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 3ksb_1_B DATA FIRST_RESID 3 DATA SEQUENCE NIQNMSLEDI MGERFGRYSK YIIQDRALPD IRDGLKPVQR RILYSMNKDS DATA SEQUENCE NTFDKSYRKS AKSVGNIMGN FHPHGDSSIY DAMVRMSQNW KNREILVEMH DATA SEQUENCE GNNGSMDGDP PAAMRYTEAR LSEIAGYLLQ DIEKKTVPFA WNFDDTEKEP DATA SEQUENCE TVLPAAFPNL LVNGSTGISA GYATDIPPHN LAEVIDAAVY MIDHPTAKID DATA SEQUENCE KLMEFLPGPD FPTGAIIQGR DEIKKAYETG KGRVVVRSKT EIEKXXXXXX DATA SEQUENCE QIVITEIPYE INKANLVKKI DDVRVNNKVA GIAXVRDESD RDGLRIAIXX DATA SEQUENCE XKDANTELVL NYLFKYTDLQ INYNFNMVAI DNFTPRQVGI VPILSSYIAH DATA SEQUENCE RREVILARSR FDKEKAEKRL HIVEGLIRVI SILDEVIALI RASENKADAK DATA SEQUENCE ENLKVSYDFT EEQAEAIVTL QLYRLTNTDV VVLQEEEAEL REKIAMLAAI DATA SEQUENCE IGDERTMYNL MKKELREVKK KFATPRLSSL E 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.508 175.510 -0.003 0.000 1.280 3 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 3 N CB 0.000 38.485 38.487 -0.004 0.000 1.341 4 I N -0.459 120.109 120.570 -0.003 0.000 2.680 4 I HA 0.803 4.973 4.170 0.000 0.000 0.291 4 I C -0.266 175.850 176.117 -0.002 0.000 1.244 4 I CA -0.364 60.934 61.300 -0.003 0.000 1.042 4 I CB 1.527 39.525 38.000 -0.003 0.000 1.277 4 I HN 1.032 nan 8.210 nan 0.000 0.423 5 Q N 4.633 124.432 119.800 -0.002 0.000 2.241 5 Q HA 0.492 4.832 4.340 0.000 0.000 0.254 5 Q C -1.173 174.827 176.000 -0.000 0.000 0.917 5 Q CA -0.705 55.097 55.803 -0.001 0.000 0.919 5 Q CB 1.317 30.055 28.738 -0.000 0.000 1.237 5 Q HN 0.708 nan 8.270 nan 0.000 0.434 6 N N 2.008 120.708 118.700 0.000 0.000 2.444 6 N HA 0.589 5.329 4.740 0.000 0.000 0.262 6 N C -1.102 174.409 175.510 0.002 0.000 0.974 6 N CA -0.149 52.901 53.050 0.001 0.000 0.933 6 N CB 0.982 39.469 38.487 0.000 0.000 1.137 6 N HN 0.753 nan 8.380 nan 0.000 0.498 7 M N 0.476 120.078 119.600 0.002 0.000 2.662 7 M HA 0.344 4.824 4.480 0.000 0.000 0.310 7 M C 0.700 177.003 176.300 0.004 0.000 1.204 7 M CA -0.818 54.484 55.300 0.004 0.000 0.891 7 M CB 1.971 34.574 32.600 0.006 0.000 1.732 7 M HN 0.507 nan 8.290 nan 0.000 0.467 8 S N 1.171 116.874 115.700 0.005 0.000 2.632 8 S HA 0.321 4.791 4.470 0.000 0.000 0.267 8 S C 0.609 175.211 174.600 0.003 0.000 1.193 8 S CA -0.750 57.452 58.200 0.003 0.000 1.003 8 S CB 0.648 63.850 63.200 0.004 0.000 1.073 8 S HN 0.841 nan 8.310 nan 0.000 0.553 9 L N 0.106 121.329 121.223 0.001 0.000 2.221 9 L HA 0.176 4.516 4.340 0.000 0.000 0.202 9 L C 2.978 179.847 176.870 -0.000 0.000 1.074 9 L CA 2.114 56.953 54.840 -0.002 0.000 0.795 9 L CB -1.900 40.155 42.059 -0.007 0.000 0.960 9 L HN 1.038 nan 8.230 nan 0.000 0.458 10 E N 0.528 120.728 120.200 -0.000 0.000 2.031 10 E HA -0.276 4.074 4.350 0.000 0.000 0.193 10 E C 1.798 178.405 176.600 0.012 0.000 0.994 10 E CA 2.100 58.501 56.400 0.002 0.000 0.800 10 E CB -1.747 27.954 29.700 0.002 0.000 0.752 10 E HN 0.702 nan 8.360 nan 0.000 0.447 11 D N 0.412 120.821 120.400 0.014 0.000 2.084 11 D HA -0.006 4.634 4.640 0.000 0.000 0.196 11 D C 2.158 178.475 176.300 0.028 0.000 0.985 11 D CA 1.461 55.474 54.000 0.022 0.000 0.826 11 D CB -0.439 40.372 40.800 0.017 0.000 0.978 11 D HN 0.444 nan 8.370 nan 0.000 0.456 12 I N -0.190 120.394 120.570 0.023 0.000 2.194 12 I HA -0.257 3.913 4.170 0.000 0.000 0.246 12 I C 2.835 178.976 176.117 0.040 0.000 1.093 12 I CA 1.267 62.583 61.300 0.027 0.000 1.355 12 I CB -0.230 37.780 38.000 0.017 0.000 1.046 12 I HN 0.258 nan 8.210 nan 0.000 0.413 13 M N 0.201 119.820 119.600 0.033 0.000 2.159 13 M HA -0.142 4.338 4.480 0.000 0.000 0.263 13 M C 2.315 178.667 176.300 0.087 0.000 1.063 13 M CA 1.853 57.177 55.300 0.040 0.000 1.110 13 M CB -1.532 31.067 32.600 -0.001 0.000 1.374 13 M HN 0.328 nan 8.290 nan 0.000 0.411 14 G N 0.093 108.938 108.800 0.075 0.000 2.552 14 G HA2 -0.293 3.667 3.960 0.000 0.000 0.216 14 G HA3 -0.293 3.667 3.960 0.000 0.000 0.216 14 G C 1.465 176.439 174.900 0.124 0.000 1.240 14 G CA 2.254 47.416 45.100 0.104 0.000 0.796 14 G HN 0.520 nan 8.290 nan 0.000 0.568 15 E N 0.991 121.242 120.200 0.085 0.000 2.035 15 E HA -0.275 4.075 4.350 0.000 0.000 0.204 15 E C 2.501 179.158 176.600 0.096 0.000 1.025 15 E CA 2.086 58.531 56.400 0.075 0.000 0.835 15 E CB -0.711 29.019 29.700 0.049 0.000 0.764 15 E HN 0.288 nan 8.360 nan 0.000 0.457 16 R N -0.638 119.922 120.500 0.099 0.000 2.103 16 R HA -0.040 4.300 4.340 0.000 0.000 0.242 16 R C 2.229 178.637 176.300 0.179 0.000 1.142 16 R CA 1.523 57.690 56.100 0.112 0.000 0.960 16 R CB -1.448 28.905 30.300 0.090 0.000 0.858 16 R HN 0.624 nan 8.270 nan 0.000 0.439 17 F N 0.550 120.532 119.950 0.053 0.000 2.146 17 F HA -0.068 4.459 4.527 0.000 0.000 0.298 17 F C 2.331 178.210 175.800 0.132 0.000 1.096 17 F CA 1.494 59.545 58.000 0.086 0.000 1.275 17 F CB -0.432 38.604 39.000 0.060 0.000 1.008 17 F HN 0.180 nan 8.300 nan 0.000 0.480 18 G N 0.021 108.916 108.800 0.158 0.000 2.442 18 G HA2 -0.274 3.686 3.960 0.000 0.000 0.219 18 G HA3 -0.274 3.686 3.960 0.000 0.000 0.219 18 G C 1.713 176.627 174.900 0.025 0.000 1.141 18 G CA 0.808 45.953 45.100 0.075 0.000 0.763 18 G HN 0.258 nan 8.290 nan 0.000 0.554 19 R N -1.106 119.421 120.500 0.044 0.000 2.075 19 R HA -0.100 4.240 4.340 0.000 0.000 0.230 19 R C 2.333 178.658 176.300 0.042 0.000 1.140 19 R CA 1.614 57.736 56.100 0.037 0.000 0.928 19 R CB -0.704 29.620 30.300 0.040 0.000 0.834 19 R HN 0.447 nan 8.270 nan 0.000 0.429 20 Y N 1.811 122.051 120.300 -0.100 0.000 2.128 20 Y HA -0.299 4.251 4.550 0.000 0.000 0.284 20 Y C 2.589 178.388 175.900 -0.168 0.000 1.154 20 Y CA 1.977 60.010 58.100 -0.111 0.000 1.149 20 Y CB -0.309 38.051 38.460 -0.167 0.000 0.976 20 Y HN 0.157 nan 8.280 nan 0.000 0.505 21 S N 0.030 115.599 115.700 -0.217 0.000 2.365 21 S HA -0.279 4.191 4.470 0.000 0.000 0.225 21 S C 2.231 176.759 174.600 -0.120 0.000 1.039 21 S CA 1.996 60.043 58.200 -0.254 0.000 1.033 21 S CB -1.236 61.798 63.200 -0.277 0.000 0.887 21 S HN 0.557 nan 8.310 nan 0.000 0.447 22 K N 1.189 121.554 120.400 -0.058 0.000 1.973 22 K HA -0.057 4.263 4.320 0.000 0.000 0.212 22 K C 1.940 178.537 176.600 -0.005 0.000 1.047 22 K CA 1.553 57.834 56.287 -0.011 0.000 0.937 22 K CB -1.890 30.623 32.500 0.022 0.000 0.721 22 K HN 0.609 nan 8.250 nan 0.000 0.440 23 Y N 0.282 120.497 120.300 -0.142 0.000 2.114 23 Y HA -0.252 4.298 4.550 0.000 0.000 0.282 23 Y C 2.300 178.082 175.900 -0.196 0.000 1.165 23 Y CA 1.521 59.535 58.100 -0.143 0.000 1.148 23 Y CB -0.015 38.352 38.460 -0.155 0.000 0.972 23 Y HN 0.218 nan 8.280 nan 0.000 0.504 24 I N 0.518 120.934 120.570 -0.256 0.000 2.163 24 I HA -0.351 3.820 4.170 0.000 0.000 0.243 24 I C 2.346 178.327 176.117 -0.227 0.000 1.085 24 I CA 1.529 62.622 61.300 -0.345 0.000 1.347 24 I CB -1.167 36.557 38.000 -0.460 0.000 1.044 24 I HN 0.371 nan 8.210 nan 0.000 0.408 25 I N -0.015 120.462 120.570 -0.155 0.000 2.090 25 I HA -0.353 3.817 4.170 0.000 0.000 0.236 25 I C 2.571 178.602 176.117 -0.144 0.000 1.064 25 I CA 1.371 62.601 61.300 -0.116 0.000 1.324 25 I CB -0.375 37.566 38.000 -0.098 0.000 1.044 25 I HN 0.314 nan 8.210 nan 0.000 0.399 26 Q N 0.582 120.301 119.800 -0.135 0.000 1.890 26 Q HA -0.205 4.135 4.340 0.000 0.000 0.208 26 Q C 1.888 177.773 176.000 -0.192 0.000 0.982 26 Q CA 1.702 57.431 55.803 -0.124 0.000 0.856 26 Q CB -0.293 28.417 28.738 -0.046 0.000 0.915 26 Q HN 0.346 nan 8.270 nan 0.000 0.427 27 D N -0.348 119.870 120.400 -0.303 0.000 2.218 27 D HA -0.074 4.566 4.640 0.000 0.000 0.204 27 D C 1.754 177.793 176.300 -0.435 0.000 0.976 27 D CA 0.935 54.672 54.000 -0.439 0.000 0.853 27 D CB 0.128 40.435 40.800 -0.821 0.000 0.939 27 D HN 0.116 nan 8.370 nan 0.000 0.481 28 R N -0.429 119.821 120.500 -0.417 0.000 2.015 28 R HA 0.313 4.654 4.340 0.000 0.000 0.212 28 R C 1.953 178.150 176.300 -0.172 0.000 1.304 28 R CA 0.816 56.748 56.100 -0.281 0.000 1.040 28 R CB -0.225 29.918 30.300 -0.262 0.000 0.915 28 R HN 0.083 nan 8.270 nan 0.000 0.465 29 A N 1.172 123.905 122.820 -0.145 0.000 1.887 29 A HA 0.209 4.529 4.320 0.000 0.000 0.212 29 A C 1.034 178.570 177.584 -0.080 0.000 1.198 29 A CA 0.287 52.271 52.037 -0.089 0.000 0.628 29 A CB -0.148 18.818 19.000 -0.057 0.000 0.847 29 A HN 0.102 nan 8.150 nan 0.000 0.449 30 L N 2.090 123.257 121.223 -0.094 0.000 2.290 30 L HA 0.299 4.639 4.340 0.000 0.000 0.284 30 L C -2.295 174.515 176.870 -0.101 0.000 1.078 30 L CA -2.082 52.706 54.840 -0.086 0.000 0.815 30 L CB 0.900 42.901 42.059 -0.097 0.000 1.162 30 L HN 0.159 nan 8.230 nan 0.000 0.435 31 P HA -0.014 nan 4.420 nan 0.000 0.271 31 P C -0.753 176.474 177.300 -0.123 0.000 1.218 31 P CA -0.271 62.768 63.100 -0.102 0.000 0.780 31 P CB 0.930 32.581 31.700 -0.081 0.000 0.901 32 D N 1.827 122.138 120.400 -0.148 0.000 2.382 32 D HA 0.039 4.680 4.640 0.000 0.000 0.245 32 D C 1.195 177.393 176.300 -0.170 0.000 1.120 32 D CA -0.157 53.735 54.000 -0.180 0.000 0.890 32 D CB 0.857 41.525 40.800 -0.220 0.000 1.201 32 D HN 0.305 nan 8.370 nan 0.000 0.433 33 I N 3.507 123.976 120.570 -0.168 0.000 3.001 33 I HA -0.171 4.000 4.170 0.000 0.000 0.268 33 I C 1.870 177.903 176.117 -0.141 0.000 1.267 33 I CA 0.576 61.796 61.300 -0.132 0.000 1.472 33 I CB 0.188 38.122 38.000 -0.110 0.000 1.089 33 I HN 0.308 nan 8.210 nan 0.000 0.468 34 R N 0.438 120.799 120.500 -0.232 0.000 2.074 34 R HA -0.035 4.305 4.340 0.000 0.000 0.218 34 R C 1.360 177.509 176.300 -0.252 0.000 1.137 34 R CA 1.338 57.236 56.100 -0.336 0.000 0.998 34 R CB -0.297 29.553 30.300 -0.749 0.000 0.895 34 R HN 0.371 nan 8.270 nan 0.000 0.442 35 D N -0.270 119.963 120.400 -0.279 0.000 2.363 35 D HA 0.059 4.699 4.640 0.000 0.000 0.214 35 D C 0.804 176.982 176.300 -0.204 0.000 1.093 35 D CA 0.285 54.154 54.000 -0.219 0.000 0.837 35 D CB 0.238 40.907 40.800 -0.218 0.000 0.948 35 D HN 0.275 nan 8.370 nan 0.000 0.507 36 G N 1.081 109.774 108.800 -0.177 0.000 2.395 36 G HA2 -0.257 3.704 3.960 0.000 0.000 0.300 36 G HA3 -0.257 3.704 3.960 0.000 0.000 0.300 36 G C -0.209 174.609 174.900 -0.136 0.000 0.998 36 G CA 0.491 45.504 45.100 -0.145 0.000 1.046 36 G HN 0.442 nan 8.290 nan 0.000 0.513 37 L N -0.866 120.270 121.223 -0.144 0.000 2.386 37 L HA 0.741 5.082 4.340 0.000 0.000 0.271 37 L C 0.746 177.541 176.870 -0.126 0.000 0.993 37 L CA -0.696 54.066 54.840 -0.130 0.000 0.819 37 L CB 1.737 43.711 42.059 -0.141 0.000 1.294 37 L HN 0.321 nan 8.230 nan 0.000 0.414 38 K N 2.958 123.291 120.400 -0.111 0.000 2.202 38 K HA 0.336 4.656 4.320 0.000 0.000 0.264 38 K C -2.243 174.285 176.600 -0.120 0.000 1.010 38 K CA -1.245 54.975 56.287 -0.113 0.000 0.940 38 K CB -0.260 32.179 32.500 -0.101 0.000 0.983 38 K HN 0.385 nan 8.250 nan 0.000 0.475 39 P HA -0.187 nan 4.420 nan 0.000 0.216 39 P C 1.408 178.630 177.300 -0.130 0.000 1.153 39 P CA 1.136 64.176 63.100 -0.099 0.000 0.858 39 P CB 0.041 31.706 31.700 -0.058 0.000 0.789 40 V N -0.386 119.422 119.914 -0.176 0.000 2.252 40 V HA -0.342 3.778 4.120 0.000 0.000 0.249 40 V C 2.470 178.434 176.094 -0.217 0.000 1.056 40 V CA 2.041 64.141 62.300 -0.333 0.000 1.022 40 V CB -1.637 30.021 31.823 -0.273 0.000 0.641 40 V HN 0.137 nan 8.190 nan 0.000 0.445 41 Q N -0.313 119.397 119.800 -0.151 0.000 2.029 41 Q HA -0.293 4.047 4.340 0.000 0.000 0.209 41 Q C 2.521 178.453 176.000 -0.113 0.000 0.999 41 Q CA 2.483 58.216 55.803 -0.117 0.000 0.857 41 Q CB -0.374 28.302 28.738 -0.103 0.000 0.926 41 Q HN 0.539 nan 8.270 nan 0.000 0.415 42 R N 0.463 120.888 120.500 -0.125 0.000 2.096 42 R HA -0.170 4.170 4.340 0.000 0.000 0.240 42 R C 2.246 178.471 176.300 -0.125 0.000 1.139 42 R CA 1.699 57.723 56.100 -0.127 0.000 0.952 42 R CB -0.022 30.185 30.300 -0.155 0.000 0.854 42 R HN 0.134 nan 8.270 nan 0.000 0.436 43 R N 0.053 120.465 120.500 -0.147 0.000 2.096 43 R HA -0.067 4.273 4.340 0.000 0.000 0.235 43 R C 2.341 178.555 176.300 -0.142 0.000 1.127 43 R CA 1.670 57.668 56.100 -0.170 0.000 0.968 43 R CB -0.251 29.991 30.300 -0.097 0.000 0.861 43 R HN 0.316 nan 8.270 nan 0.000 0.440 44 I N 0.904 121.409 120.570 -0.107 0.000 2.127 44 I HA -0.332 3.838 4.170 0.000 0.000 0.241 44 I C 2.245 178.335 176.117 -0.045 0.000 1.075 44 I CA 1.495 62.761 61.300 -0.058 0.000 1.334 44 I CB -0.561 37.408 38.000 -0.052 0.000 1.040 44 I HN 0.180 nan 8.210 nan 0.000 0.405 45 L N -0.214 120.983 121.223 -0.042 0.000 1.989 45 L HA -0.286 4.055 4.340 0.000 0.000 0.211 45 L C 2.804 179.660 176.870 -0.023 0.000 1.071 45 L CA 1.935 56.763 54.840 -0.020 0.000 0.749 45 L CB -1.090 40.961 42.059 -0.014 0.000 0.890 45 L HN 0.241 nan 8.230 nan 0.000 0.431 46 Y N 0.570 120.765 120.300 -0.174 0.000 2.097 46 Y HA -0.354 4.196 4.550 0.000 0.000 0.282 46 Y C 3.129 178.904 175.900 -0.208 0.000 1.152 46 Y CA 2.083 60.061 58.100 -0.204 0.000 1.136 46 Y CB -0.202 38.065 38.460 -0.321 0.000 0.975 46 Y HN 0.161 nan 8.280 nan 0.000 0.498 47 S N 0.108 115.619 115.700 -0.315 0.000 2.370 47 S HA -0.281 4.189 4.470 0.000 0.000 0.226 47 S C 2.028 176.556 174.600 -0.119 0.000 1.033 47 S CA 1.847 59.894 58.200 -0.254 0.000 1.011 47 S CB -0.451 62.704 63.200 -0.075 0.000 0.852 47 S HN 0.623 nan 8.310 nan 0.000 0.457 48 M N 1.100 120.657 119.600 -0.070 0.000 2.059 48 M HA -0.112 4.368 4.480 0.000 0.000 0.259 48 M C 2.323 178.597 176.300 -0.043 0.000 1.072 48 M CA 2.164 57.454 55.300 -0.016 0.000 1.117 48 M CB -0.701 31.909 32.600 0.017 0.000 1.320 48 M HN 0.525 nan 8.290 nan 0.000 0.408 49 N N 0.662 119.316 118.700 -0.077 0.000 2.149 49 N HA -0.241 4.499 4.740 0.000 0.000 0.188 49 N C 1.547 176.977 175.510 -0.134 0.000 1.019 49 N CA 1.815 54.816 53.050 -0.082 0.000 0.857 49 N CB -0.136 38.306 38.487 -0.076 0.000 0.997 49 N HN 0.251 nan 8.380 nan 0.000 0.426 50 K N -0.033 120.207 120.400 -0.265 0.000 2.032 50 K HA -0.159 4.161 4.320 0.000 0.000 0.209 50 K C 1.388 177.927 176.600 -0.102 0.000 1.048 50 K CA 1.969 58.100 56.287 -0.260 0.000 0.927 50 K CB -0.725 31.527 32.500 -0.413 0.000 0.712 50 K HN 0.382 nan 8.250 nan 0.000 0.441 51 D N 0.882 121.246 120.400 -0.058 0.000 2.348 51 D HA 0.044 4.684 4.640 0.000 0.000 0.248 51 D C 0.162 176.464 176.300 0.004 0.000 1.142 51 D CA 0.598 54.597 54.000 -0.002 0.000 0.904 51 D CB -0.873 39.946 40.800 0.031 0.000 0.901 51 D HN 0.461 nan 8.370 nan 0.000 0.523 52 S N -0.017 115.677 115.700 -0.010 0.000 3.739 52 S HA -0.246 4.225 4.470 0.000 0.000 0.205 52 S C 0.157 174.774 174.600 0.029 0.000 0.611 52 S CA 0.501 58.705 58.200 0.007 0.000 1.381 52 S CB -1.209 61.998 63.200 0.012 0.000 1.448 52 S HN 0.582 nan 8.310 nan 0.000 0.358 53 N N 2.641 121.363 118.700 0.037 0.000 3.114 53 N HA 0.248 4.988 4.740 0.000 0.000 0.289 53 N C -0.224 175.336 175.510 0.083 0.000 1.519 53 N CA 0.034 53.121 53.050 0.061 0.000 1.026 53 N CB 0.764 39.294 38.487 0.073 0.000 1.306 53 N HN 0.834 nan 8.380 nan 0.000 0.495 54 T N -1.086 113.525 114.554 0.096 0.000 2.945 54 T HA 0.217 4.567 4.350 0.000 0.000 0.286 54 T C 1.610 176.467 174.700 0.262 0.000 1.025 54 T CA -0.814 61.392 62.100 0.177 0.000 1.039 54 T CB 0.624 69.614 68.868 0.203 0.000 1.068 54 T HN 0.167 nan 8.240 nan 0.000 0.497 55 F N 1.606 121.556 119.950 -0.000 0.000 2.225 55 F HA -0.146 4.381 4.527 0.000 0.000 0.302 55 F C 1.190 176.945 175.800 -0.075 0.000 1.068 55 F CA 1.415 59.398 58.000 -0.027 0.000 1.327 55 F CB -1.688 37.331 39.000 0.033 0.000 1.043 55 F HN 0.689 nan 8.300 nan 0.000 0.506 56 D N 0.038 120.273 120.400 -0.276 0.000 2.271 56 D HA 0.176 4.816 4.640 0.000 0.000 0.206 56 D C 1.249 177.390 176.300 -0.266 0.000 0.967 56 D CA 1.068 54.696 54.000 -0.620 0.000 0.867 56 D CB -0.263 40.419 40.800 -0.197 0.000 0.960 56 D HN 0.493 nan 8.370 nan 0.000 0.509 57 K N 0.619 120.948 120.400 -0.119 0.000 2.132 57 K HA 0.595 4.916 4.320 0.000 0.000 0.241 57 K C 0.418 176.917 176.600 -0.168 0.000 1.000 57 K CA -0.310 55.915 56.287 -0.103 0.000 0.911 57 K CB 0.576 33.060 32.500 -0.027 0.000 1.093 57 K HN 0.159 nan 8.250 nan 0.000 0.460 58 S N -0.835 114.785 115.700 -0.134 0.000 2.572 58 S HA 0.181 4.651 4.470 0.000 0.000 0.262 58 S C 0.006 174.527 174.600 -0.133 0.000 1.375 58 S CA -0.110 57.999 58.200 -0.152 0.000 0.996 58 S CB -0.273 62.897 63.200 -0.049 0.000 0.892 58 S HN 0.367 nan 8.310 nan 0.000 0.562 59 Y N 0.600 120.907 120.300 0.011 0.000 2.300 59 Y HA 0.539 5.089 4.550 0.000 0.000 0.328 59 Y C 1.034 176.965 175.900 0.051 0.000 1.270 59 Y CA -0.009 58.115 58.100 0.040 0.000 1.352 59 Y CB 0.670 39.156 38.460 0.044 0.000 1.286 59 Y