000 1.175 155 A CA 1.561 53.620 52.037 0.036 0.000 0.627 155 A CB -1.169 17.861 19.000 0.050 0.000 0.815 155 A HN 0.522 nan 8.150 nan 0.000 0.443 156 Y N 0.634 120.926 120.300 -0.013 0.000 2.224 156 Y HA -0.059 4.492 4.550 0.002 0.000 0.289 156 Y C 2.542 178.502 175.900 0.099 0.000 1.146 156 Y CA 1.053 59.206 58.100 0.088 0.000 1.182 156 Y CB -0.362 38.132 38.460 0.056 0.000 0.983 156 Y HN 0.319 nan 8.280 nan 0.000 0.524 157 A N 0.467 123.333 122.820 0.076 0.000 1.858 157 A HA -0.193 4.128 4.320 0.002 0.000 0.216 157 A C 2.085 179.672 177.584 0.005 0.000 1.190 157 A CA 1.911 53.961 52.037 0.022 0.000 0.617 157 A CB -0.727 18.278 19.000 0.009 0.000 0.827 157 A HN 0.622 nan 8.150 nan 0.000 0.443 158 E N -0.105 120.094 120.200 -0.002 0.000 2.031 158 E HA -0.137 4.214 4.350 0.002 0.000 0.193 158 E C 2.291 178.867 176.600 -0.041 0.000 0.994 158 E CA 0.978 57.370 56.400 -0.015 0.000 0.800 158 E CB -0.407 29.286 29.700 -0.013 0.000 0.752 158 E HN 0.579 nan 8.360 nan 0.000 0.447 159 A N 1.136 123.925 122.820 -0.052 0.000 2.042 159 A HA -0.228 4.093 4.320 0.002 0.000 0.222 159 A C 1.404 178.835 177.584 -0.255 0.000 1.167 159 A CA 1.833 53.795 52.037 -0.126 0.000 0.649 159 A CB -0.660 18.278 19.000 -0.104 0.000 0.809 159 A HN 0.274 nan 8.150 nan 0.000 0.457 160 H N -1.960 116.983 119.070 -0.212 0.000 2.594 160 H HA 0.387 4.944 4.556 0.002 0.000 0.279 160 H C 1.310 176.572 175.328 -0.109 0.000 1.042 160 H CA 0.382 56.310 56.048 -0.200 0.000 1.177 160 H CB 0.253 29.827 29.762 -0.314 0.000 1.524 160 H HN 0.568 nan 8.280 nan 0.000 0.537 161 G N 1.453 110.248 108.800 -0.008 0.000 2.338 161 G HA2 -0.284 3.678 3.960 0.002 0.000 0.296 161 G HA3 -0.284 3.678 3.960 0.002 0.000 0.296 161 G C -0.134 174.777 174.900 0.019 0.000 1.040 161 G CA 0.229 45.327 45.100 -0.004 0.000 1.004 161 G HN 0.377 nan 8.290 nan 0.000 0.509 162 I N 0.555 121.141 120.570 0.027 0.000 2.354 162 I HA 0.262 4.433 4.170 0.002 0.000 0.292 162 I C -1.691 174.440 176.117 0.023 0.000 0.989 162 I CA -2.511 58.810 61.300 0.036 0.000 1.188 162 I CB 1.669 39.699 38.000 0.050 0.000 1.342 162 I HN -0.083 nan 8.210 nan 0.000 0.457 163 P HA -0.022 nan 4.420 nan 0.000 0.266 163 P C -1.090 176.214 177.300 0.007 0.000 1.186 163 P CA 0.066 63.173 63.100 0.012 0.000 0.767 163 P CB 0.377 32.086 31.700 0.015 0.000 0.820 164 V N 0.510 120.422 119.914 -0.002 0.000 2.888 164 V HA 0.620 4.741 4.120 0.002 0.000 0.309 164 V C -2.174 173.912 176.094 -0.013 0.000 1.114 164 V CA -1.997 60.297 62.300 -0.009 0.000 0.940 164 V CB 0.407 32.222 31.823 -0.013 0.000 1.021 164 V HN 0.397 nan 8.190 nan 0.000 0.426 172 Y N -2.835 117.449 120.300 -0.027 0.000 2.717 172 Y HA 0.650 5.201 4.550 0.002 0.000 0.345 172 Y C -1.192 174.687 175.900 -0.035 0.000 1.187 172 Y CA -1.219 56.863 58.100 -0.031 0.000 1.128 172 Y CB 0.172 38.616 38.460 -0.026 0.000 1.360 172 Y HN -0.094 nan 8.280 nan 0.000 0.467 173 S N 3.030 118.836 115.700 0.176 0.000 2.489 173 S HA 0.875 5.346 4.470 0.002 0.000 0.291 173 S C -0.685 173.938 174.600 0.038 0.000 1.151 173 S CA -0.644 57.592 58.200 0.060 0.000 1.082 173 S CB 0.217 63.411 63.200 -0.010 0.000 1.019 173 S HN 0.833 nan 8.310 nan 0.000 0.492 174 M N 2.523 122.092 119.600 -0.052 0.000 2.572 174 M HA 0.687 5.168 4.480 0.002 0.000 0.299 174 M C -1.770 174.397 176.300 -0.223 0.000 1.205 174 M CA -0.894 54.252 55.300 -0.256 0.000 0.876 174 M CB 2.050 34.394 32.600 -0.425 0.000 1.728 174 M HN 0.482 nan 8.290 nan 0.000 0.458 175 D N 1.636 121.869 120.400 -0.279 0.000 2.696 175 D HA 0.737 5.378 4.640 0.002 0.000 0.251 175 D C -1.812 174.372 176.300 -0.193 0.000 1.188 175 D CA -0.007 53.896 54.000 -0.162 0.000 0.876 175 D CB 2.057 42.822 40.800 -0.058 0.000 1.334 175 D HN 0.939 nan 8.370 nan 0.000 0.540 176 A N 3.467 126.208 122.820 -0.131 0.000 2.355 176 A HA 0.810 5.131 4.320 0.002 0.000 0.317 176 A C -0.616 176.958 177.584 -0.018 0.000 1.094 176 A CA -0.700 51.286 52.037 -0.084 0.000 0.764 176 A CB 1.042 19.985 19.000 -0.096 0.000 1.230 176 A HN 0.721 nan 8.150 nan 0.000 0.448 177 N N 0.181 118.923 118.700 0.071 0.000 3.243 177 N HA 0.254 4.995 4.740 0.002 0.000 0.280 177 N C 0.090 175.696 175.510 0.160 0.000 1.545 177 N CA -0.848 52.227 53.050 0.043 0.000 0.854 177 N CB 0.264 38.704 38.487 -0.079 0.000 1.612 177 N HN 0.295 nan 8.380 nan 0.000 0.577 178 L N -0.469 120.887 121.223 0.222 0.000 2.261 178 L HA 0.010 4.352 4.340 0.002 0.000 0.216 178 L C 1.502 178.520 176.870 0.246 0.000 1.114 178 L CA 1.127 56.120 54.840 0.255 0.000 0.777 178 L CB -0.231 42.017 42.059 0.316 0.000 0.910 178 L HN 0.565 nan 8.230 nan 0.000 0.440 179 L N -1.677 119.736 121.223 0.317 0.000 2.253 179 L HA 0.026 4.367 4.340 0.002 0.000 0.205 179 L C 0.735 177.767 176.870 0.270 0.000 1.078 179 L CA 0.212 55.171 54.840 0.198 0.000 0.805 179 L CB 0.155 42.274 42.059 0.100 0.000 0.963 179 L HN 0.478 nan 8.230 nan 0.000 0.459 180 H N -2.305 116.857 119.070 0.153 0.000 2.888 180 H HA 0.396 4.953 4.556 0.002 0.000 0.267 180 H C -1.477 173.935 175.328 0.140 0.000 1.482 180 H CA -1.264 54.885 56.048 0.168 0.000 1.165 180 H CB 0.797 30.689 29.762 0.216 0.000 1.866 180 H HN -0.120 nan 8.280 nan 0.000 0.599 181 I N 1.496 121.937 120.570 -0.215 0.000 2.499 181 I HA 0.313 4.485 4.170 0.002 0.000 0.288 181 I C -0.269 175.457 176.117 -0.650 0.000 1.048 181 I CA -0.723 60.317 61.300 -0.434 0.000 1.062 181 I CB 1.984 39.871 38.000 -0.188 0.000 1.238 181 I HN 0.617 nan 8.210 nan 0.000 0.426 182 S N 5.945 121.179 115.700 -0.775 0.000 2.525 182 S HA 0.687 5.158 4.470 0.002 0.000 0.290 182 S C -1.412 172.798 174.600 -0.649 0.000 1.152 182 S CA -0.216 57.713 58.200 -0.452 0.000 1.072 182 S CB 0.729 63.910 63.200 -0.032 0.000 1.027 182 S HN 0.360 nan 8.310 nan 0.000 0.500 183 Y N 2.164 122.209 120.300 -0.424 0.000 2.373 183 Y HA 0.538 5.089 4.550 0.002 0.000 0.336 183 Y C 0.033 175.712 175.900 -0.369 0.000 0.979 183 Y CA -0.732 57.137 58.100 -0.384 0.000 1.080 183 Y CB 1.665 39.772 38.460 -0.588 0.000 1.190 183 Y HN 0.847 nan 8.280 nan 0.000 0.446 184 E N 1.252 121.407 120.200 -0.076 0.000 2.401 184 E HA 0.730 5.081 4.350 0.002 0.000 0.280 184 E C -0.390 176.214 176.600 0.006 0.000 1.039 184 E CA -1.067 55.291 56.400 -0.071 0.000 0.814 184 E CB 2.242 31.887 29.700 -0.092 0.000 1.275 184 E HN 0.976 nan 8.360 nan 0.000 0.448 185 G N -0.153 108.650 108.800 0.005 0.000 2.710 185 G HA2 0.305 4.266 3.960 0.002 0.000 0.668 185 G HA3 0.305 4.266 3.960 0.002 0.000 0.668 185 G C 0.657 175.591 174.900 0.057 0.000 1.320 185 G CA 0.215 45.329 45.100 0.023 0.000 0.860 185 G HN 1.842 nan 8.290 nan 0.000 0.538 186 G N -1.575 107.250 108.800 0.042 0.000 2.611 186 G HA2 -0.103 3.858 3.960 0.002 0.000 0.301 186 G HA3 -0.103 3.858 3.960 0.002 0.000 0.301 186 G C 1.488 176.417 174.900 0.049 0.000 1.233 186 G CA 2.217 47.344 45.100 0.046 0.000 0.993 186 G HN 2.096 nan 8.290 nan 0.000 0.553 187 V N 0.675 120.631 119.914 0.069 0.000 2.688 187 V HA -0.113 4.008 4.120 0.002 0.000 0.256 187 V C 2.855 178.962 176.094 0.021 0.000 1.084 187 V CA 2.150 64.479 62.300 0.048 0.000 1.103 187 V CB -0.459 31.401 31.823 0.062 0.000 0.688 187 V HN 0.478 nan 8.190 nan 0.000 0.480 188 L N -0.235 120.996 121.223 0.014 0.000 2.376 188 L HA -0.020 4.321 4.340 0.002 0.000 0.219 188 L C 2.246 179.109 176.870 -0.013 0.000 1.133 188 L CA 1.235 56.054 54.840 -0.034 0.000 0.816 188 L CB -1.104 40.909 42.059 -0.077 0.000 0.933 188 L HN 0.431 nan 8.230 nan 0.000 0.449 189 E N -0.772 119.434 120.200 0.009 0.000 2.401 189 E HA -0.165 4.186 4.350 0.002 0.000 0.199 189 E C 0.326 176.944 176.600 0.030 0.000 1.023 189 E CA 0.378 56.789 56.400 0.018 0.000 0.859 189 E CB -0.005 29.707 29.700 0.021 0.000 0.780 189 E HN 0.307 nan 8.360 nan 0.000 0.523 190 D N 0.715 121.136 120.400 0.036 0.000 2.428 190 D HA 0.033 4.674 4.640 0.002 0.000 0.221 190 D C -1.629 174.717 176.300 0.076 0.000 1.123 190 D CA -2.623 51.416 54.000 0.064 0.000 0.869 