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 1dvm_1_B DATA FIRST_RESID 4 DATA SEQUENCE PPSYVAHLAS DFGVRVFQQV AQASKDRNVV FSPYGVASVL AMLQLTTGGE DATA SEQUENCE TQQQIQAAMG FKIDDKGMAP ALRHLYKELM GPWNKDEIST TDAIFVQRDL DATA SEQUENCE KLVQGFMPHF FRLFRSTVKQ VDFSEVERAR FIINDWVKTH TKGMISHLLG DATA SEQUENCE TGAVQQLTRL VLVNALYFNG QWKTPFPDSS THRRLFHKSD GSTVSVPMMA DATA SEQUENCE QTNKFNYTEF TTPDGHYYDI LELPYHGDTL SMFIAAPYEK EVPLSALTNI DATA SEQUENCE LSAQLISHWK GNMTRLPRLL VLPKFSLETE VDLRKPLENL GMTDMFRQFQ DATA SEQUENCE ADFTSLSDQE PLHVALALQK VKIEVNESGT VAXXXXXXXX XXXMAPEEII DATA SEQUENCE IDRPFLFVVR HNPTGTVLFM GQVMEP 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.359 177.300 0.098 0.000 1.155 4 P CA 0.000 63.152 63.100 0.086 0.000 0.800 4 P CB 0.000 31.750 31.700 0.084 0.000 0.726 5 P HA -0.184 nan 4.420 nan 0.000 0.217 5 P C 1.526 178.889 177.300 0.105 0.000 1.148 5 P CA 1.664 64.847 63.100 0.139 0.000 0.828 5 P CB 0.254 32.111 31.700 0.262 0.000 0.783 6 S N -2.371 113.391 115.700 0.103 0.000 2.406 6 S HA -0.134 4.339 4.470 0.004 0.000 0.224 6 S C 1.918 176.596 174.600 0.130 0.000 1.030 6 S CA 0.299 58.555 58.200 0.094 0.000 0.958 6 S CB -0.964 62.278 63.200 0.069 0.000 0.811 6 S HN 0.023 nan 8.310 nan 0.000 0.489 7 Y N 2.905 123.204 120.300 -0.001 0.000 2.089 7 Y HA -0.082 4.470 4.550 0.004 0.000 0.282 7 Y C 2.123 178.005 175.900 -0.030 0.000 1.139 7 Y CA 1.790 59.885 58.100 -0.008 0.000 1.123 7 Y CB -0.972 37.465 38.460 -0.038 0.000 0.980 7 Y HN 0.126 nan 8.280 nan 0.000 0.493 8 V N 0.933 120.633 119.914 -0.356 0.000 2.490 8 V HA -0.244 3.879 4.120 0.004 0.000 0.250 8 V C 2.730 178.662 176.094 -0.270 0.000 1.061 8 V CA 1.604 63.569 62.300 -0.559 0.000 1.064 8 V CB -1.943 29.637 31.823 -0.405 0.000 0.670 8 V HN 0.528 nan 8.190 nan 0.000 0.461 9 A N -0.269 122.511 122.820 -0.066 0.000 2.019 9 A HA -0.258 4.065 4.320 0.004 0.000 0.219 9 A C 2.134 179.745 177.584 0.046 0.000 1.164 9 A CA 2.130 54.185 52.037 0.031 0.000 0.644 9 A CB -0.710 18.332 19.000 0.071 0.000 0.805 9 A HN 0.715 nan 8.150 nan 0.000 0.449 10 H N -0.157 118.871 119.070 -0.070 0.000 2.343 10 H HA 0.114 4.672 4.556 0.004 0.000 0.303 10 H C 1.729 177.027 175.328 -0.050 0.000 1.068 10 H CA 1.688 57.714 56.048 -0.038 0.000 1.359 10 H CB -0.261 29.503 29.762 0.004 0.000 1.402 10 H HN 0.335 nan 8.280 nan 0.000 0.515 11 L N -0.168 120.903 121.223 -0.254 0.000 1.989 11 L HA -0.168 4.175 4.340 0.004 0.000 0.211 11 L C 2.848 179.686 176.870 -0.053 0.000 1.071 11 L CA 1.249 55.943 54.840 -0.244 0.000 0.749 11 L CB -0.821 40.958 42.059 -0.466 0.000 0.890 11 L HN 0.401 nan 8.230 nan 0.000 0.431 12 A N -0.544 122.250 122.820 -0.044 0.000 1.908 12 A HA -0.215 4.108 4.320 0.004 0.000 0.218 12 A C 2.508 180.190 177.584 0.164 0.000 1.181 12 A CA 2.320 54.438 52.037 0.136 0.000 0.627 12 A CB -0.668 18.410 19.000 0.129 0.000 0.818 12 A HN 0.409 nan 8.150 nan 0.000 0.445 13 S N -0.538 115.202 115.700 0.065 0.000 2.357 13 S HA -0.129 4.344 4.470 0.004 0.000 0.221 13 S C 1.794 176.389 174.600 -0.008 0.000 1.031 13 S CA 1.328 59.551 58.200 0.038 0.000 0.982 13 S CB -0.437 62.771 63.200 0.014 0.000 0.853 13 S HN 0.723 nan 8.310 nan 0.000 0.458 14 D N 0.750 121.088 120.400 -0.103 0.000 2.092 14 D HA -0.138 4.505 4.640 0.004 0.000 0.193 14 D C 1.708 178.022 176.300 0.023 0.000 0.994 14 D CA 1.096 55.026 54.000 -0.117 0.000 0.828 14 D CB -0.257 40.365 40.800 -0.296 0.000 0.963 14 D HN 0.275 nan 8.370 nan 0.000 0.450 15 F N 0.799 120.724 119.950 -0.041 0.000 2.069 15 F HA -0.046 4.483 4.527 0.005 0.000 0.298 15 F C 2.161 177.995 175.800 0.057 0.000 1.113 15 F CA 2.282 60.294 58.000 0.019 0.000 1.214 15 F CB -0.849 38.184 39.000 0.055 0.000 0.978 15 F HN 0.019 nan 8.300 nan 0.000 0.474 16 G N 0.315 109.110 108.800 -0.008 0.000 2.514 16 G HA2 -0.266 3.697 3.960 0.004 0.000 0.217 16 G HA3 -0.266 3.697 3.960 0.004 0.000 0.217 16 G C 1.779 176.670 174.900 -0.015 0.000 1.198 16 G CA 1.592 46.680 45.100 -0.021 0.000 0.780 16 G HN 0.366 nan 8.290 nan 0.000 0.565 17 V N 0.574 120.487 119.914 -0.003 0.000 2.392 17 V HA -0.201 3.922 4.120 0.004 0.000 0.249 17 V C 2.826 178.902 176.094 -0.030 0.000 1.059 17 V CA 2.247 64.550 62.300 0.005 0.000 1.051 17 V CB -0.506 31.297 31.823 -0.033 0.000 0.658 17 V HN 0.332 nan 8.190 nan 0.000 0.455 18 R N -0.530 119.913 120.500 -0.095 0.000 2.096 18 R HA -0.111 4.231 4.340 0.004 0.000 0.235 18 R C 2.113 178.284 176.300 -0.215 0.000 1.127 18 R CA 1.344 57.370 56.100 -0.123 0.000 0.968 18 R CB -0.236 30.014 30.300 -0.082 0.000 0.861 18 R HN 0.427 nan 8.270 nan 0.000 0.440 19 V N 0.134 119.849 119.914 -0.333 0.000 2.407 19 V HA -0.172 3.950 4.120 0.004 0.000 0.245 19 V C 1.790 177.575 176.094 -0.515 0.000 1.041 19 V CA 1.463 63.531 62.300 -0.386 0.000 1.040 19 V CB -0.553 31.030 31.823 -0.399 0.000 0.671 19 V HN 0.294 nan 8.190 nan 0.000 0.455 20 F N 1.518 121.057 119.950 -0.686 0.000 2.095 20 F HA -0.264 4.265 4.527 0.004 0.000 0.298 20 F C 2.491 177.996 175.800 -0.492 0.000 1.104 20 F CA 2.067 59.539 58.000 -0.880 0.000 1.232 20 F CB -0.478 38.211 39.000 -0.518 0.000 0.987 20 F HN 0.148 nan 8.300 nan 0.000 0.475 21 Q N -0.381 119.163 119.800 -0.427 0.000 2.248 21 Q HA -0.303 4.039 4.340 0.004 0.000 0.208 21 Q C 2.148 177.889 176.000 -0.432 0.000 0.984 21 Q CA 1.875 57.435 55.803 -0.405 0.000 0.875 21 Q CB -0.329 28.323 28.738 -0.142 0.000 0.910 21 Q HN 0.496 nan 8.270 nan 0.000 0.433 22 Q N -0.066 119.497 119.800 -0.396 0.000 2.083 22 Q HA -0.100 4.242 4.340 0.004 0.000 0.198 22 Q C 2.029 177.823 176.000 -0.344 0.000 0.969 22 Q CA 1.247 56.869 55.803 -0.301 0.000 0.838 22 Q CB -0.137 28.462 28.738 -0.232 0.000 0.900 22 Q HN 0.380 nan 8.270 nan 0.000 0.436 23 V N -0.445 119.183 119.914 -0.478 0.000 2.427 23 V HA -0.113 4.010 4.120 0.004 0.000 0.248 23 V C 1.845 177.663 176.094 -0.459 0.000 1.051 23 V CA 1.951 63.997 62.300 -0.423 0.000 1.048 23 V CB -0.723 30.837 31.823 -0.439 0.000 0.666 23 V HN 0.329 nan 8.190 nan 0.000 0.456 24 A N -0.571 121.811 122.820 -0.731 0.000 1.902 24 A HA -0.262 4.060 4.320 0.004 0.000 0.217 24 A C 2.263 179.647 177.584 -0.334 0.000 1.181 24 A CA 1.925 53.594 52.037 -0.613 0.000 0.623 24 A CB -0.787 17.680 19.000 -0.889 0.000 0.818 24 A HN 0.696 nan 8.150 nan 0.000 0.443 25 Q N -1.286 118.328 119.800 -0.311 0.000 2.561 25 Q HA 0.008 4.351 4.340 0.004 0.000 0.217 25 Q C 1.457 177.366 176.000 -0.153 0.000 0.980 25 Q CA 0.932 56.619 55.803 -0.193 0.000 0.927 25 Q CB -0.152 28.480 28.738 -0.177 0.000 0.980 25 Q HN 0.682 nan 8.270 nan 0.000 0.525 26 A N -1.448 121.270 122.820 -0.171 0.000 2.140 26 A HA 0.188 4.511 4.320 0.004 0.000 0.199 26 A C 1.101 178.620 177.584 -0.107 0.000 1.416 26 A CA -0.118 51.844 52.037 -0.124 0.000 1.018 26 A CB 0.664 19.590 19.000 -0.122 0.000 1.117 26 A HN 0.137 nan 8.150 nan 0.000 0.480 27 S N 1.960 117.582 115.700 -0.131 0.000 2.481 27 S HA 0.201 4.674 4.470 0.004 0.000 0.243 27 S C -0.003 174.550 174.600 -0.079 0.000 1.152 27 S CA -0.550 57.594 58.200 -0.093 0.000 1.168 27 S CB -0.336 62.811 63.200 -0.088 0.000 0.835 27 S HN 0.585 nan 8.310 nan 0.000 0.474 28 K N 1.004 121.360 120.400 -0.073 0.000 2.138 28 K HA 0.340 4.663 4.320 0.004 0.000 0.251 28 K C -0.210 176.374 176.600 -0.027 0.000 1.015 28 K CA -0.666 55.590 56.287 -0.051 0.000 0.917 28 K CB 0.305 32.777 32.500 -0.047 0.000 1.021 28 K HN -0.076 nan 8.250 nan 0.000 0.485 29 D N -0.852 119.541 120.400 -0.011 0.000 3.028 29 D HA -0.137 4.505 4.640 0.004 0.000 0.207 29 D C -0.580 175.721 176.300 0.001 0.000 1.100 29 D CA 1.230 55.233 54.000 0.005 0.000 0.995 29 D CB -0.366 40.437 40.800 0.005 0.000 1.108 29 D HN 0.398 nan 8.370 nan 0.000 0.421 30 R N 0.364 120.857 120.500 -0.012 0.000 2.673 30 R HA 0.392 4.734 4.340 0.004 0.000 0.281 30 R C -0.451 175.838 176.300 -0.019 0.000 0.991 30 