HN 0.832 nan 8.280 nan 0.000 0.536 60 R N 1.835 122.500 120.500 0.274 0.000 2.514 60 R HA 0.373 4.713 4.340 0.000 0.000 0.296 60 R C -0.795 175.595 176.300 0.149 0.000 1.012 60 R CA -1.545 54.656 56.100 0.168 0.000 0.897 60 R CB 0.685 31.063 30.300 0.130 0.000 1.184 60 R HN 0.717 nan 8.270 nan 0.000 0.440 61 K N 1.947 122.418 120.400 0.118 0.000 2.289 61 K HA -0.109 4.211 4.320 0.000 0.000 0.251 61 K C 1.096 177.752 176.600 0.093 0.000 1.307 61 K CA 1.027 57.370 56.287 0.093 0.000 1.290 61 K CB -0.343 32.195 32.500 0.063 0.000 0.757 61 K HN 0.768 nan 8.250 nan 0.000 0.513 62 S N 2.777 118.547 115.700 0.117 0.000 2.408 62 S HA -0.363 4.107 4.470 0.000 0.000 0.241 62 S C 1.865 176.521 174.600 0.094 0.000 1.080 62 S CA 1.738 60.029 58.200 0.152 0.000 1.109 62 S CB -0.304 63.054 63.200 0.263 0.000 0.966 62 S HN 0.806 nan 8.310 nan 0.000 0.449 63 A N 1.075 123.903 122.820 0.013 0.000 1.908 63 A HA -0.183 4.137 4.320 0.000 0.000 0.218 63 A C 2.030 179.634 177.584 0.032 0.000 1.181 63 A CA 1.963 53.989 52.037 -0.019 0.000 0.627 63 A CB -0.570 18.384 19.000 -0.076 0.000 0.818 63 A HN 0.505 nan 8.150 nan 0.000 0.445 64 K N -0.242 120.185 120.400 0.044 0.000 2.020 64 K HA -0.166 4.154 4.320 0.000 0.000 0.212 64 K C 2.343 178.994 176.600 0.085 0.000 1.050 64 K CA 1.732 58.055 56.287 0.060 0.000 0.929 64 K CB -0.297 32.239 32.500 0.060 0.000 0.714 64 K HN 0.419 nan 8.250 nan 0.000 0.443 65 S N 0.307 116.066 115.700 0.099 0.000 2.372 65 S HA -0.169 4.301 4.470 0.000 0.000 0.227 65 S C 1.944 176.625 174.600 0.134 0.000 1.044 65 S CA 1.727 59.998 58.200 0.117 0.000 1.050 65 S CB -0.304 62.972 63.200 0.128 0.000 0.901 65 S HN 0.198 nan 8.310 nan 0.000 0.447 66 V N 1.286 121.282 119.914 0.136 0.000 2.343 66 V HA -0.113 4.007 4.120 0.000 0.000 0.247 66 V C 2.636 178.819 176.094 0.148 0.000 1.051 66 V CA 1.865 64.257 62.300 0.152 0.000 1.036 66 V CB -1.592 30.316 31.823 0.141 0.000 0.654 66 V HN 0.579 nan 8.190 nan 0.000 0.451 67 G N 0.119 108.987 108.800 0.114 0.000 2.422 67 G HA2 -0.273 3.688 3.960 0.000 0.000 0.218 67 G HA3 -0.273 3.688 3.960 0.000 0.000 0.218 67 G C 1.396 176.378 174.900 0.136 0.000 1.146 67 G CA 1.198 46.364 45.100 0.109 0.000 0.769 67 G HN 0.584 nan 8.290 nan 0.000 0.547 68 N N 0.305 119.090 118.700 0.142 0.000 2.142 68 N HA -0.004 4.736 4.740 0.000 0.000 0.186 68 N C 2.135 177.795 175.510 0.249 0.000 1.023 68 N CA 0.848 53.996 53.050 0.164 0.000 0.852 68 N CB -0.148 38.430 38.487 0.150 0.000 0.998 68 N HN 0.328 nan 8.380 nan 0.000 0.424 69 I N 0.492 121.232 120.570 0.284 0.000 2.099 69 I HA -0.324 3.847 4.170 0.000 0.000 0.239 69 I C 2.265 178.630 176.117 0.414 0.000 1.066 69 I CA 1.213 62.751 61.300 0.398 0.000 1.324 69 I CB -0.243 37.924 38.000 0.278 0.000 1.037 69 I HN 0.212 nan 8.210 nan 0.000 0.401 70 M N 0.285 120.082 119.600 0.329 0.000 2.108 70 M HA -0.230 4.250 4.480 0.000 0.000 0.257 70 M C 2.223 178.712 176.300 0.316 0.000 1.071 70 M CA 2.357 57.851 55.300 0.323 0.000 1.093 70 M CB -0.731 32.002 32.600 0.221 0.000 1.345 70 M HN 0.434 nan 8.290 nan 0.000 0.403 71 G N -0.540 108.402 108.800 0.236 0.000 2.394 71 G HA2 -0.182 3.778 3.960 0.000 0.000 0.214 71 G HA3 -0.182 3.778 3.960 0.000 0.000 0.214 71 G C 1.200 176.195 174.900 0.157 0.000 1.176 71 G CA 0.858 46.077 45.100 0.198 0.000 0.786 71 G HN 0.377 nan 8.290 nan 0.000 0.533 72 N N 0.231 118.924 118.700 -0.012 0.000 2.182 72 N HA 0.075 4.815 4.740 0.000 0.000 0.186 72 N C 1.715 176.797 175.510 -0.714 0.000 1.036 72 N CA 0.917 53.676 53.050 -0.485 0.000 0.850 72 N CB -0.400 37.582 38.487 -0.843 0.000 1.010 72 N HN 0.384 nan 8.380 nan 0.000 0.432 73 F N -1.419 118.606 119.950 0.126 0.000 2.559 73 F HA 0.248 4.775 4.527 0.000 0.000 0.286 73 F C 0.451 176.499 175.800 0.413 0.000 1.108 73 F CA -0.018 58.077 58.000 0.157 0.000 1.436 73 F CB 0.140 39.261 39.000 0.201 0.000 1.130 73 F HN 0.012 nan 8.300 nan 0.000 0.584 74 H N 1.202 120.623 119.070 0.585 0.000 2.953 74 H HA 0.359 4.915 4.556 0.000 0.000 0.290 74 H C -2.707 172.912 175.328 0.484 0.000 1.113 74 H CA -2.908 53.471 56.048 0.552 0.000 1.454 74 H CB 1.199 31.211 29.762 0.417 0.000 1.525 74 H HN -0.252 nan 8.280 nan 0.000 0.505 75 P HA 0.117 nan 4.420 nan 0.000 0.231 75 P C -0.672 176.164 177.300 -0.772 0.000 1.756 75 P CA 0.528 63.375 63.100 -0.422 0.000 0.990 75 P CB -0.142 31.148 31.700 -0.683 0.000 1.973 76 H N -0.948 118.080 119.070 -0.069 0.000 3.015 76 H HA 0.399 4.955 4.556 0.000 0.000 0.282 76 H C 0.587 175.956 175.328 0.069 0.000 1.508 76 H CA -1.079 54.956 56.048 -0.022 0.000 1.209 76 H CB 0.718 30.445 29.762 -0.059 0.000 1.869 76 H HN 0.086 nan 8.280 nan 0.000 0.591 77 G N 0.554 109.496 108.800 0.238 0.000 2.484 77 G HA2 -0.057 3.903 3.960 0.000 0.000 0.235 77 G HA3 -0.057 3.903 3.960 0.000 0.000 0.235 77 G C 0.876 175.891 174.900 0.191 0.000 1.282 77 G CA 0.254 45.454 45.100 0.168 0.000 0.857 77 G HN 0.700 nan 8.290 nan 0.000 0.571 78 D N 1.363 121.849 120.400 0.143 0.000 2.092 78 D HA -0.260 4.381 4.640 0.000 0.000 0.193 78 D C 2.430 178.833 176.300 0.172 0.000 0.994 78 D CA 1.818 55.905 54.000 0.144 0.000 0.828 78 D CB -0.569 40.281 40.800 0.082 0.000 0.963 78 D HN 0.494 nan 8.370 nan 0.000 0.450 79 S N 1.366 117.154 115.700 0.147 0.000 2.370 79 S HA -0.195 4.276 4.470 0.000 0.000 0.226 79 S C 2.331 177.036 174.600 0.175 0.000 1.033 79 S CA 1.613 59.915 58.200 0.170 0.000 1.011 79 S CB -0.712 62.564 63.200 0.127 0.000 0.852 79 S HN 0.282 nan 8.310 nan 0.000 0.457 80 S N 2.730 118.522 115.700 0.153 0.000 2.359 80 S HA -0.062 4.408 4.470 0.000 0.000 0.223 80 S C 1.878 176.545 174.600 0.113 0.000 1.039 80 S CA 1.709 59.986 58.200 0.128 0.000 1.042 80 S CB -0.728 62.559 63.200 0.145 0.000 0.915 80 S HN 0.546 nan 8.310 nan 0.000 0.439 81 I N 0.076 120.741 120.570 0.157 0.000 2.113 81 I HA -0.216 3.954 4.170 0.000 0.000 0.238 81 I C 2.409 178.589 176.117 0.106 0.000 1.070 81 I CA 1.830 63.194 61.300 0.107 0.000 1.332 81 I CB -0.559 37.542 38.000 0.168 0.000 1.044 81 I HN 0.256 nan 8.210 nan 0.000 0.402 82 Y N 2.186 122.516 120.300 0.049 0.000 2.165 82 Y HA -0.336 4.214 4.550 0.000 0.000 0.286 82 Y C 2.509 178.426 175.900 0.028 0.000 1.155 82 Y CA 2.102 60.225 58.100 0.040 0.000 1.164 82 Y CB -1.043 37.446 38.460 0.048 0.000 0.978 82 Y HN 0.340 nan 8.280 nan 0.000 0.513 83 D N 0.053 120.436 120.400 -0.029 0.000 2.123 83 D HA -0.167 4.473 4.640 0.000 0.000 0.196 83 D C 2.209 178.413 176.300 -0.160 0.000 0.992 83 D CA 1.993 55.922 54.000 -0.119 0.000 0.833 83 D CB -1.045 39.771 40.800 0.026 0.000 0.954 83 D HN 0.623 nan 8.370 nan 0.000 0.455 84 A N -0.294 122.466 122.820 -0.100 0.000 1.902 84 A HA 0.031 4.351 4.320 0.000 0.000 0.217 84 A C 2.368 179.869 177.584 -0.138 0.000 1.181 84 A CA 2.079 54.054 52.037 -0.103 0.000 0.623 84 A CB -0.534 18.419 19.000 -0.079 0.000 0.818 84 A HN 0.546 nan 8.150 nan 0.000 0.443 85 M N -0.201 119.305 119.600 -0.158 0.000 2.108 85 M HA -0.144 4.336 4.480 0.000 0.000 0.261 85 M C 1.861 178.031 176.300 -0.217 0.000 1.066 85 M CA 1.910 57.117 55.300 -0.154 0.000 1.107 85 M CB -0.208 32.325 32.600 -0.112 0.000 1.356 85 M HN 0.223 nan 8.290 nan 0.000 0.406 86 V N 0.160 119.855 119.914 -0.365 0.000 2.427 86 V HA -0.257 3.863 4.120 0.000 0.000 0.248 86 V C 2.374 178.337 176.094 -0.220 0.000 1.051 86 V CA 2.047 64.150 62.300 -0.328 0.000 1.048 86 V CB -0.954 30.604 31.823 -0.442 0.000 0.666 86 V HN 0.534 nan 8.190 nan 0.000 0.456 87 R N 0.131 120.513 120.500 -0.197 0.000 2.073 87 R HA -0.148 4.192 4.340 0.000 0.000 0.234 87 R C 2.298 178.482 176.300 -0.194 0.000 1.134 87 R CA 1.798 57.781 56.100 -0.194 0.000 0.952 87 R CB -0.255 29.957 30.300 -0.146 0.000 0.850 87 R HN 0.432 nan 8.270 nan 0.000 0.433 88 M N 0.482 119.997 119.600 -0.142 0.000 2.435 88 M HA -0.090 4.390 4.480 0.000 0.000 0.262 88 M C 1.576 177.819 176.300 -0.095 0.000 1.065 88 M CA 1.525 56.764 55.300 -0.102 0.000 1.076 88 M CB -0.149 32.410 32.600 -0.068 0.000 1.403 88 M HN 0.178 nan 8.290 nan 0.000 0.454 89 S N -0.892 114.735 115.700 -0.122 0.000 2.614 89 S HA 0.152 4.622 4.470 0.000 0.000 0.230 89 S C 0.385 174.882 174.600 -0.173 0.000 0.952 89 S CA -0.488 57.654 58.200 -0.098 0.000 0.949 89 S CB -0.065 63.095 63.200 -0.066 0.000 0.786 89 S HN 0.453 nan 8.310 nan 0.000 0.478 90 Q N 2.680 122.292 119.800 -0.314 0.000 2.506 90 Q HA 0.316 4.656 4.340 0.000 0.000 0.242 90 Q C 1.175 176.818 176.000 -0.595 0.000 1.060 90 Q CA -0.471 54.929 55.803 -0.671 0.000 0.826 90 Q CB 0.779 28.878 28.738 -1.065 0.000 1.169 90 Q HN 0.648 nan 8.270 nan 0.000 0.521 91 N N 1.595 120.133 118.700 -0.272 0.000 2.091 91 N HA -0.242 4.498 4.740 0.000 0.000 0.193 91 N C 1.357 176.873 175.510 0.010 0.000 1.021 91 N CA 1.825 54.842 53.050 -0.054 0.000 0.862 91 N CB -0.240 38.302 38.487 0.093 0.000 1.018 91 N HN 0.759 nan 8.380 nan 0.000 0.429 92 W N 1.273 122.601 121.300 0.047 0.000 2.519 92 W HA 0.232 4.892 4.660 0.000 0.000 0.266 92 W C 1.737 178.313 176.519 0.095 0.000 1.253 92 W CA 0.143 57.524 57.345 0.059 0.000 1.274 92 W CB 0.068 29.538 29.460 0.016 0.000 1.114 92 W HN -0.086 nan 8.180 nan 0.000 0.596 93 K N 0.804 120.807 120.400 -0.662 0.000 2.063 93 K HA 0.024 4.344 4.320 0.000 0.000 0.204 93 K C 1.246 177.852 176.600 0.009 0.000 1.039 93 K CA 1.099 57.207 56.287 -0.298 0.000 0.957 93 K CB -0.784 31.417 32.500 -0.499 0.000 0.764 93 K HN 0.165 nan 8.250 nan 0.000 0.447 94 N N 0.785 119.424 118.700 -0.102 0.000 2.524 94 N HA 0.292 5.032 4.740 0.000 0.000 0.283 94 N C 0.778 176.293 175.510 0.008 0.000 1.142 94 N CA 0.288 53.327 53.050 -0.019 0.000 0.984 94 N CB 0.555 39.012 38.487 -0.049 0.000 1.155 94 N HN 0.296 nan 8.380 nan 0.000 0.467 95 R N 0.240 120.751 120.500 0.018 0.000 2.056 95 R HA 0.117 4.457 4.340 0.000 0.000 0.227 95 R C 0.716 177.024 176.300 0.013 0.000 1.149 95 R CA 1.649 57.757 56.100 0.014 0.000 0.937 95 R CB -0.881 29.412 30.300 -0.011 0.000 0.835 95 R HN 0.755 nan 8.270 nan 0.000 0.430 96 E N 0.204 120.413 120.200 0.014 0.000 2.055 96 E HA 0.393 4.743 4.350 0.000 0.000 0.274 96 E C -1.012 175.601 176.600 0.022 0.000 0.949 96 E CA -0.462 55.939 56.400 0.002 0.000 0.775 96 E CB 0.577 30.237 29.700 -0.067 0.000 1.097 96 E HN 0.424 nan 8.360 nan 0.000 0.404 97 I N 4.810 125.394 120.570 0.022 0.000 2.648 97 I HA -0.033 4.137 4.170 0.000 0.000 0.284 97 I C 0.491 176.634 176.117 0.043 0.000 1.153 97 I CA 0.229 61.540 61.300 0.019 0.000 1.426 97 I CB 0.648 38.656 38.000 0.015 0.000 1.381 97 I HN 0.630 nan 8.210 nan 0.000 0.571 98 L N 7.557 128.802 121.223 0.036 0.000 2.769 98 L HA 0.351 4.691 4.340 0.000 0.000 0.240 98 L C -0.566 176.336 176.870 0.054 0.000 1.163 98 L CA -0.043 54.830 54.840 0.055 0.000 0.962 98 L CB -0.038 42.049 42.059 0.047 0.000 1.258 98 L HN 0.285 nan 8.230 nan 0.000 0.513 99 V N 0.262 120.208 119.914 0.053 0.000 2.924 99 V HA 0.217 4.338 4.120 0.000 0.000 0.300 99 V C -0.985 175.166 176.094 0.097 0.000 1.227 99 V CA -0.758 61.587 62.300 0.075 0.000 0.954 99 V CB 2.983 34.828 31.823 0.036 0.000 1.055 99 V HN 0.251 nan 8.190 nan 0.000 0.429 100 E N 4.865 125.167 120.200 0.171 0.000 2.158 100 E HA 0.713 5.063 4.350 0.000 0.000 0.271 100 E C -0.859 175.837 176.600 0.160 0.000 0.911 100 E CA -0.679 55.841 56.400 0.200 0.000 0.767 100 E CB 2.766 32.656 29.700 0.316 0.000 1.120 100 E HN 0.554 nan 8.360 nan 0.000 0.405 101 M N 2.754 122.377 119.600 0.039 0.000 2.528 101 M HA 0.238 4.718 4.480 0.000 0.000 0.321 101 M C -1.199 175.030 176.300 -0.118 0.000 1.153 101 M CA -0.741 54.523 55.300 -0.059 0.000 0.951 101 M CB 2.200 34.792 32.600 -0.014 0.000 1.705 101 M HN 0.636 nan 8.290 nan 0.000 0.451 102 H N 2.922 121.781 119.070 -0.351 0.000 2.539 102 H HA 0.652 5.208 4.556 0.000 0.000 0.332 102 H C -0.415 174.839 175.328 -0.122 0.000 1.031 102 H CA 0.696 56.568 56.048 -0.294 0.000 1.206 102 H CB 1.057 30.509 29.762 -0.516 0.000 1.446 102 H HN 0.909 nan 8.280 nan 0.000 0.496 103 G N 3.982 112.493 108.800 -0.482 0.000 2.318 103 G HA2 -0.241 3.719 3.960 0.000 0.000 0.367 103 G HA3 -0.241 3.719 3.960 0.000 0.000 0.367 103 G C -1.116 173.703 174.900 -0.135 0.000 1.260 103 G CA -0.604 44.296 45.100 -0.334 0.000 1.055 103 G HN 0.721 nan 8.290 nan 0.000 0.484 104 N N 1.564 120.216 118.700 -0.080 0.000 2.406 104 N HA 0.313 5.053 4.740 0.000 0.000 0.251 104 N C 0.423 175.957 175.510 0.040 0.000 1.069 104 N CA 0.078 53.114 53.050 -0.022 0.000 0.947 104 N CB 0.081 38.544 38.487 -0.040 0.000 1.111 104 N HN 0.710 nan 8.380 nan 0.000 0.497 105 N N 3.314 122.056 118.700 0.071 0.000 2.610 105 N HA 0.252 4.992 4.740 0.000 0.000 0.309 105 N C 0.576 176.203 175.510 0.195 0.000 1.536 105 N CA -0.084 53.028 53.050 0.104 0.000 0.954 105 N CB -0.145 38.381 38.487 0.066 0.000 1.310 105 N HN 0.684 nan 8.380 nan 0.000 0.502 106 G N 0.604 109.497 108.800 0.155 0.000 2.645 106 G HA2 -0.130 3.830 3.960 0.000 0.000 0.246 106 G HA3 -0.130 3.830 3.960 0.000 0.000 0.246 106 G C -0.346 174.636 174.900 0.137 0.000 1.322 106 G CA 0.266 45.466 45.100 0.166 0.000 0.898 106 G HN 1.447 nan 8.290 nan 0.000 0.573 107 S N -3.166 112.464 115.700 -0.117 0.000 2.806 107 S HA 0.558 5.028 4.470 0.000 0.000 0.294 107 S C 1.098 174.961 174.600 -1.228 0.000 1.239 107 S CA 0.419 58.122 58.200 -0.828 0.000 1.052 107 S CB 0.301 63.238 63.200 -0.438 0.000 1.332 107 S HN 1.030 nan 8.310 nan 0.000 0.516 108 M N 0.942 119.860 119.600 -1.137 0.000 2.447 108 M HA 0.145 4.625 4.480 0.000 0.000 0.264 108 M C 0.393 176.446 176.300 -0.411 0.000 1.095 108 M CA 0.915 55.710 55.300 -0.842 0.000 1.125 108 M CB -0.649 31.567 32.600 -0.640 0.000 1.389 108 M HN 0.562 nan 8.290 nan 0.000 0.459 109 D N 0.370 120.578 120.400 -0.319 0.000 2.371 109 D HA 0.044 4.684 4.640 0.000 0.000 0.221 109 D C 1.558 177.773 176.300 -0.142 0.000 0.986 109 D CA 1.105 54.992 54.000 -0.187 0.000 0.899 109 D CB 0.008 40.721 40.800 -0.145 0.000 0.902 109 D HN 0.521 nan 8.370 nan 0.000 0.530 110 G N 1.101 109.805 108.800 -0.161 0.000 2.199 110 G HA2 -0.305 3.655 3.960 0.000 0.000 0.254 110 G HA3 -0.305 3.655 3.960 0.000 0.000 0.254 110 G C -0.130 174.751 174.900 -0.032 0.000 0.982 110 G CA 0.196 45.254 45.100 -0.071 0.000 0.632 110 G HN 0.440 nan 8.290 nan 0.000 0.529 111 D N 1.465 121.834 120.400 -0.051 0.000 2.601 111 D HA 0.400 5.040 4.640 0.000 0.000 0.229 111 D C -2.040 174.271 176.300 0.019 0.000 1.140 111 D CA -0.381 53.606 54.000 -0.021 0.000 0.862 111 D CB 0.086 40.864 40.800 -0.037 0.000 1.192 111 D HN 0.355 nan 8.370 nan 0.000 0.480 112 P HA 0.320 nan 4.420 nan 0.000 0.284 112 P C -2.619 174.728 177.300 0.078 0.000 1.253 112 P CA -1.698 61.439 63.100 0.062 0.000 0.800 112 P CB 0.278 32.013 31.700 0.057 0.000 0.961 113 P HA 0.136 nan 4.420 nan 0.000 0.269 113 P C -0.317 177.078 177.300 0.159 0.000 1.209 113 P CA -0.009 63.168 63.100 0.127 0.000 0.776 113 P CB 0.223 32.000 31.700 0.128 0.000 0.876 114 A N 2.718 125.630 122.820 0.154 0.000 2.445 114 A HA 0.467 4.787 4.320 0.000 0.000 0.242 114 A C 0.695 178.464 177.584 0.309 0.000 1.075 114 A CA 0.008 52.158 52.037 0.188 0.000 0.777 114 A CB -0.493 18.570 19.000 0.104 0.000 1.013 114 A HN 0.658 nan 8.150 nan 0.000 0.493 115 A N 2.401 125.435 122.820 0.355 0.000 2.577 115 A HA 0.267 4.587 4.320 0.000 0.000 0.233 115 A C 1.456 179.017 177.584 -0.038 0.000 1.076 115 A CA 0.659 52.781 52.037 0.141 0.000 0.767 115 A CB -0.300 18.731 19.000 0.052 0.000 1.017 115 A HN 1.568 nan 8.150 nan 0.000 0.511 116 M N 1.875 121.195 119.600 -0.466 0.000 2.229 116 M HA -0.135 4.346 4.480 0.000 0.000 0.264 116 M C 1.819 177.948 176.300 -0.286 0.000 1.063 116 M CA 2.088 56.975 55.300 -0.688 0.000 1.114 116 M CB -0.383 31.455 32.600 -1.269 0.000 1.387 116 M HN 0.798 nan 8.290 nan 0.000 0.420 117 R N -0.243 120.062 120.500 -0.326 0.000 2.293 117 R HA -0.129 4.211 4.340 0.000 0.000 0.219 117 R C 0.844 176.985 176.300 -0.265 0.000 1.091 117 R CA 1.226 57.142 56.100 -0.308 0.000 1.004 117 R CB -1.029 29.031 30.300 -0.400 0.000 0.865 117 R HN 0.468 nan 8.270 nan 0.000 0.469 118 Y N 2.374 122.653 120.300 -0.035 0.000 2.190 118 Y HA -0.009 4.541 4.550 0.000 0.000 0.290 118 Y C 1.992 177.897 175.900 0.007 0.000 1.115 118 Y CA 1.050 59.144 58.100 -0.009 0.000 1.107 118 Y CB -0.887 37.569 38.460 -0.008 0.000 1.033 118 Y HN 0.132 nan 8.280 nan 0.000 0.502 119 T N 0.715 115.389 114.554 0.201 0.000 2.701 119 T HA 0.256 