190 D CB 1.121 41.966 40.800 0.075 0.000 1.032 190 D HN -0.123 nan 8.370 nan 0.000 0.506 191 P HA -0.068 nan 4.420 nan 0.000 0.236 191 P C 0.852 178.259 177.300 0.178 0.000 1.172 191 P CA 0.402 63.562 63.100 0.101 0.000 0.759 191 P CB -0.012 31.746 31.700 0.098 0.000 0.843 192 W N 0.577 121.867 121.300 -0.017 0.000 3.220 192 W HA 0.448 5.109 4.660 0.002 0.000 0.328 192 W C -0.718 175.790 176.519 -0.020 0.000 1.205 192 W CA -0.069 57.267 57.345 -0.016 0.000 1.773 192 W CB 0.652 30.106 29.460 -0.010 0.000 1.086 192 W HN -0.181 nan 8.180 nan 0.000 0.622 193 A N 2.068 124.883 122.820 -0.008 0.000 2.260 193 A HA 0.275 4.596 4.320 0.002 0.000 0.314 193 A C -0.226 177.278 177.584 -0.134 0.000 1.257 193 A CA -0.423 51.557 52.037 -0.095 0.000 0.871 193 A CB 0.557 19.551 19.000 -0.010 0.000 1.166 193 A HN 0.352 nan 8.150 nan 0.000 0.522 194 E N 3.161 123.252 120.200 -0.182 0.000 2.415 194 E HA 0.228 4.579 4.350 0.002 0.000 0.262 194 E C -2.082 174.437 176.600 -0.135 0.000 1.038 194 E CA -1.280 55.025 56.400 -0.159 0.000 0.921 194 E CB 0.328 29.933 29.700 -0.159 0.000 0.950 194 E HN 0.410 nan 8.360 nan 0.000 0.438 195 P HA 0.055 nan 4.420 nan 0.000 0.267 195 P C -2.401 174.791 177.300 -0.181 0.000 1.200 195 P CA -0.721 62.245 63.100 -0.223 0.000 0.772 195 P CB 0.013 31.510 31.700 -0.338 0.000 0.855 196 P HA 0.039 nan 4.420 nan 0.000 0.269 196 P C -0.582 176.653 177.300 -0.108 0.000 1.215 196 P CA 0.027 63.064 63.100 -0.105 0.000 0.780 196 P CB 0.680 32.354 31.700 -0.043 0.000 0.898 197 K N 0.651 121.018 120.400 -0.057 0.000 2.382 197 K HA 0.278 4.599 4.320 0.002 0.000 0.275 197 K C 1.234 177.815 176.600 -0.031 0.000 1.009 197 K CA 0.556 56.823 56.287 -0.035 0.000 0.970 197 K CB -0.363 32.124 32.500 -0.022 0.000 0.934 197 K HN 0.840 nan 8.250 nan 0.000 0.479 198 G N 2.181 110.974 108.800 -0.012 0.000 2.153 198 G HA2 -0.325 3.636 3.960 0.002 0.000 0.252 198 G HA3 -0.325 3.636 3.960 0.002 0.000 0.252 198 G C 0.573 175.450 174.900 -0.038 0.000 0.994 198 G CA 0.665 45.764 45.100 -0.002 0.000 0.698 198 G HN 0.733 nan 8.290 nan 0.000 0.521 199 M N -0.771 118.724 119.600 -0.174 0.000 2.123 199 M HA 0.343 4.824 4.480 0.002 0.000 0.263 199 M C 1.094 177.097 176.300 -0.496 0.000 1.069 199 M CA 0.692 55.748 55.300 -0.407 0.000 1.133 199 M CB 0.068 32.147 32.600 -0.869 0.000 1.356 199 M HN 0.134 nan 8.290 nan 0.000 0.415 200 F N 0.985 120.720 119.950 -0.358 0.000 2.602 200 F HA -0.004 4.524 4.527 0.002 0.000 0.367 200 F C 1.464 177.251 175.800 -0.022 0.000 1.126 200 F CA 0.627 58.481 58.000 -0.244 0.000 1.321 200 F CB 0.368 39.257 39.000 -0.185 0.000 1.094 200 F HN 0.105 nan 8.300 nan 0.000 0.594 201 R N 1.584 122.260 120.500 0.292 0.000 2.412 201 R HA 0.174 4.515 4.340 0.002 0.000 0.212 201 R C 1.632 178.034 176.300 0.170 0.000 0.878 201 R CA 0.086 56.309 56.100 0.207 0.000 1.022 201 R CB 0.133 30.557 30.300 0.207 0.000 1.265 201 R HN 0.688 nan 8.270 nan 0.000 0.620 202 M N 1.164 120.889 119.600 0.208 0.000 2.435 202 M HA 0.063 4.544 4.480 0.002 0.000 0.265 202 M C -0.008 176.359 176.300 0.112 0.000 1.104 202 M CA 0.958 56.348 55.300 0.149 0.000 1.140 202 M CB 0.731 33.431 32.600 0.167 0.000 1.372 202 M HN 0.000 nan 8.290 nan 0.000 0.456 203 T N -1.362 113.256 114.554 0.107 0.000 2.856 203 T HA 0.346 4.697 4.350 0.002 0.000 0.283 203 T C -0.643 174.053 174.700 -0.007 0.000 1.008 203 T CA -0.883 61.230 62.100 0.022 0.000 0.997 203 T CB 2.065 70.899 68.868 -0.056 0.000 0.992 203 T HN 0.321 nan 8.240 nan 0.000 0.454 204 Q N 1.400 121.179 119.800 -0.034 0.000 2.327 204 Q HA 0.169 4.510 4.340 0.002 0.000 0.254 204 Q C -0.317 175.632 176.000 -0.085 0.000 0.952 204 Q CA -0.584 55.191 55.803 -0.047 0.000 0.884 204 Q CB 0.692 29.391 28.738 -0.064 0.000 1.224 204 Q HN 0.787 nan 8.270 nan 0.000 0.422 205 D N 4.663 125.021 120.400 -0.069 0.000 2.472 205 D HA -0.012 4.629 4.640 0.002 0.000 0.248 205 D C -1.860 174.374 176.300 -0.109 0.000 1.174 205 D CA -1.318 52.628 54.000 -0.091 0.000 0.883 205 D CB 1.101 41.872 40.800 -0.048 0.000 1.149 205 D HN 0.369 nan 8.370 nan 0.000 0.488 206 P HA -0.171 nan 4.420 nan 0.000 0.218 206 P C 0.550 177.770 177.300 -0.132 0.000 1.146 206 P CA 1.206 64.221 63.100 -0.141 0.000 0.820 206 P CB 0.202 31.811 31.700 -0.152 0.000 0.778 207 E N -0.980 119.159 120.200 -0.103 0.000 2.418 207 E HA -0.103 4.248 4.350 0.002 0.000 0.197 207 E C 1.283 177.840 176.600 -0.073 0.000 1.026 207 E CA 0.736 57.086 56.400 -0.083 0.000 0.862 207 E CB -0.319 29.344 29.700 -0.061 0.000 0.799 207 E HN 0.331 nan 8.360 nan 0.000 0.518 208 E N -0.407 119.746 120.200 -0.077 0.000 2.526 208 E HA 0.245 4.596 4.350 0.002 0.000 0.208 208 E C 0.097 176.646 176.600 -0.084 0.000 0.997 208 E CA -0.050 56.310 56.400 -0.066 0.000 0.961 208 E CB 0.646 30.315 29.700 -0.052 0.000 1.030 208 E HN 0.121 nan 8.360 nan 0.000 0.483 209 A N 2.697 125.450 122.820 -0.112 0.000 2.332 209 A HA 0.430 4.751 4.320 0.002 0.000 0.258 209 A C -2.249 175.265 177.584 -0.116 0.000 1.087 209 A CA -1.173 50.776 52.037 -0.146 0.000 0.802 209 A CB -0.258 18.648 19.000 -0.157 0.000 1.042 209 A HN -0.150 nan 8.150 nan 0.000 0.489 210 P HA -0.025 nan 4.420 nan 0.000 0.266 210 P C -0.474 176.866 177.300 0.066 0.000 1.180 210 P CA 0.711 63.798 63.100 -0.023 0.000 0.765 210 P CB 0.327 32.016 31.700 -0.018 0.000 0.806 211 D N 0.415 120.874 120.400 0.099 0.000 2.323 211 D HA 0.113 4.754 4.640 0.002 0.000 0.209 211 D C 0.504 176.960 176.300 0.260 0.000 0.973 211 D CA 0.564 54.666 54.000 0.169 0.000 0.874 211 D CB 0.076 40.939 40.800 0.105 0.000 0.930 211 D HN 0.343 nan 8.370 nan 0.000 0.521 212 A N 1.138 124.084 122.820 0.209 0.000 2.288 212 A HA 0.545 4.866 4.320 0.002 0.000 0.320 212 A C -2.396 175.328 177.584 0.234 0.000 1.217 212 A CA -1.452 50.691 52.037 0.176 0.000 0.840 212 A CB 0.693 19.765 19.000 0.121 0.000 1.179 212 A HN -0.124 nan 8.150 nan 0.000 0.504 213 P HA 0.211 nan 4.420 nan 0.000 0.270 213 P C -0.427 176.856 177.300 -0.028 0.000 1.223 213 P CA -0.046 63.092 63.100 0.062 0.000 0.785 213 P CB 0.569 32.149 31.700 -0.200 0.000 0.923 214 E N 0.825 120.910 120.200 -0.193 0.000 2.248 214 E HA 0.308 4.659 4.350 0.002 0.000 0.267 214 E C -1.288 175.180 176.600 -0.220 0.000 0.877 214 E CA -0.668 55.665 56.400 -0.112 0.000 0.759 214 E CB 0.731 30.395 29.700 -0.060 0.000 1.182 214 E HN 0.292 nan 8.360 nan 0.000 0.418 215 Y N 1.763 122.056 120.300 -0.012 0.000 2.334 215 Y HA 0.497 5.048 4.550 0.002 0.000 0.328 215 Y C -0.070 175.833 175.900 0.006 0.000 1.130 215 Y CA -0.518 57.579 58.100 -0.005 0.000 1.163 215 Y CB 1.857 40.318 38.460 0.002 0.000 1.207 215 Y HN 0.255 nan 8.280 nan 0.000 0.471 216 V N 3.343 123.349 119.914 0.153 0.000 2.841 216 V HA 0.520 4.641 4.120 0.002 0.000 0.310 216 V C -1.308 174.851 176.094 0.108 0.000 1.090 216 V CA -0.617 61.747 62.300 0.106 0.000 0.930 216 V CB 2.148 34.011 31.823 0.067 0.000 1.014 216 V HN 0.875 nan 8.190 nan 0.000 0.425 217 E N 4.081 124.333 120.200 0.087 0.000 2.222 217 E HA 0.688 5.039 4.350 0.002 0.000 0.267 217 E C -1.605 175.033 176.600 0.063 0.000 0.884 217 E CA -0.719 55.729 56.400 0.081 0.000 0.764 217 E CB 2.628 32.368 29.700 0.066 0.000 1.169 217 E HN 0.509 nan 8.360 nan 0.000 0.413 218 V N 2.246 122.209 119.914 0.082 0.000 2.531 218 V HA 0.243 4.364 4.120 0.002 0.000 0.301 218 V C -0.283 175.847 176.094 0.059 0.000 1.034 218 V CA -0.790 61.528 62.300 0.029 0.000 0.865 218 V CB 1.748 33.588 31.823 0.028 0.000 0.995 218 V HN 0.669 nan 8.190 nan 0.000 0.424 219 E N 3.348 123.526 120.200 -0.038 0.000 2.197 219 E HA 0.548 4.899 4.350 0.002 0.000 0.281 219 E C -1.758 174.786 176.600 -0.093 0.000 0.995 219 E CA -0.474 55.943 56.400 0.028 0.000 0.808 219 E CB 1.089 30.801 29.700 0.021 0.000 1.093 219 E HN 0.497 nan 8.360 nan 0.000 0.394 220 F N 3.724 123.681 119.950 0.011 0.000 2.469 220 F HA 0.435 4.963 4.527 0.002 0.000 0.332 220 F C -0.550 175.300 175.800 0.084 0.000 1.103 220 F