R CA -0.803 55.288 56.100 -0.014 0.000 0.896 30 R CB 0.914 31.207 30.300 -0.013 0.000 1.201 30 R HN -0.120 nan 8.270 nan 0.000 0.457 31 N N 0.259 118.944 118.700 -0.024 0.000 2.395 31 N HA 0.211 4.953 4.740 0.004 0.000 0.246 31 N C -0.818 174.713 175.510 0.034 0.000 1.246 31 N CA 0.242 53.279 53.050 -0.022 0.000 0.879 31 N CB 0.565 39.032 38.487 -0.032 0.000 1.098 31 N HN 0.178 nan 8.380 nan 0.000 0.444 32 V N 1.089 121.050 119.914 0.079 0.000 2.852 32 V HA 0.344 4.466 4.120 0.004 0.000 0.300 32 V C -0.548 175.697 176.094 0.252 0.000 1.205 32 V CA -0.796 61.601 62.300 0.162 0.000 0.940 32 V CB 2.140 34.047 31.823 0.141 0.000 1.047 32 V HN 0.308 nan 8.190 nan 0.000 0.429 33 V N 4.435 124.539 119.914 0.318 0.000 2.914 33 V HA 0.782 4.904 4.120 0.004 0.000 0.314 33 V C -0.960 175.417 176.094 0.471 0.000 1.084 33 V CA -0.672 61.850 62.300 0.370 0.000 0.963 33 V CB 2.171 34.250 31.823 0.426 0.000 1.025 33 V HN 0.767 nan 8.190 nan 0.000 0.432 34 F N 1.299 121.379 119.950 0.217 0.000 2.719 34 F HA 0.571 5.100 4.527 0.004 0.000 0.309 34 F C -0.536 175.329 175.800 0.108 0.000 1.138 34 F CA -0.322 57.799 58.000 0.202 0.000 0.943 34 F CB 2.128 41.330 39.000 0.337 0.000 1.304 34 F HN 0.370 nan 8.300 nan 0.000 0.445 35 S N 4.999 120.467 115.700 -0.387 0.000 2.577 35 S HA 0.432 4.905 4.470 0.004 0.000 0.294 35 S C -2.309 172.156 174.600 -0.226 0.000 1.161 35 S CA -1.555 56.430 58.200 -0.357 0.000 1.143 35 S CB 1.131 64.050 63.200 -0.467 0.000 0.991 35 S HN 0.407 nan 8.310 nan 0.000 0.475 36 P HA -0.155 nan 4.420 nan 0.000 0.216 36 P C 0.928 178.297 177.300 0.116 0.000 1.153 36 P CA 0.962 64.172 63.100 0.184 0.000 0.858 36 P CB -0.052 31.718 31.700 0.117 0.000 0.789 37 Y N 0.354 120.608 120.300 -0.076 0.000 2.181 37 Y HA -0.102 4.450 4.550 0.004 0.000 0.288 37 Y C 2.332 178.206 175.900 -0.043 0.000 1.146 37 Y CA 1.974 60.043 58.100 -0.052 0.000 1.164 37 Y CB -1.101 37.291 38.460 -0.113 0.000 0.982 37 Y HN -0.152 nan 8.280 nan 0.000 0.515 38 G N -0.164 108.521 108.800 -0.191 0.000 2.453 38 G HA2 -0.301 3.662 3.960 0.004 0.000 0.215 38 G HA3 -0.301 3.662 3.960 0.004 0.000 0.215 38 G C 1.814 176.592 174.900 -0.203 0.000 1.201 38 G CA 1.358 46.302 45.100 -0.260 0.000 0.784 38 G HN 0.416 nan 8.290 nan 0.000 0.545 39 V N 1.492 121.311 119.914 -0.158 0.000 2.332 39 V HA -0.097 4.025 4.120 0.004 0.000 0.248 39 V C 3.188 179.375 176.094 0.155 0.000 1.055 39 V CA 2.756 65.056 62.300 0.000 0.000 1.038 39 V CB -0.749 31.132 31.823 0.097 0.000 0.651 39 V HN 0.461 nan 8.190 nan 0.000 0.450 40 A N -1.233 121.715 122.820 0.214 0.000 1.933 40 A HA -0.200 4.122 4.320 0.004 0.000 0.218 40 A C 2.529 180.153 177.584 0.067 0.000 1.175 40 A CA 2.241 54.495 52.037 0.362 0.000 0.628 40 A CB -0.929 18.320 19.000 0.416 0.000 0.814 40 A HN 0.601 nan 8.150 nan 0.000 0.444 41 S N -0.321 115.294 115.700 -0.143 0.000 2.348 41 S HA -0.155 4.317 4.470 0.004 0.000 0.221 41 S C 2.022 176.502 174.600 -0.199 0.000 1.033 41 S CA 2.088 60.133 58.200 -0.259 0.000 1.010 41 S CB -0.700 62.181 63.200 -0.532 0.000 0.891 41 S HN 0.812 nan 8.310 nan 0.000 0.442 42 V N 0.428 120.250 119.914 -0.154 0.000 2.548 42 V HA 0.014 4.137 4.120 0.004 0.000 0.249 42 V C 2.307 178.343 176.094 -0.096 0.000 1.055 42 V CA 0.967 63.185 62.300 -0.137 0.000 1.065 42 V CB -0.982 30.798 31.823 -0.073 0.000 0.681 42 V HN 0.380 nan 8.190 nan 0.000 0.462 43 L N 0.725 121.933 121.223 -0.026 0.000 2.201 43 L HA -0.001 4.341 4.340 0.004 0.000 0.212 43 L C 2.838 179.631 176.870 -0.128 0.000 1.105 43 L CA 2.151 56.974 54.840 -0.028 0.000 0.775 43 L CB -1.504 40.597 42.059 0.071 0.000 0.913 43 L HN 0.492 nan 8.230 nan 0.000 0.440 44 A N -0.700 122.037 122.820 -0.139 0.000 1.929 44 A HA -0.178 4.145 4.320 0.004 0.000 0.216 44 A C 2.297 179.833 177.584 -0.081 0.000 1.176 44 A CA 1.189 53.150 52.037 -0.128 0.000 0.628 44 A CB -0.254 18.769 19.000 0.038 0.000 0.816 44 A HN 0.331 nan 8.150 nan 0.000 0.444 45 M N -1.313 118.099 119.600 -0.314 0.000 2.175 45 M HA -0.048 4.435 4.480 0.004 0.000 0.264 45 M C 2.006 178.293 176.300 -0.022 0.000 1.063 45 M CA 0.992 55.945 55.300 -0.577 0.000 1.119 45 M CB -0.262 31.868 32.600 -0.784 0.000 1.377 45 M HN 0.397 nan 8.290 nan 0.000 0.415 46 L N 0.555 121.771 121.223 -0.011 0.000 2.275 46 L HA -0.157 4.185 4.340 0.004 0.000 0.215 46 L C 2.210 179.115 176.870 0.058 0.000 1.119 46 L CA 1.743 56.630 54.840 0.079 0.000 0.790 46 L CB -0.515 41.569 42.059 0.043 0.000 0.919 46 L HN 0.310 nan 8.230 nan 0.000 0.443 47 Q N -1.478 118.313 119.800 -0.015 0.000 2.364 47 Q HA -0.168 4.174 4.340 0.004 0.000 0.209 47 Q C 1.822 177.842 176.000 0.034 0.000 0.977 47 Q CA 0.825 56.593 55.803 -0.057 0.000 0.885 47 Q CB -0.008 28.645 28.738 -0.142 0.000 0.941 47 Q HN 0.375 nan 8.270 nan 0.000 0.464 48 L N -0.269 121.049 121.223 0.159 0.000 2.446 48 L HA -0.058 4.285 4.340 0.004 0.000 0.219 48 L C 2.320 179.471 176.870 0.468 0.000 1.116 48 L CA 1.473 56.476 54.840 0.272 0.000 0.844 48 L CB -0.086 42.166 42.059 0.320 0.000 0.970 48 L HN 0.251 nan 8.230 nan 0.000 0.457 49 T N -4.946 109.836 114.554 0.381 0.000 3.010 49 T HA 0.034 4.387 4.350 0.004 0.000 0.252 49 T C 1.165 175.928 174.700 0.105 0.000 1.047 49 T CA 0.577 62.847 62.100 0.283 0.000 1.140 49 T CB -0.762 68.293 68.868 0.312 0.000 0.885 49 T HN 0.355 nan 8.240 nan 0.000 0.464 50 T N -0.194 114.304 114.554 -0.093 0.000 2.652 50 T HA 0.573 4.925 4.350 0.004 0.000 0.319 50 T C 0.626 175.201 174.700 -0.208 0.000 1.029 50 T CA -0.061 61.789 62.100 -0.417 0.000 0.990 50 T CB 0.599 69.181 68.868 -0.476 0.000 1.098 50 T HN 0.860 nan 8.240 nan 0.000 0.520 51 G N -2.513 106.142 108.800 -0.243 0.000 2.495 51 G HA2 0.612 4.575 3.960 0.004 0.000 0.294 51 G HA3 0.612 4.575 3.960 0.004 0.000 0.294 51 G C 0.172 174.994 174.900 -0.130 0.000 1.397 51 G CA -0.041 44.982 45.100 -0.128 0.000 0.790 51 G HN 1.648 nan 8.290 nan 0.000 0.486 52 G N -0.017 108.736 108.800 -0.079 0.000 2.614 52 G HA2 -0.329 3.633 3.960 0.004 0.000 0.303 52 G HA3 -0.329 3.633 3.960 0.004 0.000 0.303 52 G C 1.156 176.010 174.900 -0.077 0.000 1.270 52 G CA 1.548 46.609 45.100 -0.065 0.000 0.988 52 G HN 1.357 nan 8.290 nan 0.000 0.551 53 E N 0.085 120.243 120.200 -0.069 0.000 2.274 53 E HA -0.045 4.307 4.350 0.004 0.000 0.194 53 E C 2.731 179.274 176.600 -0.095 0.000 0.996 53 E CA 1.966 58.327 56.400 -0.065 0.000 0.840 53 E CB -0.266 29.409 29.700 -0.041 0.000 0.772 53 E HN 0.696 nan 8.360 nan 0.000 0.491 54 T N -0.846 113.623 114.554 -0.141 0.000 2.821 54 T HA -0.253 4.100 4.350 0.004 0.000 0.267 54 T C 1.984 176.550 174.700 -0.223 0.000 1.046 54 T CA 1.355 63.330 62.100 -0.207 0.000 1.139 54 T CB -0.362 68.302 68.868 -0.340 0.000 0.871 54 T HN 0.388 nan 8.240 nan 0.000 0.454 55 Q N 0.306 119.979 119.800 -0.211 0.000 2.187 55 Q HA -0.017 4.326 4.340 0.004 0.000 0.199 55 Q C 2.336 178.249 176.000 -0.145 0.000 0.957 55 Q CA 0.654 56.345 55.803 -0.187 0.000 0.857 55 Q CB -0.305 28.339 28.738 -0.157 0.000 0.929 55 Q HN 0.276 nan 8.270 nan 0.000 0.453 56 Q N 0.835 120.568 119.800 -0.112 0.000 2.291 56 Q HA -0.095 4.248 4.340 0.004 0.000 0.205 56 Q C 1.815 177.768 176.000 -0.079 0.000 0.970 56 Q CA 1.312 57.064 55.803 -0.085 0.000 0.876 56 Q CB 0.079 28.781 28.738 -0.060 0.000 0.935 56 Q HN 0.638 nan 8.270 nan 0.000 0.455 57 Q N -0.390 119.359 119.800 -0.084 0.000 2.096 57 Q HA 0.007 4.349 4.340 0.004 0.000 0.197 57 Q C 2.161 178.118 176.000 -0.071 0.000 0.964 57 Q CA 0.663 56.431 55.803 -0.058 0.000 0.838 57 Q CB 0.128 28.837 28.738 -0.048 0.000 0.906 57 Q HN 0.364 nan 8.270 nan 0.000 0.444 58 I N 0.850 121.348 120.570 -0.120 0.000 2.113 58 I HA -0.306 3.867 4.170 0.004 0.000 0.238 58 I C 2.269 178.244 176.117 -0.235 0.000 1.070 58 I CA 1.351 62.549 61.300 -0.169 0.000 1.332 58 I CB -0.502 37.374 38.000 -0.206 0.000 