4.607 4.350 0.000 0.000 0.303 119 T C -0.330 174.440 174.700 0.117 0.000 1.030 119 T CA -0.562 61.624 62.100 0.143 0.000 1.010 119 T CB 0.676 69.665 68.868 0.201 0.000 1.007 119 T HN 0.318 nan 8.240 nan 0.000 0.532 120 E N -0.175 120.072 120.200 0.078 0.000 2.331 120 E HA 0.636 4.986 4.350 0.000 0.000 0.275 120 E C -1.185 175.426 176.600 0.018 0.000 0.895 120 E CA -1.493 54.953 56.400 0.076 0.000 0.753 120 E CB 2.237 31.986 29.700 0.082 0.000 1.216 120 E HN 0.908 nan 8.360 nan 0.000 0.434 121 A N 1.971 124.868 122.820 0.128 0.000 2.556 121 A HA 0.838 5.158 4.320 0.000 0.000 0.294 121 A C -0.879 176.907 177.584 0.336 0.000 1.091 121 A CA -0.868 51.274 52.037 0.175 0.000 0.704 121 A CB 1.752 20.831 19.000 0.132 0.000 1.300 121 A HN 0.772 nan 8.150 nan 0.000 0.406 122 R N 0.444 121.178 120.500 0.391 0.000 2.831 122 R HA 0.814 5.154 4.340 0.000 0.000 0.266 122 R C -1.593 174.832 176.300 0.208 0.000 1.051 122 R CA -0.882 55.388 56.100 0.284 0.000 0.943 122 R CB 0.836 31.282 30.300 0.244 0.000 1.228 122 R HN 0.511 nan 8.270 nan 0.000 0.467 123 L N 2.049 123.367 121.223 0.159 0.000 2.395 123 L HA 0.299 4.639 4.340 0.000 0.000 0.269 123 L C 0.719 177.693 176.870 0.172 0.000 1.133 123 L CA -0.517 54.402 54.840 0.131 0.000 0.812 123 L CB 1.703 43.815 42.059 0.087 0.000 1.125 123 L HN 0.987 nan 8.230 nan 0.000 0.452 124 S N 0.949 116.738 115.700 0.148 0.000 2.625 124 S HA 0.076 4.546 4.470 0.000 0.000 0.262 124 S C 0.814 175.490 174.600 0.126 0.000 1.223 124 S CA -0.309 58.000 58.200 0.181 0.000 0.993 124 S CB 1.038 64.322 63.200 0.140 0.000 1.051 124 S HN 0.732 nan 8.310 nan 0.000 0.562 125 E N -0.241 120.044 120.200 0.141 0.000 2.021 125 E HA -0.008 4.342 4.350 0.000 0.000 0.189 125 E C 1.941 178.597 176.600 0.092 0.000 0.980 125 E CA 0.638 56.989 56.400 -0.082 0.000 0.803 125 E CB -0.259 29.504 29.700 0.104 0.000 0.766 125 E HN 0.681 nan 8.360 nan 0.000 0.449 126 I N 0.727 121.422 120.570 0.207 0.000 2.530 126 I HA -0.242 3.928 4.170 0.000 0.000 0.257 126 I C 2.115 178.214 176.117 -0.030 0.000 1.179 126 I CA 1.024 62.129 61.300 -0.326 0.000 1.440 126 I CB -0.052 37.482 38.000 -0.777 0.000 1.087 126 I HN 0.225 nan 8.210 nan 0.000 0.440 127 A N 0.544 123.407 122.820 0.072 0.000 1.908 127 A HA -0.192 4.129 4.320 0.000 0.000 0.218 127 A C 2.369 180.020 177.584 0.112 0.000 1.181 127 A CA 1.807 53.909 52.037 0.108 0.000 0.627 127 A CB -1.577 17.468 19.000 0.076 0.000 0.818 127 A HN 0.509 nan 8.150 nan 0.000 0.445 128 G N -1.821 107.036 108.800 0.094 0.000 2.442 128 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 128 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 128 G C 1.449 176.387 174.900 0.063 0.000 1.141 128 G CA 1.137 46.264 45.100 0.045 0.000 0.763 128 G HN 0.629 nan 8.290 nan 0.000 0.554 129 Y N 0.344 120.630 120.300 -0.023 0.000 2.274 129 Y HA 0.018 4.568 4.550 0.000 0.000 0.290 129 Y C 2.765 178.699 175.900 0.056 0.000 1.145 129 Y CA 0.335 58.445 58.100 0.017 0.000 1.203 129 Y CB -0.068 38.368 38.460 -0.040 0.000 0.984 129 Y HN 0.079 nan 8.280 nan 0.000 0.533 130 L N -0.464 120.883 121.223 0.206 0.000 2.046 130 L HA -0.259 4.082 4.340 0.000 0.000 0.208 130 L C 1.995 178.875 176.870 0.017 0.000 1.077 130 L CA 1.420 56.289 54.840 0.048 0.000 0.747 130 L CB -0.603 41.451 42.059 -0.007 0.000 0.896 130 L HN 0.344 nan 8.230 nan 0.000 0.432 131 L N -0.290 120.947 121.223 0.023 0.000 2.313 131 L HA -0.065 4.275 4.340 0.000 0.000 0.214 131 L C 1.716 178.578 176.870 -0.014 0.000 1.119 131 L CA -0.058 54.789 54.840 0.012 0.000 0.809 131 L CB -1.020 41.050 42.059 0.018 0.000 0.933 131 L HN 0.328 nan 8.230 nan 0.000 0.449 132 Q N 1.125 120.892 119.800 -0.055 0.000 2.436 132 Q HA 0.241 4.581 4.340 0.000 0.000 0.326 132 Q C 0.857 176.818 176.000 -0.065 0.000 1.079 132 Q CA 1.305 57.045 55.803 -0.105 0.000 1.049 132 Q CB -1.267 27.344 28.738 -0.211 0.000 1.047 132 Q HN 0.605 nan 8.270 nan 0.000 0.386 133 D N 0.385 120.753 120.400 -0.053 0.000 2.954 133 D HA -0.220 4.420 4.640 0.000 0.000 0.200 133 D C 1.112 177.391 176.300 -0.035 0.000 1.022 133 D CA 1.345 55.322 54.000 -0.038 0.000 1.003 133 D CB -2.260 38.515 40.800 -0.042 0.000 1.073 133 D HN 1.531 nan 8.370 nan 0.000 0.438 134 I N 1.042 121.608 120.570 -0.006 0.000 2.113 134 I HA -0.228 3.942 4.170 0.000 0.000 0.242 134 I C 2.450 178.581 176.117 0.023 0.000 1.064 134 I CA 2.821 64.152 61.300 0.051 0.000 1.320 134 I CB 0.098 38.169 38.000 0.117 0.000 1.028 134 I HN 0.564 nan 8.210 nan 0.000 0.406 135 E N 1.378 121.568 120.200 -0.016 0.000 2.533 135 E HA -0.121 4.229 4.350 0.000 0.000 0.201 135 E C 0.992 177.448 176.600 -0.239 0.000 1.097 135 E CA 1.227 57.579 56.400 -0.081 0.000 0.887 135 E CB -0.881 28.802 29.700 -0.029 0.000 0.855 135 E HN 0.557 nan 8.360 nan 0.000 0.540 136 K N 1.684 121.901 120.400 -0.306 0.000 2.861 136 K HA 0.251 4.571 4.320 0.000 0.000 0.210 136 K C 0.178 176.287 176.600 -0.818 0.000 1.112 136 K CA -0.136 55.726 56.287 -0.709 0.000 1.076 136 K CB -0.703 31.777 32.500 -0.033 0.000 0.853 136 K HN 0.156 nan 8.250 nan 0.000 0.463 137 K N 0.882 120.915 120.400 -0.611 0.000 3.689 137 K HA -0.165 4.155 4.320 0.000 0.000 0.276 137 K C 0.539 177.031 176.600 -0.180 0.000 0.932 137 K CA 1.031 57.105 56.287 -0.356 0.000 0.758 137 K CB -1.917 30.331 32.500 -0.419 0.000 1.500 137 K HN 0.740 nan 8.250 nan 0.000 0.448 138 T N -3.378 111.113 114.554 -0.104 0.000 3.054 138 T HA 0.281 4.631 4.350 0.000 0.000 0.255 138 T C 0.393 175.040 174.700 -0.088 0.000 1.035 138 T CA 0.102 62.146 62.100 -0.094 0.000 0.941 138 T CB 0.921 69.732 68.868 -0.095 0.000 1.026 138 T HN 0.183 nan 8.240 nan 0.000 0.533 139 V N 2.347 122.241 119.914 -0.033 0.000 3.000 139 V HA 0.486 4.606 4.120 0.000 0.000 0.300 139 V C -2.825 173.256 176.094 -0.022 0.000 1.251 139 V CA -2.181 60.084 62.300 -0.058 0.000 0.972 139 V CB 2.542 34.305 31.823 -0.101 0.000 1.065 139 V HN 0.038 nan 8.190 nan 0.000 0.431 140 P HA 0.221 nan 4.420 nan 0.000 0.266 140 P C -1.117 176.098 177.300 -0.141 0.000 1.215 140 P CA 0.373 63.451 63.100 -0.037 0.000 0.763 140 P CB 0.091 31.767 31.700 -0.040 0.000 0.806 141 F N 2.103 121.973 119.950 -0.134 0.000 2.432 141 F HA 0.606 5.134 4.527 0.000 0.000 0.329 141 F C 0.931 176.631 175.800 -0.167 0.000 1.076 141 F CA -0.151 57.743 58.000 -0.176 0.000 1.018 141 F CB 1.695 40.564 39.000 -0.218 0.000 1.201 141 F HN 0.389 nan 8.300 nan 0.000 0.489 142 A N 1.495 124.313 122.820 -0.004 0.000 2.443 142 A HA 0.694 5.014 4.320 0.000 0.000 0.278 142 A C -1.751 175.800 177.584 -0.056 0.000 1.252 142 A CA -0.725 51.300 52.037 -0.019 0.000 0.816 142 A CB 0.445 19.471 19.000 0.042 0.000 1.369 142 A HN 0.790 nan 8.150 nan 0.000 0.446 143 W N 0.843 122.184 121.300 0.070 0.000 2.283 143 W HA 0.373 5.033 4.660 0.000 0.000 0.341 143 W C 0.995 177.528 176.519 0.024 0.000 1.206 143 W CA -0.154 57.217 57.345 0.043 0.000 1.294 143 W CB 0.839 30.312 29.460 0.023 0.000 1.154 143 W HN 0.884 nan 8.180 nan 0.000 0.613 144 N N 0.365 119.237 118.700 0.286 0.000 2.366 144 N HA 0.125 4.866 4.740 0.000 0.000 0.277 144 N C 0.802 176.306 175.510 -0.009 0.000 1.275 144 N CA -0.533 52.520 53.050 0.004 0.000 0.964 144 N CB 0.262 38.542 38.487 -0.345 0.000 1.167 144 N HN 0.473 nan 8.380 nan 0.000 0.568 145 F N -2.114 117.914 119.950 0.130 0.000 2.216 145 F HA 0.036 4.563 4.527 0.000 0.000 0.300 145 F C 1.996 177.810 175.800 0.023 0.000 1.085 145 F CA 1.206 59.249 58.000 0.071 0.000 1.326 145 F CB -1.468 37.556 39.000 0.040 0.000 1.027 145 F HN 0.571 nan 8.300 nan 0.000 0.497 146 D N -0.711 119.750 120.400 0.101 0.000 2.349 146 D HA 0.099 4.739 4.640 0.000 0.000 0.215 146 D C 0.790 177.053 176.300 -0.061 0.000 1.016 146 D CA 0.711 54.794 54.000 0.139 0.000 0.870 146 D CB -0.776 40.101 40.800 0.128 0.000 0.917 146 D HN 0.293 nan 8.370 nan 0.000 0.524 147 D N -1.702 118.629 120.400 -0.115 0.000 3.076 147 D HA -0.173 4.468 4.640 0.000 0.000 0.218 147 D C 1.683 177.736 176.300 -0.411 0.000 1.156 147 D CA 1.727 55.462 54.000 -0.442 0.000 0.921 147 D CB -1.874 38.545 40.800 -0.634 0.000 1.113 147 D HN 0.646 nan 8.370 nan 0.000 0.418 148 T N -3.187 111.338 114.554 -0.049 0.000 3.065 148 T HA 0.207 4.557 4.350 0.000 0.000 0.252 148 T C 0.574 175.415 174.700 0.236 0.000 1.099 148 T CA 0.643 62.759 62.100 0.027 0.000 1.063 148 T CB 1.064 69.909 68.868 -0.040 0.000 0.948 148 T HN 0.364 nan 8.240 nan 0.000 0.506 149 E N -0.538 119.914 120.200 0.419 0.000 2.393 149 E HA 0.478 4.828 4.350 0.000 0.000 0.282 149 E C -1.642 175.062 176.600 0.174 0.000 1.096 149 E CA -0.610 55.945 56.400 0.257 0.000 0.866 149 E CB 1.131 30.860 29.700 0.049 0.000 1.232 149 E HN 0.236 nan 8.360 nan 0.000 0.431 150 K N 1.870 122.274 120.400 0.008 0.000 2.110 150 K HA 0.535 4.855 4.320 0.000 0.000 0.263 150 K C -0.507 176.293 176.600 0.334 0.000 0.975 150 K CA -0.278 55.994 56.287 -0.025 0.000 0.895 150 K CB 1.631 33.903 32.500 -0.381 0.000 1.060 150 K HN 0.553 nan 8.250 nan 0.000 0.448 151 E N 1.865 122.242 120.200 0.296 0.000 2.288 151 E HA 0.509 4.859 4.350 0.000 0.000 0.268 151 E C -2.748 173.542 176.600 -0.516 0.000 0.885 151 E CA -2.305 54.099 56.400 0.007 0.000 0.767 151 E CB 2.483 32.258 29.700 0.124 0.000 1.220 151 E HN 0.365 nan 8.360 nan 0.000 0.427 152 P HA 0.100 nan 4.420 nan 0.000 0.278 152 P C 0.263 177.148 177.300 -0.691 0.000 1.238 152 P CA -0.189 62.044 63.100 -1.445 0.000 0.794 152 P CB 1.142 32.100 31.700 -1.236 0.000 0.955 153 T N -0.730 113.517 114.554 -0.511 0.000 3.057 153 T HA 0.220 4.570 4.350 0.000 0.000 0.254 153 T C 0.538 175.082 174.700 -0.258 0.000 1.094 153 T CA 0.237 62.170 62.100 -0.279 0.000 1.088 153 T CB -0.161 68.606 68.868 -0.169 0.000 0.934 153 T HN 0.291 nan 8.240 nan 0.000 0.497 154 V N -0.188 119.548 119.914 -0.297 0.000 3.282 154 V HA 0.518 4.638 4.120 0.000 0.000 0.295 154 V C -1.740 174.221 176.094 -0.223 0.000 1.451 154 V CA -1.431 60.721 62.300 -0.247 0.000 1.062 154 V CB 2.149 33.829 31.823 -0.239 0.000 1.128 154 V HN 0.359 nan 8.190 nan 0.000 0.456 155 L N 3.175 124.299 121.223 -0.165 0.000 2.358 155 L HA 0.499 4.840 4.340 0.000 0.000 0.268 155 L C -1.713 175.166 176.870 0.015 0.000 1.032 155 L CA -1.745 53.034 54.840 -0.102 0.000 0.805 155 L CB 1.627 43.629 42.059 -0.096 0.000 1.253 155 L HN 0.468 nan 8.230 nan 0.000 0.452 156 P HA -0.171 nan 4.420 nan 0.000 0.214 156 P C -0.063 177.284 177.300 0.078 0.000 1.163 156 P CA 1.517 64.629 63.100 0.020 0.000 0.883 156 P CB 0.147 31.829 31.700 -0.029 0.000 0.788 157 A N -2.238 120.602 122.820 0.032 0.000 2.611 157 A HA -0.002 4.318 4.320 0.000 0.000 0.281 157 A C 1.376 179.036 177.584 0.127 0.000 1.396 157 A CA 0.276 52.329 52.037 0.027 0.000 0.724 157 A CB -2.058 16.987 19.000 0.074 0.000 1.126 157 A HN 0.302 nan 8.150 nan 0.000 0.384 158 A N 0.823 123.733 122.820 0.150 0.000 1.978 158 A HA 0.342 4.663 4.320 0.000 0.000 0.220 158 A C 0.833 178.633 177.584 0.360 0.000 1.170 158 A CA 1.968 54.159 52.037 0.257 0.000 0.636 158 A CB -0.425 18.783 19.000 0.347 0.000 0.810 158 A HN 2.122 nan 8.150 nan 0.000 0.448 159 F N -3.853 116.152 119.950 0.093 0.000 2.598 159 F HA 0.726 5.254 4.527 0.000 0.000 0.327 159 F C -3.234 172.467 175.800 -0.164 0.000 1.057 159 F CA -3.836 54.141 58.000 -0.039 0.000 0.957 159 F CB 0.670 39.568 39.000 -0.169 0.000 1.278 159 F HN -0.277 nan 8.300 nan 0.000 0.484 160 P HA 0.162 nan 4.420 nan 0.000 0.226 160 P C 0.192 177.189 177.300 -0.505 0.000 1.783 160 P CA 0.246 62.795 63.100 -0.919 0.000 0.980 160 P CB -0.056 31.080 31.700 -0.940 0.000 1.967 161 N N 1.545 119.830 118.700 -0.693 0.000 2.111 161 N HA -0.231 4.510 4.740 0.000 0.000 0.197 161 N C 1.350 176.732 175.510 -0.212 0.000 1.011 161 N CA 1.438 54.176 53.050 -0.520 0.000 0.880 161 N CB -0.721 37.411 38.487 -0.591 0.000 1.031 161 N HN 0.221 nan 8.380 nan 0.000 0.444 162 L N -0.139 120.959 121.223 -0.207 0.000 1.955 162 L HA -0.187 4.153 4.340 0.000 0.000 0.213 162 L C 2.209 179.046 176.870 -0.055 0.000 1.072 162 L CA 1.437 56.206 54.840 -0.119 0.000 0.755 162 L CB -0.377 41.613 42.059 -0.114 0.000 0.888 162 L HN 0.287 nan 8.230 nan 0.000 0.432 163 L N -1.182 119.995 121.223 -0.077 0.000 2.046 163 L HA -0.215 4.126 4.340 0.000 0.000 0.208 163 L C 2.398 179.355 176.870 0.146 0.000 1.077 163 L CA 0.955 55.802 54.840 0.011 0.000 0.747 163 L CB -0.406 41.521 42.059 -0.219 0.000 0.896 163 L HN 0.176 nan 8.230 nan 0.000 0.432 164 V N -0.159 119.784 119.914 0.048 0.000 2.219 164 V HA -0.312 3.808 4.120 0.000 0.000 0.248 164 V C 1.677 177.808 176.094 0.061 0.000 1.053 164 V CA 2.085 64.439 62.300 0.090 0.000 1.009 164 V CB -0.622 31.307 31.823 0.176 0.000 0.636 164 V HN 0.513 nan 8.190 nan 0.000 0.445 165 N N 0.038 118.769 118.700 0.052 0.000 2.322 165 N HA 0.210 4.951 4.740 0.000 0.000 0.194 165 N C 1.016 176.533 175.510 0.013 0.000 1.126 165 N CA 0.863 53.929 53.050 0.027 0.000 0.845 165 N CB 0.421 38.929 38.487 0.036 0.000 0.976 165 N HN 0.602 nan 8.380 nan 0.000 0.475 166 G N 0.699 109.509 108.800 0.017 0.000 2.622 166 G HA2 -0.229 3.731 3.960 0.000 0.000 0.272 166 G HA3 -0.229 3.731 3.960 0.000 0.000 0.272 166 G C -0.407 174.513 174.900 0.032 0.000 1.308 166 G CA 0.230 45.345 45.100 0.026 0.000 0.919 166 G HN 0.455 nan 8.290 nan 0.000 0.565 167 S N -2.197 113.536 115.700 0.055 0.000 2.714 167 S HA 0.646 5.117 4.470 0.000 0.000 0.297 167 S C -0.555 174.075 174.600 0.049 0.000 0.993 167 S CA 1.090 59.314 58.200 0.039 0.000 0.844 167 S CB 0.911 64.110 63.200 -0.000 0.000 1.043 167 S HN 2.537 nan 8.310 nan 0.000 0.457 168 T N 0.108 114.684 114.554 0.037 0.000 2.923 168 T HA 0.775 5.125 4.350 0.000 0.000 0.311 168 T C 0.097 174.800 174.700 0.006 0.000 1.183 168 T CA 0.234 62.351 62.100 0.028 0.000 1.020 168 T CB 1.313 70.205 68.868 0.040 0.000 1.165 168 T HN 2.044 nan 8.240 nan 0.000 0.482 169 G N 2.091 110.892 108.800 0.002 0.000 2.761 169 G HA2 0.232 4.192 3.960 0.000 0.000 0.230 169 G HA3 0.232 4.192 3.960 0.000 0.000 0.230 169 G C -0.660 174.252 174.900 0.020 0.000 1.659 169 G CA -0.552 44.555 45.100 0.012 0.000 0.998 169 G HN 0.939 nan 8.290 nan 0.000 0.506 170 I N 2.013 122.593 120.570 0.018 0.000 2.534 170 I HA 0.584 4.754 4.170 0.000 0.000 0.286 170 I C 0.086 176.226 176.117 0.037 0.000 1.094 170 I CA -0.674 60.646 61.300 0.033 0.000 1.055 170 I CB 2.051 40.071 38.000 0.032 0.000 1.225 170 I HN 0.335 nan 8.210 nan 0.000 0.435 171 S N 4.447 120.185 115.700 0.063 0.000 2.720 171 S HA 0.827 5.297 4.470 0.000 0.000 0.287 171 S C -0.370 174.296 174.600 0.110 0.000 1.168 171 S CA -0.833 57.405 58.200 0.063 0.000 0.832 171 S CB 1.747 64.971 63.200 0.040 0.000 1.166 171 S HN 0.675 nan 8.310 nan 0.000 0.493 172 A N 0.116 123.004 122.820 0.113 0.000 2.522 172 A HA 0.525 4.845 4.320 0.000 0.000 0.256 172 A C 1.600 179.291 177.584 0.177 0.000 1.086 172 A CA 0.461 52.592 52.037 0.156 0.000 0.763 172 A CB -1.661 17.402 19.000 0.106 0.000 1.024 172 A HN 2.532 nan 8.150 nan 0.000 0.502 173 G N 1.629 110.489 108.800 0.099 0.000 2.435 173 G HA2 -0.314 3.646 3.960 0.000 0.000 0.245 173 G HA3 -0.314 3.646 3.960 0.000 0.000 0.245 173 G C 0.115 174.820 174.900 -0.325 0.000 1.073 173 G CA 1.097 46.139 45.100 -0.097 0.000 0.638 173 G HN 0.963 nan 8.290 nan 0.000 0.521 174 Y N 0.811 121.135 120.300 0.041 0.000 2.485 174 Y HA 0.734 5.284 4.550 0.000 0.000 0.345 174 Y C 0.435 176.347 175.900 0.020 0.000 0.998 174 Y CA -0.351 57.765 58.100 0.027 0.000 1.059 174 Y CB 2.264 40.734 38.460 0.017 0.000 1.234 174 Y HN 0.602 nan 8.280 nan 0.000 0.461 175 A N 0.952 123.870 122.820 0.163 0.000 2.527 175 A HA 0.869 5.189 4.320 0.000 0.000 0.293 175 A C -1.058 176.581 177.584 0.092 0.000 1.117 175 A CA -0.769 51.327 52.037 0.098 0.000 0.723 175 A CB 2.069 21.103 19.000 0.057 0.000 1.313 175 A HN 0.570 nan 8.150 nan 0.000 0.411 176 T N 0.006 114.595 114.554 0.058 0.000 2.933 176 T HA 0.604 4.954 4.350 0.000 0.000 0.305 176 T C -2.070 172.651 174.700 0.035 0.000 1.092 176 T CA -0.287 61.846 62.100 0.054 0.000 1.008 176 T CB 1.136 70.032 68.868 0.046 0.000 1.102 176 T HN 0.629 nan 8.240 nan 0.000 0.469 177 D N 2.381 122.804 120.400 0.037 0.000 2.788 177 D HA 0.590 5.230 4.640 0.000 0.000 0.247 177 D C -1.037 175.306 176.300 0.072 0.000 1.236 177 D CA -0.161 53.862 54.000 0.037 0.000 0.898 177 D CB 1.501 42.263 40.800 -0.063 0.000 1.401 177 D HN 0.370 nan 8.370 nan 