CA -0.814 57.184 58.000 -0.003 0.000 0.979 220 F CB 1.308 40.267 39.000 -0.068 0.000 1.137 220 F HN 0.379 nan 8.300 nan 0.000 0.463 221 F N 3.234 123.226 119.950 0.069 0.000 2.716 221 F HA 0.403 4.931 4.527 0.002 0.000 0.354 221 F C -0.145 175.670 175.800 0.025 0.000 1.168 221 F CA -1.266 56.756 58.000 0.037 0.000 1.045 221 F CB 0.488 39.493 39.000 0.008 0.000 1.311 221 F HN 0.772 nan 8.300 nan 0.000 0.477 222 E N 2.963 122.886 120.200 -0.461 0.000 3.435 222 E HA -0.148 4.203 4.350 0.002 0.000 0.312 222 E C 1.014 177.527 176.600 -0.145 0.000 0.869 222 E CA 0.635 56.788 56.400 -0.411 0.000 1.112 222 E CB -1.527 27.855 29.700 -0.531 0.000 1.561 222 E HN 1.338 nan 8.360 nan 0.000 0.417 223 G N -0.412 108.352 108.800 -0.061 0.000 2.194 223 G HA2 -0.225 3.736 3.960 0.002 0.000 0.236 223 G HA3 -0.225 3.736 3.960 0.002 0.000 0.236 223 G C -0.311 174.609 174.900 0.033 0.000 0.987 223 G CA 0.207 45.290 45.100 -0.029 0.000 0.635 223 G HN 0.252 nan 8.290 nan 0.000 0.520 224 D N 1.359 121.769 120.400 0.017 0.000 2.481 224 D HA 0.506 5.147 4.640 0.002 0.000 0.244 224 D C -2.621 173.469 176.300 -0.350 0.000 1.057 224 D CA -1.271 52.575 54.000 -0.257 0.000 0.848 224 D CB 2.555 43.222 40.800 -0.222 0.000 1.388 224 D HN 0.108 nan 8.370 nan 0.000 0.475 225 P HA 0.028 nan 4.420 nan 0.000 0.276 225 P C 0.594 177.691 177.300 -0.338 0.000 1.235 225 P CA -0.263 62.291 63.100 -0.910 0.000 0.772 225 P CB 1.285 32.407 31.700 -0.962 0.000 0.871 226 V N -0.222 119.558 119.914 -0.224 0.000 3.502 226 V HA 0.704 4.825 4.120 0.002 0.000 0.288 226 V C 0.300 176.360 176.094 -0.057 0.000 1.461 226 V CA 0.203 62.463 62.300 -0.067 0.000 1.029 226 V CB -0.059 31.750 31.823 -0.024 0.000 0.843 226 V HN 0.653 nan 8.190 nan 0.000 0.438 227 A N -0.302 122.465 122.820 -0.087 0.000 2.604 227 A HA 0.817 5.138 4.320 0.002 0.000 0.295 227 A C -1.389 176.166 177.584 -0.048 0.000 1.067 227 A CA -0.386 51.622 52.037 -0.048 0.000 0.683 227 A CB 2.107 21.090 19.000 -0.030 0.000 1.281 227 A HN 0.561 nan 8.150 nan 0.000 0.407 228 V N 2.530 122.434 119.914 -0.017 0.000 2.531 228 V HA 0.398 4.519 4.120 0.002 0.000 0.301 228 V C -0.079 176.024 176.094 0.016 0.000 1.034 228 V CA -0.745 61.555 62.300 0.000 0.000 0.865 228 V CB 1.452 33.282 31.823 0.011 0.000 0.995 228 V HN 0.969 nan 8.190 nan 0.000 0.424 229 N N 3.898 122.613 118.700 0.026 0.000 2.716 229 N HA -0.230 4.511 4.740 0.002 0.000 0.250 229 N C 1.213 176.735 175.510 0.020 0.000 1.033 229 N CA 1.506 54.574 53.050 0.031 0.000 0.727 229 N CB -0.961 37.549 38.487 0.039 0.000 0.950 229 N HN 1.588 nan 8.380 nan 0.000 0.541 230 G N -0.618 108.190 108.800 0.014 0.000 2.179 230 G HA2 -0.354 3.607 3.960 0.002 0.000 0.260 230 G HA3 -0.354 3.607 3.960 0.002 0.000 0.260 230 G C -0.195 174.707 174.900 0.003 0.000 0.977 230 G CA 0.636 45.741 45.100 0.008 0.000 0.641 230 G HN 0.644 nan 8.290 nan 0.000 0.533 231 E N 1.130 121.333 120.200 0.004 0.000 2.115 231 E HA 0.415 4.766 4.350 0.002 0.000 0.282 231 E C 0.529 177.127 176.600 -0.004 0.000 0.987 231 E CA -0.992 55.409 56.400 0.002 0.000 0.797 231 E CB 0.405 30.110 29.700 0.009 0.000 1.086 231 E HN 0.196 nan 8.360 nan 0.000 0.397 232 R N 3.980 124.475 120.500 -0.009 0.000 2.489 232 R HA 0.263 4.604 4.340 0.002 0.000 0.287 232 R C -0.266 176.033 176.300 -0.003 0.000 1.053 232 R CA 0.186 56.278 56.100 -0.014 0.000 1.036 232 R CB -0.026 30.261 30.300 -0.021 0.000 0.966 232 R HN 0.530 nan 8.270 nan 0.000 0.432 233 L N 0.931 122.156 121.223 0.003 0.000 2.445 233 L HA 0.273 4.614 4.340 0.002 0.000 0.262 233 L C 0.357 177.244 176.870 0.029 0.000 0.974 233 L CA -0.916 53.933 54.840 0.015 0.000 0.822 233 L CB 2.338 44.409 42.059 0.019 0.000 1.339 233 L HN 0.705 nan 8.230 nan 0.000 0.409 234 S N 0.963 116.678 115.700 0.024 0.000 2.589 234 S HA 0.249 4.720 4.470 0.002 0.000 0.265 234 S C -2.035 172.579 174.600 0.024 0.000 1.342 234 S CA -0.861 57.353 58.200 0.024 0.000 1.005 234 S CB 0.758 63.964 63.200 0.009 0.000 0.909 234 S HN 0.429 nan 8.310 nan 0.000 0.555 235 P HA -0.161 nan 4.420 nan 0.000 0.214 235 P C 1.671 178.878 177.300 -0.154 0.000 1.169 235 P CA 2.249 65.251 63.100 -0.163 0.000 0.908 235 P CB -0.289 31.084 31.700 -0.545 0.000 0.791 236 A N -0.465 122.279 122.820 -0.126 0.000 1.902 236 A HA -0.099 4.222 4.320 0.002 0.000 0.217 236 A C 2.327 179.907 177.584 -0.006 0.000 1.181 236 A CA 2.134 54.134 52.037 -0.061 0.000 0.623 236 A CB -1.637 17.350 19.000 -0.022 0.000 0.818 236 A HN 0.195 nan 8.150 nan 0.000 0.443 237 A N -0.397 122.425 122.820 0.003 0.000 1.902 237 A HA -0.057 4.264 4.320 0.002 0.000 0.217 237 A C 2.215 179.817 177.584 0.030 0.000 1.181 237 A CA 1.508 53.556 52.037 0.019 0.000 0.623 237 A CB -0.620 18.391 19.000 0.018 0.000 0.818 237 A HN 0.608 nan 8.150 nan 0.000 0.443 238 L N -0.830 120.416 121.223 0.038 0.000 2.046 238 L HA -0.106 4.235 4.340 0.002 0.000 0.208 238 L C 2.440 179.348 176.870 0.063 0.000 1.077 238 L CA 1.362 56.234 54.840 0.054 0.000 0.747 238 L CB -0.151 41.961 42.059 0.089 0.000 0.896 238 L HN 0.470 nan 8.230 nan 0.000 0.432 239 L N -0.578 120.686 121.223 0.068 0.000 2.093 239 L HA -0.239 4.102 4.340 0.002 0.000 0.208 239 L C 2.615 179.523 176.870 0.064 0.000 1.085 239 L CA 1.397 56.281 54.840 0.072 0.000 0.755 239 L CB -0.190 41.897 42.059 0.046 0.000 0.904 239 L HN 0.444 nan 8.230 nan 0.000 0.435 240 Q N 0.445 120.277 119.800 0.053 0.000 2.061 240 Q HA -0.290 4.051 4.340 0.002 0.000 0.204 240 Q C 2.149 178.182 176.000 0.055 0.000 0.984 240 Q CA 2.031 57.867 55.803 0.054 0.000 0.846 240 Q CB -0.267 28.498 28.738 0.044 0.000 0.902 240 Q HN 0.203 nan 8.270 nan 0.000 0.421 241 R N 0.096 120.626 120.500 0.049 0.000 2.094 241 R HA -0.084 4.257 4.340 0.002 0.000 0.239 241 R C 2.169 178.505 176.300 0.059 0.000 1.137 241 R CA 2.010 58.140 56.100 0.049 0.000 0.943 241 R CB -0.967 29.358 30.300 0.041 0.000 0.850 241 R HN 0.481 nan 8.270 nan 0.000 0.433 242 L N 0.608 121.868 121.223 0.061 0.000 2.275 242 L HA -0.130 4.211 4.340 0.002 0.000 0.215 242 L C 1.784 178.703 176.870 0.081 0.000 1.119 242 L CA 0.956 55.838 54.840 0.070 0.000 0.790 242 L CB -0.539 41.561 42.059 0.068 0.000 0.919 242 L HN 0.275 nan 8.230 nan 0.000 0.443 243 N N 0.222 118.970 118.700 0.080 0.000 2.171 243 N HA -0.151 4.590 4.740 0.002 0.000 0.184 243 N C 1.712 177.270 175.510 0.080 0.000 1.021 243 N CA 1.098 54.199 53.050 0.086 0.000 0.854 243 N CB -0.028 38.511 38.487 0.087 0.000 0.994 243 N HN 0.422 nan 8.380 nan 0.000 0.426 244 E N 0.774 121.017 120.200 0.071 0.000 2.031 244 E HA -0.085 4.266 4.350 0.002 0.000 0.193 244 E C 2.059 178.707 176.600 0.080 0.000 0.994 244 E CA 0.825 57.264 56.400 0.064 0.000 0.800 244 E CB -0.088 29.645 29.700 0.055 0.000 0.752 244 E HN 0.314 nan 8.360 nan 0.000 0.447 245 I N 0.686 121.314 120.570 0.097 0.000 2.179 245 I HA -0.190 3.981 4.170 0.002 0.000 0.242 245 I C 2.553 178.792 176.117 0.203 0.000 1.088 245 I CA 1.316 62.701 61.300 0.142 0.000 1.357 245 I CB -0.564 37.504 38.000 0.114 0.000 1.051 245 I HN 0.182 nan 8.210 nan 0.000 0.409 246 G N 0.301 109.186 108.800 0.141 0.000 2.403 246 G HA2 -0.122 3.839 3.960 0.002 0.000 0.216 246 G HA3 -0.122 3.839 3.960 0.002 0.000 0.216 246 G C 1.715 176.690 174.900 0.125 0.000 1.154 246 G CA 0.721 45.904 45.100 0.138 0.000 0.784 246 G HN 0.489 nan 8.290 nan 0.000 0.538 247 G N 0.540 109.394 108.800 0.090 0.000 2.446 247 G HA2 -0.255 3.706 3.960 0.002 0.000 0.217 247 G HA3 -0.255 3.706 3.960 0.002 0.000 0.217 247 G C 1.767 176.675 174.900 0.013 0.000 1.168 247 G CA 1.030 46.162 45.100 0.052 0.000 0.771 247 G HN 0.454 nan 8.290 nan 0.000 0.551 248 R N -0.247 120.251 120.500 -0.002 0.000 2.154 248 R HA -0.177 4.164 4.340 0.002 0.000 0.248 248 R C 1.954 178.094 176.300 -0.267 0.000 1.155 248 R CA 1.796 57.819 56.100 -0.129 0.000 0.979 248 R CB -0.281 29.925 30.300 -0.157 0.000 0.869 248 R HN 0.549 nan 8.270 nan 0.000 0.452 249 H N -1.982 117.076 119.070 -0.020 0.000 2.551 249 H HA 0.244 4.801 4.556 0.002 0.000 0.271 249 H C 0.874 176.154 175.328 -0.079 0.000 0.984 249 H CA 0.629 56.650 56.048 -0.045 0.000 1.164 249 H CB 1.077 30.825 29.762 -0.023 0.000 1.437 249 H HN 0.498 nan 8.280 nan 0.000 0.550 250 G N 0.719 109.512 108.800 -0.012 0.000 2.176 250 G HA2 -0.281 3.680 3.960 0.002 0.000 0.252 250 G HA3 -0.281 3.680 3.960 0.002 0.000 0.252 250 G C 0.039 174.888 174.900 -0.085 0.000 1.024 250 G CA 0.327 45.377 45.100 -0.084 0.000 0.755 250 G HN 0.253 nan 8.290 nan 0.000 0.507 251 V N -0.304 119.601 119.914 -0.014 0.000 2.834 251 V HA 0.639 4.760 4.120 0.002 0.000 0.301 251 V C 1.726 177.818 176.094 -0.004 0.000 1.066 251 V CA 1.305 63.599 62.300 -0.010 0.000 1.052 251 V CB 1.333 33.175 31.823 0.032 0.000 1.021 251 V HN 1.988 nan 8.190 nan 0.000 0.480 252 G N 3.624 112.428 108.800 0.008 0.000 2.165 252 G HA2 -0.205 3.756 3.960 0.002 0.000 0.226 252 G HA3 -0.205 3.756 3.960 0.002 0.000 0.226 252 G C 0.018 174.948 174.900 0.049 0.000 1.035 252 G CA -0.213 44.918 45.100 0.051 0.000 0.744 252 G HN 0.643 nan 8.290 nan 0.000 0.501 253 R N -0.679 119.800 120.500 -0.035 0.000 2.294 253 R HA 0.700 5.041 4.340 0.002 0.000 0.319 253 R C -0.493 175.826 176.300 0.032 0.000 0.984 253 R CA -0.581 55.485 56.100 -0.058 0.000 0.861 253 R CB 2.522 32.605 30.300 -0.361 0.000 1.104 253 R HN 0.296 nan 8.270 nan 0.000 0.451 254 V N 2.182 122.180 119.914 0.141 0.000 2.925 254 V HA 0.368 4.489 4.120 0.002 0.000 0.311 254 V C -1.609 174.552 176.094 0.111 0.000 1.104 254 V CA -0.620 61.743 62.300 0.105 0.000 0.954 254 V CB 2.409 34.343 31.823 0.184 0.000 1.022 254 V HN 0.760 nan 8.190 nan 0.000 0.427 255 D N 5.499 125.886 120.400 -0.023 0.000 2.542 255 D HA 0.517 5.158 4.640 0.002 0.000 0.252 255 D C -0.802 175.446 176.300 -0.085 0.000 1.222 255 D CA -0.108 53.866 54.000 -0.043 0.000 0.895 255 D CB 1.413 42.172 40.800 -0.069 0.000 1.207 255 D HN 0.749 nan 8.370 nan 0.000 0.558 256 I N -0.430 120.137 120.570 -0.004 0.000 3.074 256 I HA 0.627 4.798 4.170 0.002 0.000 0.310 256 I C -1.351 174.793 176.117 0.046 0.000 1.153 256 I CA -1.044 60.261 61.300 0.009 0.000 0.993 256 I CB 2.408 40.457 38.000 0.082 0.000 1.237 256 I HN -0.057 nan 8.210 nan 0.000 0.443 257 V N 3.763 123.708 119.914 0.052 0.000 2.313 257 V HA 0.306 4.427 4.120 0.002 0.000 0.278 257 V C 0.114 176.261 176.094 0.089 0.000 1.017 257 V CA -0.333 62.007 62.300 0.066 0.000 0.823 257 V CB 0.856 32.714 31.823 0.058 0.000 1.010 257 V HN 0.885 nan 8.190 nan 0.000 0.443 258 E N 4.641 124.914 120.200 0.121 0.000 2.239 258 E HA 0.413 4.764 4.350 0.002 0.000 0.261 258 E C -0.927 175.791 176.600 0.197 0.000 1.016 258 E CA -0.998 55.492 56.400 0.152 0.000 0.882 258 E CB 1.466 31.285 29.700 0.198 0.000 1.190 258 E HN 0.474 nan 8.360 nan 0.000 0.415 259 N N 1.814 120.662 118.700 0.246 0.000 2.437 259 N HA 0.196 4.937 4.740 0.002 0.000 0.259 259 N C -0.518 175.294 175.510 0.505 0.000 0.983 259 N CA -0.323 52.909 53.050 0.303 0.000 0.937 259 N CB 1.264 39.911 38.487 0.266 0.000 1.122 259 N HN 0.314 nan 8.380 nan 0.000 0.499 260 R N 0.694 121.450 120.500 0.427 0.000 2.679 260 R HA 0.103 4.444 4.340 0.002 0.000 0.269 260 R C 1.100 177.696 176.300 0.495 0.000 1.076 260 R CA -0.476 55.913 56.100 0.481 0.000 1.160 260 R CB 0.563 31.009 30.300 0.244 0.000 1.054 260 R HN 0.453 nan 8.270 nan 0.000 0.507 261 F N 1.710 121.804 119.950 0.240 0.000 2.293 261 F HA -0.083 4.445 4.527 0.002 0.000 0.300 261 F C 1.599 177.364 175.800 -0.059 0.000 1.086 261 F CA 1.062 59.052 58.000 -0.016 0.000 1.375 261 F CB 0.014 38.912 39.000 -0.169 0.000 1.045 261 F HN 0.193 nan 8.300 nan 0.000 0.516 262 V N -0.133 119.780 119.914 -0.002 0.000 3.510 262 V HA 0.127 4.248 4.120 0.002 0.000 0.270 262 V C 1.801 177.860 176.094 -0.058 0.000 1.201 262 V CA 1.291 63.517 62.300 -0.124 0.000 1.166 262 V CB -0.471 31.313 31.823 -0.064 0.000 0.825 262 V HN 0.700 nan 8.190 nan 0.000 0.484 263 G N -0.123 108.692 108.800 0.024 0.000 2.391 263 G HA2 -0.192 3.769 3.960 0.002 0.000 0.204 263 G HA3 -0.192 3.769 3.960 0.002 0.000 0.204 263 G C -0.007 174.937 174.900 0.074 0.000 1.012 263 G CA 0.005 45.130 45.100 0.041 0.000 0.651 263 G HN 0.456 nan 8.290 nan 0.000 0.494 264 M N 0.759 120.407 119.600 0.079 0.000 2.654 264 M HA 0.823 5.304 4.480 0.002 0.000 0.310 264 M C -0.085 176.282 176.300 0.112 0.000 1.211 264 M CA -1.205 54.144 55.300 0.081 0.000 0.947 264 M CB 0.632 33.265 32.600 0.056 0.000 1.647 264 M HN 0.038 nan 8.290 nan 0.000 0.481 265 K N 0.269 120.727 120.400 0.097 0.000 2.185 265 K HA 0.634 4.955 4.320 0.002 0.000 0.271 265 K C -0.565 176.091 176.600 0.093 0.000 1.013 265 K CA -0.429 55.921 56.287 0.106 0.000 0.943 265 K CB 1.232 33.783 32.500 0.085 0.000 0.998 265 K HN 0.734 nan 8.250 nan 0.000 0.468 266 S N 1.176 116.938 115.700 0.103 0.000 2.548 266 S HA 0.264 4.735 4.470 0.002 0.000 0.276 266 S C -1.349 173.291 174.600 0.067 0.000 1.129 266 S CA -0.917 57.331 58.200 0.079 0.000 0.931 266 S CB 1.184 64.439 63.200 0.092 0.000 1.068 266 S HN 0.498 nan 8.310 nan 0.000 0.480 267 R N 2.738 123.258 120.500 0.032 0.000 2.216 267 R HA 0.542 4.883 4.340 0.002 0.000 0.332 267 R C 0.006 176.279 176.300 -0.045 0.000 1.056 267 R CA -0.048 56.055 56.100 0.006 0.000 0.901 267 R CB 0.300 30.598 30.300 -0.003 0.000 1.039 267 R HN 0.800 nan 8.270 nan 0.000 0.456 268 G N 1.809 110.570 108.800 -0.064 0.000 2.524 268 G HA2 0.557 4.518 3.960 0.002 0.000 0.310 268 G HA3 0.557 4.518 3.960 0.002 0.000 0.310 268 G C -1.447 173.202 174.900 -0.420 0.000 1.279 268 G CA -0.376 44.563 45.100 -0.267 0.000 0.974 268 G HN 0.371 nan 8.290 nan 0.000 0.484 269 V N 1.187 120.688 119.914 -0.688 0.000 2.588 269 V HA 0.607 4.728 4.120 0.002 0.000 0.304 269 V C -1.298 174.446 176.094 -0.583 0.000 1.042 269 V CA -0.678 61.356 62.300 -0.444 0.000 0.877 269 V CB 1.230 32.853 31.823 -0.333 0.000 0.996 269 V HN 0.701 nan 8.190 nan 0.000 0.425 270 Y N 1.946 122.390 120.300 0.241 0.000 2.492 270 Y HA 0.619 5.170 4.550 0.002 0.000 0.346 270 Y C 0.053 176.171 175.900 0.363 0.000 0.997 270 Y CA -1.068 57.224 58.100 0.319 0.000 1.025 270 Y CB 2.027 40.732 38.460 0.409 0.000 1.263 270 Y HN 0.730 nan 8.280 nan 0.000 0.454 271 E N 0.123 120.629 120.200 0.510 0.000 2.185 271 E HA 0.597 4.948 4.350 0.002 0.000 0.261 271 E C -1.339 175.458 176.600 0.329 0.000 0.879 271 E CA -1.041 55.580 56.400 0.368 0.000 0.756 271 E CB 1.656 31.597 29.700 0.403 0.000 1.152 271 E HN 0.535 nan 8.360 nan 0.000 0.416 272 T N 4.691 119.398 114.554 0.255 0.000 3.504 272 T HA 0.198 4.549 4.350 0.002 0.000 0.286 272 T C -1.911 172.878 174.700 0.147 0.000 1.530 272 T CA -1.177 61.058 62.100 0.224 0.000 1.652 272 T CB 0.710 69.699 68.868 0.202 0.000 0.895 272 T HN 0.372 nan 8.240 nan 0.000 0.674 273 P HA -0.190 nan 4.420 nan 0.000 0.211 273 P C 1.905 179.268 177.300 0.105 0.000 1.181 273 P CA 1.574 64.736 63.100 0.103 0.000 0.929 273 P CB -0.171 31.586 31.700 0.095 0.000 0.789 274 G N -0.376 108.488 108.800 0.106 0.000 2.440 274 G HA2 -0.222 3.739 3.960 0.002 0.000 0.218 274 G HA3 -0.222 3.739 3.960 0.002 0.000 0.218 274 G C 1.981 176.942 174.900 0.103 0.000 1.154 274 G CA 1.166 46.326 45.100 0.100 0.000 0.767 274 G HN 0.456 nan 8.290 nan 0.000 0.552 275 G N -0.051 108.809 108.800 0.100 0.000 2.432 275 G HA2 -0.114 3.847 3.960 0.002 0.000 0.219 275 G HA3 -0.114 3.847 3.960 0.002 0.000 0.219 275 G C 1.819 176.779 174.900 0.100 0.000 1.135 275 G CA 1.692 46.845 45.100 0.088 0.000 0.767 275 G HN 0.396 nan 8.290 nan 0.000 0.550 276 T N 1.162 115.778 114.554 0.103 0.000 2.821 276 T HA 0.023 4.374 4.350 0.002 0.000 0.267 276 T C 2.372 177.192 174.700 0.199 0.000 1.046 276 T CA 0.649 62.820 62.100 0.119 0.000 1.139 276 T CB -0.085 68.857 68.868 0.123 0.000 0.871 276 T HN 0.246 nan 8.240 nan 0.000 0.454 277 I N 0.772 121.445 120.570 0.171 0.000 2.226 277 I HA -0.124 4.047 4.170 0.002 0.000 0.245 277 I C 2.237 178.464 