1.044 58 I HN 0.213 nan 8.210 nan 0.000 0.402 59 Q N 0.758 120.420 119.800 -0.230 0.000 2.248 59 Q HA -0.214 4.128 4.340 0.004 0.000 0.208 59 Q C 2.339 178.244 176.000 -0.158 0.000 0.984 59 Q CA 1.685 57.341 55.803 -0.244 0.000 0.875 59 Q CB -0.289 28.336 28.738 -0.187 0.000 0.910 59 Q HN 0.623 nan 8.270 nan 0.000 0.433 60 A N 0.818 123.577 122.820 -0.101 0.000 1.874 60 A HA 0.058 4.380 4.320 0.004 0.000 0.214 60 A C 2.233 179.805 177.584 -0.020 0.000 1.189 60 A CA 1.187 53.199 52.037 -0.042 0.000 0.615 60 A CB -0.542 18.445 19.000 -0.020 0.000 0.830 60 A HN 0.361 nan 8.150 nan 0.000 0.443 61 A N -0.985 121.822 122.820 -0.022 0.000 2.119 61 A HA 0.112 4.434 4.320 0.004 0.000 0.217 61 A C 2.046 179.628 177.584 -0.004 0.000 1.153 61 A CA 1.354 53.434 52.037 0.071 0.000 0.692 61 A CB -0.446 18.667 19.000 0.187 0.000 0.799 61 A HN 0.511 nan 8.150 nan 0.000 0.458 62 M N -2.181 117.258 119.600 -0.268 0.000 2.492 62 M HA 0.177 4.659 4.480 0.004 0.000 0.255 62 M C 1.651 177.947 176.300 -0.007 0.000 1.139 62 M CA 0.819 55.871 55.300 -0.413 0.000 1.096 62 M CB 0.362 32.500 32.600 -0.770 0.000 1.360 62 M HN 0.582 nan 8.290 nan 0.000 0.480 63 G N 1.785 110.592 108.800 0.011 0.000 2.304 63 G HA2 -0.313 3.650 3.960 0.004 0.000 0.252 63 G HA3 -0.313 3.650 3.960 0.004 0.000 0.252 63 G C 0.080 175.102 174.900 0.203 0.000 1.014 63 G CA 0.711 45.883 45.100 0.121 0.000 0.619 63 G HN 0.524 nan 8.290 nan 0.000 0.525 64 F N -0.705 119.190 119.950 -0.091 0.000 2.664 64 F HA 0.895 5.425 4.527 0.004 0.000 0.329 64 F C -0.491 175.265 175.800 -0.074 0.000 1.090 64 F CA -2.473 55.489 58.000 -0.063 0.000 0.978 64 F CB 1.027 39.974 39.000 -0.088 0.000 1.378 64 F HN -0.013 nan 8.300 nan 0.000 0.495 65 K N 1.793 122.161 120.400 -0.053 0.000 2.358 65 K HA 0.379 4.702 4.320 0.004 0.000 0.260 65 K C 0.226 176.801 176.600 -0.041 0.000 0.956 65 K CA -0.705 55.487 56.287 -0.158 0.000 0.834 65 K CB 2.657 35.131 32.500 -0.044 0.000 1.102 65 K HN 0.722 nan 8.250 nan 0.000 0.431 66 I N 2.030 122.503 120.570 -0.163 0.000 2.335 66 I HA -0.253 3.919 4.170 0.004 0.000 0.251 66 I C 1.173 177.272 176.117 -0.029 0.000 1.129 66 I CA 1.823 63.112 61.300 -0.019 0.000 1.402 66 I CB 0.013 37.995 38.000 -0.031 0.000 1.069 66 I HN 0.670 nan 8.210 nan 0.000 0.424 67 D N 0.514 120.898 120.400 -0.026 0.000 2.363 67 D HA -0.057 4.586 4.640 0.004 0.000 0.220 67 D C 0.308 176.624 176.300 0.027 0.000 0.994 67 D CA 0.330 54.334 54.000 0.007 0.000 0.890 67 D CB -0.162 40.670 40.800 0.053 0.000 0.906 67 D HN 0.398 nan 8.370 nan 0.000 0.530 68 D N 1.106 121.533 120.400 0.044 0.000 2.368 68 D HA 0.042 4.685 4.640 0.004 0.000 0.240 68 D C 0.584 176.910 176.300 0.043 0.000 1.169 68 D CA 0.211 54.245 54.000 0.056 0.000 0.906 68 D CB 0.941 41.799 40.800 0.097 0.000 1.187 68 D HN -0.089 nan 8.370 nan 0.000 0.435 69 K N 0.276 120.696 120.400 0.033 0.000 2.412 69 K HA 0.280 4.603 4.320 0.004 0.000 0.281 69 K C 1.120 177.733 176.600 0.023 0.000 1.027 69 K CA 0.375 56.672 56.287 0.017 0.000 0.989 69 K CB 0.642 33.148 32.500 0.010 0.000 0.935 69 K HN 0.662 nan 8.250 nan 0.000 0.475 70 G N 2.477 111.280 108.800 0.003 0.000 2.234 70 G HA2 -0.298 3.665 3.960 0.004 0.000 0.260 70 G HA3 -0.298 3.665 3.960 0.004 0.000 0.260 70 G C 0.952 175.858 174.900 0.011 0.000 0.987 70 G CA 0.196 45.298 45.100 0.004 0.000 0.625 70 G HN 0.481 nan 8.290 nan 0.000 0.532 71 M N 0.561 120.176 119.600 0.026 0.000 2.077 71 M HA 0.161 4.644 4.480 0.004 0.000 0.261 71 M C 3.039 179.338 176.300 -0.002 0.000 1.070 71 M CA 2.333 57.651 55.300 0.030 0.000 1.125 71 M CB -1.561 31.127 32.600 0.147 0.000 1.339 71 M HN 0.626 nan 8.290 nan 0.000 0.409 72 A N 0.549 123.332 122.820 -0.063 0.000 1.877 72 A HA -0.087 4.236 4.320 0.004 0.000 0.216 72 A C -0.281 177.226 177.584 -0.128 0.000 1.186 72 A CA 1.394 53.319 52.037 -0.187 0.000 0.620 72 A CB -2.048 16.700 19.000 -0.420 0.000 0.822 72 A HN 0.309 nan 8.150 nan 0.000 0.443 73 P HA -0.106 nan 4.420 nan 0.000 0.218 73 P C 1.652 178.967 177.300 0.024 0.000 1.148 73 P CA 1.785 64.860 63.100 -0.041 0.000 0.822 73 P CB -0.050 31.626 31.700 -0.040 0.000 0.784 74 A N -0.821 122.013 122.820 0.024 0.000 1.930 74 A HA -0.126 4.197 4.320 0.004 0.000 0.217 74 A C 2.121 179.778 177.584 0.121 0.000 1.175 74 A CA 1.276 53.355 52.037 0.069 0.000 0.627 74 A CB -1.546 17.471 19.000 0.029 0.000 0.815 74 A HN 0.125 nan 8.150 nan 0.000 0.443 75 L N -1.533 119.741 121.223 0.084 0.000 2.156 75 L HA -0.075 4.267 4.340 0.004 0.000 0.208 75 L C 2.768 179.746 176.870 0.179 0.000 1.095 75 L CA 1.029 55.952 54.840 0.138 0.000 0.770 75 L CB -0.307 41.829 42.059 0.129 0.000 0.914 75 L HN 0.314 nan 8.230 nan 0.000 0.439 76 R N -1.076 119.497 120.500 0.122 0.000 2.073 76 R HA -0.178 4.164 4.340 0.004 0.000 0.229 76 R C 2.368 178.793 176.300 0.208 0.000 1.120 76 R CA 1.280 57.464 56.100 0.139 0.000 0.967 76 R CB -0.227 30.099 30.300 0.044 0.000 0.862 76 R HN 0.319 nan 8.270 nan 0.000 0.436 77 H N 0.031 119.156 119.070 0.091 0.000 2.326 77 H HA -0.101 4.457 4.556 0.004 0.000 0.301 77 H C 1.765 177.148 175.328 0.091 0.000 1.081 77 H CA 1.625 57.721 56.048 0.079 0.000 1.334 77 H CB -0.126 29.666 29.762 0.049 0.000 1.385 77 H HN 0.107 nan 8.280 nan 0.000 0.504 78 L N -0.189 121.098 121.223 0.107 0.000 2.042 78 L HA -0.166 4.176 4.340 0.004 0.000 0.210 78 L C 2.133 179.014 176.870 0.018 0.000 1.076 78 L CA 1.977 56.842 54.840 0.041 0.000 0.749 78 L CB -1.254 40.894 42.059 0.148 0.000 0.893 78 L HN 0.427 nan 8.230 nan 0.000 0.432 79 Y N 0.472 120.805 120.300 0.055 0.000 2.145 79 Y HA -0.219 4.333 4.550 0.004 0.000 0.286 79 Y C 2.341 178.255 175.900 0.024 0.000 1.145 79 Y CA 2.019 60.179 58.100 0.100 0.000 1.148 79 Y CB -0.179 38.376 38.460 0.158 0.000 0.981 79 Y HN 0.174 nan 8.280 nan 0.000 0.507 80 K N 0.019 120.395 120.400 -0.040 0.000 2.439 80 K HA -0.134 4.189 4.320 0.004 0.000 0.197 80 K C 1.801 178.316 176.600 -0.142 0.000 1.041 80 K CA 1.060 57.280 56.287 -0.112 0.000 0.970 80 K CB 0.010 32.524 32.500 0.025 0.000 0.773 80 K HN 0.463 nan 8.250 nan 0.000 0.479 81 E N 0.432 120.492 120.200 -0.233 0.000 2.318 81 E HA -0.002 4.351 4.350 0.004 0.000 0.193 81 E C 1.523 177.991 176.600 -0.221 0.000 0.998 81 E CA 0.193 56.448 56.400 -0.241 0.000 0.859 81 E CB 0.349 29.849 29.700 -0.333 0.000 0.812 81 E HN 0.186 nan 8.360 nan 0.000 0.492 82 L N 0.101 121.179 121.223 -0.241 0.000 2.357 82 L HA 0.166 4.509 4.340 0.004 0.000 0.211 82 L C 0.584 177.549 176.870 0.159 0.000 1.075 82 L CA 0.158 54.906 54.840 -0.153 0.000 0.830 82 L CB 0.320 42.147 42.059 -0.386 0.000 0.996 82 L HN 0.122 nan 8.230 nan 0.000 0.467 83 M N 0.482 120.003 119.600 -0.131 0.000 2.101 83 M HA 0.558 5.040 4.480 0.004 0.000 0.340 83 M C 0.102 176.319 176.300 -0.139 0.000 1.057 83 M CA 0.010 55.166 55.300 -0.240 0.000 0.984 83 M CB 0.574 32.834 32.600 -0.566 0.000 1.560 83 M HN 0.085 nan 8.290 nan 0.000 0.435 84 G N 3.957 112.606 108.800 -0.252 0.000 2.325 84 G HA2 0.346 4.309 3.960 0.004 0.000 0.295 84 G HA3 0.346 4.309 3.960 0.004 0.000 0.295 84 G C -2.920 171.799 174.900 -0.301 0.000 1.274 84 G CA -0.619 44.380 45.100 -0.167 0.000 0.857 84 G HN 0.293 nan 8.290 nan 0.000 0.499 85 P HA -0.053 nan 4.420 nan 0.000 0.217 85 P C 1.846 179.109 177.300 -0.061 0.000 1.148 85 P CA 2.018 65.075 63.100 -0.071 0.000 0.828 85 P CB -0.040 31.674 31.700 0.023 0.000 0.783 86 W N 0.113 121.430 121.300 0.029 0.000 2.350 86 W HA -0.082 4.581 4.660 0.004 0.000 0.289 86 W C 0.120 176.708 176.519 0.114 0.000 1.215 86 W CA 0.386 57.761 57.345 0.050 0.000 1.236 86 W CB -1.762 27.703 29.460 0.008 0.000 1.130 86 W HN -0.024 nan 8.180 nan 0.000 0.541 87 N N 2.523 120.466 118.700 -1.262 0.000 2.448 87 N HA 0.041 4.783 4.740 0.004 0.000 0.250 87 N C -0.216 175.017 175.510 -0.461 0.000 1.136 87 N CA 0.028 52.341 53.050 -1.228 0.000 0.953 87 N CB 0.332 37.890 38.487 -1.549 0.000 1.251 87 N HN -0.033 nan 8.380 nan 0.000 0.502 88 K N 2.771 123.043 120.400 -0.213 0.000 2.989 88 K HA -0.020 4.302 4.320 0.004 0.000 0.264 88 K C -0.570 175.911 176.600 -0.199 0.000 1.228 88 K CA -0.057 56.123 56.287 -0.179 0.000 1.186 88 K CB -0.252 32.124 32.500 -0.208 0.000 1.409 88 K HN 0.606 nan 8.250 nan 0.000 0.271 89 D N 1.272 121.549 120.400 -0.205 0.000 2.708 89 D HA -0.176 4.467 4.640 0.004 0.000 0.236 89 D C 0.345 176.561 176.300 -0.141 0.000 1.146 89 D CA 1.072 54.982 54.000 -0.151 0.000 0.662 89 D CB -0.636 40.098 40.800 -0.110 0.000 1.059 89 D HN 0.570 nan 8.370 nan 0.000 0.428 90 E N -0.801 119.276 120.200 -0.205 0.000 2.127 90 E HA 0.081 4.433 4.350 0.004 0.000 0.191 90 E C 1.066 177.561 176.600 -0.174 0.000 0.964 90 E CA 0.059 56.277 56.400 -0.304 0.000 0.832 90 E CB 0.635 30.140 29.700 -0.326 0.000 0.790 90 E HN 0.314 nan 8.360 nan 0.000 0.465 91 I N -0.236 120.343 120.570 0.015 0.000 2.607 91 I HA 0.311 4.484 4.170 0.004 0.000 0.305 91 I C -1.095 175.112 176.117 0.149 0.000 0.995 91 I CA -0.546 60.870 61.300 0.194 0.000 1.148 91 I CB 2.168 40.317 38.000 0.247 0.000 1.323 91 I HN -0.262 nan 8.210 nan 0.000 0.461 92 S N 2.965 118.813 115.700 0.246 0.000 2.626 92 S HA 0.621 5.093 4.470 0.004 0.000 0.275 92 S C -0.988 173.771 174.600 0.264 0.000 1.175 92 S CA -0.506 57.822 58.200 0.213 0.000 0.982 92 S CB 1.078 64.407 63.200 0.215 0.000 1.093 92 S HN 0.890 nan 8.310 nan 0.000 0.472 93 T N 0.336 115.041 114.554 0.252 0.000 2.903 93 T HA 0.863 5.215 4.350 0.004 0.000 0.299 93 T C -0.742 174.120 174.700 0.270 0.000 1.093 93 T CA -0.559 61.706 62.100 0.276 0.000 1.002 93 T CB 2.176 71.242 68.868 0.331 0.000 1.127 93 T HN 0.480 nan 8.240 nan 0.000 0.488 94 T N 0.996 115.687 114.554 0.228 0.000 2.932 94 T HA 0.534 4.886 4.350 0.004 0.000 0.318 94 T C -2.280 172.526 174.700 0.176 0.000 1.265 94 T CA -0.648 61.593 62.100 0.236 0.000 1.036 94 T CB 1.553 70.586 68.868 0.276 0.000 1.209 94 T HN 0.784 nan 8.240 nan 0.000 0.484 95 D N 1.874 122.359 120.400 0.140 0.000 2.787 95 D HA 0.642 5.285 4.640 0.004 0.000 0.246 95 D C -0.986 175.277 176.300 -0.063 0.000 1.150 95 D CA -0.453 53.555 54.000 0.014 0.000 0.864 95 D CB 2.093 42.839 40.800 -0.090 0.000 1.481 95 D HN 0.730 nan 8.370 nan 0.000 0.509 96 A N 2.260 124.982 122.820 -0.164 0.000 2.455 96 A HA 0.689 5.012 4.320 0.004 0.000 0.300 96 A C -1.077 176.247 177.584 -0.433 0.000 1.040 96 A CA -0.664 51.063 52.037 -0.517 0.000 0.697 96 A CB 1.202 19.757 19.000 -0.742 0.000 1.265 96 A HN 0.523 nan 8.150 nan 0.000 0.407 97 I N 2.202 122.400 120.570 -0.619 0.000 2.410 97 I HA 0.401 4.573 4.170 0.004 0.000 0.286 97 I C -1.392 174.383 176.117 -0.570 0.000 1.009 97 I CA -0.207 60.855 61.300 -0.396 0.000 1.111 97 I CB 1.378 39.208 38.000 -0.283 0.000 1.262 97 I HN 0.553 nan 8.210 nan 0.000 0.443 98 F N 5.849 125.702 119.950 -0.162 0.000 2.443 98 F HA 0.641 5.171 4.527 0.005 0.000 0.335 98 F C 0.085 175.870 175.800 -0.025 0.000 1.104 98 F CA -0.830 57.102 58.000 -0.114 0.000 1.013 98 F CB 1.869 40.846 39.000 -0.038 0.000 1.136 98 F HN 0.094 nan 8.300 nan 0.000 0.470 99 V N 2.841 122.822 119.914 0.112 0.000 2.876 99 V HA 0.396 4.519 4.120 0.004 0.000 0.312 99 V C -0.856 175.317 176.094 0.131 0.000 1.085 99 V CA -0.891 61.462 62.300 0.088 0.000 0.945 99 V CB 2.062 33.830 31.823 -0.090 0.000 1.017 99 V HN 0.716 nan 8.190 nan 0.000 0.428 100 Q N 3.548 123.474 119.800 0.211 0.000 2.320 100 Q HA -0.024 4.318 4.340 0.004 0.000 0.311 100 Q C 1.260 177.269 176.000 0.015 0.000 1.083 100 Q CA 1.278 57.179 55.803 0.164 0.000 1.001 100 Q CB 0.280 29.111 28.738 0.155 0.000 1.074 100 Q HN 0.678 nan 8.270 nan 0.000 0.379 101 R N 3.065 123.540 120.500 -0.042 0.000 2.139 101 R HA -0.209 4.134 4.340 0.004 0.000 0.243 101 R C 0.308 176.590 176.300 -0.029 0.000 1.145 101 R CA 2.091 58.161 56.100 -0.051 0.000 0.976 101 R CB 0.243 30.500 30.300 -0.073 0.000 0.866 101 R HN 0.720 nan 8.270 nan 0.000 0.449 102 D N -0.165 120.227 120.400 -0.015 0.000 2.367 102 D HA 0.046 4.689 4.640 0.004 0.000 0.207 102 D C -0.271 176.023 176.300 -0.010 0.000 1.034 102 D CA 0.089 54.083 54.000 -0.010 0.000 0.861 102 D CB 0.127 40.924 40.800 -0.005 0.000 0.943 102 D HN 0.118 nan 8.370 nan 0.000 0.515 103 L N 0.104 121.319 121.223 -0.013 0.000 2.453 103 L HA 0.301 4.643 4.340 0.004 0.000 0.272 103 L C -0.022 176.832 176.870 -0.028 0.000 1.182 103 L CA -1.072 53.756 54.840 -0.020 0.000 0.858 103 L CB -0.215 41.827 42.059 -0.028 0.000 1.120 103 L HN -0.310 nan 8.230 nan 0.000 0.474 104 K N 3.062 123.450 120.400 -0.020 0.000 2.412 104 K HA 0.495 4.818 4.320 0.004 0.000 0.281 104 K C -0.574 176.008 176.600 -0.031 0.000 1.027 104 K CA -0.270 56.007 56.287 -0.016 0.000 0.989 104 K CB 0.064 32.561 32.500 -0.004 0.000 0.935 104 K HN 0.399 nan 8.250 nan 0.000 0.475 105 L N 2.251 123.459 121.223 -0.024 0.000 2.360 105 L HA 0.304 4.646 4.340 0.004 0.000 0.271 105 L C -0.310 176.570 176.870 0.016 0.000 1.057 105 L CA -0.871 53.944 54.840 -0.042 0.000 0.803 105 L CB 1.534 43.587 42.059 -0.011 0.000 1.207 105 L HN 0.435 nan 8.230 nan 0.000 0.445 106 V N 2.217 122.145 119.914 0.022 0.000 2.585 106 V HA 0.033 4.156 4.120 0.004 0.000 0.296 106 V C 0.648 176.827 176.094 0.142 0.000 1.035 106 V CA -0.516 61.830 62.300 0.078 0.000 1.084 106 V CB 0.407 32.283 31.823 0.088 0.000 0.953 106 V HN 0.696 nan 8.190 nan 0.000 0.483 107 Q N 2.581 122.442 119.800 0.102 0.000 2.304 107 Q HA 0.138 4.481 4.340 0.004 0.000 0.315 107 Q C 1.397 177.473 176.000 0.127 0.000 1.075 107 Q CA 1.238 57.100 55.803 0.098 0.000 0.988 107 Q CB 0.248 29.024 28.738 0.062 0.000 1.146 107 Q HN 1.192 nan 8.270 nan 0.000 0.383 108 G N 2.890 111.766 108.800 0.126 0.000 2.234 108 G HA2 -0.373 3.590 3.960 0.004 0.000 0.260 108 G HA3 -0.373 3.590 3.960 0.004 0.000 0.260 108 G C 0.322 175.336 174.900 0.189 0.000 0.987 108 G CA 0.459 45.633 45.100 0.123 0.000 0.625 108 G HN 0.724 nan 8.290 nan 0.000 0.532 109 F N 1.412 121.441 119.950 0.131 0.000 2.046 109 F HA -0.041 4.489 4.527 0.005 0.000 0.297 109 F C 2.759 178.679 175.800 0.201 0.000 1.123 109 F CA 2.775 60.878 58.000 0.173 0.000 1.199 109 F CB -0.241 38.823 39.000 0.106 0.000 0.972 109 F HN 0.159 nan 8.300 nan 0.000 0.474 110 M N 0.444 120.119 119.600 0.125 0.000 2.073 110 M HA -0.158 4.325 4.480 0.004 0.000 0.258 110 M C -0.237 176.100 176.300 0.061 0.000 1.070 110 M CA 2.023 57.348 55.300 0.042 0.000 1.103 110 M CB -2.853 29.821 32.600 0.124 0.000 1.321 110 M HN 0.089 nan 8.290 nan 0.000 0.405 111 P HA -0.145 nan 4.420 nan 0.000 0.214 111 P C 1.624 179.042 177.300 0.196 0.000 1.162 111 P CA 1.455 64.646 63.100 0.151 0.000 0.879 111 P CB -0.292 31.473 31.700 0.108 0.000 0.786 112 H N -1.155 117.914 119.070 -0.001 0.000 2.353 112 H HA -0.172 4.387 4.556 0.004 0.000 0.298 112 H C 1.807 177.089 175.328 -0.077 0.000 1.103 112 H CA 1.507 57.526 56.048 -0.049 0.000 1.293 112 H CB -1.229 28.495 29.762 -0.063 0.000 1.372 112 H HN 0.026 nan 8.280 nan 0.000 0.501 113 F N -0.346 119.404 119.950 -0.333 0.000 2.146 113 F HA -0.136 4.393 4.527 0.004 0.000 0.298 113 F C 2.249 178.027 175.800 -0.036 0.000 1.096 113 F CA 1.357 59.176 58.000 -0.301 0.000 1.275 113 F CB -0.719 37.952 39.000 -0.549 0.000 1.008 113 F HN 0.208 nan 8.300 nan 0.000 0.480 114 F N 1.049 121.088 119.950 0.149 0.000 2.234 114 F HA -0.080 4.448 4.527 0.003 0.000 0.299 114 F C 2.567 178.369 175.800 0.003 0.000 1.087 114 F CA 1.673 59.743 58.000 0.117 0.000 1.340 114 F CB -0.545 38.516 39.000 0.102 0.000 1.031 114 F HN -0.088 nan 8.300 nan 0.000 0.500 115 R N 0.615 121.075 120.500 -0.066 0.000 2.061 115 R HA -0.122 4.220 4.340 0.004 0.000 0.230 115 R C 2.080 178.181 176.300 -0.332 0.000 1.140 115 R CA 2.172 58.176 56.100 -0.159 0.000 