0.000 0.549 178 I N 3.436 124.066 120.570 0.100 0.000 2.447 178 I HA 0.354 4.524 4.170 0.000 0.000 0.287 178 I C -2.395 173.737 176.117 0.024 0.000 1.023 178 I CA -2.164 59.180 61.300 0.073 0.000 1.083 178 I CB 2.263 40.316 38.000 0.088 0.000 1.245 178 I HN 0.103 nan 8.210 nan 0.000 0.434 179 P HA 0.251 nan 4.420 nan 0.000 0.275 179 P C -2.567 174.399 177.300 -0.556 0.000 1.227 179 P CA -1.481 61.295 63.100 -0.541 0.000 0.781 179 P CB -0.121 30.952 31.700 -1.046 0.000 0.906 180 P HA 0.136 nan 4.420 nan 0.000 0.269 180 P C -0.741 176.161 177.300 -0.663 0.000 1.217 180 P CA 0.497 63.358 63.100 -0.400 0.000 0.783 180 P CB 0.299 31.801 31.700 -0.329 0.000 0.898 181 H N -1.142 117.832 119.070 -0.160 0.000 2.928 181 H HA 0.317 4.873 4.556 0.000 0.000 0.371 181 H C -0.009 175.265 175.328 -0.090 0.000 1.186 181 H CA -0.793 55.175 56.048 -0.133 0.000 1.134 181 H CB 0.808 30.517 29.762 -0.089 0.000 1.824 181 H HN 0.225 nan 8.280 nan 0.000 0.554 182 N N 2.405 121.137 118.700 0.053 0.000 2.400 182 N HA -0.066 4.674 4.740 0.000 0.000 0.278 182 N C 1.096 176.620 175.510 0.023 0.000 1.247 182 N CA 0.236 53.298 53.050 0.019 0.000 0.970 182 N CB 0.086 38.579 38.487 0.011 0.000 1.312 182 N HN 0.716 nan 8.380 nan 0.000 0.488 183 L N 4.068 125.296 121.223 0.009 0.000 2.082 183 L HA -0.385 3.955 4.340 0.000 0.000 0.223 183 L C 1.932 178.801 176.870 -0.001 0.000 1.086 183 L CA 2.397 57.233 54.840 -0.006 0.000 0.793 183 L CB -0.445 41.572 42.059 -0.069 0.000 0.896 183 L HN 0.645 nan 8.230 nan 0.000 0.441 184 A N -0.366 122.458 122.820 0.007 0.000 1.834 184 A HA -0.303 4.018 4.320 0.000 0.000 0.216 184 A C 1.978 179.587 177.584 0.040 0.000 1.203 184 A CA 2.116 54.167 52.037 0.024 0.000 0.621 184 A CB -0.932 18.084 19.000 0.025 0.000 0.841 184 A HN 0.663 nan 8.150 nan 0.000 0.446 185 E N -0.406 119.822 120.200 0.046 0.000 2.114 185 E HA -0.188 4.162 4.350 0.000 0.000 0.199 185 E C 1.969 178.594 176.600 0.041 0.000 1.008 185 E CA 1.451 57.892 56.400 0.068 0.000 0.810 185 E CB -0.552 29.183 29.700 0.057 0.000 0.739 185 E HN 0.375 nan 8.360 nan 0.000 0.456 186 V N 1.924 121.835 119.914 -0.005 0.000 2.255 186 V HA -0.286 3.834 4.120 0.000 0.000 0.247 186 V C 2.337 178.387 176.094 -0.072 0.000 1.051 186 V CA 1.837 64.094 62.300 -0.072 0.000 1.018 186 V CB -0.471 31.297 31.823 -0.091 0.000 0.641 186 V HN 0.289 nan 8.190 nan 0.000 0.445 187 I N -0.104 120.443 120.570 -0.038 0.000 2.208 187 I HA -0.252 3.918 4.170 0.000 0.000 0.245 187 I C 2.320 178.418 176.117 -0.031 0.000 1.097 187 I CA 1.654 62.938 61.300 -0.026 0.000 1.363 187 I CB -0.786 37.221 38.000 0.012 0.000 1.051 187 I HN 0.334 nan 8.210 nan 0.000 0.413 188 D N 1.422 121.824 120.400 0.003 0.000 2.126 188 D HA -0.210 4.430 4.640 0.000 0.000 0.190 188 D C 2.269 178.369 176.300 -0.333 0.000 1.001 188 D CA 1.901 55.888 54.000 -0.022 0.000 0.841 188 D CB -0.224 40.760 40.800 0.306 0.000 0.949 188 D HN 0.378 nan 8.370 nan 0.000 0.446 189 A N 1.014 123.716 122.820 -0.197 0.000 1.865 189 A HA -0.107 4.213 4.320 0.000 0.000 0.217 189 A C 2.357 179.830 177.584 -0.184 0.000 1.191 189 A CA 2.793 54.681 52.037 -0.249 0.000 0.623 189 A CB -0.990 17.941 19.000 -0.114 0.000 0.826 189 A HN 0.257 nan 8.150 nan 0.000 0.444 190 A N -0.422 122.333 122.820 -0.108 0.000 1.873 190 A HA -0.102 4.218 4.320 0.000 0.000 0.218 190 A C 2.264 179.841 177.584 -0.012 0.000 1.193 190 A CA 2.312 54.333 52.037 -0.027 0.000 0.629 190 A CB -1.248 17.759 19.000 0.011 0.000 0.826 190 A HN 0.568 nan 8.150 nan 0.000 0.447 191 V N -1.458 118.428 119.914 -0.048 0.000 2.255 191 V HA -0.317 3.803 4.120 0.000 0.000 0.247 191 V C 2.372 178.421 176.094 -0.075 0.000 1.051 191 V CA 2.253 64.529 62.300 -0.041 0.000 1.018 191 V CB -1.324 30.471 31.823 -0.047 0.000 0.641 191 V HN 0.666 nan 8.190 nan 0.000 0.445 192 Y N 0.203 120.302 120.300 -0.335 0.000 2.081 192 Y HA -0.303 4.247 4.550 0.000 0.000 0.280 192 Y C 2.609 178.442 175.900 -0.112 0.000 1.163 192 Y CA 2.069 59.968 58.100 -0.334 0.000 1.135 192 Y CB -0.327 37.692 38.460 -0.736 0.000 0.970 192 Y HN 0.099 nan 8.280 nan 0.000 0.498 193 M N -0.636 119.052 119.600 0.146 0.000 2.149 193 M HA -0.259 4.221 4.480 0.000 0.000 0.261 193 M C 2.107 178.417 176.300 0.017 0.000 1.064 193 M CA 1.890 57.263 55.300 0.122 0.000 1.102 193 M CB -0.467 32.177 32.600 0.074 0.000 1.369 193 M HN 0.364 nan 8.290 nan 0.000 0.408 194 I N 0.700 121.267 120.570 -0.004 0.000 2.208 194 I HA -0.298 3.873 4.170 0.000 0.000 0.245 194 I C 2.521 178.548 176.117 -0.149 0.000 1.097 194 I CA 2.055 63.335 61.300 -0.034 0.000 1.363 194 I CB -1.134 36.891 38.000 0.042 0.000 1.051 194 I HN 0.453 nan 8.210 nan 0.000 0.413 195 D N -0.176 120.139 120.400 -0.142 0.000 2.106 195 D HA -0.127 4.513 4.640 0.000 0.000 0.203 195 D C 1.006 177.080 176.300 -0.378 0.000 0.977 195 D CA 1.019 54.867 54.000 -0.253 0.000 0.844 195 D CB -0.658 40.012 40.800 -0.217 0.000 1.002 195 D HN 0.516 nan 8.370 nan 0.000 0.461 196 H N 0.052 118.888 119.070 -0.390 0.000 2.508 196 H HA 0.378 4.934 4.556 0.000 0.000 0.224 196 H C -1.841 173.445 175.328 -0.069 0.000 1.723 196 H CA -2.458 53.452 56.048 -0.231 0.000 1.251 196 H CB 0.650 30.263 29.762 -0.249 0.000 1.627 196 H HN 0.234 nan 8.280 nan 0.000 0.543 197 P HA -0.173 nan 4.420 nan 0.000 0.216 197 P C 1.081 178.408 177.300 0.044 0.000 1.154 197 P CA 1.714 64.816 63.100 0.003 0.000 0.865 197 P CB 0.049 31.711 31.700 -0.063 0.000 0.789 198 T N -2.539 112.042 114.554 0.045 0.000 3.829 198 T HA 0.318 4.668 4.350 0.000 0.000 0.251 198 T C 0.676 175.429 174.700 0.088 0.000 1.030 198 T CA -0.162 61.970 62.100 0.052 0.000 0.954 198 T CB -1.240 67.651 68.868 0.037 0.000 1.120 198 T HN 0.071 nan 8.240 nan 0.000 0.633 199 A N 0.823 123.712 122.820 0.114 0.000 2.409 199 A HA 0.614 4.934 4.320 0.000 0.000 0.262 199 A C 0.731 178.353 177.584 0.063 0.000 1.113 199 A CA -0.694 51.426 52.037 0.139 0.000 0.790 199 A CB -0.042 19.078 19.000 0.199 0.000 1.046 199 A HN 0.793 nan 8.150 nan 0.000 0.496 200 K N 2.044 122.470 120.400 0.044 0.000 2.185 200 K HA 0.498 4.818 4.320 0.000 0.000 0.271 200 K C 0.947 177.543 176.600 -0.006 0.000 1.013 200 K CA -0.124 56.173 56.287 0.017 0.000 0.943 200 K CB 0.136 32.646 32.500 0.015 0.000 0.998 200 K HN 0.681 nan 8.250 nan 0.000 0.468 201 I N 0.729 121.298 120.570 -0.001 0.000 2.151 201 I HA -0.296 3.874 4.170 0.000 0.000 0.243 201 I C 1.471 177.584 176.117 -0.007 0.000 1.080 201 I CA 1.696 62.995 61.300 -0.001 0.000 1.339 201 I CB -0.019 37.997 38.000 0.026 0.000 1.039 201 I HN 0.797 nan 8.210 nan 0.000 0.409 202 D N 1.208 121.603 120.400 -0.010 0.000 2.133 202 D HA -0.245 4.395 4.640 0.000 0.000 0.192 202 D C 2.321 178.592 176.300 -0.048 0.000 1.001 202 D CA 2.237 56.225 54.000 -0.020 0.000 0.844 202 D CB -0.261 40.527 40.800 -0.020 0.000 0.944 202 D HN 0.386 nan 8.370 nan 0.000 0.447 203 K N 0.841 121.197 120.400 -0.074 0.000 2.057 203 K HA -0.007 4.314 4.320 0.000 0.000 0.206 203 K C 2.393 178.915 176.600 -0.130 0.000 1.050 203 K CA 0.785 56.987 56.287 -0.142 0.000 0.935 203 K CB -1.133 31.239 32.500 -0.213 0.000 0.715 203 K HN 0.190 nan 8.250 nan 0.000 0.439 204 L N 0.171 121.333 121.223 -0.102 0.000 2.079 204 L HA -0.191 4.150 4.340 0.000 0.000 0.210 204 L C 2.925 179.807 176.870 0.020 0.000 1.081 204 L CA 1.132 55.944 54.840 -0.047 0.000 0.752 204 L CB -0.445 41.568 42.059 -0.077 0.000 0.896 204 L HN 0.373 nan 8.230 nan 0.000 0.433 205 M N -0.315 119.287 119.600 0.003 0.000 2.149 205 M HA -0.214 4.266 4.480 0.000 0.000 0.261 205 M C 2.654 178.945 176.300 -0.016 0.000 1.064 205 M CA 2.222 57.544 55.300 0.036 0.000 1.102 205 M CB -1.171 31.454 32.600 0.041 0.000 1.369 205 M HN 0.427 nan 8.290 nan 0.000 0.408 206 E N 0.278 120.421 120.200 -0.094 0.000 2.130 206 E HA -0.203 4.147 4.350 0.000 0.000 0.196 206 E C 1.618 178.003 176.600 -0.358 0.000 0.998 206 E CA 1.733 57.986 56.400 -0.244 0.000 0.806 206 E CB -1.081 28.402 29.700 -0.361 0.000 0.738 206 E HN 0.533 nan 8.360 nan 0.000 0.459 207 F N -0.046 119.835 119.950 -0.115 0.000 2.085 207 F HA 0.361 4.888 4.527 0.000 0.000 0.284 207 F C 2.038 177.801 175.800 -0.061 0.000 1.127 207 F CA 0.954 58.903 58.000 -0.085 0.000 1.164 207 F CB -0.491 38.449 39.000 -0.100 0.000 1.035 207 F HN 0.249 nan 8.300 nan 0.000 0.481 208 L N 1.526 122.823 121.223 0.124 0.000 2.385 208 L HA 0.373 4.713 4.340 0.000 0.000 0.285 208 L C -2.151 174.786 176.870 0.113 0.000 1.125 208 L CA -1.254 53.609 54.840 0.039 0.000 0.890 208 L CB -1.273 40.704 42.059 -0.137 0.000 1.251 208 L HN -0.050 nan 8.230 nan 0.000 0.445 209 P HA 0.298 nan 4.420 nan 0.000 0.249 209 P C 0.742 178.147 177.300 0.174 0.000 1.229 209 P CA 0.900 64.070 63.100 0.117 0.000 0.788 209 P CB 0.432 32.153 31.700 0.035 0.000 1.072 210 G N -0.942 108.048 108.800 0.316 0.000 2.339 210 G HA2 0.065 4.026 3.960 0.000 0.000 0.381 210 G HA3 0.065 4.026 3.960 0.000 0.000 0.381 210 G C -3.409 171.617 174.900 0.210 0.000 1.400 210 G CA -1.056 44.196 45.100 0.253 0.000 1.002 210 G HN -0.346 nan 8.290 nan 0.000 0.633 211 P HA 0.282 nan 4.420 nan 0.000 0.266 211 P C -0.856 176.109 177.300 -0.560 0.000 1.195 211 P CA 0.188 62.942 63.100 -0.578 0.000 0.768 211 P CB 0.687 31.793 31.700 -0.990 0.000 0.838 212 D N 2.267 122.330 120.400 -0.561 0.000 2.414 212 D HA 0.306 4.946 4.640 0.000 0.000 0.232 212 D C -0.900 175.114 176.300 -0.476 0.000 1.070 212 D CA -0.418 53.349 54.000 -0.389 0.000 0.839 212 D CB 0.024 40.725 40.800 -0.165 0.000 1.079 212 D HN -0.005 nan 8.370 nan 0.000 0.521 213 F N 3.661 123.452 119.950 -0.264 0.000 2.375 213 F HA 0.305 4.832 4.527 0.000 0.000 0.333 213 F C -1.043 174.681 175.800 -0.127 0.000 1.104 213 F CA -2.270 55.545 58.000 -0.308 0.000 1.149 213 F CB 1.006 39.853 39.000 -0.255 0.000 1.190 213 F HN 0.301 nan 8.300 nan 0.000 0.533 214 P HA -0.068 nan 4.420 nan 0.000 0.225 214 P C 0.974 178.383 177.300 0.182 0.000 1.156 214 P CA 1.144 64.332 63.100 0.148 0.000 0.787 214 P CB -0.062 31.741 31.700 0.171 0.000 0.802 215 T N -4.201 110.491 114.554 0.230 0.000 3.278 215 T HA 0.477 4.827 4.350 0.000 0.000 0.251 215 T C 1.242 176.020 174.700 0.130 0.000 1.039 215 T CA 0.113 62.319 62.100 0.177 0.000 0.935 215 T CB -1.006 67.964 68.868 0.171 0.000 1.034 215 T HN 0.231 nan 8.240 nan 0.000 0.575 216 G N 1.986 110.866 108.800 0.133 0.000 2.634 216 G HA2 0.107 4.067 3.960 0.000 0.000 0.318 216 G HA3 0.107 4.067 3.960 0.000 0.000 0.318 216 G C 0.389 175.364 174.900 0.126 0.000 1.207 216 G CA 0.963 46.125 45.100 0.103 0.000 0.987 216 G HN 2.111 nan 8.290 nan 0.000 0.547 217 A N -2.363 120.506 122.820 0.082 0.000 2.974 217 A HA 0.170 4.490 4.320 0.000 0.000 0.664 217 A C -0.090 177.536 177.584 0.071 0.000 0.453 217 A CA 0.892 52.971 52.037 0.070 0.000 0.176 217 A CB -1.282 17.764 19.000 0.077 0.000 3.841 217 A HN 2.043 nan 8.150 nan 0.000 0.538 218 I N -0.061 120.537 120.570 0.048 0.000 2.404 218 I HA 0.585 4.755 4.170 0.000 0.000 0.293 218 I C -0.091 176.057 176.117 0.051 0.000 0.992 218 I CA -0.375 60.950 61.300 0.041 0.000 1.149 218 I CB 1.604 39.620 38.000 0.027 0.000 1.315 218 I HN 0.517 nan 8.210 nan 0.000 0.446 219 I N 5.541 126.139 120.570 0.048 0.000 2.406 219 I HA 0.496 4.666 4.170 0.000 0.000 0.290 219 I C 0.073 176.205 176.117 0.025 0.000 0.999 219 I CA -0.244 61.088 61.300 0.054 0.000 1.124 219 I CB 1.757 39.772 38.000 0.026 0.000 1.289 219 I HN 0.697 nan 8.210 nan 0.000 0.441 220 Q N 3.993 123.811 119.800 0.031 0.000 2.310 220 Q HA 0.681 5.022 4.340 0.000 0.000 0.270 220 Q C -0.054 175.953 176.000 0.011 0.000 1.025 220 Q CA -0.355 55.458 55.803 0.017 0.000 0.772 220 Q CB 1.936 30.689 28.738 0.024 0.000 1.253 220 Q HN 1.046 nan 8.270 nan 0.000 0.450 221 G N -0.170 108.622 108.800 -0.014 0.000 2.761 221 G HA2 0.441 4.401 3.960 0.000 0.000 0.230 221 G HA3 0.441 4.401 3.960 0.000 0.000 0.230 221 G C 0.704 175.560 174.900 -0.073 0.000 1.659 221 G CA 0.813 45.895 45.100 -0.031 0.000 0.998 221 G HN 1.471 nan 8.290 nan 0.000 0.506 222 R N -0.429 120.030 120.500 -0.067 0.000 2.119 222 R HA -0.062 4.278 4.340 0.000 0.000 0.246 222 R C 2.231 178.466 176.300 -0.107 0.000 1.146 222 R CA 3.303 59.350 56.100 -0.089 0.000 0.962 222 R CB -1.816 28.448 30.300 -0.060 0.000 0.863 222 R HN 1.359 nan 8.270 nan 0.000 0.442 223 D N -0.741 119.612 120.400 -0.079 0.000 2.088 223 D HA -0.119 4.521 4.640 0.000 0.000 0.191 223 D C 2.362 178.597 176.300 -0.108 0.000 0.992 223 D CA 3.004 56.959 54.000 -0.075 0.000 0.831 223 D CB -0.918 39.853 40.800 -0.048 0.000 0.973 223 D HN 0.767 nan 8.370 nan 0.000 0.447 224 E N 0.040 120.174 120.200 -0.111 0.000 2.153 224 E HA -0.027 4.323 4.350 0.000 0.000 0.194 224 E C 2.136 178.567 176.600 -0.281 0.000 0.988 224 E CA 1.042 57.355 56.400 -0.144 0.000 0.811 224 E CB -0.676 28.969 29.700 -0.091 0.000 0.746 224 E HN 0.733 nan 8.360 nan 0.000 0.466 225 I N 0.672 121.039 120.570 -0.338 0.000 2.127 225 I HA -0.267 3.903 4.170 0.000 0.000 0.241 225 I C 3.270 179.022 176.117 -0.608 0.000 1.075 225 I CA 2.229 63.165 61.300 -0.607 0.000 1.334 225 I CB -0.698 36.995 38.000 -0.511 0.000 1.040 225 I HN 0.491 nan 8.210 nan 0.000 0.405 226 K N 1.313 121.517 120.400 -0.325 0.000 2.044 226 K HA -0.270 4.050 4.320 0.000 0.000 0.210 226 K C 2.432 178.951 176.600 -0.135 0.000 1.049 226 K CA 2.424 58.611 56.287 -0.166 0.000 0.927 226 K CB -1.564 30.887 32.500 -0.082 0.000 0.713 226 K HN 0.491 nan 8.250 nan 0.000 0.443 227 K N 0.458 120.764 120.400 -0.157 0.000 2.063 227 K HA 0.196 4.516 4.320 0.000 0.000 0.208 227 K C 2.723 179.251 176.600 -0.120 0.000 1.048 227 K CA 2.015 58.238 56.287 -0.107 0.000 0.928 227 K CB -1.350 31.093 32.500 -0.096 0.000 0.713 227 K HN 0.867 nan 8.250 nan 0.000 0.442 228 A N 0.052 122.703 122.820 -0.281 0.000 1.865 228 A HA -0.063 4.257 4.320 0.000 0.000 0.217 228 A C 2.356 179.923 177.584 -0.028 0.000 1.191 228 A CA 1.722 53.572 52.037 -0.311 0.000 0.623 228 A CB -0.659 17.681 19.000 -1.101 0.000 0.826 228 A HN 0.614 nan 8.150 nan 0.000 0.444 229 Y N -0.043 120.157 120.300 -0.166 0.000 2.274 229 Y HA -0.052 4.499 4.550 0.000 0.000 0.290 229 Y C 3.034 178.911 175.900 -0.037 0.000 1.145 229 Y CA 1.108 59.169 58.100 -0.066 0.000 1.203 229 Y CB -1.196 37.219 38.460 -0.075 0.000 0.984 229 Y HN 0.590 nan 8.280 nan 0.000 0.533 230 E N 0.112 120.377 120.200 0.110 0.000 2.005 230 E HA -0.154 4.196 4.350 0.000 0.000 0.191 230 E C 2.209 178.841 176.600 0.054 0.000 0.987 230 E CA 2.151 58.587 56.400 0.060 0.000 0.814 230 E CB -1.388 28.329 29.700 0.029 0.000 0.772 230 E HN 0.499 nan 8.360 nan 0.000 0.453 231 T N -4.381 110.199 114.554 0.044 0.000 2.896 231 T HA 0.354 4.704 4.350 0.000 0.000 0.263 231 T C 1.960 176.705 174.700 0.076 0.000 1.050 231 T CA 1.796 63.925 62.100 0.049 0.000 1.140 231 T CB 0.264 69.153 68.868 0.036 0.000 0.877 231 T HN 1.596 nan 8.240 nan 0.000 0.457 232 G N 0.600 109.461 108.800 0.102 0.000 2.211 232 G HA2 -0.130 3.830 3.960 0.000 0.000 0.201 232 G HA3 -0.130 3.830 3.960 0.000 0.000 0.201 232 G C -0.077 174.934 174.900 0.185 0.000 0.997 232 G CA -0.082 45.111 45.100 0.154 0.000 0.652 232 G HN 0.704 nan 8.290 nan 0.000 0.500 233 K N -0.005 120.472 120.400 0.128 0.000 2.371 233 K HA 0.666 4.987 4.320 0.000 0.000 0.251 233 K C -0.070 176.572 176.600 0.069 0.000 0.934 233 K CA -0.102 56.268 56.287 0.139 0.000 0.798 233 K CB 2.211 34.769 32.500 0.097 0.000 1.204 233 K HN 0.645 nan 8.250 nan 0.000 0.427 234 G N -0.228 108.641 108.800 0.116 0.000 2.601 234 G HA2 0.627 4.587 3.960 0.000 0.000 0.291 234 G HA3 0.627 4.587 3.960 0.000 0.000 0.291 234 G C -1.854 173.128 174.900 0.136 0.000 1.456 234 G CA -0.788 44.313 45.100 0.002 0.000 0.804 234 G HN 0.596 nan 8.290 nan 0.000 0.499 235 R N -0.707 119.839 120.500 0.077 0.000 2.561 235 R HA 0.922 5.262 4.340 0.000 0.000 0.297 235 R C -1.199 175.176 176.300 0.125 0.000 0.969 235 R CA -0.564 55.619 56.100 0.139 0.000 0.879 235 R CB 1.795 32.144 30.300 0.082 0.000 1.178 235 R HN 1.155 nan 8.270 nan 0.000 0.445 236 V N 1.586 121.635 119.914 0.225 0.000 3.001 236 V HA 0.724 4.844 4.120 0.000 0.000 0.314 236 V C -0.387 175.808 176.094 0.168 0.000 1.099 236 V CA -0.859 61.556 62.300 0.192 0.000 0.989 236 V CB 2.516 34.525 31.823 0.310 0.000 1.040 236 V HN 0.704 nan 8.190 nan 0.000 0.434 237 V N 2.923 122.904 119.914 0.111 0.000 2.483 237 V HA 0.589 4.709 4.120 0.000 