176.117 0.184 0.000 1.100 277 I CA 1.205 62.611 61.300 0.178 0.000 1.374 277 I CB -0.352 37.722 38.000 0.122 0.000 1.057 277 I HN 0.202 nan 8.210 nan 0.000 0.413 278 L N -0.619 120.699 121.223 0.158 0.000 2.083 278 L HA -0.257 4.084 4.340 0.002 0.000 0.209 278 L C 2.670 179.627 176.870 0.145 0.000 1.083 278 L CA 1.373 56.321 54.840 0.180 0.000 0.752 278 L CB -0.705 41.432 42.059 0.130 0.000 0.899 278 L HN 0.266 nan 8.230 nan 0.000 0.433 279 Y N 0.377 120.650 120.300 -0.045 0.000 2.097 279 Y HA -0.308 4.243 4.550 0.002 0.000 0.282 279 Y C 2.880 178.649 175.900 -0.218 0.000 1.152 279 Y CA 1.859 59.845 58.100 -0.189 0.000 1.136 279 Y CB -0.275 37.979 38.460 -0.343 0.000 0.975 279 Y HN 0.194 nan 8.280 nan 0.000 0.498 280 H N -0.706 118.406 119.070 0.070 0.000 2.428 280 H HA 0.016 4.573 4.556 0.002 0.000 0.296 280 H C 2.301 177.581 175.328 -0.079 0.000 1.062 280 H CA 1.071 57.102 56.048 -0.027 0.000 1.350 280 H CB -0.606 29.195 29.762 0.066 0.000 1.403 280 H HN 0.514 nan 8.280 nan 0.000 0.533 281 A N 1.391 124.273 122.820 0.105 0.000 1.898 281 A HA -0.164 4.157 4.320 0.002 0.000 0.216 281 A C 2.525 179.995 177.584 -0.190 0.000 1.181 281 A CA 1.405 53.507 52.037 0.107 0.000 0.620 281 A CB -0.430 18.770 19.000 0.334 0.000 0.819 281 A HN 0.327 nan 8.150 nan 0.000 0.442 282 R N -0.337 119.949 120.500 -0.357 0.000 2.070 282 R HA -0.122 4.219 4.340 0.002 0.000 0.233 282 R C 2.325 178.277 176.300 -0.580 0.000 1.137 282 R CA 1.618 57.217 56.100 -0.834 0.000 0.945 282 R CB -0.333 29.636 30.300 -0.553 0.000 0.845 282 R HN 0.469 nan 8.270 nan 0.000 0.430 283 R N 0.036 120.265 120.500 -0.452 0.000 2.127 283 R HA -0.110 4.231 4.340 0.002 0.000 0.238 283 R C 2.328 178.488 176.300 -0.233 0.000 1.134 283 R CA 1.265 57.159 56.100 -0.343 0.000 0.975 283 R CB -0.357 29.740 30.300 -0.338 0.000 0.865 283 R HN 0.345 nan 8.270 nan 0.000 0.447 284 A N 0.718 123.422 122.820 -0.194 0.000 1.877 284 A HA -0.113 4.208 4.320 0.002 0.000 0.216 284 A C 2.351 179.840 177.584 -0.159 0.000 1.186 284 A CA 1.426 53.387 52.037 -0.127 0.000 0.620 284 A CB -0.480 18.482 19.000 -0.063 0.000 0.822 284 A HN 0.116 nan 8.150 nan 0.000 0.443 285 V N 0.178 119.945 119.914 -0.245 0.000 2.427 285 V HA -0.234 3.887 4.120 0.002 0.000 0.248 285 V C 2.298 178.260 176.094 -0.220 0.000 1.051 285 V CA 2.090 64.249 62.300 -0.234 0.000 1.048 285 V CB -0.903 30.707 31.823 -0.355 0.000 0.666 285 V HN 0.620 nan 8.190 nan 0.000 0.456 286 E N 0.902 120.941 120.200 -0.269 0.000 2.153 286 E HA -0.185 4.166 4.350 0.002 0.000 0.194 286 E C 2.323 178.840 176.600 -0.138 0.000 0.988 286 E CA 1.480 57.755 56.400 -0.209 0.000 0.811 286 E CB -0.224 29.340 29.700 -0.227 0.000 0.746 286 E HN 0.766 nan 8.360 nan 0.000 0.466 287 S N 0.445 116.070 115.700 -0.125 0.000 2.442 287 S HA -0.094 4.377 4.470 0.002 0.000 0.236 287 S C 1.851 176.411 174.600 -0.065 0.000 1.007 287 S CA 0.756 58.905 58.200 -0.084 0.000 0.965 287 S CB -0.141 63.010 63.200 -0.082 0.000 0.773 287 S HN 0.196 nan 8.310 nan 0.000 0.504 288 L N 0.928 122.109 121.223 -0.071 0.000 2.537 288 L HA 0.155 4.496 4.340 0.002 0.000 0.224 288 L C 2.594 179.442 176.870 -0.036 0.000 1.065 288 L CA 1.037 55.857 54.840 -0.033 0.000 0.860 288 L CB -0.313 41.729 42.059 -0.028 0.000 1.086 288 L HN 0.510 nan 8.230 nan 0.000 0.482 289 T N -2.724 111.787 114.554 -0.072 0.000 3.037 289 T HA 0.269 4.620 4.350 0.002 0.000 0.251 289 T C 0.681 175.327 174.700 -0.090 0.000 1.079 289 T CA -0.037 62.015 62.100 -0.081 0.000 1.067 289 T CB 0.098 68.903 68.868 -0.106 0.000 0.948 289 T HN -0.044 nan 8.240 nan 0.000 0.496 290 L N 2.198 123.367 121.223 -0.090 0.000 2.334 290 L HA 0.468 4.809 4.340 0.002 0.000 0.275 290 L C 0.099 176.924 176.870 -0.074 0.000 1.036 290 L CA -1.092 53.696 54.840 -0.088 0.000 0.807 290 L CB 1.426 43.430 42.059 -0.092 0.000 1.231 290 L HN 0.260 nan 8.230 nan 0.000 0.438 291 D N 2.420 122.775 120.400 -0.074 0.000 2.372 291 D HA 0.003 4.644 4.640 0.002 0.000 0.243 291 D C 1.010 177.240 176.300 -0.117 0.000 1.121 291 D CA -0.228 53.725 54.000 -0.078 0.000 0.898 291 D CB 1.358 42.120 40.800 -0.064 0.000 1.202 291 D HN 0.527 nan 8.370 nan 0.000 0.428 292 R N 2.399 122.805 120.500 -0.157 0.000 2.115 292 R HA -0.203 4.138 4.340 0.002 0.000 0.239 292 R C 1.539 177.542 176.300 -0.496 0.000 1.133 292 R CA 1.692 57.599 56.100 -0.323 0.000 0.935 292 R CB -0.012 30.122 30.300 -0.276 0.000 0.853 292 R HN 0.543 nan 8.270 nan 0.000 0.433 293 E N 0.072 120.104 120.200 -0.279 0.000 2.110 293 E HA -0.130 4.221 4.350 0.002 0.000 0.193 293 E C 2.173 178.740 176.600 -0.055 0.000 0.988 293 E CA 1.147 57.447 56.400 -0.166 0.000 0.804 293 E CB -0.289 29.373 29.700 -0.063 0.000 0.745 293 E HN 0.260 nan 8.360 nan 0.000 0.458 294 V N 1.767 121.658 119.914 -0.039 0.000 2.295 294 V HA -0.250 3.871 4.120 0.002 0.000 0.246 294 V C 2.505 178.636 176.094 0.062 0.000 1.049 294 V CA 1.608 63.926 62.300 0.031 0.000 1.024 294 V CB -0.579 31.239 31.823 -0.008 0.000 0.648 294 V HN 0.163 nan 8.190 nan 0.000 0.447 295 L N 0.037 121.261 121.223 0.002 0.000 1.989 295 L HA -0.223 4.118 4.340 0.002 0.000 0.211 295 L C 2.404 179.383 176.870 0.183 0.000 1.071 295 L CA 2.180 57.057 54.840 0.061 0.000 0.749 295 L CB -0.974 41.102 42.059 0.028 0.000 0.890 295 L HN 0.463 nan 8.230 nan 0.000 0.431 296 H N -1.892 117.202 119.070 0.041 0.000 2.387 296 H HA -0.193 4.364 4.556 0.002 0.000 0.299 296 H C 2.117 177.474 175.328 0.049 0.000 1.090 296 H CA 1.029 57.099 56.048 0.038 0.000 1.332 296 H CB 0.208 29.987 29.762 0.028 0.000 1.386 296 H HN 0.427 nan 8.280 nan 0.000 0.516 297 Q N 1.110 121.024 119.800 0.191 0.000 2.049 297 Q HA -0.112 4.229 4.340 0.002 0.000 0.198 297 Q C 2.380 178.467 176.000 0.145 0.000 0.971 297 Q CA 1.011 56.886 55.803 0.121 0.000 0.833 297 Q CB -0.049 28.756 28.738 0.112 0.000 0.896 297 Q HN 0.102 nan 8.270 nan 0.000 0.434 298 R N 0.499 121.158 120.500 0.265 0.000 2.091 298 R HA -0.142 4.199 4.340 0.002 0.000 0.238 298 R C 1.109 177.587 176.300 0.296 0.000 1.136 298 R CA 1.940 58.276 56.100 0.394 0.000 0.959 298 R CB -0.679 29.834 30.300 0.355 0.000 0.856 298 R HN 0.364 nan 8.270 nan 0.000 0.437 299 D N 0.030 120.539 120.400 0.181 0.000 2.218 299 D HA -0.116 4.525 4.640 0.002 0.000 0.204 299 D C 1.764 178.120 176.300 0.093 0.000 0.976 299 D CA 1.001 55.071 54.000 0.116 0.000 0.853 299 D CB -0.064 40.782 40.800 0.075 0.000 0.939 299 D HN 0.304 nan 8.370 nan 0.000 0.481 300 M N -0.552 119.099 119.600 0.086 0.000 2.558 300 M HA 0.071 4.552 4.480 0.002 0.000 0.255 300 M C 1.461 177.798 176.300 0.061 0.000 1.113 300 M CA 0.438 55.767 55.300 0.049 0.000 1.097 300 M CB 0.408 33.021 32.600 0.022 0.000 1.426 300 M HN -0.011 nan 8.290 nan 0.000 0.488 301 L N -1.772 119.522 121.223 0.118 0.000 2.515 301 L HA 0.081 4.422 4.340 0.002 0.000 0.223 301 L C 2.353 179.433 176.870 0.351 0.000 1.079 301 L CA 0.033 54.972 54.840 0.165 0.000 0.857 301 L CB -0.170 41.904 42.059 0.025 0.000 1.050 301 L HN 0.114 nan 8.230 nan 0.000 0.476 302 S N 1.012 116.894 115.700 0.304 0.000 2.359 302 S HA -0.140 4.331 4.470 0.002 0.000 0.223 302 S C -0.528 174.154 174.600 0.136 0.000 1.039 302 S CA 1.827 60.112 58.200 0.141 0.000 1.042 302 S CB -1.064 62.147 63.200 0.018 0.000 0.915 302 S HN 0.268 nan 8.310 nan 0.000 0.439 303 P HA -0.114 nan 4.420 nan 0.000 0.218 303 P C 1.323 178.674 177.300 0.086 0.000 1.148 303 P CA 1.195 64.328 63.100 0.055 0.000 0.822 303 P CB 0.069 31.775 31.700 0.009 0.000 0.784 304 K N -0.912 119.562 120.400 0.123 0.000 2.031 304 K HA -0.161 4.160 4.320 0.002 0.000 0.205 304 K C 2.153 178.844 176.600 0.152 0.000 1.049 304 K CA 1.351 57.704 56.287 0.110 0.000 0.939 304 K CB -1.516 31.045 32.500 0.102 0.000 0.717 304 K HN 0.052 nan 8.250 nan 0.000 0.438 305 Y N 0.449 120.823 120.300 0.123 0.000 2.207 305 Y HA -0.226 4.325 4.550 0.002 0.000 0.287 305 Y C 1.861 177.799 175.900 0.064 0.000 1.156 305 Y CA 1.958 60.141 58.100 0.137 