0.940 115 R CB -0.596 29.710 30.300 0.011 0.000 0.839 115 R HN 0.422 nan 8.270 nan 0.000 0.429 116 L N -0.416 120.535 121.223 -0.453 0.000 2.376 116 L HA 0.008 4.350 4.340 0.004 0.000 0.219 116 L C 1.011 177.298 176.870 -0.972 0.000 1.133 116 L CA 0.686 55.086 54.840 -0.733 0.000 0.816 116 L CB -0.042 41.414 42.059 -1.005 0.000 0.933 116 L HN 0.203 nan 8.230 nan 0.000 0.449 117 F N -1.396 118.266 119.950 -0.479 0.000 2.798 117 F HA 0.276 4.806 4.527 0.005 0.000 0.328 117 F C 0.934 176.477 175.800 -0.429 0.000 1.098 117 F CA -0.678 57.035 58.000 -0.479 0.000 1.172 117 F CB 0.213 38.793 39.000 -0.700 0.000 1.072 117 F HN -0.220 nan 8.300 nan 0.000 0.555 118 R N 0.679 120.898 120.500 -0.469 0.000 3.932 118 R HA -0.219 4.124 4.340 0.004 0.000 0.318 118 R C -0.288 175.814 176.300 -0.330 0.000 1.219 118 R CA 0.784 56.468 56.100 -0.693 0.000 0.889 118 R CB -2.245 27.860 30.300 -0.326 0.000 1.309 118 R HN 0.447 nan 8.270 nan 0.000 0.537 119 S N -3.377 112.307 115.700 -0.028 0.000 2.651 119 S HA 0.799 5.272 4.470 0.004 0.000 0.279 119 S C -0.170 174.741 174.600 0.518 0.000 1.148 119 S CA -0.280 58.103 58.200 0.305 0.000 0.837 119 S CB 2.691 66.002 63.200 0.184 0.000 1.138 119 S HN 0.276 nan 8.310 nan 0.000 0.478 120 T N -1.852 112.922 114.554 0.368 0.000 2.912 120 T HA 0.706 5.058 4.350 0.004 0.000 0.288 120 T C -0.197 174.390 174.700 -0.189 0.000 1.030 120 T CA -0.792 61.423 62.100 0.191 0.000 1.020 120 T CB 1.380 70.308 68.868 0.099 0.000 1.056 120 T HN 0.859 nan 8.240 nan 0.000 0.480 121 V N 2.091 121.699 119.914 -0.510 0.000 2.811 121 V HA 0.368 4.490 4.120 0.004 0.000 0.302 121 V C -0.350 175.475 176.094 -0.449 0.000 1.063 121 V CA -0.346 61.583 62.300 -0.618 0.000 1.088 121 V CB 0.567 32.027 31.823 -0.604 0.000 0.982 121 V HN 0.827 nan 8.190 nan 0.000 0.485 122 K N 5.417 125.464 120.400 -0.589 0.000 2.185 122 K HA 0.438 4.760 4.320 0.004 0.000 0.269 122 K C -0.643 175.820 176.600 -0.228 0.000 0.987 122 K CA -0.172 55.823 56.287 -0.487 0.000 0.865 122 K CB 1.372 33.350 32.500 -0.870 0.000 1.090 122 K HN 0.672 nan 8.250 nan 0.000 0.450 123 Q N 1.548 121.274 119.800 -0.124 0.000 2.398 123 Q HA 0.343 4.686 4.340 0.004 0.000 0.251 123 Q C -0.702 175.254 176.000 -0.072 0.000 0.999 123 Q CA -0.648 55.109 55.803 -0.077 0.000 0.874 123 Q CB 1.822 30.519 28.738 -0.068 0.000 1.215 123 Q HN 0.349 nan 8.270 nan 0.000 0.470 124 V N 2.235 122.066 119.914 -0.139 0.000 2.680 124 V HA 0.344 4.467 4.120 0.004 0.000 0.309 124 V C -1.217 174.593 176.094 -0.473 0.000 1.052 124 V CA -0.798 61.330 62.300 -0.288 0.000 0.908 124 V CB 2.211 33.812 31.823 -0.371 0.000 1.001 124 V HN 0.684 nan 8.190 nan 0.000 0.431 125 D N 4.325 124.525 120.400 -0.333 0.000 2.325 125 D HA 0.259 4.901 4.640 0.004 0.000 0.251 125 D C 0.313 176.422 176.300 -0.319 0.000 1.196 125 D CA 0.054 53.910 54.000 -0.240 0.000 0.866 125 D CB 0.773 41.508 40.800 -0.109 0.000 1.101 125 D HN 0.464 nan 8.370 nan 0.000 0.476 126 F N 1.788 121.718 119.950 -0.034 0.000 2.811 126 F HA 0.035 4.565 4.527 0.004 0.000 0.301 126 F C 2.383 178.165 175.800 -0.031 0.000 1.151 126 F CA -0.004 57.971 58.000 -0.041 0.000 1.412 126 F CB -0.019 38.948 39.000 -0.054 0.000 1.113 126 F HN 0.315 nan 8.300 nan 0.000 0.579 127 S N -0.697 115.058 115.700 0.091 0.000 2.355 127 S HA -0.185 4.288 4.470 0.004 0.000 0.222 127 S C 1.056 175.677 174.600 0.035 0.000 1.031 127 S CA 0.912 59.145 58.200 0.055 0.000 0.993 127 S CB -0.272 62.943 63.200 0.026 0.000 0.859 127 S HN 0.234 nan 8.310 nan 0.000 0.453 128 E N 1.715 121.920 120.200 0.008 0.000 1.852 128 E HA 0.214 4.567 4.350 0.004 0.000 0.276 128 E C 0.810 177.417 176.600 0.011 0.000 1.163 128 E CA -0.199 56.200 56.400 -0.002 0.000 1.117 128 E CB -0.060 29.627 29.700 -0.023 0.000 1.124 128 E HN 0.045 nan 8.360 nan 0.000 0.458 129 V N 2.339 122.276 119.914 0.039 0.000 2.250 129 V HA -0.333 3.789 4.120 0.004 0.000 0.250 129 V C 2.106 178.228 176.094 0.047 0.000 1.060 129 V CA 2.214 64.552 62.300 0.063 0.000 1.030 129 V CB -0.391 31.465 31.823 0.055 0.000 0.643 129 V HN 0.544 nan 8.190 nan 0.000 0.445 130 E N -0.210 120.008 120.200 0.030 0.000 2.150 130 E HA -0.177 4.175 4.350 0.004 0.000 0.193 130 E C 2.392 179.024 176.600 0.055 0.000 0.985 130 E CA 1.085 57.506 56.400 0.036 0.000 0.814 130 E CB -0.248 29.461 29.700 0.015 0.000 0.752 130 E HN 0.381 nan 8.360 nan 0.000 0.466 131 R N -0.436 120.080 120.500 0.026 0.000 2.073 131 R HA -0.013 4.329 4.340 0.004 0.000 0.229 131 R C 2.081 178.406 176.300 0.042 0.000 1.120 131 R CA 1.115 57.243 56.100 0.046 0.000 0.967 131 R CB -0.258 30.040 30.300 -0.003 0.000 0.862 131 R HN 0.226 nan 8.270 nan 0.000 0.436 132 A N 1.052 123.848 122.820 -0.039 0.000 1.972 132 A HA -0.161 4.162 4.320 0.004 0.000 0.219 132 A C 2.149 179.670 177.584 -0.106 0.000 1.169 132 A CA 1.224 53.167 52.037 -0.156 0.000 0.635 132 A CB -0.323 18.585 19.000 -0.153 0.000 0.810 132 A HN 0.313 nan 8.150 nan 0.000 0.446 133 R N -2.240 118.262 120.500 0.003 0.000 2.075 133 R HA 0.022 4.364 4.340 0.004 0.000 0.226 133 R C 2.023 178.336 176.300 0.022 0.000 1.114 133 R CA 1.280 57.386 56.100 0.010 0.000 0.972 133 R CB -0.445 29.887 30.300 0.053 0.000 0.869 133 R HN 0.583 nan 8.270 nan 0.000 0.437 134 F N 1.866 121.786 119.950 -0.050 0.000 2.075 134 F HA -0.171 4.358 4.527 0.004 0.000 0.297 134 F C 2.003 177.792 175.800 -0.020 0.000 1.113 134 F CA 1.413 59.400 58.000 -0.021 0.000 1.218 134 F CB -0.260 38.733 39.000 -0.012 0.000 0.984 134 F HN -0.126 nan 8.300 nan 0.000 0.472 135 I N 0.274 120.841 120.570 -0.004 0.000 2.185 135 I HA -0.378 3.795 4.170 0.004 0.000 0.246 135 I C 2.379 178.382 176.117 -0.189 0.000 1.088 135 I CA 1.749 63.002 61.300 -0.078 0.000 1.347 135 I CB -0.534 37.445 38.000 -0.034 0.000 1.041 135 I HN 0.248 nan 8.210 nan 0.000 0.415 136 I N 0.403 120.738 120.570 -0.392 0.000 2.133 136 I HA -0.282 3.891 4.170 0.004 0.000 0.238 136 I C 2.226 178.285 176.117 -0.097 0.000 1.074 136 I CA 1.466 62.483 61.300 -0.472 0.000 1.342 136 I CB -0.600 37.072 38.000 -0.547 0.000 1.053 136 I HN 0.282 nan 8.210 nan 0.000 0.404 137 N N 0.630 119.255 118.700 -0.125 0.000 2.223 137 N HA -0.237 4.506 4.740 0.004 0.000 0.185 137 N C 1.333 176.768 175.510 -0.123 0.000 1.016 137 N CA 1.729 54.739 53.050 -0.067 0.000 0.863 137 N CB -0.293 38.171 38.487 -0.038 0.000 0.983 137 N HN 0.399 nan 8.380 nan 0.000 0.429 138 D N 0.215 120.410 120.400 -0.341 0.000 2.269 138 D HA -0.128 4.515 4.640 0.004 0.000 0.208 138 D C 1.758 178.035 176.300 -0.038 0.000 0.963 138 D CA 0.502 54.270 54.000 -0.387 0.000 0.864 138 D CB 0.043 40.290 40.800 -0.922 0.000 0.936 138 D HN 0.325 nan 8.370 nan 0.000 0.505 139 W N 0.604 121.880 121.300 -0.040 0.000 2.441 139 W HA -0.118 4.544 4.660 0.004 0.000 0.302 139 W C 1.544 178.162 176.519 0.166 0.000 1.191 139 W CA 0.686 58.105 57.345 0.124 0.000 1.327 139 W CB -0.443 29.116 29.460 0.164 0.000 1.128 139 W HN -0.148 nan 8.180 nan 0.000 0.522 140 V N 1.955 122.052 119.914 0.304 0.000 2.332 140 V HA -0.349 3.774 4.120 0.004 0.000 0.248 140 V C 2.566 178.704 176.094 0.073 0.000 1.055 140 V CA 2.581 65.001 62.300 0.200 0.000 1.038 140 V CB -1.146 30.780 31.823 0.171 0.000 0.651 140 V HN 0.144 nan 8.190 nan 0.000 0.450 141 K N -0.136 120.280 120.400 0.027 0.000 2.025 141 K HA -0.179 4.144 4.320 0.004 0.000 0.207 141 K C 2.172 178.731 176.600 -0.069 0.000 1.049 141 K CA 1.971 58.245 56.287 -0.022 0.000 0.933 141 K CB -0.346 32.135 32.500 -0.031 0.000 0.714 141 K HN 0.468 nan 8.250 nan 0.000 0.438 142 T N 0.165 114.663 114.554 -0.093 0.000 2.833 142 T HA -0.101 4.251 4.350 0.004 0.000 0.269 142 T C 0.842 175.307 174.700 -0.392 0.000 1.054 142 T CA 1.448 63.419 62.100 -0.214 0.000 1.135 142 T CB -0.222 68.510 68.868 -0.227 0.000 0.869 142 T HN 0.412 nan 8.240 nan 0.000 0.466 143 H N 0.100 