0.000 0.295 237 V C -0.527 175.615 176.094 0.080 0.000 1.035 237 V CA -0.539 61.808 62.300 0.078 0.000 0.896 237 V CB 1.777 33.624 31.823 0.040 0.000 0.986 237 V HN 0.556 nan 8.190 nan 0.000 0.447 238 V N 4.143 124.086 119.914 0.049 0.000 2.483 238 V HA 0.824 4.944 4.120 0.000 0.000 0.297 238 V C 0.250 176.285 176.094 -0.098 0.000 1.027 238 V CA -0.555 61.763 62.300 0.030 0.000 0.855 238 V CB 1.568 33.426 31.823 0.058 0.000 0.995 238 V HN 1.022 nan 8.190 nan 0.000 0.424 239 R N 2.357 122.780 120.500 -0.127 0.000 2.480 239 R HA 0.765 5.106 4.340 0.000 0.000 0.306 239 R C 0.334 176.517 176.300 -0.195 0.000 0.958 239 R CA -0.119 55.798 56.100 -0.305 0.000 0.861 239 R CB 1.165 31.242 30.300 -0.372 0.000 1.171 239 R HN 1.024 nan 8.270 nan 0.000 0.445 240 S N 0.299 115.860 115.700 -0.231 0.000 2.559 240 S HA 0.421 4.892 4.470 0.000 0.000 0.282 240 S C 0.641 175.236 174.600 -0.009 0.000 1.336 240 S CA 0.164 58.310 58.200 -0.090 0.000 1.037 240 S CB 0.372 63.532 63.200 -0.066 0.000 0.853 240 S HN 1.243 nan 8.310 nan 0.000 0.523 241 K N 0.077 120.492 120.400 0.026 0.000 2.234 241 K HA 0.639 4.960 4.320 0.000 0.000 0.277 241 K C 0.117 176.760 176.600 0.071 0.000 1.038 241 K CA -0.083 56.236 56.287 0.053 0.000 0.888 241 K CB -0.029 32.495 32.500 0.040 0.000 1.091 241 K HN 1.169 nan 8.250 nan 0.000 0.467 242 T N 0.595 115.209 114.554 0.099 0.000 2.859 242 T HA 0.725 5.076 4.350 0.000 0.000 0.281 242 T C 0.165 174.903 174.700 0.063 0.000 1.005 242 T CA 0.106 62.266 62.100 0.099 0.000 1.025 242 T CB 0.657 69.615 68.868 0.150 0.000 0.977 242 T HN 1.055 nan 8.240 nan 0.000 0.458 243 E N -0.111 120.117 120.200 0.046 0.000 2.288 243 E HA 0.828 5.178 4.350 0.000 0.000 0.268 243 E C -0.654 175.960 176.600 0.024 0.000 0.885 243 E CA -0.357 56.062 56.400 0.031 0.000 0.767 243 E CB 1.218 30.933 29.700 0.026 0.000 1.220 243 E HN 1.796 nan 8.360 nan 0.000 0.427 244 I N 1.019 121.599 120.570 0.016 0.000 2.389 244 I HA 0.792 4.962 4.170 0.000 0.000 0.288 244 I C -0.093 176.028 176.117 0.008 0.000 0.999 244 I CA -0.790 60.516 61.300 0.010 0.000 1.129 244 I CB 0.807 38.810 38.000 0.005 0.000 1.288 244 I HN 0.692 nan 8.210 nan 0.000 0.444 245 E N 4.021 124.226 120.200 0.007 0.000 2.227 245 E HA 0.794 5.145 4.350 0.000 0.000 0.268 245 E C 0.009 176.611 176.600 0.003 0.000 0.907 245 E CA -0.425 55.978 56.400 0.006 0.000 0.786 245 E CB 2.034 31.738 29.700 0.006 0.000 1.191 245 E HN 0.950 nan 8.360 nan 0.000 0.411 254 I N 3.712 124.288 120.570 0.010 0.000 2.339 254 I HA 0.546 4.716 4.170 0.000 0.000 0.290 254 I C -0.415 175.715 176.117 0.021 0.000 0.994 254 I CA -1.278 60.032 61.300 0.017 0.000 1.191 254 I CB 1.434 39.447 38.000 0.021 0.000 1.343 254 I HN 0.357 nan 8.210 nan 0.000 0.458 255 V N 6.784 126.712 119.914 0.024 0.000 2.398 255 V HA 0.497 4.617 4.120 0.000 0.000 0.286 255 V C 0.112 176.224 176.094 0.031 0.000 1.026 255 V CA -0.536 61.778 62.300 0.022 0.000 0.868 255 V CB 1.854 33.688 31.823 0.017 0.000 0.982 255 V HN 0.496 nan 8.190 nan 0.000 0.443 256 I N 4.313 124.899 120.570 0.027 0.000 2.378 256 I HA 0.478 4.648 4.170 0.000 0.000 0.291 256 I C 0.676 176.804 176.117 0.018 0.000 0.992 256 I CA -0.228 61.091 61.300 0.031 0.000 1.154 256 I CB 1.982 40.001 38.000 0.031 0.000 1.315 256 I HN 0.788 nan 8.210 nan 0.000 0.448 257 T N -0.263 114.303 114.554 0.021 0.000 3.275 257 T HA 0.463 4.814 4.350 0.000 0.000 0.298 257 T C 0.011 174.720 174.700 0.016 0.000 0.988 257 T CA 0.083 62.192 62.100 0.015 0.000 0.936 257 T CB 0.226 69.106 68.868 0.019 0.000 1.159 257 T HN 0.791 nan 8.240 nan 0.000 0.519 258 E N 0.876 121.084 120.200 0.014 0.000 2.422 258 E HA 0.672 5.022 4.350 0.000 0.000 0.289 258 E C -1.073 175.526 176.600 -0.002 0.000 0.985 258 E CA -0.874 55.534 56.400 0.014 0.000 0.812 258 E CB 0.802 30.518 29.700 0.027 0.000 1.226 258 E HN 0.837 nan 8.360 nan 0.000 0.419 259 I N -2.138 118.424 120.570 -0.013 0.000 3.206 259 I HA 0.922 5.093 4.170 0.000 0.000 0.313 259 I C -2.656 173.431 176.117 -0.051 0.000 1.103 259 I CA -3.211 58.064 61.300 -0.040 0.000 0.985 259 I CB 2.508 40.476 38.000 -0.053 0.000 1.240 259 I HN 0.251 nan 8.210 nan 0.000 0.464 260 P HA 0.101 nan 4.420 nan 0.000 0.276 260 P C -0.927 176.281 177.300 -0.154 0.000 1.235 260 P CA 0.149 63.172 63.100 -0.128 0.000 0.772 260 P CB 0.123 31.750 31.700 -0.123 0.000 0.871 261 Y N 3.506 123.516 120.300 -0.485 0.000 3.149 261 Y HA -0.288 4.262 4.550 0.000 0.000 0.347 261 Y C 1.528 177.272 175.900 -0.260 0.000 1.272 261 Y CA 1.197 58.992 58.100 -0.508 0.000 1.539 261 Y CB -0.245 37.446 38.460 -1.282 0.000 1.244 261 Y HN 0.686 nan 8.280 nan 0.000 0.636 262 E N 1.132 120.880 120.200 -0.754 0.000 3.065 262 E HA -0.288 4.062 4.350 0.000 0.000 0.277 262 E C -0.624 175.840 176.600 -0.227 0.000 1.008 262 E CA 0.591 56.675 56.400 -0.527 0.000 0.864 262 E CB -0.842 28.576 29.700 -0.470 0.000 1.439 262 E HN 0.310 nan 8.360 nan 0.000 0.445 263 I N 1.205 121.673 120.570 -0.171 0.000 2.562 263 I HA 0.182 4.352 4.170 0.000 0.000 0.301 263 I C 0.222 176.276 176.117 -0.105 0.000 1.003 263 I CA -0.525 60.706 61.300 -0.116 0.000 1.127 263 I CB 1.653 39.590 38.000 -0.105 0.000 1.304 263 I HN -0.042 nan 8.210 nan 0.000 0.446 264 N N 6.402 125.048 118.700 -0.091 0.000 2.719 264 N HA 0.023 4.763 4.740 0.000 0.000 0.243 264 N C 1.024 176.473 175.510 -0.101 0.000 1.104 264 N CA -0.027 52.965 53.050 -0.097 0.000 0.981 264 N CB 0.474 38.917 38.487 -0.073 0.000 1.290 264 N HN 0.605 nan 8.380 nan 0.000 0.513 265 K N 2.647 122.972 120.400 -0.126 0.000 2.117 265 K HA -0.315 4.005 4.320 0.000 0.000 0.215 265 K C 1.553 178.100 176.600 -0.088 0.000 1.053 265 K CA 2.140 58.361 56.287 -0.110 0.000 0.935 265 K CB -0.012 32.403 32.500 -0.141 0.000 0.719 265 K HN 0.548 nan 8.250 nan 0.000 0.460 266 A N 1.199 123.963 122.820 -0.094 0.000 1.834 266 A HA -0.260 4.060 4.320 0.000 0.000 0.216 266 A C 1.748 179.301 177.584 -0.052 0.000 1.203 266 A CA 2.220 54.214 52.037 -0.071 0.000 0.621 266 A CB -1.117 17.841 19.000 -0.071 0.000 0.841 266 A HN 0.686 nan 8.150 nan 0.000 0.446 267 N N 0.305 118.976 118.700 -0.049 0.000 2.149 267 N HA -0.128 4.612 4.740 0.000 0.000 0.188 267 N C 1.758 177.247 175.510 -0.035 0.000 1.019 267 N CA 1.050 54.078 53.050 -0.037 0.000 0.857 267 N CB -0.297 38.169 38.487 -0.035 0.000 0.997 267 N HN 0.407 nan 8.380 nan 0.000 0.426 268 L N 1.480 122.677 121.223 -0.043 0.000 2.013 268 L HA -0.175 4.165 4.340 0.000 0.000 0.212 268 L C 2.002 178.856 176.870 -0.026 0.000 1.073 268 L CA 1.715 56.532 54.840 -0.038 0.000 0.753 268 L CB -0.672 41.358 42.059 -0.048 0.000 0.890 268 L HN 0.102 nan 8.230 nan 0.000 0.432 269 V N 0.862 120.759 119.914 -0.029 0.000 2.287 269 V HA -0.321 3.799 4.120 0.000 0.000 0.248 269 V C 3.266 179.352 176.094 -0.012 0.000 1.053 269 V CA 2.688 64.976 62.300 -0.019 0.000 1.027 269 V CB -0.960 30.848 31.823 -0.025 0.000 0.646 269 V HN 0.646 nan 8.190 nan 0.000 0.447 270 K N 0.195 120.586 120.400 -0.016 0.000 2.063 270 K HA -0.254 4.067 4.320 0.000 0.000 0.208 270 K C 2.300 178.898 176.600 -0.003 0.000 1.048 270 K CA 2.428 58.709 56.287 -0.009 0.000 0.928 270 K CB -1.283 31.210 32.500 -0.012 0.000 0.713 270 K HN 0.622 nan 8.250 nan 0.000 0.442 271 K N 0.757 121.153 120.400 -0.007 0.000 2.103 271 K HA 0.082 4.402 4.320 0.000 0.000 0.207 271 K C 2.271 178.876 176.600 0.007 0.000 1.048 271 K CA 1.518 57.803 56.287 -0.003 0.000 0.930 271 K CB -0.683 31.809 32.500 -0.013 0.000 0.716 271 K HN 0.543 nan 8.250 nan 0.000 0.444 272 I N 0.857 121.432 120.570 0.008 0.000 2.163 272 I HA -0.247 3.923 4.170 0.000 0.000 0.240 272 I C 2.660 178.795 176.117 0.029 0.000 1.081 272 I CA 1.700 63.014 61.300 0.022 0.000 1.353 272 I CB -0.081 37.931 38.000 0.021 0.000 1.054 272 I HN 0.519 nan 8.210 nan 0.000 0.407 273 D N 1.055 121.467 120.400 0.018 0.000 2.178 273 D HA -0.212 4.428 4.640 0.000 0.000 0.201 273 D C 1.774 178.087 176.300 0.022 0.000 0.980 273 D CA 1.692 55.703 54.000 0.018 0.000 0.842 273 D CB 0.082 40.887 40.800 0.009 0.000 0.948 273 D HN 0.460 nan 8.370 nan 0.000 0.472 274 D N 0.253 120.666 120.400 0.021 0.000 2.182 274 D HA -0.130 4.510 4.640 0.000 0.000 0.201 274 D C 2.303 178.627 176.300 0.040 0.000 0.986 274 D CA 1.224 55.239 54.000 0.024 0.000 0.847 274 D CB -0.727 40.084 40.800 0.019 0.000 0.942 274 D HN 0.117 nan 8.370 nan 0.000 0.467 275 V N 0.200 120.148 119.914 0.057 0.000 2.287 275 V HA -0.239 3.882 4.120 0.000 0.000 0.248 275 V C 2.635 178.771 176.094 0.069 0.000 1.053 275 V CA 2.342 64.699 62.300 0.094 0.000 1.027 275 V CB -0.427 31.476 31.823 0.133 0.000 0.646 275 V HN 0.558 nan 8.190 nan 0.000 0.447 276 R N -0.431 120.098 120.500 0.049 0.000 2.070 276 R HA -0.149 4.191 4.340 0.000 0.000 0.232 276 R C 2.237 178.550 176.300 0.020 0.000 1.138 276 R CA 2.187 58.305 56.100 0.030 0.000 0.936 276 R CB -0.507 29.806 30.300 0.023 0.000 0.839 276 R HN 0.361 nan 8.270 nan 0.000 0.429 277 V N 1.656 121.581 119.914 0.019 0.000 2.287 277 V HA -0.261 3.859 4.120 0.000 0.000 0.248 277 V C 2.515 178.617 176.094 0.013 0.000 1.053 277 V CA 2.356 64.663 62.300 0.013 0.000 1.027 277 V CB -1.405 30.425 31.823 0.011 0.000 0.646 277 V HN 0.740 nan 8.190 nan 0.000 0.447 278 N N -0.265 118.447 118.700 0.020 0.000 2.635 278 N HA -0.123 4.617 4.740 0.000 0.000 0.191 278 N C 1.203 176.722 175.510 0.014 0.000 1.155 278 N CA 1.600 54.662 53.050 0.021 0.000 0.927 278 N CB -1.494 37.013 38.487 0.034 0.000 0.976 278 N HN 1.044 nan 8.380 nan 0.000 0.448 279 N N -1.724 116.983 118.700 0.011 0.000 2.693 279 N HA -0.238 4.502 4.740 0.000 0.000 0.250 279 N C 1.502 176.999 175.510 -0.021 0.000 1.033 279 N CA 2.464 55.512 53.050 -0.003 0.000 0.747 279 N CB -2.638 35.842 38.487 -0.010 0.000 0.964 279 N HN 1.298 nan 8.380 nan 0.000 0.540 280 K N -0.956 119.442 120.400 -0.003 0.000 2.147 280 K HA 0.468 4.788 4.320 0.000 0.000 0.205 280 K C 1.301 177.790 176.600 -0.185 0.000 1.049 280 K CA 1.806 58.072 56.287 -0.036 0.000 0.936 280 K CB 0.143 32.685 32.500 0.071 0.000 0.722 280 K HN 1.383 nan 8.250 nan 0.000 0.446 281 V N -1.608 118.205 119.914 -0.168 0.000 3.046 281 V HA 0.673 4.793 4.120 0.000 0.000 0.316 281 V C 1.260 177.279 176.094 -0.125 0.000 1.104 281 V CA -0.630 61.504 62.300 -0.277 0.000 1.006 281 V CB 1.585 33.191 31.823 -0.362 0.000 1.058 281 V HN 0.582 nan 8.190 nan 0.000 0.440 282 A N 3.167 125.913 122.820 -0.123 0.000 2.728 282 A HA 0.017 4.337 4.320 0.000 0.000 0.179 282 A C 1.980 179.540 177.584 -0.040 0.000 1.066 282 A CA 1.661 53.655 52.037 -0.071 0.000 0.950 282 A CB -1.622 17.338 19.000 -0.066 0.000 0.840 282 A HN 1.716 nan 8.150 nan 0.000 0.565 283 G N -0.905 107.877 108.800 -0.029 0.000 2.601 283 G HA2 0.256 4.216 3.960 0.000 0.000 0.214 283 G HA3 0.256 4.216 3.960 0.000 0.000 0.214 283 G C 0.834 175.730 174.900 -0.005 0.000 1.132 283 G CA 0.858 45.949 45.100 -0.016 0.000 0.761 283 G HN 1.506 nan 8.290 nan 0.000 0.550 284 I N -0.058 120.512 120.570 0.000 0.000 3.076 284 I HA 0.416 4.586 4.170 0.000 0.000 0.321 284 I C 1.025 177.146 176.117 0.007 0.000 1.216 284 I CA 0.111 61.419 61.300 0.014 0.000 1.460 284 I CB -0.934 37.080 38.000 0.023 0.000 1.313 284 I HN 0.663 nan 8.210 nan 0.000 0.546 288 R N 2.591 123.091 120.500 0.000 0.000 2.750 288 R HA 0.932 5.272 4.340 0.000 0.000 0.281 288 R C -1.027 175.268 176.300 -0.008 0.000 0.972 288 R CA -0.116 55.981 56.100 -0.004 0.000 0.912 288 R CB 1.877 32.175 30.300 -0.004 0.000 1.187 288 R HN 1.387 nan 8.270 nan 0.000 0.464 289 D N 0.811 121.203 120.400 -0.013 0.000 2.381 289 D HA 0.465 5.106 4.640 0.000 0.000 0.235 289 D C -0.652 175.637 176.300 -0.020 0.000 1.068 289 D CA 0.283 54.271 54.000 -0.019 0.000 0.832 289 D CB 1.552 42.336 40.800 -0.027 0.000 1.101 289 D HN 0.758 nan 8.370 nan 0.000 0.515 290 E N 1.874 122.063 120.200 -0.018 0.000 3.037 290 E HA 0.494 4.844 4.350 0.000 0.000 0.220 290 E C -0.999 175.589 176.600 -0.019 0.000 1.142 290 E CA -0.853 55.537 56.400 -0.017 0.000 0.888 290 E CB 0.570 30.264 29.700 -0.011 0.000 1.329 290 E HN 0.346 nan 8.360 nan 0.000 0.409 291 S N 1.450 117.133 115.700 -0.027 0.000 2.482 291 S HA 0.754 5.225 4.470 0.000 0.000 0.303 291 S C -0.805 173.776 174.600 -0.031 0.000 1.091 291 S CA -0.782 57.400 58.200 -0.030 0.000 1.057 291 S CB 1.337 64.511 63.200 -0.042 0.000 1.031 291 S HN 0.772 nan 8.310 nan 0.000 0.485 292 D N -0.158 120.227 120.400 -0.025 0.000 2.552 292 D HA 0.208 4.848 4.640 0.000 0.000 0.239 292 D C -0.138 176.152 176.300 -0.018 0.000 1.139 292 D CA -1.139 52.847 54.000 -0.022 0.000 0.914 292 D CB 0.556 41.347 40.800 -0.015 0.000 1.461 292 D HN 0.409 nan 8.370 nan 0.000 0.462 293 R N 1.609 122.101 120.500 -0.015 0.000 3.844 293 R HA -0.035 4.305 4.340 0.000 0.000 0.267 293 R C -0.885 175.418 176.300 0.004 0.000 0.940 293 R CA 0.935 57.033 56.100 -0.004 0.000 0.946 293 R CB -1.401 28.900 30.300 0.000 0.000 0.995 293 R HN 0.639 nan 8.270 nan 0.000 0.395 294 D N 0.531 120.934 120.400 0.005 0.000 2.801 294 D HA -0.017 4.624 4.640 0.000 0.000 0.091 294 D C -0.549 175.755 176.300 0.008 0.000 0.753 294 D CA 0.449 54.456 54.000 0.012 0.000 0.986 294 D CB -1.283 39.525 40.800 0.013 0.000 0.786 294 D HN 0.910 nan 8.370 nan 0.000 0.465 295 G N -0.255 108.547 108.800 0.004 0.000 2.351 295 G HA2 0.381 4.342 3.960 0.000 0.000 0.472 295 G HA3 0.381 4.342 3.960 0.000 0.000 0.472 295 G C -1.602 173.293 174.900 -0.008 0.000 1.570 295 G CA -0.607 44.494 45.100 0.002 0.000 0.921 295 G HN 0.639 nan 8.290 nan 0.000 0.674 296 L N 1.823 123.042 121.223 -0.007 0.000 2.282 296 L HA 0.934 5.274 4.340 0.000 0.000 0.288 296 L C 0.263 177.127 176.870 -0.010 0.000 1.033 296 L CA -1.056 53.773 54.840 -0.017 0.000 0.807 296 L CB 1.095 43.142 42.059 -0.020 0.000 1.209 296 L HN 0.739 nan 8.230 nan 0.000 0.423 297 R N 5.864 126.355 120.500 -0.014 0.000 2.515 297 R HA 0.595 4.936 4.340 0.000 0.000 0.291 297 R C -1.981 174.313 176.300 -0.010 0.000 1.046 297 R CA -0.491 55.605 56.100 -0.007 0.000 0.914 297 R CB 1.391 31.688 30.300 -0.005 0.000 1.191 297 R HN 0.676 nan 8.270 nan 0.000 0.435 298 I N 3.417 123.985 120.570 -0.003 0.000 2.465 298 I HA 0.517 4.688 4.170 0.000 0.000 0.291 298 I C -0.421 175.699 176.117 0.006 0.000 1.014 298 I CA -0.916 60.382 61.300 -0.002 0.000 1.093 298 I CB 2.206 40.204 38.000 -0.002 0.000 1.267 298 I HN 0.727 nan 8.210 nan 0.000 0.431 299 A N 7.662 130.484 122.820 0.004 0.000 2.288 299 A HA 0.862 5.182 4.320 0.000 0.000 0.320 299 A C -0.519 177.071 177.584 0.010 0.000 1.217 299 A CA -0.392 51.650 52.037 0.007 0.000 0.840 299 A CB 0.713 nan 19.000 nan 0.000 1.179 299 A HN 0.660 nan 8.150 nan 0.000 0.504 305 D N 1.515 121.908 120.400 -0.012 0.000 2.389 305 D HA 0.516 5.156 4.640 0.000 0.000 0.278 305 D C 0.620 176.912 176.300 -0.015 0.000 1.398 305 D CA 0.311 54.303 54.000 -0.014 0.000 1.090 305 D CB -0.381 40.409 40.800 -0.017 0.000 1.108 305 D HN 1.380 nan 8.370 nan 0.000 0.532 306 A N 2.156 124.968 122.820 -0.013 0.000 2.900 306 A HA 0.420 4.741 4.320 0.000 0.000 0.246 306 A C 1.826 179.400 177.584 -0.017 0.000 1.725 306 A CA 0.574 52.603 52.037 -0.013 0.000 1.400 306 A CB -1.552 17.441 19.000 -0.011 0.000 0.973 306 A HN 1.051 nan 8.150 nan 0.000 0.635 307 N N 0.445 119.134 118.700 -0.019 0.000 2.678 307 N HA 0.021 4.761 4.740 0.000 0.000 0.223 307 N C 1.598 177.093 175.510 -0.025 0.000 1.455 307 N CA 1.228 54.264 53.050 -0.023 0.000 0.907 307 N CB -1.063 37.407 38.487 -0.028 0.000 1.239 307 N HN 0.869 nan 8.380 nan 0.000 0.497 308 T N -1.849 112.691 114.554 -0.024 0.000 2.653 308 T HA -0.283 4.067 4.350 0.000 0.000 0.268 308 T C 1.442 176.115 174.700 -0.045 0.000 1.035 308 T CA 1.727 63.810 62.100 -0.028 0.000 1.154 308 T CB -0.252 68.601 68.868 -0.024 0.000 0.862 308 T HN 0.564 nan 8.240 nan 0.000 0.441 309 E N 1.347 121.518 120.200 -0.048 0.000 2.110 309 E HA -0.055 4.295 4.350 0.000 0.000 0.193 309 E C 2.842 179.400 176.600 -0.070 0.000 0.988 309 E CA 1.547 57.906 56.400 -0.068 0.000 0.804 309 E CB -1.012 28.657 29.700 -0.051 0.000 0.745 309 E HN 0.739 nan 8.360 nan 0.000 0.458 310 L N 1.574 122.772 121.223 -0.041 0.000 2.017 310 L HA -0.074 4.266 4.340 0.000 0.000 0.208 310 L C 3.035 179.908 176.870 0.006 0.000 1.073 310 L CA 2.516 57.343 54.840 -0.022 0.000 0.745 310 L CB -2.057 39.986 42.059 -0.027 0.000 0.894 310 L HN 0.203 nan 8.230 nan 0.000 0.432 311 