0.000 1.182 305 Y CB -0.436 38.148 38.460 0.206 0.000 0.979 305 Y HN 0.154 nan 8.280 nan 0.000 0.521 306 A N 0.908 123.879 122.820 0.252 0.000 1.883 306 A HA -0.276 4.045 4.320 0.002 0.000 0.217 306 A C 2.121 179.736 177.584 0.053 0.000 1.186 306 A CA 2.048 54.182 52.037 0.162 0.000 0.624 306 A CB -0.987 18.111 19.000 0.163 0.000 0.822 306 A HN 0.747 nan 8.150 nan 0.000 0.444 307 E N 0.038 120.243 120.200 0.009 0.000 2.150 307 E HA -0.128 4.223 4.350 0.002 0.000 0.193 307 E C 1.880 178.179 176.600 -0.503 0.000 0.985 307 E CA 1.078 57.294 56.400 -0.307 0.000 0.814 307 E CB -0.499 28.991 29.700 -0.351 0.000 0.752 307 E HN 0.588 nan 8.360 nan 0.000 0.466 308 L N 1.050 122.154 121.223 -0.200 0.000 2.017 308 L HA -0.165 4.176 4.340 0.002 0.000 0.208 308 L C 2.612 179.469 176.870 -0.021 0.000 1.073 308 L CA 0.965 55.776 54.840 -0.049 0.000 0.745 308 L CB -0.395 41.606 42.059 -0.097 0.000 0.894 308 L HN 0.106 nan 8.230 nan 0.000 0.432 309 V N -1.032 118.819 119.914 -0.105 0.000 2.295 309 V HA -0.337 3.784 4.120 0.002 0.000 0.246 309 V C 2.216 178.265 176.094 -0.075 0.000 1.049 309 V CA 1.878 64.158 62.300 -0.033 0.000 1.024 309 V CB -0.710 31.095 31.823 -0.030 0.000 0.648 309 V HN 0.384 nan 8.190 nan 0.000 0.447 310 Y N -0.211 119.902 120.300 -0.312 0.000 2.181 310 Y HA -0.249 4.302 4.550 0.002 0.000 0.288 310 Y C 2.398 178.171 175.900 -0.211 0.000 1.146 310 Y CA 1.662 59.521 58.100 -0.402 0.000 1.164 310 Y CB -0.269 37.621 38.460 -0.950 0.000 0.982 310 Y HN 0.282 nan 8.280 nan 0.000 0.515 311 Y N -0.421 119.725 120.300 -0.258 0.000 2.373 311 Y HA 0.157 4.708 4.550 0.002 0.000 0.293 311 Y C 2.264 177.875 175.900 -0.482 0.000 1.129 311 Y CA 0.605 58.381 58.100 -0.540 0.000 1.226 311 Y CB -0.657 37.318 38.460 -0.809 0.000 1.000 311 Y HN 0.257 nan 8.280 nan 0.000 0.549 312 G N -1.685 107.004 108.800 -0.185 0.000 2.175 312 G HA2 -0.230 3.731 3.960 0.002 0.000 0.182 312 G HA3 -0.230 3.731 3.960 0.002 0.000 0.182 312 G C -0.015 174.741 174.900 -0.239 0.000 1.003 312 G CA -0.490 44.468 45.100 -0.238 0.000 0.666 312 G HN 0.206 nan 8.290 nan 0.000 0.506 313 F N 1.245 121.220 119.950 0.040 0.000 2.669 313 F HA 0.370 4.898 4.527 0.002 0.000 0.353 313 F C 1.566 177.386 175.800 0.032 0.000 1.192 313 F CA -0.616 57.416 58.000 0.053 0.000 1.317 313 F CB -0.017 38.992 39.000 0.016 0.000 1.652 313 F HN 0.377 nan 8.300 nan 0.000 0.608 314 W N 0.229 121.515 121.300 -0.024 0.000 2.501 314 W HA -0.078 4.583 4.660 0.002 0.000 0.309 314 W C 0.103 176.507 176.519 -0.191 0.000 1.165 314 W CA 0.946 58.187 57.345 -0.174 0.000 1.381 314 W CB -0.260 29.041 29.460 -0.265 0.000 1.142 314 W HN 0.134 nan 8.180 nan 0.000 0.509 315 Y N 1.425 121.801 120.300 0.126 0.000 2.767 315 Y HA 0.441 4.992 4.550 0.002 0.000 0.354 315 Y C 0.381 176.318 175.900 0.062 0.000 1.292 315 Y CA -0.315 57.801 58.100 0.027 0.000 1.749 315 Y CB -0.594 37.952 38.460 0.143 0.000 1.841 315 Y HN -0.123 nan 8.280 nan 0.000 0.454 316 A N 1.818 124.699 122.820 0.102 0.000 2.414 316 A HA 0.498 4.819 4.320 0.002 0.000 0.306 316 A C -1.930 175.671 177.584 0.028 0.000 1.054 316 A CA -1.791 50.329 52.037 0.138 0.000 0.724 316 A CB 1.576 20.732 19.000 0.260 0.000 1.267 316 A HN 0.198 nan 8.150 nan 0.000 0.418 317 P HA -0.210 nan 4.420 nan 0.000 0.218 317 P C 0.580 177.862 177.300 -0.030 0.000 1.148 317 P CA 1.650 64.749 63.100 -0.002 0.000 0.822 317 P CB 0.304 32.010 31.700 0.010 0.000 0.784 318 E N 0.086 120.260 120.200 -0.042 0.000 2.051 318 E HA -0.155 4.196 4.350 0.002 0.000 0.192 318 E C 2.414 178.984 176.600 -0.049 0.000 0.991 318 E CA 0.919 57.285 56.400 -0.057 0.000 0.799 318 E CB -0.826 28.818 29.700 -0.093 0.000 0.748 318 E HN 0.156 nan 8.360 nan 0.000 0.449 319 R N 1.183 121.632 120.500 -0.086 0.000 2.075 319 R HA -0.131 4.210 4.340 0.002 0.000 0.232 319 R C 1.770 178.005 176.300 -0.110 0.000 1.126 319 R CA 1.522 57.534 56.100 -0.146 0.000 0.963 319 R CB -0.075 30.034 30.300 -0.319 0.000 0.858 319 R HN 0.292 nan 8.270 nan 0.000 0.435 320 E N -0.065 120.047 120.200 -0.146 0.000 2.204 320 E HA -0.132 4.219 4.350 0.002 0.000 0.194 320 E C 1.889 178.471 176.600 -0.029 0.000 0.989 320 E CA 0.990 57.322 56.400 -0.113 0.000 0.824 320 E CB -0.033 29.604 29.700 -0.105 0.000 0.756 320 E HN 0.413 nan 8.360 nan 0.000 0.477 321 A N 1.371 124.178 122.820 -0.021 0.000 1.872 321 A HA -0.105 4.216 4.320 0.002 0.000 0.214 321 A C 2.190 179.773 177.584 -0.001 0.000 1.187 321 A CA 0.816 52.844 52.037 -0.015 0.000 0.614 321 A CB -0.580 18.401 19.000 -0.031 0.000 0.826 321 A HN 0.122 nan 8.150 nan 0.000 0.442 322 L N -0.903 120.336 121.223 0.027 0.000 2.131 322 L HA -0.229 4.112 4.340 0.002 0.000 0.210 322 L C 2.845 179.782 176.870 0.111 0.000 1.092 322 L CA 1.636 56.484 54.840 0.013 0.000 0.759 322 L CB -0.396 41.792 42.059 0.215 0.000 0.903 322 L HN 0.477 nan 8.230 nan 0.000 0.435 323 Q N 0.199 120.151 119.800 0.253 0.000 2.135 323 Q HA -0.187 4.154 4.340 0.002 0.000 0.204 323 Q C 2.187 178.275 176.000 0.148 0.000 0.981 323 Q CA 1.969 57.939 55.803 0.279 0.000 0.856 323 Q CB -0.204 28.624 28.738 0.150 0.000 0.902 323 Q HN 0.456 nan 8.270 nan 0.000 0.425 324 A N -0.795 122.070 122.820 0.075 0.000 1.933 324 A HA -0.196 4.125 4.320 0.002 0.000 0.218 324 A C 1.960 179.571 177.584 0.045 0.000 1.175 324 A CA 1.501 53.568 52.037 0.049 0.000 0.628 324 A CB -0.970 18.044 19.000 0.024 0.000 0.814 324 A HN 0.627 nan 8.150 nan 0.000 0.444 325 Y N -0.609 119.611 120.300 -0.132 0.000 2.133 325 Y HA -0.170 4.381 4.550 0.002 0.000 0.287 325 Y C 1.989 177.815 175.900 -0.123 0.000 1.134 325 Y CA 1.842 59.813 58.100 -0.215 0.000 1.133 325 Y CB -0.558 37.638 38.460 -0.440 0.000 0.987 325 Y HN 0.290 nan 8.280 nan 0.000 0.502 326 F N 0.540 120.500 119.950 0.017 0.000 2.126 326 F HA -0.257 4.271 4.527 0.002 0.000 0.299 326 F C 2.142 177.857 175.800 -0.143 0.000 1.096 326 F CA 1.228 59.162 58.000 -0.110 0.000 1.255 326 F CB -0.313 38.616 39.000 -0.120 0.000 0.997 326 F HN 0.096 nan 8.300 nan 0.000 0.479 327 D N -1.126 119.335 120.400 0.101 0.000 2.144 327 D HA -0.202 4.439 4.640 0.002 0.000 0.199 327 D C 1.851 178.132 176.300 -0.032 0.000 0.984 327 D CA 1.413 55.432 54.000 0.032 0.000 0.834 327 D CB -0.595 40.234 40.800 0.049 0.000 0.955 327 D HN 0.369 nan 8.370 nan 0.000 0.465 328 H N 0.253 119.239 119.070 -0.139 0.000 2.321 328 H HA -0.067 4.490 4.556 0.002 0.000 0.300 328 H C 1.900 177.098 175.328 -0.216 0.000 1.087 328 H CA 1.658 57.600 56.048 -0.177 0.000 1.319 328 H CB -0.111 29.521 29.762 -0.217 0.000 1.379 328 H HN -0.084 nan 8.280 nan 0.000 0.501 329 V N 0.699 120.488 119.914 -0.209 0.000 2.358 329 V HA -0.206 3.915 4.120 0.002 0.000 0.246 329 V C 2.712 178.687 176.094 -0.200 0.000 1.047 329 V CA 1.557 63.719 62.300 -0.230 0.000 1.035 329 V CB -1.152 30.518 31.823 -0.254 0.000 0.658 329 V HN 0.701 nan 8.190 nan 0.000 0.452 330 A N -0.138 122.591 122.820 -0.152 0.000 2.070 330 A HA -0.232 4.089 4.320 0.002 0.000 0.220 330 A C 2.364 179.844 177.584 -0.173 0.000 1.159 330 A CA 1.681 53.632 52.037 -0.143 0.000 0.656 330 A CB -0.651 18.291 19.000 -0.096 0.000 0.800 330 A HN 0.478 nan 8.150 nan 0.000 0.453 331 R N -0.102 120.275 120.500 -0.205 0.000 2.200 331 R HA -0.092 4.249 4.340 0.002 0.000 0.234 331 R C 1.443 177.587 176.300 -0.260 0.000 1.127 331 R CA 1.561 57.519 56.100 -0.236 0.000 0.989 331 R CB -0.147 29.997 30.300 -0.260 0.000 0.869 331 R HN 0.483 nan 8.270 nan 0.000 0.459 332 S N -0.334 115.224 115.700 -0.237 0.000 2.528 332 S HA 0.073 4.544 4.470 0.002 0.000 0.219 332 S C 0.314 174.803 174.600 -0.185 0.000 0.985 332 S CA -0.033 58.043 58.200 -0.207 0.000 0.914 332 S CB 0.749 63.840 63.200 -0.182 0.000 0.776 332 S HN 0.024 nan 8.310 nan 0.000 0.526 333 V N 3.716 123.517 119.914 -0.189 0.000 2.324 333 V HA 0.169 4.290 4.120 0.002 0.000 0.244 333 V C -0.001 176.021 176.094 -0.120 0.000 1.144 333 V CA 0.340 62.532 62.300 -0.181 0.000 1.158 333 V CB -0.792 