118.968 119.070 -0.336 0.000 2.551 143 H HA 0.221 4.779 4.556 0.004 0.000 0.271 143 H C 1.727 176.991 175.328 -0.107 0.000 0.984 143 H CA 0.765 56.641 56.048 -0.288 0.000 1.164 143 H CB 0.298 29.781 29.762 -0.465 0.000 1.437 143 H HN 0.348 nan 8.280 nan 0.000 0.550 144 T N -2.067 112.482 114.554 -0.009 0.000 3.200 144 T HA 0.159 4.512 4.350 0.004 0.000 0.284 144 T C 0.307 174.959 174.700 -0.079 0.000 1.009 144 T CA -0.711 61.397 62.100 0.014 0.000 0.907 144 T CB -0.125 68.774 68.868 0.052 0.000 1.120 144 T HN 0.170 nan 8.240 nan 0.000 0.534 145 K N 1.230 121.563 120.400 -0.111 0.000 3.150 145 K HA -0.201 4.122 4.320 0.004 0.000 0.267 145 K C 1.249 177.756 176.600 -0.155 0.000 1.028 145 K CA 0.338 56.542 56.287 -0.138 0.000 0.753 145 K CB -2.238 30.184 32.500 -0.130 0.000 1.288 145 K HN 0.946 nan 8.250 nan 0.000 0.473 146 G N -0.060 108.663 108.800 -0.128 0.000 2.257 146 G HA2 -0.421 3.541 3.960 0.004 0.000 0.267 146 G HA3 -0.421 3.541 3.960 0.004 0.000 0.267 146 G C 0.923 175.736 174.900 -0.145 0.000 0.984 146 G CA 0.644 45.676 45.100 -0.113 0.000 0.626 146 G HN 0.256 nan 8.290 nan 0.000 0.540 147 M N -0.247 119.209 119.600 -0.241 0.000 2.213 147 M HA 0.243 4.726 4.480 0.004 0.000 0.263 147 M C 1.427 177.627 176.300 -0.166 0.000 1.062 147 M CA 0.905 55.981 55.300 -0.372 0.000 1.105 147 M CB -0.547 31.539 32.600 -0.857 0.000 1.385 147 M HN 0.389 nan 8.290 nan 0.000 0.417 148 I N 0.377 120.902 120.570 -0.075 0.000 2.466 148 I HA 0.088 4.261 4.170 0.004 0.000 0.279 148 I C 0.636 176.749 176.117 -0.007 0.000 1.033 148 I CA -0.250 61.034 61.300 -0.025 0.000 1.123 148 I CB 1.401 39.416 38.000 0.024 0.000 1.237 148 I HN 0.070 nan 8.210 nan 0.000 0.460 149 S N 3.917 119.634 115.700 0.029 0.000 2.535 149 S HA 0.186 4.659 4.470 0.004 0.000 0.214 149 S C 0.324 175.032 174.600 0.180 0.000 0.980 149 S CA 0.007 58.264 58.200 0.095 0.000 0.907 149 S CB -0.142 63.132 63.200 0.123 0.000 0.790 149 S HN 0.727 nan 8.310 nan 0.000 0.510 150 H N -1.193 117.886 119.070 0.015 0.000 3.037 150 H HA 0.663 5.221 4.556 0.004 0.000 0.336 150 H C -2.303 173.045 175.328 0.033 0.000 1.323 150 H CA -1.236 54.823 56.048 0.019 0.000 1.159 150 H CB 0.565 30.339 29.762 0.020 0.000 1.882 150 H HN 0.073 nan 8.280 nan 0.000 0.535 151 L N 2.579 123.846 121.223 0.074 0.000 2.406 151 L HA 0.250 4.593 4.340 0.004 0.000 0.270 151 L C 1.329 178.249 176.870 0.084 0.000 0.982 151 L CA -0.358 54.499 54.840 0.029 0.000 0.843 151 L CB 1.780 43.859 42.059 0.033 0.000 1.225 151 L HN 0.671 nan 8.230 nan 0.000 0.412 152 L N 2.193 123.470 121.223 0.091 0.000 2.261 152 L HA -0.116 4.226 4.340 0.004 0.000 0.216 152 L C 2.123 179.026 176.870 0.055 0.000 1.114 152 L CA 1.463 56.360 54.840 0.095 0.000 0.777 152 L CB -0.467 41.645 42.059 0.089 0.000 0.910 152 L HN 0.925 nan 8.230 nan 0.000 0.440 153 G N -0.659 108.165 108.800 0.041 0.000 2.534 153 G HA2 -0.157 3.805 3.960 0.004 0.000 0.217 153 G HA3 -0.157 3.805 3.960 0.004 0.000 0.217 153 G C 1.475 176.386 174.900 0.018 0.000 1.128 153 G CA 0.872 45.987 45.100 0.025 0.000 0.784 153 G HN 0.334 nan 8.290 nan 0.000 0.542 154 T N 0.800 115.369 114.554 0.026 0.000 3.051 154 T HA 0.017 4.369 4.350 0.004 0.000 0.269 154 T C 2.296 177.008 174.700 0.020 0.000 1.127 154 T CA 0.872 62.982 62.100 0.017 0.000 1.107 154 T CB -0.022 68.857 68.868 0.018 0.000 0.898 154 T HN 0.304 nan 8.240 nan 0.000 0.517 155 G N 0.694 109.509 108.800 0.025 0.000 2.650 155 G HA2 0.196 4.158 3.960 0.004 0.000 0.214 155 G HA3 0.196 4.158 3.960 0.004 0.000 0.214 155 G C 1.408 176.312 174.900 0.007 0.000 1.136 155 G CA 0.441 45.554 45.100 0.021 0.000 0.789 155 G HN 0.577 nan 8.290 nan 0.000 0.536 156 A N -0.121 122.697 122.820 -0.003 0.000 2.275 156 A HA 0.503 4.825 4.320 0.004 0.000 0.212 156 A C 0.816 178.377 177.584 -0.039 0.000 1.201 156 A CA -0.080 51.946 52.037 -0.019 0.000 0.843 156 A CB 0.229 19.215 19.000 -0.023 0.000 0.873 156 A HN 0.108 nan 8.150 nan 0.000 0.492 157 V N 2.316 122.213 119.914 -0.028 0.000 2.521 157 V HA 0.114 4.237 4.120 0.004 0.000 0.286 157 V C 0.138 176.220 176.094 -0.020 0.000 1.034 157 V CA 0.310 62.585 62.300 -0.042 0.000 1.045 157 V CB 0.409 32.250 31.823 0.031 0.000 0.974 157 V HN 0.657 nan 8.190 nan 0.000 0.480 158 Q N 3.302 123.064 119.800 -0.064 0.000 2.633 158 Q HA 0.354 4.697 4.340 0.004 0.000 0.292 158 Q C 0.379 176.375 176.000 -0.008 0.000 1.089 158 Q CA -0.898 54.889 55.803 -0.027 0.000 0.811 158 Q CB 1.392 30.104 28.738 -0.044 0.000 1.472 158 Q HN 0.673 nan 8.270 nan 0.000 0.464 159 Q N -0.103 119.710 119.800 0.020 0.000 2.364 159 Q HA -0.034 4.308 4.340 0.004 0.000 0.207 159 Q C 1.427 177.433 176.000 0.010 0.000 0.970 159 Q CA 1.321 57.156 55.803 0.054 0.000 0.888 159 Q CB -0.329 28.433 28.738 0.040 0.000 0.951 159 Q HN 0.491 nan 8.270 nan 0.000 0.469 160 L N 0.324 121.515 121.223 -0.053 0.000 2.270 160 L HA 0.063 4.406 4.340 0.004 0.000 0.210 160 L C 0.504 177.256 176.870 -0.196 0.000 1.104 160 L CA 0.148 54.938 54.840 -0.085 0.000 0.804 160 L CB -0.427 41.593 42.059 -0.065 0.000 0.937 160 L HN 0.094 nan 8.230 nan 0.000 0.450 161 T N 0.589 114.931 114.554 -0.353 0.000 2.946 161 T HA 0.027 4.379 4.350 0.004 0.000 0.311 161 T C 1.138 175.318 174.700 -0.868 0.000 1.063 161 T CA 0.259 61.937 62.100 -0.704 0.000 1.139 161 T CB 0.971 69.211 68.868 -1.047 0.000 0.994 161 T HN 0.241 nan 8.240 nan 0.000 0.547 162 R N 1.108 121.190 120.500 -0.697 0.000 2.573 162 R HA 0.324 4.667 4.340 0.004 0.000 0.224 162 R C -0.250 175.887 176.300 -0.271 0.000 0.904 162 R CA -0.028 55.854 56.100 -0.364 0.000 0.995 162 R CB 0.673 30.825 30.300 -0.246 0.000 1.430 162 R HN 0.447 nan 8.270 nan 0.000 0.631 163 L N 1.527 122.499 121.223 -0.418 0.000 2.476 163 L HA 0.476 4.819 4.340 0.004 0.000 0.269 163 L C -1.450 175.277 176.870 -0.238 0.000 0.965 163 L CA -0.787 53.871 54.840 -0.303 0.000 0.845 163 L CB 2.771 44.539 42.059 -0.485 0.000 1.259 163 L HN -0.242 nan 8.230 nan 0.000 0.403 164 V N 6.083 125.973 119.914 -0.040 0.000 2.656 164 V HA 0.599 4.721 4.120 0.004 0.000 0.307 164 V C -1.487 174.665 176.094 0.097 0.000 1.051 164 V CA -0.456 61.862 62.300 0.031 0.000 0.893 164 V CB 2.309 34.188 31.823 0.094 0.000 0.999 164 V HN 0.641 nan 8.190 nan 0.000 0.426 165 L N 6.852 128.116 121.223 0.068 0.000 2.333 165 L HA 0.820 5.163 4.340 0.004 0.000 0.280 165 L C -1.457 175.466 176.870 0.088 0.000 1.004 165 L CA -0.398 54.476 54.840 0.057 0.000 0.820 165 L CB 1.818 43.900 42.059 0.038 0.000 1.247 165 L HN 0.594 nan 8.230 nan 0.000 0.416 166 V N 5.203 125.171 119.914 0.091 0.000 2.656 166 V HA 0.474 4.597 4.120 0.004 0.000 0.307 166 V C -0.665 175.472 176.094 0.072 0.000 1.051 166 V CA -0.667 61.697 62.300 0.108 0.000 0.893 166 V CB 2.042 33.979 31.823 0.191 0.000 0.999 166 V HN 0.840 nan 8.190 nan 0.000 0.426 167 N N 3.064 121.801 118.700 0.061 0.000 2.480 167 N HA 0.737 5.479 4.740 0.004 0.000 0.289 167 N C -1.153 174.390 175.510 0.055 0.000 1.073 167 N CA -0.189 52.883 53.050 0.037 0.000 0.885 167 N CB 2.107 40.579 38.487 -0.024 0.000 1.421 167 N HN 0.831 nan 8.380 nan 0.000 0.503 168 A N 3.683 126.562 122.820 0.099 0.000 2.422 168 A HA 0.736 5.059 4.320 0.004 0.000 0.302 168 A C -1.221 176.464 177.584 0.168 0.000 1.041 168 A CA -0.650 51.461 52.037 0.124 0.000 0.708 168 A CB 1.053 20.135 19.000 0.136 0.000 1.257 168 A HN 0.634 nan 8.150 nan 0.000 0.414 169 L N -0.378 120.974 121.223 0.215 0.000 2.505 169 L HA 0.761 5.104 4.340 0.004 0.000 0.259 169 L C -1.253 175.866 176.870 0.415 0.000 0.952 169 L CA -0.851 54.180 54.840 0.318 0.000 0.840 169 L CB 1.647 43.899 42.059 0.322 0.000 1.358 169 L HN 0.726 nan 8.230 nan 0.000 0.409 170 Y N 2.711 123.157 120.300 0.243 0.000 2.429 170 Y HA 0.800 5.352 4.550 0.004 0.000 0.342 170 Y C -1.800 174.179 175.900 0.132 0.000 1.004 170 Y CA -1.165 