V N -1.122 118.791 119.914 -0.003 0.000 2.255 311 V HA -0.227 3.893 4.120 0.000 0.000 0.247 311 V C 2.631 178.737 176.094 0.019 0.000 1.051 311 V CA 2.713 65.035 62.300 0.037 0.000 1.018 311 V CB -0.536 31.298 31.823 0.018 0.000 0.641 311 V HN 0.628 nan 8.190 nan 0.000 0.445 312 L N 0.516 121.686 121.223 -0.088 0.000 1.994 312 L HA -0.242 4.098 4.340 0.000 0.000 0.208 312 L C 2.877 179.469 176.870 -0.462 0.000 1.071 312 L CA 2.500 57.189 54.840 -0.252 0.000 0.745 312 L CB -0.830 41.050 42.059 -0.298 0.000 0.892 312 L HN 0.691 nan 8.230 nan 0.000 0.431 313 N N -0.896 117.595 118.700 -0.349 0.000 2.149 313 N HA -0.348 4.392 4.740 0.000 0.000 0.188 313 N C 1.806 177.277 175.510 -0.065 0.000 1.019 313 N CA 1.837 54.716 53.050 -0.284 0.000 0.857 313 N CB -1.095 37.314 38.487 -0.130 0.000 0.997 313 N HN 0.613 nan 8.380 nan 0.000 0.426 314 Y N 0.423 120.667 120.300 -0.094 0.000 2.163 314 Y HA 0.008 4.558 4.550 0.000 0.000 0.288 314 Y C 2.363 178.281 175.900 0.029 0.000 1.136 314 Y CA 1.225 59.313 58.100 -0.019 0.000 1.147 314 Y CB -0.189 38.260 38.460 -0.019 0.000 0.987 314 Y HN 0.271 nan 8.280 nan 0.000 0.509 315 L N -0.456 120.724 121.223 -0.071 0.000 1.997 315 L HA -0.320 4.020 4.340 0.000 0.000 0.216 315 L C 2.448 179.354 176.870 0.059 0.000 1.074 315 L CA 1.937 56.739 54.840 -0.065 0.000 0.763 315 L CB -0.840 41.265 42.059 0.077 0.000 0.890 315 L HN 0.349 nan 8.230 nan 0.000 0.434 316 F N 0.002 119.889 119.950 -0.105 0.000 2.065 316 F HA -0.366 4.161 4.527 0.000 0.000 0.298 316 F C 2.983 178.715 175.800 -0.113 0.000 1.112 316 F CA 1.299 59.252 58.000 -0.079 0.000 1.212 316 F CB -0.614 38.366 39.000 -0.033 0.000 0.975 316 F HN 0.107 nan 8.300 nan 0.000 0.476 317 K N 0.340 120.780 120.400 0.066 0.000 1.965 317 K HA -0.228 4.092 4.320 0.000 0.000 0.214 317 K C 2.048 178.565 176.600 -0.138 0.000 1.046 317 K CA 1.845 58.112 56.287 -0.033 0.000 0.944 317 K CB -2.351 30.136 32.500 -0.023 0.000 0.726 317 K HN 0.504 nan 8.250 nan 0.000 0.441 318 Y N 1.895 121.975 120.300 -0.367 0.000 2.616 318 Y HA 0.276 4.826 4.550 0.000 0.000 0.296 318 Y C 1.804 177.574 175.900 -0.217 0.000 1.154 318 Y CA 1.771 59.645 58.100 -0.378 0.000 1.325 318 Y CB -0.842 37.136 38.460 -0.803 0.000 1.007 318 Y HN 0.748 nan 8.280 nan 0.000 0.542 319 T N -4.917 109.543 114.554 -0.157 0.000 2.669 319 T HA 0.481 4.831 4.350 0.000 0.000 0.283 319 T C 0.283 174.948 174.700 -0.059 0.000 1.019 319 T CA 0.410 62.461 62.100 -0.082 0.000 1.039 319 T CB 0.954 69.789 68.868 -0.055 0.000 1.374 319 T HN 0.454 nan 8.240 nan 0.000 0.523 320 D N -0.140 120.228 120.400 -0.053 0.000 2.342 320 D HA 0.387 5.028 4.640 0.000 0.000 0.221 320 D C 1.871 178.121 176.300 -0.084 0.000 1.101 320 D CA -0.144 53.817 54.000 -0.065 0.000 0.837 320 D CB -0.411 40.353 40.800 -0.060 0.000 0.938 320 D HN 0.568 nan 8.370 nan 0.000 0.508 321 L N -0.935 120.247 121.223 -0.069 0.000 2.265 321 L HA 0.091 4.431 4.340 0.000 0.000 0.215 321 L C 1.684 178.368 176.870 -0.310 0.000 1.117 321 L CA 1.543 56.323 54.840 -0.100 0.000 0.782 321 L CB -0.120 41.971 42.059 0.054 0.000 0.914 321 L HN 0.612 nan 8.230 nan 0.000 0.441 322 Q N 0.709 120.316 119.800 -0.320 0.000 2.263 322 Q HA 0.568 4.908 4.340 0.000 0.000 0.266 322 Q C -0.721 175.176 176.000 -0.172 0.000 1.002 322 Q CA -0.482 55.091 55.803 -0.384 0.000 0.790 322 Q CB 1.849 30.175 28.738 -0.686 0.000 1.272 322 Q HN 0.296 nan 8.270 nan 0.000 0.435 323 I N -1.588 118.913 120.570 -0.114 0.000 3.294 323 I HA 0.748 4.918 4.170 0.000 0.000 0.311 323 I C -0.895 175.221 176.117 -0.001 0.000 1.111 323 I CA -1.370 59.901 61.300 -0.049 0.000 0.976 323 I CB 2.568 40.545 38.000 -0.038 0.000 1.260 323 I HN 0.709 nan 8.210 nan 0.000 0.474 324 N N 1.006 119.724 118.700 0.030 0.000 2.370 324 N HA 0.349 5.089 4.740 0.000 0.000 0.303 324 N C -1.754 173.838 175.510 0.137 0.000 1.103 324 N CA -0.429 52.674 53.050 0.089 0.000 0.848 324 N CB 2.382 40.911 38.487 0.070 0.000 1.235 324 N HN 0.728 nan 8.380 nan 0.000 0.496 325 Y N 0.713 121.075 120.300 0.102 0.000 2.377 325 Y HA 0.390 4.940 4.550 0.000 0.000 0.339 325 Y C -1.018 174.985 175.900 0.173 0.000 1.011 325 Y CA -0.840 57.335 58.100 0.126 0.000 1.093 325 Y CB 1.276 39.859 38.460 0.205 0.000 1.201 325 Y HN 0.433 nan 8.280 nan 0.000 0.455 326 N N 5.089 123.464 118.700 -0.540 0.000 2.405 326 N HA 0.314 5.055 4.740 0.000 0.000 0.299 326 N C -1.737 173.694 175.510 -0.133 0.000 1.075 326 N CA -0.330 52.632 53.050 -0.147 0.000 0.884 326 N CB 1.263 39.664 38.487 -0.143 0.000 1.194 326 N HN 0.569 nan 8.380 nan 0.000 0.491 327 F N 0.996 120.979 119.950 0.054 0.000 2.404 327 F HA 0.305 4.833 4.527 0.000 0.000 0.354 327 F C 0.843 176.690 175.800 0.078 0.000 1.122 327 F CA -0.540 57.550 58.000 0.149 0.000 1.080 327 F CB 0.927 40.026 39.000 0.166 0.000 1.131 327 F HN 0.315 nan 8.300 nan 0.000 0.471 328 N N 4.039 122.855 118.700 0.194 0.000 2.690 328 N HA 0.460 5.200 4.740 0.000 0.000 0.255 328 N C -0.982 174.617 175.510 0.148 0.000 1.195 328 N CA -0.295 52.846 53.050 0.152 0.000 0.790 328 N CB 0.746 39.284 38.487 0.084 0.000 1.216 328 N HN 0.616 nan 8.380 nan 0.000 0.528 329 M N 2.451 122.164 119.600 0.187 0.000 2.111 329 M HA 0.495 4.975 4.480 0.000 0.000 0.351 329 M C -1.081 175.284 176.300 0.109 0.000 1.214 329 M CA -0.360 55.036 55.300 0.160 0.000 1.120 329 M CB 0.224 32.958 32.600 0.223 0.000 1.443 329 M HN 0.147 nan 8.290 nan 0.000 0.429 330 V N 3.225 123.185 119.914 0.078 0.000 2.482 330 V HA 0.925 5.045 4.120 0.000 0.000 0.295 330 V C 0.151 176.245 176.094 0.000 0.000 1.026 330 V CA -0.627 61.703 62.300 0.050 0.000 0.856 330 V CB 0.862 32.736 31.823 0.084 0.000 1.001 330 V HN 1.336 nan 8.190 nan 0.000 0.424 331 A N 5.412 128.212 122.820 -0.033 0.000 2.483 331 A HA 0.930 5.250 4.320 0.000 0.000 0.286 331 A C -1.073 176.447 177.584 -0.105 0.000 1.207 331 A CA -0.721 51.275 52.037 -0.068 0.000 0.764 331 A CB 1.553 20.515 19.000 -0.064 0.000 1.341 331 A HN 0.576 nan 8.150 nan 0.000 0.428 332 I N 1.290 121.785 120.570 -0.125 0.000 2.312 332 I HA 0.474 4.644 4.170 0.000 0.000 0.290 332 I C 0.180 176.202 176.117 -0.158 0.000 1.008 332 I CA 0.188 61.401 61.300 -0.145 0.000 1.226 332 I CB 0.130 38.039 38.000 -0.152 0.000 1.371 332 I HN 0.834 nan 8.210 nan 0.000 0.468 333 D N 3.997 124.314 120.400 -0.139 0.000 2.481 333 D HA 0.309 4.950 4.640 0.000 0.000 0.244 333 D C 0.496 176.714 176.300 -0.137 0.000 1.057 333 D CA -0.675 53.237 54.000 -0.147 0.000 0.848 333 D CB 1.451 42.192 40.800 -0.097 0.000 1.388 333 D HN 0.755 nan 8.370 nan 0.000 0.475 334 N N 0.251 118.831 118.700 -0.200 0.000 2.721 334 N HA -0.233 4.508 4.740 0.000 0.000 0.249 334 N C -0.240 175.302 175.510 0.053 0.000 1.072 334 N CA 0.703 53.688 53.050 -0.109 0.000 0.710 334 N CB -1.142 37.352 38.487 0.012 0.000 0.993 334 N HN 0.852 nan 8.380 nan 0.000 0.547 335 F N -3.037 116.875 119.950 -0.063 0.000 2.884 335 F HA -0.282 4.245 4.527 0.000 0.000 0.294 335 F C 0.615 176.368 175.800 -0.078 0.000 0.723 335 F CA 1.323 59.284 58.000 -0.065 0.000 1.294 335 F CB -2.019 36.954 39.000 -0.044 0.000 1.551 335 F HN 0.338 nan 8.300 nan 0.000 0.363 336 T N -2.049 112.516 114.554 0.019 0.000 2.900 336 T HA 0.653 5.003 4.350 0.000 0.000 0.303 336 T C -3.093 171.520 174.700 -0.143 0.000 1.142 336 T CA -2.229 59.844 62.100 -0.045 0.000 1.007 336 T CB 2.878 71.740 68.868 -0.009 0.000 1.156 336 T HN -0.269 nan 8.240 nan 0.000 0.490 337 P HA 0.466 nan 4.420 nan 0.000 0.267 337 P C -0.707 176.434 177.300 -0.265 0.000 1.209 337 P CA 0.222 63.050 63.100 -0.453 0.000 0.763 337 P CB 0.135 31.119 31.700 -1.192 0.000 0.816 338 R N 2.060 122.469 120.500 -0.152 0.000 2.604 338 R HA 0.527 4.867 4.340 0.000 0.000 0.281 338 R C -0.854 175.452 176.300 0.009 0.000 1.020 338 R CA -0.913 55.162 56.100 -0.042 0.000 0.899 338 R CB 0.990 31.271 30.300 -0.030 0.000 1.205 338 R HN 0.613 nan 8.270 nan 0.000 0.450 339 Q N 1.707 121.546 119.800 0.065 0.000 2.303 339 Q HA 0.666 5.006 4.340 0.000 0.000 0.257 339 Q C -0.537 175.503 176.000 0.067 0.000 0.941 339 Q CA -0.571 55.283 55.803 0.085 0.000 0.931 339 Q CB 1.610 30.419 28.738 0.119 0.000 1.215 339 Q HN 0.870 nan 8.270 nan 0.000 0.437 340 V N 0.507 120.460 119.914 0.066 0.000 3.130 340 V HA 0.954 5.074 4.120 0.000 0.000 0.310 340 V C -0.006 176.133 176.094 0.075 0.000 1.158 340 V CA -0.465 61.867 62.300 0.053 0.000 1.029 340 V CB 1.413 33.251 31.823 0.025 0.000 1.057 340 V HN 0.779 nan 8.190 nan 0.000 0.436 341 G N -0.256 108.580 108.800 0.060 0.000 2.671 341 G HA2 0.537 4.498 3.960 0.000 0.000 0.275 341 G HA3 0.537 4.498 3.960 0.000 0.000 0.275 341 G C 0.543 175.449 174.900 0.010 0.000 1.368 341 G CA -0.620 44.525 45.100 0.075 0.000 1.044 341 G HN 0.820 nan 8.290 nan 0.000 0.543 342 I N -0.641 119.898 120.570 -0.051 0.000 2.208 342 I HA -0.184 3.986 4.170 0.000 0.000 0.245 342 I C 2.832 178.875 176.117 -0.124 0.000 1.097 342 I CA 0.850 62.029 61.300 -0.203 0.000 1.363 342 I CB -0.127 37.619 38.000 -0.423 0.000 1.051 342 I HN 0.148 nan 8.210 nan 0.000 0.413 343 V N 1.617 121.490 119.914 -0.069 0.000 2.287 343 V HA -0.189 3.932 4.120 0.000 0.000 0.248 343 V C -0.323 175.759 176.094 -0.020 0.000 1.053 343 V CA 2.297 64.575 62.300 -0.037 0.000 1.027 343 V CB -1.603 30.213 31.823 -0.012 0.000 0.646 343 V HN 0.302 nan 8.190 nan 0.000 0.447 344 P HA -0.124 nan 4.420 nan 0.000 0.214 344 P C 1.789 179.081 177.300 -0.013 0.000 1.162 344 P CA 1.621 64.717 63.100 -0.007 0.000 0.879 344 P CB -0.062 31.638 31.700 -0.001 0.000 0.786 345 I N -1.386 119.168 120.570 -0.027 0.000 2.127 345 I HA -0.247 3.923 4.170 0.000 0.000 0.241 345 I C 2.489 178.599 176.117 -0.012 0.000 1.075 345 I CA 1.451 62.730 61.300 -0.034 0.000 1.334 345 I CB -0.877 37.083 38.000 -0.066 0.000 1.040 345 I HN -0.111 nan 8.210 nan 0.000 0.405 346 L N 0.059 121.260 121.223 -0.035 0.000 1.970 346 L HA -0.259 4.082 4.340 0.000 0.000 0.212 346 L C 2.875 179.788 176.870 0.070 0.000 1.071 346 L CA 1.925 56.767 54.840 0.003 0.000 0.751 346 L CB -0.675 41.357 42.059 -0.046 0.000 0.889 346 L HN 0.335 nan 8.230 nan 0.000 0.432 347 S N -0.028 115.693 115.700 0.035 0.000 2.359 347 S HA -0.253 4.218 4.470 0.000 0.000 0.223 347 S C 2.259 176.888 174.600 0.049 0.000 1.039 347 S CA 2.235 60.461 58.200 0.043 0.000 1.042 347 S CB -0.372 62.842 63.200 0.024 0.000 0.915 347 S HN 0.622 nan 8.310 nan 0.000 0.439 348 S N 0.072 115.791 115.700 0.032 0.000 2.370 348 S HA -0.201 4.270 4.470 0.000 0.000 0.226 348 S C 1.811 176.425 174.600 0.024 0.000 1.033 348 S CA 1.424 59.631 58.200 0.011 0.000 1.011 348 S CB -1.263 61.925 63.200 -0.021 0.000 0.852 348 S HN 0.752 nan 8.310 nan 0.000 0.457 349 Y N 2.382 122.656 120.300 -0.043 0.000 2.128 349 Y HA -0.120 4.430 4.550 0.000 0.000 0.284 349 Y C 2.023 177.940 175.900 0.029 0.000 1.154 349 Y CA 1.479 59.559 58.100 -0.033 0.000 1.149 349 Y CB -0.573 37.849 38.460 -0.064 0.000 0.976 349 Y HN 0.230 nan 8.280 nan 0.000 0.505 350 I N 0.401 120.987 120.570 0.027 0.000 2.118 350 I HA -0.400 3.770 4.170 0.000 0.000 0.241 350 I C 2.723 178.788 176.117 -0.087 0.000 1.070 350 I CA 1.595 62.881 61.300 -0.024 0.000 1.327 350 I CB -0.837 37.228 38.000 0.109 0.000 1.034 350 I HN 0.389 nan 8.210 nan 0.000 0.405 351 A N -0.498 122.308 122.820 -0.023 0.000 1.978 351 A HA -0.300 4.020 4.320 0.000 0.000 0.220 351 A C 2.292 179.826 177.584 -0.083 0.000 1.170 351 A CA 1.857 53.878 52.037 -0.027 0.000 0.636 351 A CB -1.127 17.875 19.000 0.003 0.000 0.810 351 A HN 0.586 nan 8.150 nan 0.000 0.448 352 H N -0.475 118.462 119.070 -0.222 0.000 2.270 352 H HA -0.112 4.444 4.556 0.000 0.000 0.299 352 H C 2.147 177.300 175.328 -0.291 0.000 1.077 352 H CA 1.579 57.472 56.048 -0.258 0.000 1.294 352 H CB -0.044 29.527 29.762 -0.319 0.000 1.371 352 H HN 0.259 nan 8.280 nan 0.000 0.491 353 R N 0.813 121.056 120.500 -0.429 0.000 2.154 353 R HA -0.171 4.169 4.340 0.000 0.000 0.248 353 R C 2.541 178.637 176.300 -0.341 0.000 1.155 353 R CA 1.216 57.058 56.100 -0.430 0.000 0.979 353 R CB -0.748 29.311 30.300 -0.401 0.000 0.869 353 R HN 0.517 nan 8.270 nan 0.000 0.452 354 R N 1.046 121.364 120.500 -0.303 0.000 2.070 354 R HA -0.122 4.218 4.340 0.000 0.000 0.232 354 R C 1.806 177.946 176.300 -0.267 0.000 1.138 354 R CA 1.395 57.311 56.100 -0.306 0.000 0.936 354 R CB -0.067 30.051 30.300 -0.303 0.000 0.839 354 R HN 0.046 nan 8.270 nan 0.000 0.429 355 E N 0.392 120.439 120.200 -0.255 0.000 2.097 355 E HA -0.167 4.183 4.350 0.000 0.000 0.196 355 E C 2.123 178.574 176.600 -0.248 0.000 1.000 355 E CA 1.587 57.855 56.400 -0.221 0.000 0.804 355 E CB -0.278 29.303 29.700 -0.198 0.000 0.740 355 E HN 0.301 nan 8.360 nan 0.000 0.454 356 V N 1.754 121.452 119.914 -0.360 0.000 2.261 356 V HA -0.249 3.872 4.120 0.000 0.000 0.246 356 V C 2.526 178.500 176.094 -0.200 0.000 1.047 356 V CA 1.482 63.594 62.300 -0.314 0.000 1.015 356 V CB -0.527 31.064 31.823 -0.387 0.000 0.642 356 V HN 0.196 nan 8.190 nan 0.000 0.446 357 I N -0.167 120.283 120.570 -0.201 0.000 2.127 357 I HA -0.282 3.888 4.170 0.000 0.000 0.241 357 I C 2.450 178.497 176.117 -0.116 0.000 1.075 357 I CA 1.958 63.171 61.300 -0.146 0.000 1.334 357 I CB -0.377 37.523 38.000 -0.167 0.000 1.040 357 I HN 0.288 nan 8.210 nan 0.000 0.405 358 L N 0.499 121.642 121.223 -0.134 0.000 2.042 358 L HA -0.220 4.120 4.340 0.000 0.000 0.210 358 L C 2.835 179.668 176.870 -0.062 0.000 1.076 358 L CA 1.469 56.250 54.840 -0.098 0.000 0.749 358 L CB -0.827 41.167 42.059 -0.108 0.000 0.893 358 L HN 0.246 nan 8.230 nan 0.000 0.432 359 A N -0.275 122.501 122.820 -0.073 0.000 1.902 359 A HA -0.212 4.108 4.320 0.000 0.000 0.217 359 A C 2.474 180.061 177.584 0.006 0.000 1.181 359 A CA 1.454 53.467 52.037 -0.040 0.000 0.623 359 A CB -0.550 18.408 19.000 -0.071 0.000 0.818 359 A HN 0.282 nan 8.150 nan 0.000 0.443 360 R N -0.089 120.402 120.500 -0.015 0.000 2.097 360 R HA -0.144 4.196 4.340 0.000 0.000 0.236 360 R C 2.502 178.853 176.300 0.084 0.000 1.135 360 R CA 2.054 58.177 56.100 0.038 0.000 0.934 360 R CB -0.508 29.788 30.300 -0.006 0.000 0.846 360 R HN 0.527 nan 8.270 nan 0.000 0.431 361 S N 0.290 116.004 115.700 0.023 0.000 2.359 361 S HA -0.153 4.317 4.470 0.000 0.000 0.224 361 S C 1.874 176.488 174.600 0.024 0.000 1.035 361 S CA 1.341 59.548 58.200 0.012 0.000 1.018 361 S CB -0.277 62.912 63.200 -0.019 0.000 0.876 361 S HN 0.377 nan 8.310 nan 0.000 0.448 362 R N -0.195 120.324 120.500 0.031 0.000 2.096 362 R HA -0.134 4.206 4.340 0.000 0.000 0.240 362 R C 2.146 178.489 176.300 0.073 0.000 1.139 362 R CA 1.818 57.939 56.100 0.035 0.000 0.952 362 R CB -0.538 29.780 30.300 0.030 0.000 0.854 362 R HN 0.468 nan 8.270 nan 0.000 0.436 363 F N 2.012 121.940 119.950 -0.036 0.000 2.134 363 F HA -0.193 4.334 4.527 0.000 0.000 0.299 363 F C 1.843 177.625 175.800 -0.029 0.000 1.097 363 F CA 1.577 59.557 58.000 -0.033 0.000 1.264 363 F CB -0.235 38.745 39.000 -0.033 0.000 1.001 363 F HN -0.074 nan 8.300 nan 0.000 0.479 364 D N 0.533 120.884 120.400 -0.082 0.000 2.117 364 D HA -0.208 4.432 4.640 0.000 0.000 0.197 364 D C 2.240 178.428 176.300 -0.186 0.000 0.987 364 D CA 1.325 55.214 54.000 -0.185 0.000 0.829 364 D CB -0.303 40.478 40.800 -0.032 0.000 0.961 364 D HN 0.336 nan 8.370 nan 0.000 0.460 365 K N 0.542 120.877 120.400 -0.110 0.000 2.032 365 K HA -0.210 4.111 4.320 0.000 0.000 0.209 365 K C 2.239 178.772 176.600 -0.112 0.000 1.048 365 K CA 2.062 58.298 56.287 -0.086 0.000 0.927 365 K CB -0.059 32.412 32.500 -0.049 0.000 0.712 365 K HN 0.110 nan 8.250 nan 0.000 0.441 366 E N 0.658 120.777 120.200 -0.135 0.000 2.058 366 E HA -0.241 4.109 4.350 0.000 0.000 0.194 366 E C 2.108 178.590 176.600 -0.196 0.000 0.997 366 E CA 2.350 58.666 56.400 -0.141 0.000 0.801 366 E CB -1.225 28.407 29.700 -0.115 0.000 0.746 366 E HN 0.593 nan 8.360 nan 0.000 0.450 367 K N 0.438 120.633 120.400 -0.343 0.000 2.044 367 K HA 0.154 4.474 4.320 0.000 0.000 0.210 367 K C 2.748 179.240 176.600 -0.179 0.000 1.049 367 K CA 2.319 58.409 56.287 -0.328 0.000 0.927 367 K CB -1.350 30.857 32.500 -0.488 0.000 0.713 367 K HN 0.920 nan 8.250 nan 0.000 0.443 368 A N 1.412 124.140 122.820 -0.154 0.000 1.851 368 A HA -0.247 4.073 4.320 0.000 0.000 0.216 368 A C 2.293 179.843 177.584 -0.057 0.000 1.195 368 A CA 2.110 54.094 52.037 -0.089 0.000 0.622 368 A CB -0.628 18.328 19.000 -0.074 0.000 0.831 368 A