30.894 31.823 -0.229 0.000 1.254 333 V HN 0.188 nan 8.190 nan 0.000 0.492 334 T N 3.339 117.836 114.554 -0.095 0.000 2.881 334 T HA 0.780 5.131 4.350 0.002 0.000 0.291 334 T C 0.383 175.100 174.700 0.029 0.000 0.990 334 T CA 0.117 62.206 62.100 -0.019 0.000 0.976 334 T CB 1.718 70.533 68.868 -0.088 0.000 0.970 334 T HN 0.951 nan 8.240 nan 0.000 0.438 335 G N 1.400 110.263 108.800 0.105 0.000 2.367 335 G HA2 0.446 4.407 3.960 0.002 0.000 0.272 335 G HA3 0.446 4.407 3.960 0.002 0.000 0.272 335 G C -2.150 172.834 174.900 0.141 0.000 1.271 335 G CA -0.506 44.646 45.100 0.087 0.000 0.893 335 G HN 0.717 nan 8.290 nan 0.000 0.485 336 V N 0.296 120.272 119.914 0.102 0.000 2.709 336 V HA 0.803 4.924 4.120 0.002 0.000 0.308 336 V C 0.262 176.413 176.094 0.096 0.000 1.062 336 V CA -0.090 62.283 62.300 0.121 0.000 0.901 336 V CB 1.390 33.261 31.823 0.080 0.000 1.003 336 V HN 1.805 nan 8.190 nan 0.000 0.425 337 A N 4.392 127.293 122.820 0.135 0.000 2.337 337 A HA 0.878 5.199 4.320 0.002 0.000 0.329 337 A C -0.355 177.289 177.584 0.101 0.000 1.146 337 A CA -0.728 51.368 52.037 0.098 0.000 0.800 337 A CB 1.141 20.212 19.000 0.119 0.000 1.220 337 A HN 0.815 nan 8.150 nan 0.000 0.472 338 R N 2.321 122.873 120.500 0.085 0.000 2.360 338 R HA 0.610 4.951 4.340 0.002 0.000 0.318 338 R C -1.848 174.526 176.300 0.124 0.000 0.950 338 R CA -0.448 55.718 56.100 0.109 0.000 0.837 338 R CB 0.559 30.917 30.300 0.098 0.000 1.165 338 R HN 0.624 nan 8.270 nan 0.000 0.458 339 L N 3.025 124.324 121.223 0.127 0.000 2.333 339 L HA 0.540 4.881 4.340 0.002 0.000 0.269 339 L C -0.407 176.487 176.870 0.041 0.000 1.010 339 L CA -0.625 54.270 54.840 0.092 0.000 0.818 339 L CB 1.751 43.854 42.059 0.073 0.000 1.306 339 L HN 0.449 nan 8.230 nan 0.000 0.430 340 K N 2.366 122.752 120.400 -0.023 0.000 2.307 340 K HA 0.646 4.967 4.320 0.002 0.000 0.263 340 K C -1.528 175.028 176.600 -0.074 0.000 0.973 340 K CA -0.443 55.696 56.287 -0.247 0.000 0.846 340 K CB 0.842 33.138 32.500 -0.340 0.000 1.100 340 K HN 0.557 nan 8.250 nan 0.000 0.438 341 L N 5.116 126.214 121.223 -0.207 0.000 2.272 341 L HA 0.435 4.776 4.340 0.002 0.000 0.289 341 L C -1.004 175.805 176.870 -0.101 0.000 1.032 341 L CA -1.075 53.647 54.840 -0.196 0.000 0.810 341 L CB 0.734 42.522 42.059 -0.451 0.000 1.205 341 L HN 0.618 nan 8.230 nan 0.000 0.422 342 Y N 3.573 123.860 120.300 -0.022 0.000 2.307 342 Y HA 0.221 4.772 4.550 0.002 0.000 0.323 342 Y C -0.502 175.466 175.900 0.114 0.000 1.100 342 Y CA -1.479 56.664 58.100 0.072 0.000 1.140 342 Y CB 1.104 39.601 38.460 0.063 0.000 1.159 342 Y HN 0.544 nan 8.280 nan 0.000 0.436 343 K N 5.099 125.294 120.400 -0.342 0.000 4.814 343 K HA -0.225 4.096 4.320 0.002 0.000 0.295 343 K C 1.029 177.524 176.600 -0.174 0.000 0.828 343 K CA 1.288 57.365 56.287 -0.348 0.000 0.895 343 K CB -1.373 30.738 32.500 -0.648 0.000 1.810 343 K HN 1.398 nan 8.250 nan 0.000 0.418 344 G N -0.039 108.705 108.800 -0.092 0.000 2.245 344 G HA2 -0.352 3.609 3.960 0.002 0.000 0.264 344 G HA3 -0.352 3.609 3.960 0.002 0.000 0.264 344 G C 0.086 174.934 174.900 -0.088 0.000 0.985 344 G CA 0.501 45.545 45.100 -0.094 0.000 0.625 344 G HN 0.539 nan 8.290 nan 0.000 0.536 345 N N -0.512 118.139 118.700 -0.081 0.000 2.443 345 N HA 0.670 5.411 4.740 0.002 0.000 0.293 345 N C -0.619 174.731 175.510 -0.266 0.000 1.159 345 N CA -0.294 52.627 53.050 -0.215 0.000 0.904 345 N CB 2.012 40.325 38.487 -0.290 0.000 1.214 345 N HN 0.159 nan 8.380 nan 0.000 0.513 346 V N 3.038 122.682 119.914 -0.449 0.000 2.483 346 V HA 0.412 4.533 4.120 0.002 0.000 0.297 346 V C -1.318 174.460 176.094 -0.527 0.000 1.027 346 V CA -0.600 61.508 62.300 -0.320 0.000 0.855 346 V CB 0.695 32.430 31.823 -0.147 0.000 0.995 346 V HN 0.503 nan 8.190 nan 0.000 0.424 347 Y N 2.914 123.145 120.300 -0.115 0.000 2.341 347 Y HA 0.532 5.083 4.550 0.002 0.000 0.338 347 Y C 0.167 176.021 175.900 -0.076 0.000 0.965 347 Y CA -1.003 57.030 58.100 -0.110 0.000 1.108 347 Y CB 1.899 40.306 38.460 -0.088 0.000 1.180 347 Y HN 0.359 nan 8.280 nan 0.000 0.458 348 V N 4.888 124.839 119.914 0.062 0.000 2.470 348 V HA 0.035 4.156 4.120 0.002 0.000 0.276 348 V C 0.743 176.883 176.094 0.076 0.000 1.040 348 V CA 0.187 62.521 62.300 0.057 0.000 1.008 348 V CB 0.695 32.534 31.823 0.026 0.000 0.990 348 V HN 0.837 nan 8.190 nan 0.000 0.477 349 V N 2.060 122.025 119.914 0.085 0.000 3.556 349 V HA 0.762 4.883 4.120 0.002 0.000 0.287 349 V C 0.624 176.749 176.094 0.051 0.000 1.422 349 V CA 0.631 62.980 62.300 0.081 0.000 1.038 349 V CB 0.161 32.072 31.823 0.146 0.000 0.850 349 V HN 0.938 nan 8.190 nan 0.000 0.437 350 G N 0.899 109.725 108.800 0.042 0.000 2.489 350 G HA2 0.660 4.621 3.960 0.002 0.000 0.291 350 G HA3 0.660 4.621 3.960 0.002 0.000 0.291 350 G C -1.707 173.197 174.900 0.008 0.000 1.487 350 G CA -0.565 44.543 45.100 0.012 0.000 0.795 350 G HN 0.590 nan 8.290 nan 0.000 0.513 351 R N -0.089 120.402 120.500 -0.015 0.000 2.634 351 R HA 0.704 5.046 4.340 0.002 0.000 0.263 351 R C -1.384 174.906 176.300 -0.016 0.000 1.060 351 R CA -0.970 55.122 56.100 -0.014 0.000 0.898 351 R CB 1.252 31.529 30.300 -0.038 0.000 1.253 351 R HN 1.028 nan 8.270 nan 0.000 0.461 352 K N 0.605 121.006 120.400 0.001 0.000 2.536 352 K HA 0.896 5.217 4.320 0.002 0.000 0.269 352 K C -1.621 174.988 176.600 0.015 0.000 0.965 352 K CA -0.920 55.373 56.287 0.010 0.000 0.860 352 K CB 2.667 35.178 32.500 0.019 0.000 1.423 352 K HN 0.808 nan 8.250 nan 0.000 0.438 353 A N 1.478 124.309 122.820 0.018 0.000 2.566 353 A HA 0.504 4.825 4.320 0.002 0.000 0.297 353 A C -2.535 175.060 177.584 0.019 0.000 1.059 353 A CA -1.240 50.807 52.037 0.016 0.000 0.691 353 A CB 1.521 20.518 19.000 -0.005 0.000 1.282 353 A HN 0.585 nan 8.150 nan 0.000 0.401 354 P HA -0.107 nan 4.420 nan 0.000 0.216 354 P C 0.319 177.624 177.300 0.009 0.000 1.153 354 P CA 1.444 64.557 63.100 0.022 0.000 0.858 354 P CB 0.238 31.958 31.700 0.033 0.000 0.789 355 K N -0.431 119.967 120.400 -0.003 0.000 3.135 355 K HA 0.233 4.554 4.320 0.002 0.000 0.210 355 K C 0.053 176.645 176.600 -0.013 0.000 1.176 355 K CA -0.178 56.101 56.287 -0.013 0.000 1.064 355 K CB 0.529 33.012 32.500 -0.029 0.000 1.009 355 K HN -0.021 nan 8.250 nan 0.000 0.472 356 S N 0.897 116.600 115.700 0.005 0.000 2.552 356 S HA 0.079 4.550 4.470 0.002 0.000 0.289 356 S C 1.073 175.688 174.600 0.025 0.000 1.304 356 S CA -0.338 57.876 58.200 0.023 0.000 1.063 356 S CB 0.384 63.620 63.200 0.060 0.000 0.848 356 S HN 0.426 nan 8.310 nan 0.000 0.499 357 L N 4.026 125.267 121.223 0.029 0.000 2.592 357 L HA 0.223 4.564 4.340 0.002 0.000 0.227 357 L C 0.304 177.202 176.870 0.047 0.000 1.127 357 L CA -0.193 54.656 54.840 0.015 0.000 0.884 357 L CB -0.357 41.700 42.059 -0.003 0.000 1.065 357 L HN 0.706 nan 8.230 nan 0.000 0.457 358 Y N 2.397 122.674 120.300 -0.038 0.000 2.309 358 Y HA 0.327 4.878 4.550 0.002 0.000 0.327 358 Y C 0.083 175.961 175.900 -0.036 0.000 1.172 358 Y CA -0.637 57.441 58.100 -0.035 0.000 1.280 358 Y CB 0.480 38.922 38.460 -0.030 0.000 1.234 358 Y HN -0.014 nan 8.280 nan 0.000 0.512 359 R N 6.192 126.171 120.500 -0.868 0.000 2.518 359 R HA 0.078 4.419 4.340 0.002 0.000 0.296 359 R C 0.384 176.178 176.300 -0.843 0.000 1.080 359 R CA -0.596 55.108 56.100 -0.660 0.000 0.922 359 R CB 1.695 31.798 30.300 -0.329 0.000 1.184 359 R HN 0.911 nan 8.270 nan 0.000 0.445 360 Q N 1.583 120.953 119.800 -0.717 0.000 2.181 360 Q HA -0.203 4.138 4.340 0.002 0.000 0.205 360 Q C 0.552 176.399 176.000 -0.254 0.000 0.980 360 Q CA 2.535 58.099 55.803 -0.397 0.000 0.862 360 Q CB 0.264 28.926 28.738 -0.126 0.000 0.905 360 Q HN 0.612 nan 8.270 nan 0.000 0.429 361 D N -0.181 120.078 120.400 -0.235 0.000 2.263 361 D HA -0.189 4.452 4.640 0.002 0.000 0.208 361 D C 1.561 177.722 176.300 -0.231 0.000 0.971 361 D CA 0.839 54.723 54.000 -0.193 0.000 0.867 361 D CB -0.332 40.373 40.800 -0.159 0.000 0.929 361 D HN 0.350 nan 8.370 nan 0.000 