57.016 58.100 0.135 0.000 1.075 170 Y CB 2.040 40.526 38.460 0.044 0.000 1.214 170 Y HN 0.614 nan 8.280 nan 0.000 0.455 171 F N 6.367 125.654 119.950 -1.105 0.000 2.573 171 F HA 0.471 5.001 4.527 0.004 0.000 0.316 171 F C -1.869 173.250 175.800 -1.134 0.000 1.148 171 F CA -0.697 56.676 58.000 -1.045 0.000 0.940 171 F CB 1.228 39.450 39.000 -1.296 0.000 1.214 171 F HN 0.605 nan 8.300 nan 0.000 0.448 172 N N 3.542 121.255 118.700 -1.645 0.000 2.258 172 N HA 0.517 5.259 4.740 0.004 0.000 0.299 172 N C 0.652 175.394 175.510 -1.279 0.000 1.047 172 N CA 0.314 52.642 53.050 -1.203 0.000 0.814 172 N CB 2.115 40.243 38.487 -0.599 0.000 1.413 172 N HN 0.894 nan 8.380 nan 0.000 0.478 173 G N 1.920 110.119 108.800 -1.001 0.000 3.955 173 G HA2 -0.304 3.659 3.960 0.004 0.000 0.508 173 G HA3 -0.304 3.659 3.960 0.004 0.000 0.508 173 G C -0.254 174.262 174.900 -0.639 0.000 0.858 173 G CA 1.700 46.278 45.100 -0.870 0.000 0.716 173 G HN 0.954 nan 8.290 nan 0.000 1.436 174 Q N -2.030 117.490 119.800 -0.467 0.000 2.408 174 Q HA -0.105 4.237 4.340 0.004 0.000 0.284 174 Q C -0.201 175.876 176.000 0.129 0.000 1.345 174 Q CA 0.736 56.428 55.803 -0.184 0.000 0.713 174 Q CB -1.784 26.798 28.738 -0.259 0.000 1.122 174 Q HN 0.573 nan 8.270 nan 0.000 0.394 175 W N 0.779 122.228 121.300 0.248 0.000 2.042 175 W HA 0.158 4.821 4.660 0.005 0.000 0.358 175 W C 1.712 178.326 176.519 0.157 0.000 1.325 175 W CA 0.229 57.671 57.345 0.162 0.000 1.311 175 W CB 0.279 29.806 29.460 0.112 0.000 1.210 175 W HN 0.351 nan 8.180 nan 0.000 0.620 176 K N -0.491 120.150 120.400 0.402 0.000 2.044 176 K HA -0.010 4.312 4.320 0.004 0.000 0.204 176 K C 0.244 176.938 176.600 0.157 0.000 1.049 176 K CA 1.126 57.562 56.287 0.248 0.000 0.945 176 K CB -0.122 32.478 32.500 0.168 0.000 0.724 176 K HN 0.337 nan 8.250 nan 0.000 0.440 177 T N 3.607 118.217 114.554 0.093 0.000 2.963 177 T HA 0.336 4.689 4.350 0.004 0.000 0.343 177 T C -2.697 171.972 174.700 -0.051 0.000 1.146 177 T CA -1.629 60.452 62.100 -0.031 0.000 1.016 177 T CB 1.613 70.376 68.868 -0.175 0.000 1.046 177 T HN 0.013 nan 8.240 nan 0.000 0.496 178 P HA 0.142 nan 4.420 nan 0.000 0.265 178 P C -0.338 176.984 177.300 0.036 0.000 1.193 178 P CA -0.369 62.848 63.100 0.194 0.000 0.765 178 P CB 0.220 32.039 31.700 0.199 0.000 0.823 179 F N 4.684 124.605 119.950 -0.048 0.000 2.538 179 F HA 0.127 4.656 4.527 0.004 0.000 0.371 179 F C -1.174 174.623 175.800 -0.005 0.000 1.087 179 F CA -1.728 56.232 58.000 -0.067 0.000 1.250 179 F CB -0.521 38.417 39.000 -0.104 0.000 1.110 179 F HN 0.240 nan 8.300 nan 0.000 0.570 180 P HA -0.073 nan 4.420 nan 0.000 0.262 180 P C 0.218 177.579 177.300 0.103 0.000 1.199 180 P CA 0.122 63.269 63.100 0.079 0.000 0.763 180 P CB 0.759 32.483 31.700 0.038 0.000 0.790 181 D N 2.236 122.686 120.400 0.084 0.000 2.228 181 D HA -0.111 4.532 4.640 0.004 0.000 0.203 181 D C 1.382 177.721 176.300 0.064 0.000 0.988 181 D CA 1.548 55.592 54.000 0.072 0.000 0.864 181 D CB -0.018 40.815 40.800 0.054 0.000 0.928 181 D HN 0.397 nan 8.370 nan 0.000 0.469 182 S N -0.336 115.399 115.700 0.059 0.000 2.527 182 S HA 0.018 4.491 4.470 0.004 0.000 0.222 182 S C 1.954 176.596 174.600 0.071 0.000 0.985 182 S CA 0.045 58.277 58.200 0.053 0.000 0.921 182 S CB 0.415 63.636 63.200 0.036 0.000 0.772 182 S HN 0.071 nan 8.310 nan 0.000 0.529 183 S N 1.294 117.051 115.700 0.095 0.000 2.501 183 S HA 0.083 4.555 4.470 0.004 0.000 0.220 183 S C 0.778 175.521 174.600 0.237 0.000 0.997 183 S CA 0.112 58.392 58.200 0.134 0.000 0.919 183 S CB -0.064 63.213 63.200 0.129 0.000 0.778 183 S HN 0.471 nan 8.310 nan 0.000 0.523 184 T N 4.058 118.710 114.554 0.164 0.000 2.928 184 T HA 0.173 4.525 4.350 0.004 0.000 0.305 184 T C 0.115 174.904 174.700 0.149 0.000 1.035 184 T CA 0.140 62.302 62.100 0.103 0.000 1.145 184 T CB 0.130 69.011 68.868 0.023 0.000 0.963 184 T HN 0.521 nan 8.240 nan 0.000 0.545 185 H N 1.139 120.226 119.070 0.028 0.000 3.199 185 H HA 0.603 5.162 4.556 0.004 0.000 0.292 185 H C -1.067 174.281 175.328 0.034 0.000 1.600 185 H CA -1.436 54.629 56.048 0.028 0.000 1.235 185 H CB 0.709 30.487 29.762 0.026 0.000 1.839 185 H HN 0.317 nan 8.280 nan 0.000 0.623 186 R N 0.768 121.339 120.500 0.118 0.000 2.280 186 R HA 0.461 4.803 4.340 0.004 0.000 0.326 186 R C -0.074 176.300 176.300 0.123 0.000 1.080 186 R CA -0.382 55.754 56.100 0.060 0.000 1.002 186 R CB 0.886 31.230 30.300 0.073 0.000 1.136 186 R HN 0.454 nan 8.270 nan 0.000 0.509 187 R N 2.792 123.323 120.500 0.052 0.000 2.599 187 R HA 0.427 4.770 4.340 0.004 0.000 0.295 187 R C -0.669 175.711 176.300 0.133 0.000 0.963 187 R CA -0.767 55.409 56.100 0.127 0.000 0.883 187 R CB 1.154 31.539 30.300 0.142 0.000 1.171 187 R HN 0.482 nan 8.270 nan 0.000 0.450 188 L N 4.183 125.498 121.223 0.154 0.000 2.455 188 L HA 0.211 4.554 4.340 0.004 0.000 0.272 188 L C -0.226 176.808 176.870 0.274 0.000 1.174 188 L CA 0.192 55.145 54.840 0.189 0.000 0.869 188 L CB 0.185 42.344 42.059 0.167 0.000 1.130 188 L HN 0.506 nan 8.230 nan 0.000 0.474 189 F N 2.918 122.959 119.950 0.153 0.000 2.426 189 F HA 0.304 4.834 4.527 0.004 0.000 0.348 189 F C 0.402 176.336 175.800 0.222 0.000 1.124 189 F CA -0.419 57.686 58.000 0.175 0.000 1.008 189 F CB 0.601 39.669 39.000 0.113 0.000 1.139 189 F HN 0.372 nan 8.300 nan 0.000 0.452 190 H N 6.305 125.214 119.070 -0.267 0.000 2.911 190 H HA 0.166 4.725 4.556 0.004 0.000 0.273 190 H C -0.112 175.192 175.328 -0.040 0.000 1.157 190 H CA -0.658 55.323 56.048 -0.112 0.000 1.402 190 H CB 0.667 30.341 29.762 -0.147 0.000 1.463 190 H HN 0.471 nan 8.280 nan 0.000 0.475 191 K N 1.068 121.602 120.400 0.223 0.000 2.319 191 K HA -0.039 4.284 4.320 0.004 0.000 0.265 191 K C 1.283 177.963 176.600 0.133 0.000 1.000 191 K CA -0.030 56.401 56.287 0.240 0.000 0.943 191 K CB 0.637 33.253 32.500 0.193 0.000 0.950 191 K HN 0.587 nan 8.250 nan 0.000 0.485 192 S N 0.706 116.482 115.700 0.127 0.000 2.559 192 S HA -0.148 4.324 4.470 0.004 0.000 0.250 192 S C 0.613 175.244 174.600 0.051 0.000 0.977 192 S CA 1.439 59.684 58.200 0.076 0.000 0.958 192 S CB -0.425 62.816 63.200 0.068 0.000 0.751 192 S HN 0.764 nan 8.310 nan 0.000 0.534 193 D N -1.699 118.731 120.400 0.050 0.000 2.540 193 D HA 0.313 4.956 4.640 0.004 0.000 0.229 193 D C 1.191 177.505 176.300 0.023 0.000 1.250 193 D CA 0.278 54.297 54.000 0.032 0.000 0.817 193 D CB -0.163 40.653 40.800 0.027 0.000 1.060 193 D HN 0.459 nan 8.370 nan 0.000 0.508 194 G N 0.188 109.003 108.800 0.024 0.000 2.232 194 G HA2 -0.260 3.702 3.960 0.004 0.000 0.226 194 G HA3 -0.260 3.702 3.960 0.004 0.000 0.226 194 G C 0.474 175.357 174.900 -0.028 0.000 0.996 194 G CA 0.103 45.204 45.100 0.000 0.000 0.626 194 G HN 0.396 nan 8.290 nan 0.000 0.509 195 S N 0.483 116.183 115.700 -0.001 0.000 2.576 195 S HA 0.537 5.010 4.470 0.004 0.000 0.272 195 S C 0.197 174.779 174.600 -0.030 0.000 1.352 195 S CA 1.022 59.219 58.200 -0.005 0.000 1.021 195 S CB 1.258 64.475 63.200 0.030 0.000 0.887 195 S HN 0.642 nan 8.310 nan 0.000 0.542 196 T N 1.680 116.211 114.554 -0.038 0.000 3.187 196 T HA 0.393 4.746 4.350 0.004 0.000 0.328 196 T C -0.444 174.272 174.700 0.026 0.000 0.951 196 T CA -0.681 61.386 62.100 -0.056 0.000 1.049 196 T CB 0.631 69.352 68.868 -0.245 0.000 1.015 196 T HN 0.545 nan 8.240 nan 0.000 0.461 197 V N 0.990 120.968 119.914 0.107 0.000 2.617 197 V HA 0.808 4.931 4.120 0.004 0.000 0.298 197 V C 0.231 176.396 176.094 0.118 0.000 1.048 197 V CA -0.706 61.651 62.300 0.095 0.000 0.964 197 V CB 1.711 33.584 31.823 0.082 0.000 1.004 197 V HN 0.712 nan 8.190 nan 0.000 0.466 198 S N 2.828 118.575 115.700 0.079 0.000 2.513 198 S HA 0.687 5.159 4.470 0.004 0.000 0.276 198 S C -0.345 174.293 174.600 0.064 0.000 1.254 198 S CA -0.378 57.869 58.200 0.078 0.000 1.053 198 S CB 1.187 64.420 63.200 0.056 0.000 