HN 0.728 nan 8.150 nan 0.000 0.444 369 E N -0.233 119.933 120.200 -0.057 0.000 2.130 369 E HA -0.211 4.139 4.350 0.000 0.000 0.196 369 E C 2.422 179.022 176.600 -0.001 0.000 0.998 369 E CA 1.905 58.289 56.400 -0.026 0.000 0.806 369 E CB -0.325 29.352 29.700 -0.038 0.000 0.738 369 E HN 0.676 nan 8.360 nan 0.000 0.459 370 K N 1.348 121.732 120.400 -0.028 0.000 1.984 370 K HA -0.102 4.218 4.320 0.000 0.000 0.209 370 K C 1.987 178.613 176.600 0.043 0.000 1.046 370 K CA 1.642 57.929 56.287 0.000 0.000 0.934 370 K CB -0.682 31.797 32.500 -0.034 0.000 0.717 370 K HN -0.040 nan 8.250 nan 0.000 0.438 371 R N 0.949 121.450 120.500 0.003 0.000 2.120 371 R HA 0.001 4.341 4.340 0.000 0.000 0.234 371 R C 2.194 178.503 176.300 0.016 0.000 1.123 371 R CA 1.415 57.518 56.100 0.004 0.000 0.975 371 R CB -0.567 29.721 30.300 -0.019 0.000 0.866 371 R HN 0.504 nan 8.270 nan 0.000 0.446 372 L N 0.199 121.434 121.223 0.021 0.000 1.994 372 L HA -0.203 4.137 4.340 0.000 0.000 0.208 372 L C 1.982 178.886 176.870 0.055 0.000 1.071 372 L CA 2.764 57.620 54.840 0.027 0.000 0.745 372 L CB -1.260 40.811 42.059 0.021 0.000 0.892 372 L HN 0.467 nan 8.230 nan 0.000 0.431 373 H N -0.169 118.896 119.070 -0.009 0.000 2.387 373 H HA -0.145 4.411 4.556 0.000 0.000 0.299 373 H C 2.270 177.609 175.328 0.018 0.000 1.090 373 H CA 2.416 58.467 56.048 0.005 0.000 1.332 373 H CB -0.133 29.631 29.762 0.003 0.000 1.386 373 H HN 0.439 nan 8.280 nan 0.000 0.516 374 I N -0.612 119.989 120.570 0.052 0.000 2.252 374 I HA -0.233 3.938 4.170 0.000 0.000 0.245 374 I C 2.329 178.418 176.117 -0.047 0.000 1.102 374 I CA 0.863 62.157 61.300 -0.011 0.000 1.385 374 I CB -0.168 37.854 38.000 0.037 0.000 1.064 374 I HN 0.205 nan 8.210 nan 0.000 0.414 375 V N 1.219 121.116 119.914 -0.028 0.000 2.287 375 V HA -0.337 3.783 4.120 0.000 0.000 0.248 375 V C 3.029 179.104 176.094 -0.033 0.000 1.053 375 V CA 2.600 64.883 62.300 -0.028 0.000 1.027 375 V CB -1.094 30.719 31.823 -0.018 0.000 0.646 375 V HN 0.619 nan 8.190 nan 0.000 0.447 376 E N -0.004 120.168 120.200 -0.046 0.000 2.130 376 E HA -0.261 4.089 4.350 0.000 0.000 0.196 376 E C 2.230 178.805 176.600 -0.042 0.000 0.998 376 E CA 1.886 58.256 56.400 -0.050 0.000 0.806 376 E CB -1.426 28.233 29.700 -0.069 0.000 0.738 376 E HN 0.711 nan 8.360 nan 0.000 0.459 377 G N 0.348 109.108 108.800 -0.067 0.000 2.414 377 G HA2 -0.111 3.849 3.960 0.000 0.000 0.215 377 G HA3 -0.111 3.849 3.960 0.000 0.000 0.215 377 G C 1.867 176.830 174.900 0.105 0.000 1.188 377 G CA 0.975 46.103 45.100 0.047 0.000 0.783 377 G HN 0.459 nan 8.290 nan 0.000 0.537 378 L N 0.086 121.316 121.223 0.011 0.000 2.043 378 L HA -0.105 4.235 4.340 0.000 0.000 0.212 378 L C 2.871 179.755 176.870 0.024 0.000 1.075 378 L CA 0.797 55.633 54.840 -0.006 0.000 0.752 378 L CB -0.491 41.546 42.059 -0.036 0.000 0.891 378 L HN 0.189 nan 8.230 nan 0.000 0.432 379 I N -0.591 119.991 120.570 0.020 0.000 2.151 379 I HA -0.360 3.810 4.170 0.000 0.000 0.243 379 I C 2.981 179.126 176.117 0.047 0.000 1.080 379 I CA 1.380 62.693 61.300 0.021 0.000 1.339 379 I CB -0.317 37.687 38.000 0.007 0.000 1.039 379 I HN 0.233 nan 8.210 nan 0.000 0.409 380 R N 0.314 120.860 120.500 0.076 0.000 2.083 380 R HA -0.164 4.176 4.340 0.000 0.000 0.237 380 R C 2.299 178.700 176.300 0.168 0.000 1.137 380 R CA 1.685 57.843 56.100 0.097 0.000 0.951 380 R CB -0.371 29.973 30.300 0.073 0.000 0.851 380 R HN 0.230 nan 8.270 nan 0.000 0.434 381 V N 1.378 121.432 119.914 0.233 0.000 2.332 381 V HA -0.293 3.827 4.120 0.000 0.000 0.248 381 V C 2.879 179.030 176.094 0.095 0.000 1.055 381 V CA 2.071 64.489 62.300 0.196 0.000 1.038 381 V CB -0.877 30.980 31.823 0.056 0.000 0.651 381 V HN 0.497 nan 8.190 nan 0.000 0.450 382 I N 0.804 121.408 120.570 0.055 0.000 2.236 382 I HA -0.268 3.902 4.170 0.000 0.000 0.249 382 I C 2.617 178.758 176.117 0.041 0.000 1.102 382 I CA 2.858 64.176 61.300 0.030 0.000 1.365 382 I CB -1.550 36.458 38.000 0.013 0.000 1.051 382 I HN 0.613 nan 8.210 nan 0.000 0.420 383 S N 0.157 115.891 115.700 0.057 0.000 2.436 383 S HA 0.240 4.710 4.470 0.000 0.000 0.228 383 S C 1.831 176.479 174.600 0.080 0.000 1.014 383 S CA 1.323 59.556 58.200 0.055 0.000 0.950 383 S CB -0.699 62.527 63.200 0.044 0.000 0.784 383 S HN 1.693 nan 8.310 nan 0.000 0.504 384 I N 0.351 120.998 120.570 0.128 0.000 3.941 384 I HA 0.566 4.736 4.170 0.000 0.000 0.335 384 I C 1.737 177.935 176.117 0.135 0.000 1.402 384 I CA -0.233 61.182 61.300 0.190 0.000 1.112 384 I CB -1.209 37.034 38.000 0.404 0.000 1.043 384 I HN 0.386 nan 8.210 nan 0.000 0.395 385 L N 0.733 122.001 121.223 0.075 0.000 1.997 385 L HA -0.313 4.027 4.340 0.000 0.000 0.216 385 L C 2.904 179.787 176.870 0.021 0.000 1.074 385 L CA 2.924 57.781 54.840 0.029 0.000 0.763 385 L CB -0.558 41.509 42.059 0.013 0.000 0.890 385 L HN 0.632 nan 8.230 nan 0.000 0.434 386 D N -0.891 119.528 120.400 0.033 0.000 2.127 386 D HA -0.312 4.328 4.640 0.000 0.000 0.190 386 D C 2.027 178.346 176.300 0.033 0.000 1.000 386 D CA 2.396 56.412 54.000 0.027 0.000 0.839 386 D CB -0.933 39.886 40.800 0.032 0.000 0.955 386 D HN 0.616 nan 8.370 nan 0.000 0.446 387 E N -0.332 119.910 120.200 0.070 0.000 2.110 387 E HA 0.018 4.368 4.350 0.000 0.000 0.193 387 E C 2.480 179.095 176.600 0.025 0.000 0.988 387 E CA 1.406 57.865 56.400 0.099 0.000 0.804 387 E CB -1.062 28.773 29.700 0.225 0.000 0.745 387 E HN 0.572 nan 8.360 nan 0.000 0.458 388 V N 1.125 121.014 119.914 -0.043 0.000 2.255 388 V HA -0.271 3.849 4.120 0.000 0.000 0.247 388 V C 2.693 178.713 176.094 -0.123 0.000 1.051 388 V CA 2.025 64.216 62.300 -0.182 0.000 1.018 388 V CB -0.577 31.142 31.823 -0.174 0.000 0.641 388 V HN 0.629 nan 8.190 nan 0.000 0.445 389 I N 0.687 121.214 120.570 -0.073 0.000 2.163 389 I HA -0.274 3.897 4.170 0.000 0.000 0.243 389 I C 2.769 178.862 176.117 -0.040 0.000 1.085 389 I CA 1.598 62.864 61.300 -0.056 0.000 1.347 389 I CB -0.867 37.111 38.000 -0.036 0.000 1.044 389 I HN 0.308 nan 8.210 nan 0.000 0.408 390 A N 1.383 124.191 122.820 -0.021 0.000 1.892 390 A HA -0.267 4.053 4.320 0.000 0.000 0.218 390 A C 2.426 180.003 177.584 -0.010 0.000 1.188 390 A CA 2.147 54.181 52.037 -0.005 0.000 0.631 390 A CB -1.038 17.972 19.000 0.016 0.000 0.822 390 A HN 0.531 nan 8.150 nan 0.000 0.447 391 L N -0.198 121.011 121.223 -0.025 0.000 2.012 391 L HA -0.187 4.153 4.340 0.000 0.000 0.210 391 L C 2.277 179.123 176.870 -0.039 0.000 1.073 391 L CA 1.951 56.773 54.840 -0.030 0.000 0.748 391 L CB -0.299 41.716 42.059 -0.073 0.000 0.891 391 L HN 0.426 nan 8.230 nan 0.000 0.431 392 I N -0.144 120.391 120.570 -0.060 0.000 2.208 392 I HA -0.248 3.922 4.170 0.000 0.000 0.245 392 I C 2.751 178.848 176.117 -0.034 0.000 1.097 392 I CA 1.207 62.474 61.300 -0.055 0.000 1.363 392 I CB -1.124 36.834 38.000 -0.069 0.000 1.051 392 I HN 0.426 nan 8.210 nan 0.000 0.413 393 R N 1.512 121.996 120.500 -0.027 0.000 2.070 393 R HA -0.066 4.274 4.340 0.000 0.000 0.233 393 R C 2.263 178.557 176.300 -0.010 0.000 1.137 393 R CA 1.547 57.637 56.100 -0.016 0.000 0.945 393 R CB -0.886 29.407 30.300 -0.012 0.000 0.845 393 R HN 0.354 nan 8.270 nan 0.000 0.430 394 A N 1.290 124.106 122.820 -0.007 0.000 2.216 394 A HA -0.001 4.319 4.320 0.000 0.000 0.214 394 A C 0.861 178.444 177.584 -0.002 0.000 1.160 394 A CA 0.412 52.449 52.037 -0.001 0.000 0.725 394 A CB -0.117 18.886 19.000 0.006 0.000 0.784 394 A HN 0.152 nan 8.150 nan 0.000 0.472 395 S N -1.677 114.018 115.700 -0.009 0.000 2.610 395 S HA 0.494 4.964 4.470 0.000 0.000 0.273 395 S C 1.429 176.025 174.600 -0.008 0.000 1.274 395 S CA 0.237 58.432 58.200 -0.009 0.000 1.023 395 S CB 1.419 64.609 63.200 -0.018 0.000 0.962 395 S HN 0.667 nan 8.310 nan 0.000 0.523 396 E N 1.833 122.030 120.200 -0.005 0.000 2.038 396 E HA 0.096 4.446 4.350 0.000 0.000 0.190 396 E C 0.929 177.525 176.600 -0.006 0.000 0.967 396 E CA 1.101 57.498 56.400 -0.004 0.000 0.816 396 E CB -1.296 28.404 29.700 -0.001 0.000 0.784 396 E HN 0.862 nan 8.360 nan 0.000 0.456 397 N N 0.014 118.710 118.700 -0.007 0.000 2.530 397 N HA 0.417 5.157 4.740 0.000 0.000 0.283 397 N C 0.977 176.479 175.510 -0.013 0.000 1.238 397 N CA 0.206 53.252 53.050 -0.008 0.000 0.971 397 N CB 0.854 39.338 38.487 -0.005 0.000 1.195 397 N HN 0.437 nan 8.380 nan 0.000 0.583 398 K N -0.804 119.587 120.400 -0.014 0.000 2.002 398 K HA -0.051 4.269 4.320 0.000 0.000 0.209 398 K C 2.161 178.749 176.600 -0.020 0.000 1.048 398 K CA 2.026 58.301 56.287 -0.020 0.000 0.930 398 K CB -0.508 31.981 32.500 -0.018 0.000 0.714 398 K HN 0.618 nan 8.250 nan 0.000 0.438 399 A N 1.130 123.942 122.820 -0.013 0.000 1.883 399 A HA -0.201 4.119 4.320 0.000 0.000 0.217 399 A C 2.166 179.745 177.584 -0.008 0.000 1.186 399 A CA 2.591 54.623 52.037 -0.010 0.000 0.624 399 A CB -1.677 17.320 19.000 -0.005 0.000 0.822 399 A HN 0.710 nan 8.150 nan 0.000 0.444 400 D N -0.334 120.062 120.400 -0.006 0.000 2.149 400 D HA 0.045 4.685 4.640 0.000 0.000 0.198 400 D C 2.218 178.513 176.300 -0.008 0.000 0.990 400 D CA 2.593 56.590 54.000 -0.003 0.000 0.839 400 D CB -0.789 40.010 40.800 -0.002 0.000 0.948 400 D HN 0.775 nan 8.370 nan 0.000 0.460 401 A N 0.902 123.711 122.820 -0.018 0.000 1.849 401 A HA -0.199 4.121 4.320 0.000 0.000 0.217 401 A C 2.226 179.788 177.584 -0.037 0.000 1.202 401 A CA 2.367 54.385 52.037 -0.032 0.000 0.629 401 A CB -0.575 18.400 19.000 -0.042 0.000 0.834 401 A HN 0.501 nan 8.150 nan 0.000 0.447 402 K N -0.715 119.664 120.400 -0.035 0.000 2.020 402 K HA -0.184 4.136 4.320 0.000 0.000 0.212 402 K C 2.350 178.947 176.600 -0.004 0.000 1.050 402 K CA 2.032 58.299 56.287 -0.033 0.000 0.929 402 K CB -0.525 31.960 32.500 -0.025 0.000 0.714 402 K HN 0.631 nan 8.250 nan 0.000 0.443 403 E N 1.001 121.205 120.200 0.005 0.000 2.153 403 E HA -0.245 4.105 4.350 0.000 0.000 0.194 403 E C 1.830 178.450 176.600 0.033 0.000 0.988 403 E CA 1.807 58.219 56.400 0.022 0.000 0.811 403 E CB -1.673 28.037 29.700 0.017 0.000 0.746 403 E HN 0.653 nan 8.360 nan 0.000 0.466 404 N N 0.287 119.001 118.700 0.023 0.000 2.188 404 N HA 0.060 4.801 4.740 0.000 0.000 0.184 404 N C 2.244 177.790 175.510 0.060 0.000 1.018 404 N CA 1.440 54.512 53.050 0.036 0.000 0.858 404 N CB -0.458 38.041 38.487 0.020 0.000 0.989 404 N HN 0.381 nan 8.380 nan 0.000 0.426 405 L N 0.465 121.709 121.223 0.035 0.000 2.046 405 L HA -0.037 4.303 4.340 0.000 0.000 0.208 405 L C 3.327 180.322 176.870 0.208 0.000 1.077 405 L CA 2.139 57.027 54.840 0.080 0.000 0.747 405 L CB -0.568 41.478 42.059 -0.021 0.000 0.896 405 L HN 0.565 nan 8.230 nan 0.000 0.432 406 K N 0.174 120.662 120.400 0.148 0.000 2.057 406 K HA -0.050 4.270 4.320 0.000 0.000 0.207 406 K C 2.234 178.909 176.600 0.125 0.000 1.049 406 K CA 1.987 58.364 56.287 0.150 0.000 0.931 406 K CB -1.855 30.705 32.500 0.100 0.000 0.714 406 K HN 0.313 nan 8.250 nan 0.000 0.440 407 V N 0.599 120.576 119.914 0.104 0.000 2.270 407 V HA 0.005 4.125 4.120 0.000 0.000 0.245 407 V C 2.810 178.971 176.094 0.111 0.000 1.043 407 V CA 3.433 65.785 62.300 0.088 0.000 1.014 407 V CB -1.325 30.539 31.823 0.069 0.000 0.645 407 V HN 0.698 nan 8.190 nan 0.000 0.447 408 S N -0.879 114.928 115.700 0.177 0.000 2.341 408 S HA -0.116 4.354 4.470 0.000 0.000 0.204 408 S C 1.783 176.544 174.600 0.270 0.000 1.038 408 S CA 1.439 59.791 58.200 0.253 0.000 1.013 408 S CB -0.830 62.629 63.200 0.432 0.000 0.994 408 S HN 0.667 nan 8.310 nan 0.000 0.430 409 Y N 2.297 122.619 120.300 0.036 0.000 2.488 409 Y HA 0.305 4.856 4.550 0.000 0.000 0.319 409 Y C 1.463 177.239 175.900 -0.207 0.000 1.212 409 Y CA -0.015 58.032 58.100 -0.088 0.000 1.273 409 Y CB -1.389 37.027 38.460 -0.073 0.000 1.074 409 Y HN 0.600 nan 8.280 nan 0.000 0.503 410 D N 0.915 121.364 120.400 0.082 0.000 2.859 410 D HA -0.249 4.391 4.640 0.000 0.000 0.214 410 D C -0.020 176.268 176.300 -0.019 0.000 1.250 410 D CA 0.536 54.559 54.000 0.038 0.000 0.635 410 D CB -2.083 38.717 40.800 -0.001 0.000 0.961 410 D HN 0.327 nan 8.370 nan 0.000 0.395 411 F N -0.124 119.871 119.950 0.075 0.000 2.426 411 F HA 0.503 5.030 4.527 0.000 0.000 0.309 411 F C 2.049 177.880 175.800 0.052 0.000 1.246 411 F CA 0.491 58.518 58.000 0.045 0.000 1.229 411 F CB 0.986 39.996 39.000 0.016 0.000 1.255 411 F HN 0.416 nan 8.300 nan 0.000 0.558 412 T N -2.029 112.711 114.554 0.310 0.000 2.865 412 T HA 0.205 4.556 4.350 0.000 0.000 0.302 412 T C 0.962 175.766 174.700 0.173 0.000 1.078 412 T CA -0.189 62.047 62.100 0.227 0.000 0.942 412 T CB 0.874 69.933 68.868 0.319 0.000 1.387 412 T HN 0.568 nan 8.240 nan 0.000 0.557 413 E N 0.599 120.874 120.200 0.124 0.000 2.021 413 E HA 0.023 4.373 4.350 0.000 0.000 0.189 413 E C 2.686 179.326 176.600 0.065 0.000 0.980 413 E CA 2.114 58.559 56.400 0.074 0.000 0.803 413 E CB -1.168 28.559 29.700 0.047 0.000 0.766 413 E HN 0.835 nan 8.360 nan 0.000 0.449 414 E N 0.985 121.236 120.200 0.085 0.000 2.118 414 E HA -0.260 4.090 4.350 0.000 0.000 0.195 414 E C 2.028 178.668 176.600 0.066 0.000 0.992 414 E CA 1.783 58.227 56.400 0.072 0.000 0.804 414 E CB -0.940 28.811 29.700 0.084 0.000 0.741 414 E HN 0.559 nan 8.360 nan 0.000 0.458 415 Q N -0.507 119.360 119.800 0.112 0.000 2.135 415 Q HA -0.053 4.287 4.340 0.000 0.000 0.204 415 Q C 2.663 178.598 176.000 -0.108 0.000 0.981 415 Q CA 1.424 57.240 55.803 0.021 0.000 0.856 415 Q CB -0.300 28.502 28.738 0.105 0.000 0.902 415 Q HN 0.618 nan 8.270 nan 0.000 0.425 416 A N 1.385 124.160 122.820 -0.075 0.000 1.851 416 A HA -0.283 4.037 4.320 0.000 0.000 0.216 416 A C 2.244 179.759 177.584 -0.115 0.000 1.195 416 A CA 2.269 54.225 52.037 -0.135 0.000 0.622 416 A CB -1.363 17.606 19.000 -0.051 0.000 0.831 416 A HN 0.496 nan 8.150 nan 0.000 0.444 417 E N -0.384 119.781 120.200 -0.060 0.000 2.070 417 E HA -0.122 4.228 4.350 0.000 0.000 0.197 417 E C 2.341 178.899 176.600 -0.070 0.000 1.004 417 E CA 2.654 59.023 56.400 -0.052 0.000 0.805 417 E CB -1.338 28.347 29.700 -0.025 0.000 0.744 417 E HN 1.119 nan 8.360 nan 0.000 0.451 418 A N 0.589 123.365 122.820 -0.073 0.000 1.865 418 A HA -0.023 4.297 4.320 0.000 0.000 0.217 418 A C 2.560 180.071 177.584 -0.121 0.000 1.191 418 A CA 1.878 53.866 52.037 -0.082 0.000 0.623 418 A CB -0.501 18.459 19.000 -0.067 0.000 0.826 418 A HN 0.577 nan 8.150 nan 0.000 0.444 419 I N -0.447 120.014 120.570 -0.183 0.000 2.226 419 I HA -0.190 3.980 4.170 0.000 0.000 0.245 419 I C 2.285 178.299 176.117 -0.173 0.000 1.100 419 I CA 1.082 62.249 61.300 -0.222 0.000 1.374 419 I CB -0.641 37.133 38.000 -0.376 0.000 1.057 419 I HN 0.137 nan 8.210 nan 0.000 0.413 420 V N 1.214 121.035 119.914 -0.155 0.000 2.237 420 V HA -0.278 3.843 4.120 0.000 0.000 0.245 420 V C 2.712 178.757 176.094 -0.082 0.000 1.046 420 V CA 2.682 64.915 62.300 -0.113 0.000 1.007 420 V CB -1.442 30.325 31.823 -0.093 0.000 0.638 420 V HN 0.612 nan 8.190 nan 0.000 0.445 421 T N -0.979 113.533 114.554 -0.070 0.000 2.977 421 T HA -0.011 4.339 4.350 0.000 0.000 0.271 421 T C 0.789 175.457 174.700 -0.053 0.000 1.105 421 T CA 0.211 62.281 62.100 -0.049 0.000 1.116 421 T CB -0.843 68.002 68.868 -0.038 0.000 0.878 421 T HN 0.267 nan 8.240 nan 0.000 0.509 422 L N 2.374 123.551 121.223 -0.077 0.000 2.693 422 L HA -0.071 4.270 4.340 0.000 0.000 0.292 422 L C 1.317 178.142 176.870 -0.074 0.000 1.243 422 L CA 0.082 54.866 54.840 -0.094 0.000 0.903 422 L CB 0.014 42.003 42.059 -0.115 0.000 1.160 422 L HN 0.417 nan 8.230 nan 0.000 0.496 423 Q N 2.999 122.752 119.800 -0.079 0.000 2.418 423 Q HA 0.122 4.462 4.340 0.000 0.000 0.178 423 Q C 0.989 176.970 176.000 -0.032 0.000 1.141 423 Q CA -0.304 55.496 55.803 -0.006 0.000 1.190 423 Q CB 0.514 29.328 28.738 0.126 0.000 1.658 423 Q HN 0.628 nan 8.270 nan 0.000 0.626 424 L N -0.984 120.281 121.223 0.069 0.000 2.467 424 L HA -0.019 4.321 4.340 0.000 0.000 0.213 424 L C 2.246 179.154 176.870 0.063 0.000 1.053 424 L CA 0.115 54.984 54.840 0.049 0.000 0.847 424 L CB 0.001 42.101 42.059 0.068 0.000 1.075 424 L HN 0.653 nan 8.230 nan 0.000 0.479 425 Y N -0.907 119.384 120.300 -0.015 0.000 2.483 425 Y HA -0.064 4.486 4.550 0.000 0.000 0.291 425 Y C 2.243 178.135 175.900 -0.014 0.000 1.143 425 Y CA 0.276 58.369 58.100 -0.013 0.000 1.289 425 Y CB -0.972 37.481 38.460 -0.011 0.000 0.983 425 Y HN -0.050 nan 8.280 nan 0.000 0.556 426 R N 0.923 121.114 120.500 -0.514 0.000 2.189 426 R HA 0.017 