0.492 362 L N 0.139 121.208 121.223 -0.258 0.000 2.418 362 L HA 0.040 4.381 4.340 0.002 0.000 0.218 362 L C 1.880 178.589 176.870 -0.268 0.000 1.125 362 L CA 0.394 55.080 54.840 -0.257 0.000 0.835 362 L CB 0.133 42.067 42.059 -0.209 0.000 0.953 362 L HN 0.189 nan 8.230 nan 0.000 0.454 363 V N -7.222 112.550 119.914 -0.236 0.000 3.572 363 V HA 0.247 4.368 4.120 0.002 0.000 0.260 363 V C 1.089 177.041 176.094 -0.237 0.000 1.324 363 V CA -0.350 61.830 62.300 -0.199 0.000 1.068 363 V CB 0.278 32.083 31.823 -0.030 0.000 0.837 363 V HN 0.115 nan 8.190 nan 0.000 0.450 364 S N 1.486 117.074 115.700 -0.187 0.000 2.549 364 S HA 0.534 5.005 4.470 0.002 0.000 0.283 364 S C -0.470 174.008 174.600 -0.203 0.000 1.320 364 S CA 0.021 58.157 58.200 -0.106 0.000 1.058 364 S CB 0.275 63.434 63.200 -0.069 0.000 0.882 364 S HN 0.402 nan 8.310 nan 0.000 0.498 371 Y N -0.995 119.257 120.300 -0.080 0.000 2.879 371 Y HA 0.495 5.046 4.550 0.002 0.000 0.385 371 Y C -1.763 174.100 175.900 -0.061 0.000 1.153 371 Y CA -1.521 56.538 58.100 -0.068 0.000 1.245 371 Y CB -0.084 38.328 38.460 -0.080 0.000 1.472 371 Y HN 0.145 nan 8.280 nan 0.000 0.490 372 D N 0.524 121.053 120.400 0.215 0.000 2.384 372 D HA 0.309 4.950 4.640 0.002 0.000 0.250 372 D C 0.571 177.021 176.300 0.250 0.000 1.029 372 D CA -0.774 53.289 54.000 0.105 0.000 0.990 372 D CB 1.004 41.839 40.800 0.059 0.000 1.175 372 D HN 0.517 nan 8.370 nan 0.000 0.532 373 Q N 0.120 119.999 119.800 0.132 0.000 2.152 373 Q HA -0.218 4.124 4.340 0.002 0.000 0.206 373 Q C 1.617 177.707 176.000 0.149 0.000 0.985 373 Q CA 1.391 57.290 55.803 0.161 0.000 0.863 373 Q CB -0.371 28.424 28.738 0.096 0.000 0.904 373 Q HN 0.454 nan 8.270 nan 0.000 0.422 374 K N 1.354 121.820 120.400 0.110 0.000 2.209 374 K HA -0.128 4.193 4.320 0.002 0.000 0.204 374 K C 1.251 177.895 176.600 0.073 0.000 1.048 374 K CA 1.200 57.534 56.287 0.080 0.000 0.940 374 K CB -0.125 32.410 32.500 0.058 0.000 0.729 374 K HN 0.052 nan 8.250 nan 0.000 0.451 375 D N 0.114 120.564 120.400 0.084 0.000 2.117 375 D HA -0.125 4.516 4.640 0.002 0.000 0.197 375 D C 1.694 177.966 176.300 -0.047 0.000 0.987 375 D CA 1.610 55.607 54.000 -0.005 0.000 0.829 375 D CB -0.335 40.420 40.800 -0.075 0.000 0.961 375 D HN 0.324 nan 8.370 nan 0.000 0.460 376 A N 0.783 123.584 122.820 -0.031 0.000 1.933 376 A HA -0.222 4.099 4.320 0.002 0.000 0.218 376 A C 2.103 179.761 177.584 0.123 0.000 1.175 376 A CA 1.805 53.853 52.037 0.017 0.000 0.628 376 A CB -0.556 18.506 19.000 0.103 0.000 0.814 376 A HN 0.299 nan 8.150 nan 0.000 0.444 377 E N -0.493 119.763 120.200 0.093 0.000 2.051 377 E HA -0.123 4.228 4.350 0.002 0.000 0.192 377 E C 2.080 178.720 176.600 0.066 0.000 0.991 377 E CA 1.103 57.549 56.400 0.077 0.000 0.799 377 E CB -0.442 29.294 29.700 0.059 0.000 0.748 377 E HN 0.496 nan 8.360 nan 0.000 0.449 378 G N 0.356 109.195 108.800 0.065 0.000 2.422 378 G HA2 -0.286 3.675 3.960 0.002 0.000 0.218 378 G HA3 -0.286 3.675 3.960 0.002 0.000 0.218 378 G C 1.348 176.288 174.900 0.068 0.000 1.146 378 G CA 0.640 45.770 45.100 0.050 0.000 0.769 378 G HN 0.375 nan 8.290 nan 0.000 0.547 379 F N 1.460 121.373 119.950 -0.062 0.000 2.095 379 F HA -0.028 4.500 4.527 0.002 0.000 0.298 379 F C 2.443 178.217 175.800 -0.044 0.000 1.104 379 F CA 1.243 59.201 58.000 -0.070 0.000 1.232 379 F CB -0.210 38.721 39.000 -0.115 0.000 0.987 379 F HN 0.105 nan 8.300 nan 0.000 0.475 380 I N 0.209 120.772 120.570 -0.011 0.000 2.179 380 I HA -0.307 3.864 4.170 0.002 0.000 0.242 380 I C 2.393 178.435 176.117 -0.125 0.000 1.088 380 I CA 1.081 62.319 61.300 -0.103 0.000 1.357 380 I CB -0.509 37.507 38.000 0.028 0.000 1.051 380 I HN 0.043 nan 8.210 nan 0.000 0.409 381 K N 0.683 121.044 120.400 -0.064 0.000 2.032 381 K HA -0.144 4.177 4.320 0.002 0.000 0.209 381 K C 2.042 178.588 176.600 -0.090 0.000 1.048 381 K CA 1.446 57.698 56.287 -0.057 0.000 0.927 381 K CB -0.511 31.974 32.500 -0.026 0.000 0.712 381 K HN 0.265 nan 8.250 nan 0.000 0.441 382 I N 1.862 122.364 120.570 -0.113 0.000 2.226 382 I HA -0.229 3.942 4.170 0.002 0.000 0.245 382 I C 2.281 178.292 176.117 -0.176 0.000 1.100 382 I CA 1.323 62.548 61.300 -0.124 0.000 1.374 382 I CB -1.070 36.862 38.000 -0.113 0.000 1.057 382 I HN 0.230 nan 8.210 nan 0.000 0.413 383 Q N 0.408 120.033 119.800 -0.292 0.000 2.167 383 Q HA -0.047 4.294 4.340 0.002 0.000 0.202 383 Q C 2.282 178.178 176.000 -0.175 0.000 0.970 383 Q CA 1.582 57.205 55.803 -0.301 0.000 0.855 383 Q CB -0.207 28.235 28.738 -0.493 0.000 0.911 383 Q HN 0.548 nan 8.270 nan 0.000 0.438 384 A N 0.405 123.141 122.820 -0.140 0.000 2.072 384 A HA -0.044 4.277 4.320 0.002 0.000 0.216 384 A C 2.036 179.582 177.584 -0.065 0.000 1.156 384 A CA 0.220 52.205 52.037 -0.086 0.000 0.701 384 A CB -0.323 18.637 19.000 -0.066 0.000 0.816 384 A HN 0.276 nan 8.150 nan 0.000 0.458 385 L N 1.479 122.662 121.223 -0.068 0.000 1.991 385 L HA -0.299 4.042 4.340 0.002 0.000 0.221 385 L C 2.725 179.571 176.870 -0.041 0.000 1.079 385 L CA 2.883 57.694 54.840 -0.049 0.000 0.778 385 L CB -0.628 41.402 42.059 -0.049 0.000 0.893 385 L HN 0.623 nan 8.230 nan 0.000 0.437 386 R N -0.689 119.785 120.500 -0.044 0.000 2.120 386 R HA -0.155 4.186 4.340 0.002 0.000 0.234 386 R C 2.126 178.408 176.300 -0.030 0.000 1.123 386 R CA 1.887 57.966 56.100 -0.035 0.000 0.975 386 R CB -0.948 29.330 30.300 -0.035 0.000 0.866 386 R HN 0.479 nan 8.270 nan 0.000 0.446 387 L N 0.401 121.603 121.223 -0.034 0.000 2.109 387 L HA -0.008 4.333 4.340 0.002 0.000 0.207 387 L C 2.728 179.585 176.870 -0.023 0.000 1.086 387 L CA 1.299 56.122 54.840 -0.028 0.000 0.760 387 L CB -0.373 41.668 42.059 -0.031 0.000 0.910 387 L HN 0.187 nan 8.230 nan 0.000 0.437 388 R N -0.403 120.082 120.500 -0.025 0.000 2.073 388 R HA -0.080 4.261 4.340 0.002 0.000 0.229 388 R C 2.292 178.582 176.300 -0.017 0.000 1.120 388 R CA 0.957 57.045 56.100 -0.020 0.000 0.967 388 R CB -0.484 29.803 30.300 -0.021 0.000 0.862 388 R HN 0.118 nan 8.270 nan 0.000 0.436 389 V N 1.334 121.237 119.914 -0.019 0.000 2.332 389 V HA -0.278 3.843 4.120 0.002 0.000 0.248 389 V C 2.496 178.582 176.094 -0.014 0.000 1.055 389 V CA 1.883 64.174 62.300 -0.016 0.000 1.038 389 V CB -0.593 31.220 31.823 -0.017 0.000 0.651 389 V HN 0.323 nan 8.190 nan 0.000 0.450 390 R N 0.339 120.830 120.500 -0.015 0.000 2.083 390 R HA -0.194 4.147 4.340 0.002 0.000 0.237 390 R C 2.302 178.595 176.300 -0.011 0.000 1.137 390 R CA 1.887 57.980 56.100 -0.013 0.000 0.951 390 R CB -0.489 29.802 30.300 -0.014 0.000 0.851 390 R HN 0.474 nan 8.270 nan 0.000 0.434 391 A N 0.930 123.743 122.820 -0.011 0.000 1.933 391 A HA -0.106 4.215 4.320 0.002 0.000 0.218 391 A C 2.220 179.799 177.584 -0.008 0.000 1.175 391 A CA 1.157 53.188 52.037 -0.009 0.000 0.628 391 A CB -0.477 18.517 19.000 -0.009 0.000 0.814 391 A HN 0.366 nan 8.150 nan 0.000 0.444 392 L N -0.698 120.520 121.223 -0.009 0.000 2.083 392 L HA -0.139 4.202 4.340 0.002 0.000 0.209 392 L C 2.428 179.294 176.870 -0.007 0.000 1.083 392 L CA 0.872 55.708 54.840 -0.007 0.000 0.752 392 L CB -0.370 41.684 42.059 -0.008 0.000 0.899 392 L HN 0.246 nan 8.230 nan 0.000 0.433 393 V N -0.736 119.174 119.914 -0.007 0.000 2.548 393 V HA -0.197 3.924 4.120 0.002 0.000 0.249 393 V C 2.421 178.511 176.094 -0.006 0.000 1.055 393 V CA 1.322 63.618 62.300 -0.007 0.000 1.065 393 V CB -0.216 31.603 31.823 -0.007 0.000 0.681 393 V HN 0.354 nan 8.190 nan 0.000 0.462 394 E N 1.160 121.356 120.200 -0.006 0.000 2.085 394 E HA -0.166 4.185 4.350 0.002 0.000 0.194 394 E C 1.177 177.774 176.600 -0.004 0.000 0.994 394 E CA 0.600 56.997 56.400 -0.005 0.000 0.801 394 E CB -0.325 29.372 29.700 -0.005 0.000 0.743 394 E HN 0.783 nan 8.360 nan 0.000 0.453 395 R N 0.000 120.497 120.500 -0.004 0.000 2.786 395 R HA 0.000 4.341 4.340 0.002 0.000 0.208 395 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 395 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535