4.357 4.340 0.000 0.000 0.223 426 R C 2.008 178.194 176.300 -0.189 0.000 1.092 426 R CA 0.910 56.746 56.100 -0.439 0.000 0.989 426 R CB -0.545 29.489 30.300 -0.443 0.000 0.876 426 R HN 0.503 nan 8.270 nan 0.000 0.457 427 L N -0.283 120.870 121.223 -0.117 0.000 2.201 427 L HA -0.100 4.241 4.340 0.000 0.000 0.212 427 L C 2.206 179.056 176.870 -0.033 0.000 1.105 427 L CA 1.013 55.817 54.840 -0.061 0.000 0.775 427 L CB -0.589 41.447 42.059 -0.038 0.000 0.913 427 L HN 0.107 nan 8.230 nan 0.000 0.440 428 T N -0.180 114.365 114.554 -0.015 0.000 2.897 428 T HA -0.162 4.188 4.350 0.000 0.000 0.271 428 T C 0.928 175.626 174.700 -0.002 0.000 1.084 428 T CA 1.054 63.162 62.100 0.012 0.000 1.123 428 T CB -0.334 68.568 68.868 0.057 0.000 0.865 428 T HN 0.190 nan 8.240 nan 0.000 0.496 429 N N 1.144 119.827 118.700 -0.028 0.000 2.904 429 N HA 0.309 5.049 4.740 0.000 0.000 0.257 429 N C -0.660 174.830 175.510 -0.034 0.000 1.363 429 N CA -0.116 52.917 53.050 -0.027 0.000 0.856 429 N CB 0.457 38.923 38.487 -0.036 0.000 1.166 429 N HN 0.173 nan 8.380 nan 0.000 0.499 430 T N 0.222 114.763 114.554 -0.022 0.000 2.753 430 T HA 0.453 4.804 4.350 0.000 0.000 0.297 430 T C -0.472 174.221 174.700 -0.011 0.000 0.981 430 T CA -0.510 61.578 62.100 -0.019 0.000 0.956 430 T CB 0.237 69.097 68.868 -0.013 0.000 0.936 430 T HN 0.340 nan 8.240 nan 0.000 0.463 431 D N 3.083 123.476 120.400 -0.012 0.000 3.595 431 D HA 0.152 4.793 4.640 0.000 0.000 0.253 431 D C 1.133 177.429 176.300 -0.007 0.000 1.395 431 D CA -0.330 53.665 54.000 -0.008 0.000 0.820 431 D CB -0.056 40.740 40.800 -0.007 0.000 1.431 431 D HN 0.169 nan 8.370 nan 0.000 0.690 432 V N 0.410 120.322 119.914 -0.005 0.000 2.592 432 V HA -0.310 3.810 4.120 0.000 0.000 0.262 432 V C 2.383 178.474 176.094 -0.005 0.000 1.108 432 V CA 1.829 64.127 62.300 -0.004 0.000 1.121 432 V CB -0.474 31.349 31.823 0.000 0.000 0.689 432 V HN 0.493 nan 8.190 nan 0.000 0.479 433 V N 0.146 120.058 119.914 -0.004 0.000 2.255 433 V HA -0.272 3.849 4.120 0.000 0.000 0.247 433 V C 2.385 178.476 176.094 -0.005 0.000 1.051 433 V CA 2.430 64.728 62.300 -0.004 0.000 1.018 433 V CB -0.382 31.439 31.823 -0.003 0.000 0.641 433 V HN 0.567 nan 8.190 nan 0.000 0.445 434 V N -1.058 118.853 119.914 -0.007 0.000 2.255 434 V HA -0.281 3.839 4.120 0.000 0.000 0.247 434 V C 2.291 178.379 176.094 -0.010 0.000 1.051 434 V CA 2.051 64.346 62.300 -0.008 0.000 1.018 434 V CB -1.088 30.729 31.823 -0.009 0.000 0.641 434 V HN 0.441 nan 8.190 nan 0.000 0.445 435 L N 0.242 121.458 121.223 -0.012 0.000 2.012 435 L HA -0.279 4.062 4.340 0.000 0.000 0.210 435 L C 3.345 180.208 176.870 -0.010 0.000 1.073 435 L CA 2.473 57.305 54.840 -0.013 0.000 0.748 435 L CB -1.306 40.744 42.059 -0.014 0.000 0.891 435 L HN 0.567 nan 8.230 nan 0.000 0.431 436 Q N 0.408 120.204 119.800 -0.008 0.000 2.096 436 Q HA -0.299 4.041 4.340 0.000 0.000 0.204 436 Q C 1.981 177.977 176.000 -0.006 0.000 0.982 436 Q CA 2.078 57.877 55.803 -0.007 0.000 0.850 436 Q CB -0.889 27.846 28.738 -0.005 0.000 0.901 436 Q HN 0.596 nan 8.270 nan 0.000 0.422 437 E N -0.270 119.926 120.200 -0.006 0.000 2.049 437 E HA -0.165 4.185 4.350 0.000 0.000 0.198 437 E C 2.521 179.117 176.600 -0.007 0.000 1.007 437 E CA 2.074 58.470 56.400 -0.006 0.000 0.809 437 E CB -0.071 29.626 29.700 -0.005 0.000 0.749 437 E HN 0.797 nan 8.360 nan 0.000 0.450 438 E N 1.086 121.281 120.200 -0.008 0.000 2.077 438 E HA -0.274 4.077 4.350 0.000 0.000 0.193 438 E C 1.795 178.389 176.600 -0.010 0.000 0.989 438 E CA 1.548 57.942 56.400 -0.010 0.000 0.800 438 E CB -0.749 28.943 29.700 -0.012 0.000 0.746 438 E HN 0.428 nan 8.360 nan 0.000 0.452 439 E N -0.204 119.991 120.200 -0.009 0.000 2.051 439 E HA -0.117 4.233 4.350 0.000 0.000 0.192 439 E C 2.454 179.050 176.600 -0.007 0.000 0.991 439 E CA 1.109 57.505 56.400 -0.008 0.000 0.799 439 E CB -0.293 29.402 29.700 -0.007 0.000 0.748 439 E HN 0.480 nan 8.360 nan 0.000 0.449 440 A N 1.371 124.187 122.820 -0.006 0.000 1.892 440 A HA -0.272 4.048 4.320 0.000 0.000 0.218 440 A C 2.079 179.659 177.584 -0.006 0.000 1.188 440 A CA 1.908 53.942 52.037 -0.006 0.000 0.631 440 A CB -0.712 18.285 19.000 -0.005 0.000 0.822 440 A HN 0.455 nan 8.150 nan 0.000 0.447 441 E N -0.268 119.928 120.200 -0.007 0.000 2.038 441 E HA -0.190 4.160 4.350 0.000 0.000 0.195 441 E C 2.018 178.612 176.600 -0.010 0.000 1.000 441 E CA 1.348 57.744 56.400 -0.008 0.000 0.803 441 E CB -0.215 29.480 29.700 -0.008 0.000 0.750 441 E HN 0.636 nan 8.360 nan 0.000 0.448 442 L N -0.086 121.130 121.223 -0.012 0.000 2.017 442 L HA -0.186 4.154 4.340 0.000 0.000 0.208 442 L C 2.841 179.703 176.870 -0.013 0.000 1.073 442 L CA 1.303 56.134 54.840 -0.015 0.000 0.745 442 L CB -0.513 41.538 42.059 -0.014 0.000 0.894 442 L HN 0.119 nan 8.230 nan 0.000 0.432 443 R N 0.210 120.705 120.500 -0.009 0.000 2.091 443 R HA -0.190 4.151 4.340 0.000 0.000 0.238 443 R C 2.639 178.933 176.300 -0.009 0.000 1.136 443 R CA 1.983 58.078 56.100 -0.008 0.000 0.959 443 R CB -0.414 29.883 30.300 -0.005 0.000 0.856 443 R HN 0.471 nan 8.270 nan 0.000 0.437 444 E N 0.693 120.888 120.200 -0.009 0.000 2.058 444 E HA -0.264 4.087 4.350 0.000 0.000 0.194 444 E C 2.125 178.719 176.600 -0.010 0.000 0.997 444 E CA 2.159 58.554 56.400 -0.008 0.000 0.801 444 E CB -0.998 28.698 29.700 -0.006 0.000 0.746 444 E HN 0.610 nan 8.360 nan 0.000 0.450 445 K N 0.614 121.006 120.400 -0.013 0.000 2.032 445 K HA 0.036 4.357 4.320 0.000 0.000 0.209 445 K C 2.351 178.939 176.600 -0.019 0.000 1.048 445 K CA 1.470 57.747 56.287 -0.016 0.000 0.927 445 K CB -0.833 31.655 32.500 -0.020 0.000 0.712 445 K HN 0.540 nan 8.250 nan 0.000 0.441 446 I N 0.530 121.088 120.570 -0.021 0.000 2.142 446 I HA -0.236 3.935 4.170 0.000 0.000 0.240 446 I C 3.035 179.141 176.117 -0.018 0.000 1.078 446 I CA 1.351 62.637 61.300 -0.023 0.000 1.343 446 I CB -0.433 37.555 38.000 -0.021 0.000 1.046 446 I HN 0.426 nan 8.210 nan 0.000 0.405 447 A N 0.388 123.200 122.820 -0.014 0.000 1.972 447 A HA -0.253 4.067 4.320 0.000 0.000 0.219 447 A C 2.630 180.207 177.584 -0.012 0.000 1.169 447 A CA 2.076 54.106 52.037 -0.012 0.000 0.635 447 A CB -0.738 18.257 19.000 -0.009 0.000 0.810 447 A HN 0.425 nan 8.150 nan 0.000 0.446 448 M N -0.036 119.557 119.600 -0.012 0.000 2.065 448 M HA -0.074 4.407 4.480 0.000 0.000 0.259 448 M C 2.168 178.459 176.300 -0.014 0.000 1.069 448 M CA 2.164 57.457 55.300 -0.011 0.000 1.110 448 M CB -1.697 30.897 32.600 -0.010 0.000 1.328 448 M HN 0.517 nan 8.290 nan 0.000 0.405 449 L N 0.614 121.827 121.223 -0.018 0.000 1.989 449 L HA -0.109 4.231 4.340 0.000 0.000 0.211 449 L C 3.137 179.994 176.870 -0.021 0.000 1.071 449 L CA 1.896 56.723 54.840 -0.021 0.000 0.749 449 L CB -1.448 40.596 42.059 -0.024 0.000 0.890 449 L HN 0.630 nan 8.230 nan 0.000 0.431 450 A N -0.066 122.742 122.820 -0.019 0.000 2.032 450 A HA -0.224 4.097 4.320 0.000 0.000 0.221 450 A C 2.492 180.066 177.584 -0.017 0.000 1.165 450 A CA 1.811 53.837 52.037 -0.018 0.000 0.645 450 A CB -0.594 18.396 19.000 -0.016 0.000 0.807 450 A HN 0.476 nan 8.150 nan 0.000 0.453 451 A N 0.582 123.392 122.820 -0.015 0.000 1.841 451 A HA -0.145 4.175 4.320 0.000 0.000 0.216 451 A C 2.076 179.649 177.584 -0.018 0.000 1.199 451 A CA 1.630 53.659 52.037 -0.013 0.000 0.621 451 A CB -0.826 18.167 19.000 -0.011 0.000 0.835 451 A HN 0.550 nan 8.150 nan 0.000 0.445 452 I N -0.359 120.196 120.570 -0.024 0.000 2.185 452 I HA -0.313 3.857 4.170 0.000 0.000 0.246 452 I C 2.284 178.373 176.117 -0.046 0.000 1.088 452 I CA 1.693 62.970 61.300 -0.037 0.000 1.347 452 I CB -0.583 37.390 38.000 -0.045 0.000 1.041 452 I HN 0.283 nan 8.210 nan 0.000 0.415 453 I N 0.643 121.190 120.570 -0.038 0.000 2.567 453 I HA -0.155 4.015 4.170 0.000 0.000 0.257 453 I C 1.700 177.799 176.117 -0.031 0.000 1.184 453 I CA 1.445 62.722 61.300 -0.038 0.000 1.451 453 I CB -0.284 37.698 38.000 -0.029 0.000 1.089 453 I HN 0.323 nan 8.210 nan 0.000 0.441 454 G N -0.778 108.008 108.800 -0.023 0.000 4.683 454 G HA2 0.340 4.300 3.960 0.000 0.000 0.273 454 G HA3 0.340 4.300 3.960 0.000 0.000 0.273 454 G C -0.089 174.807 174.900 -0.007 0.000 1.065 454 G CA 0.453 45.544 45.100 -0.014 0.000 0.837 454 G HN 0.305 nan 8.290 nan 0.000 0.526 455 D N -0.081 120.315 120.400 -0.006 0.000 2.620 455 D HA 0.345 4.985 4.640 0.000 0.000 0.260 455 D C 1.102 177.418 176.300 0.026 0.000 1.367 455 D CA 0.374 54.377 54.000 0.005 0.000 0.805 455 D CB -0.216 40.584 40.800 0.001 0.000 1.096 455 D HN 0.202 nan 8.370 nan 0.000 0.488 456 E N 0.356 120.578 120.200 0.037 0.000 2.629 456 E HA -0.390 3.961 4.350 0.000 0.000 0.258 456 E C 2.057 178.781 176.600 0.207 0.000 1.151 456 E CA 2.280 58.740 56.400 0.100 0.000 1.248 456 E CB -0.009 29.777 29.700 0.143 0.000 1.073 456 E HN 0.367 nan 8.360 nan 0.000 0.437 457 R N -1.131 119.450 120.500 0.135 0.000 2.066 457 R HA -0.050 4.290 4.340 0.000 0.000 0.232 457 R C 2.538 178.899 176.300 0.103 0.000 1.131 457 R CA 2.127 58.305 56.100 0.129 0.000 0.955 457 R CB -1.449 28.875 30.300 0.040 0.000 0.851 457 R HN 0.560 nan 8.270 nan 0.000 0.432 458 T N 1.065 115.649 114.554 0.051 0.000 2.699 458 T HA -0.211 4.139 4.350 0.000 0.000 0.268 458 T C 1.718 176.425 174.700 0.012 0.000 1.036 458 T CA 2.067 64.181 62.100 0.024 0.000 1.147 458 T CB -0.259 68.613 68.868 0.006 0.000 0.862 458 T HN 0.072 nan 8.240 nan 0.000 0.446 459 M N -0.379 119.214 119.600 -0.012 0.000 2.067 459 M HA -0.060 4.420 4.480 0.000 0.000 0.260 459 M C 2.130 178.361 176.300 -0.115 0.000 1.069 459 M CA 1.791 57.029 55.300 -0.105 0.000 1.117 459 M CB -0.734 31.737 32.600 -0.216 0.000 1.334 459 M HN 0.510 nan 8.290 nan 0.000 0.407 460 Y N 1.185 121.463 120.300 -0.035 0.000 2.274 460 Y HA -0.223 4.327 4.550 0.000 0.000 0.290 460 Y C 2.249 178.132 175.900 -0.028 0.000 1.145 460 Y CA 1.657 59.736 58.100 -0.036 0.000 1.203 460 Y CB -0.850 37.585 38.460 -0.043 0.000 0.984 460 Y HN 0.424 nan 8.280 nan 0.000 0.533 461 N N 0.095 118.867 118.700 0.119 0.000 2.084 461 N HA -0.187 4.553 4.740 0.000 0.000 0.190 461 N C 1.984 177.517 175.510 0.038 0.000 1.030 461 N CA 1.057 54.145 53.050 0.062 0.000 0.849 461 N CB -0.790 37.722 38.487 0.041 0.000 1.012 461 N HN 0.345 nan 8.380 nan 0.000 0.423 462 L N 0.425 121.658 121.223 0.016 0.000 2.079 462 L HA -0.103 4.237 4.340 0.000 0.000 0.210 462 L C 2.320 179.194 176.870 0.007 0.000 1.081 462 L CA 0.984 55.826 54.840 0.003 0.000 0.752 462 L CB -0.117 41.929 42.059 -0.021 0.000 0.896 462 L HN 0.209 nan 8.230 nan 0.000 0.433 463 M N -0.317 119.281 119.600 -0.003 0.000 2.108 463 M HA -0.291 4.190 4.480 0.000 0.000 0.261 463 M C 2.695 179.026 176.300 0.053 0.000 1.066 463 M CA 2.540 57.846 55.300 0.009 0.000 1.107 463 M CB -0.350 32.251 32.600 0.000 0.000 1.356 463 M HN 0.298 nan 8.290 nan 0.000 0.406 464 K N 0.709 121.146 120.400 0.061 0.000 2.002 464 K HA -0.169 4.151 4.320 0.000 0.000 0.209 464 K C 2.095 178.729 176.600 0.055 0.000 1.048 464 K CA 2.466 58.789 56.287 0.059 0.000 0.930 464 K CB -1.686 30.843 32.500 0.050 0.000 0.714 464 K HN 0.546 nan 8.250 nan 0.000 0.438 465 K N 1.604 122.033 120.400 0.048 0.000 1.991 465 K HA -0.218 4.102 4.320 0.000 0.000 0.212 465 K C 2.239 178.877 176.600 0.064 0.000 1.049 465 K CA 2.046 58.362 56.287 0.049 0.000 0.932 465 K CB -0.984 31.540 32.500 0.039 0.000 0.717 465 K HN 0.804 nan 8.250 nan 0.000 0.441 466 E N 0.174 120.413 120.200 0.065 0.000 2.085 466 E HA -0.133 4.217 4.350 0.000 0.000 0.194 466 E C 2.542 179.211 176.600 0.115 0.000 0.994 466 E CA 1.517 57.970 56.400 0.088 0.000 0.801 466 E CB -0.743 29.000 29.700 0.072 0.000 0.743 466 E HN 0.465 nan 8.360 nan 0.000 0.453 467 L N 1.415 122.701 121.223 0.106 0.000 2.046 467 L HA -0.107 4.233 4.340 0.000 0.000 0.208 467 L C 2.496 179.423 176.870 0.095 0.000 1.077 467 L CA 2.022 56.932 54.840 0.117 0.000 0.747 467 L CB -1.376 40.751 42.059 0.114 0.000 0.896 467 L HN 0.072 nan 8.230 nan 0.000 0.432 468 R N 0.008 120.555 120.500 0.079 0.000 2.073 468 R HA -0.140 4.200 4.340 0.000 0.000 0.234 468 R C 2.466 178.813 176.300 0.077 0.000 1.134 468 R CA 1.682 57.824 56.100 0.069 0.000 0.952 468 R CB -0.804 29.532 30.300 0.059 0.000 0.850 468 R HN 0.787 nan 8.270 nan 0.000 0.433 469 E N 0.910 121.164 120.200 0.090 0.000 2.160 469 E HA -0.124 4.226 4.350 0.000 0.000 0.195 469 E C 2.113 178.792 176.600 0.133 0.000 0.991 469 E CA 1.619 58.082 56.400 0.105 0.000 0.810 469 E CB -0.776 28.993 29.700 0.114 0.000 0.742 469 E HN 0.166 nan 8.360 nan 0.000 0.466 470 V N 0.775 120.776 119.914 0.146 0.000 2.323 470 V HA -0.115 4.005 4.120 0.000 0.000 0.244 470 V C 3.092 179.245 176.094 0.098 0.000 1.041 470 V CA 2.584 64.962 62.300 0.129 0.000 1.025 470 V CB -0.572 31.308 31.823 0.094 0.000 0.656 470 V HN 0.749 nan 8.190 nan 0.000 0.451 471 K N 0.445 120.886 120.400 0.069 0.000 2.074 471 K HA -0.280 4.040 4.320 0.000 0.000 0.209 471 K C 2.278 178.906 176.600 0.047 0.000 1.048 471 K CA 2.532 58.848 56.287 0.048 0.000 0.926 471 K CB -1.245 31.283 32.500 0.047 0.000 0.713 471 K HN 0.619 nan 8.250 nan 0.000 0.444 472 K N 1.031 121.459 120.400 0.047 0.000 1.973 472 K HA -0.139 4.182 4.320 0.000 0.000 0.212 472 K C 2.427 179.019 176.600 -0.013 0.000 1.047 472 K CA 2.319 58.619 56.287 0.022 0.000 0.937 472 K CB -1.255 31.261 32.500 0.026 0.000 0.721 472 K HN 0.475 nan 8.250 nan 0.000 0.440 473 K N -0.430 119.957 120.400 -0.020 0.000 2.001 473 K HA -0.071 4.249 4.320 0.000 0.000 0.214 473 K C 1.983 178.380 176.600 -0.338 0.000 1.050 473 K CA 2.066 58.237 56.287 -0.193 0.000 0.934 473 K CB -0.817 31.539 32.500 -0.240 0.000 0.718 473 K HN 0.598 nan 8.250 nan 0.000 0.443 474 F N 0.696 120.519 119.950 -0.211 0.000 2.692 474 F HA 0.430 4.957 4.527 0.000 0.000 0.303 474 F C 1.022 176.721 175.800 -0.167 0.000 1.114 474 F CA -0.174 57.686 58.000 -0.234 0.000 1.361 474 F CB -0.256 38.513 39.000 -0.386 0.000 1.063 474 F HN 0.168 nan 8.300 nan 0.000 0.550 475 A N 0.578 123.404 122.820 0.010 0.000 2.498 475 A HA 0.488 4.808 4.320 0.000 0.000 0.239 475 A C 0.348 177.925 177.584 -0.012 0.000 1.068 475 A CA 0.411 52.449 52.037 0.001 0.000 0.766 475 A CB -0.051 18.949 19.000 0.001 0.000 1.003 475 A HN 0.229 nan 8.150 nan 0.000 0.497 476 T N 2.906 117.457 114.554 -0.005 0.000 2.982 476 T HA 0.564 4.914 4.350 0.000 0.000 0.321 476 T C -2.860 171.840 174.700 -0.001 0.000 1.229 476 T CA -0.749 61.348 62.100 -0.006 0.000 1.044 476 T CB 1.413 70.279 68.868 -0.003 0.000 1.184 476 T HN 0.524 nan 8.240 nan 0.000 0.477 477 P HA 0.242 nan 4.420 nan 0.000 0.271 477 P C 0.098 177.399 177.300 0.002 0.000 1.238 477 P CA -0.576 62.525 63.100 0.002 0.000 0.794 477 P CB 0.554 32.256 31.700 0.003 0.000 0.959 478 R N -0.417 120.083 120.500 0.000 0.000 2.738 478 R HA 0.339 4.680 4.340 0.000 0.000 0.268 478 R C 0.986 177.287 176.300 0.002 0.000 1.062 478 R CA 0.151 56.249 56.100 -0.004 0.000 1.158 478 R CB -0.063 30.232 30.300 -0.008 0.000 1.046 478 R HN 0.387 nan 8.270 nan 0.000 0.493 479 L N 0.207 121.432 121.223 0.002 0.000 2.694 479 L HA 0.359 4.700 4.340 0.000 0.000 0.228 479 L C 1.202 178.088 176.870 0.026 0.000 1.048 479 L CA 1.093 55.944 54.840 0.020 0.000 0.887 479 L CB -1.183 40.895 42.059 0.032 0.000 1.265 479 L HN 0.774 nan 8.230 nan 0.000 0.492 480 S N 0.400 116.106 115.700 0.010 0.000 2.586 480 S HA 0.641 5.111 4.470 0.000 0.000 0.274 480 S C 0.508 175.106 174.600 -0.003 0.000 1.281 480 S CA 0.078 58.287 58.200 0.015 0.000 1.035 480 S CB 0.250 63.438 63.200 -0.020 0.000 0.962 480 S HN 1.379 nan 8.310 nan 0.000 0.512 481 S N 1.517 117.223 115.700 0.010 0.000 2.568 481 S HA 0.838 5.308 4.470 0.000 0.000 0.302 481 S C -0.824 173.776 174.600 0.000 0.000 1.082 481 S CA -0.718 57.484 58.200 0.004 0.000 1.009 481 S CB 0.727 63.936 63.200 0.014 0.000 1.069 481 S HN 0.592 nan 8.310 nan 0.000 0.500 482 L N 1.476 122.695 121.223 -0.006 0.000 2.333 482 L HA 0.850 5.190 4.340 0.000 0.000 0.280 482 L C 0.437 177.305 176.870 -0.004 0.000 1.004 482 L CA -0.355 54.479 54.840 -0.010 0.000 0.820 482 L CB 1.152 43.198 42.059 -0.021 0.000 1.247 482 L HN 1.027 nan 8.230 nan 0.000 0.416 483 E N 0.000 120.201 120.200 0.001 0.000 2.725 483 E HA 0.000 4.350 4.350 0.000 0.000 0.291 483 E CA 0.000 56.404 56.400 0.006 0.000 0.976 483 E CB 0.000 29.711 29.700 0.019 0.000 0.812 483 E HN 0.000 nan 8.360 nan 0.000 0.440