0.958 198 S HN 1.075 nan 8.310 nan 0.000 0.491 199 V N 4.708 124.661 119.914 0.065 0.000 3.012 199 V HA 0.476 4.599 4.120 0.004 0.000 0.307 199 V C -2.767 173.320 176.094 -0.011 0.000 1.166 199 V CA -2.408 59.911 62.300 0.031 0.000 0.974 199 V CB 2.583 34.427 31.823 0.034 0.000 1.040 199 V HN 0.564 nan 8.190 nan 0.000 0.428 200 P HA 0.326 nan 4.420 nan 0.000 0.267 200 P C -0.922 176.304 177.300 -0.124 0.000 1.209 200 P CA 0.427 63.474 63.100 -0.089 0.000 0.763 200 P CB 0.174 31.844 31.700 -0.050 0.000 0.816 201 M N 4.173 123.610 119.600 -0.271 0.000 2.142 201 M HA 0.362 4.844 4.480 0.004 0.000 0.299 201 M C -0.030 176.142 176.300 -0.214 0.000 0.960 201 M CA -0.633 54.518 55.300 -0.249 0.000 0.920 201 M CB 1.442 33.882 32.600 -0.268 0.000 1.541 201 M HN 0.250 nan 8.290 nan 0.000 0.429 202 M N 2.169 121.682 119.600 -0.146 0.000 2.228 202 M HA 0.703 5.185 4.480 0.004 0.000 0.351 202 M C -0.238 176.121 176.300 0.099 0.000 1.233 202 M CA -0.118 55.144 55.300 -0.065 0.000 1.129 202 M CB 0.304 32.749 32.600 -0.259 0.000 1.604 202 M HN 0.635 nan 8.290 nan 0.000 0.457 203 A N 3.109 126.093 122.820 0.273 0.000 2.365 203 A HA 0.740 5.063 4.320 0.004 0.000 0.318 203 A C -0.927 176.824 177.584 0.279 0.000 1.091 203 A CA -0.589 51.630 52.037 0.303 0.000 0.763 203 A CB 1.852 20.996 19.000 0.241 0.000 1.248 203 A HN 0.906 nan 8.150 nan 0.000 0.442 204 Q N 0.457 120.363 119.800 0.177 0.000 2.426 204 Q HA 0.581 4.924 4.340 0.004 0.000 0.278 204 Q C -1.443 174.570 176.000 0.023 0.000 1.007 204 Q CA -0.423 55.348 55.803 -0.053 0.000 0.850 204 Q CB 2.243 30.661 28.738 -0.534 0.000 1.427 204 Q HN 0.947 nan 8.270 nan 0.000 0.391 205 T N 1.574 116.079 114.554 -0.082 0.000 2.848 205 T HA 0.754 5.106 4.350 0.004 0.000 0.285 205 T C -0.877 173.643 174.700 -0.298 0.000 0.995 205 T CA 0.094 62.137 62.100 -0.094 0.000 0.970 205 T CB 0.705 69.536 68.868 -0.062 0.000 0.976 205 T HN 0.954 nan 8.240 nan 0.000 0.441 206 N N 1.633 120.045 118.700 -0.481 0.000 3.439 206 N HA 0.180 4.923 4.740 0.004 0.000 0.285 206 N C -1.520 173.621 175.510 -0.615 0.000 1.386 206 N CA -1.223 51.495 53.050 -0.553 0.000 0.824 206 N CB 0.400 38.544 38.487 -0.572 0.000 1.632 206 N HN 0.231 nan 8.380 nan 0.000 0.421 207 K N 0.861 120.993 120.400 -0.447 0.000 2.079 207 K HA 0.165 4.488 4.320 0.004 0.000 0.255 207 K C -1.150 175.273 176.600 -0.294 0.000 1.114 207 K CA 0.407 56.527 56.287 -0.278 0.000 1.056 207 K CB -1.303 31.095 32.500 -0.170 0.000 1.176 207 K HN 0.278 nan 8.250 nan 0.000 0.353 208 F N 1.406 121.317 119.950 -0.066 0.000 2.411 208 F HA 0.126 4.655 4.527 0.004 0.000 0.350 208 F C 1.251 177.060 175.800 0.015 0.000 1.114 208 F CA -1.017 56.954 58.000 -0.049 0.000 1.135 208 F CB 0.539 39.504 39.000 -0.058 0.000 1.120 208 F HN 0.240 nan 8.300 nan 0.000 0.495 209 N N 4.018 122.859 118.700 0.237 0.000 2.406 209 N HA 0.004 4.747 4.740 0.004 0.000 0.265 209 N C -1.197 174.435 175.510 0.204 0.000 1.203 209 N CA 0.314 53.464 53.050 0.166 0.000 0.945 209 N CB -0.187 38.359 38.487 0.098 0.000 1.165 209 N HN 0.581 nan 8.380 nan 0.000 0.485 210 Y N 1.803 122.142 120.300 0.065 0.000 2.605 210 Y HA 0.611 5.164 4.550 0.004 0.000 0.343 210 Y C -0.474 175.456 175.900 0.049 0.000 1.036 210 Y CA -0.502 57.621 58.100 0.038 0.000 1.065 210 Y CB 1.874 40.355 38.460 0.034 0.000 1.288 210 Y HN 0.357 nan 8.280 nan 0.000 0.481 211 T N 2.538 116.623 114.554 -0.782 0.000 2.770 211 T HA 0.392 4.744 4.350 0.004 0.000 0.323 211 T C -2.403 171.895 174.700 -0.669 0.000 1.683 211 T CA -0.621 61.194 62.100 -0.475 0.000 1.024 211 T CB 1.056 69.891 68.868 -0.055 0.000 1.557 211 T HN 0.845 nan 8.240 nan 0.000 0.494 212 E N 2.613 122.654 120.200 -0.265 0.000 2.260 212 E HA 0.656 5.009 4.350 0.004 0.000 0.266 212 E C -1.370 175.226 176.600 -0.008 0.000 0.887 212 E CA -0.765 55.522 56.400 -0.189 0.000 0.777 212 E CB 0.931 30.581 29.700 -0.083 0.000 1.205 212 E HN 0.252 nan 8.360 nan 0.000 0.414 213 F N 1.421 120.995 119.950 -0.626 0.000 2.294 213 F HA 0.605 5.134 4.527 0.004 0.000 0.319 213 F C 0.789 176.332 175.800 -0.429 0.000 1.107 213 F CA -0.547 57.122 58.000 -0.551 0.000 1.094 213 F CB 1.559 40.143 39.000 -0.693 0.000 1.508 213 F HN 0.605 nan 8.300 nan 0.000 0.506 214 T N -2.735 111.842 114.554 0.039 0.000 2.909 214 T HA 0.554 4.907 4.350 0.004 0.000 0.299 214 T C -0.447 174.467 174.700 0.356 0.000 1.073 214 T CA -0.947 61.215 62.100 0.103 0.000 0.999 214 T CB 1.222 69.984 68.868 -0.176 0.000 1.098 214 T HN 0.695 nan 8.240 nan 0.000 0.477 215 T N -0.528 114.226 114.554 0.333 0.000 2.816 215 T HA 0.435 4.788 4.350 0.004 0.000 0.282 215 T C -1.714 173.060 174.700 0.122 0.000 0.993 215 T CA -1.552 60.712 62.100 0.273 0.000 0.994 215 T CB 0.212 69.231 68.868 0.251 0.000 1.025 215 T HN 0.297 nan 8.240 nan 0.000 0.529 216 P HA -0.055 nan 4.420 nan 0.000 0.216 216 P C 0.807 178.099 177.300 -0.013 0.000 1.153 216 P CA 1.040 64.168 63.100 0.047 0.000 0.858 216 P CB -0.097 31.637 31.700 0.057 0.000 0.789 217 D N -2.091 118.295 120.400 -0.022 0.000 2.350 217 D HA 0.056 4.699 4.640 0.004 0.000 0.216 217 D C 1.466 177.574 176.300 -0.321 0.000 0.968 217 D CA 1.488 55.411 54.000 -0.130 0.000 0.894 217 D CB -0.588 40.173 40.800 -0.066 0.000 0.909 217 D HN 0.207 nan 8.370 nan 0.000 0.520 218 G N -0.316 108.314 108.800 -0.282 0.000 2.148 218 G HA2 -0.204 3.759 3.960 0.004 0.000 0.203 218 G HA3 -0.204 3.759 3.960 0.004 0.000 0.203 218 G C -0.162 174.479 174.900 -0.432 0.000 0.993 218 G CA -0.554 44.334 45.100 -0.353 0.000 0.661 218 G HN 0.355 nan 8.290 nan 0.000 0.518 219 H N -0.003 119.031 119.070 -0.060 0.000 2.620 219 H HA 0.418 4.976 4.556 0.004 0.000 0.313 219 H C 0.249 175.622 175.328 0.075 0.000 1.075 219 H CA -0.304 55.757 56.048 0.021 0.000 1.397 219 H CB 0.354 30.180 29.762 0.108 0.000 1.446 219 H HN 0.282 nan 8.280 nan 0.000 0.493 220 Y N 2.744 123.215 120.300 0.286 0.000 2.397 220 Y HA 0.105 4.657 4.550 0.004 0.000 0.335 220 Y C 0.242 176.349 175.900 0.344 0.000 1.213 220 Y CA -0.134 58.096 58.100 0.218 0.000 1.391 220 Y CB 0.418 38.933 38.460 0.091 0.000 1.293 220 Y HN 0.528 nan 8.280 nan 0.000 0.557 221 Y N -0.455 120.026 120.300 0.302 0.000 2.358 221 Y HA 0.449 5.001 4.550 0.004 0.000 0.324 221 Y C -1.440 174.491 175.900 0.052 0.000 1.123 221 Y CA -1.765 56.437 58.100 0.170 0.000 1.067 221 Y CB 0.713 39.236 38.460 0.105 0.000 1.230 221 Y HN 0.459 nan 8.280 nan 0.000 0.429 222 D N 5.056 125.531 120.400 0.125 0.000 2.372 222 D HA 0.422 5.064 4.640 0.004 0.000 0.243 222 D C -0.208 175.980 176.300 -0.188 0.000 1.121 222 D CA 0.367 54.323 54.000 -0.074 0.000 0.898 222 D CB 2.054 42.982 40.800 0.214 0.000 1.202 222 D HN 0.668 nan 8.370 nan 0.000 0.428 223 I N 1.499 121.798 120.570 -0.451 0.000 2.478 223 I HA 0.315 4.487 4.170 0.004 0.000 0.287 223 I C -0.560 175.395 176.117 -0.269 0.000 1.042 223 I CA -0.732 60.323 61.300 -0.408 0.000 1.067 223 I CB 2.016 39.591 38.000 -0.708 0.000 1.233 223 I HN 0.045 nan 8.210 nan 0.000 0.431 224 L N 5.452 126.620 121.223 -0.091 0.000 2.346 224 L HA 0.568 4.910 4.340 0.004 0.000 0.274 224 L C -0.574 176.234 176.870 -0.104 0.000 1.007 224 L CA -0.294 54.524 54.840 -0.036 0.000 0.818 224 L CB 2.116 44.143 42.059 -0.053 0.000 1.284 224 L HN 0.625 nan 8.230 nan 0.000 0.424 225 E N 4.947 125.059 120.200 -0.146 0.000 2.145 225 E HA 0.375 4.728 4.350 0.004 0.000 0.270 225 E C -1.679 174.822 176.600 -0.165 0.000 0.906 225 E CA -0.605 55.590 56.400 -0.342 0.000 0.761 225 E CB 1.463 30.898 29.700 -0.442 0.000 1.116 225 E HN 0.586 nan 8.360 nan 0.000 0.408 226 L N 7.596 128.724 121.223 -0.159 0.000 2.318 226 L HA 0.414 4.757 4.340 0.004 0.000 0.277 226 L C -2.165 174.705 176.870 -0.001 0.000 1.008 226 L CA -1.875 52.929 54.840 -0.060 0.000 0.846 226 L CB 1.621 43.606 42.059 -0.123 0.000 1.220 226 L HN 0.354 nan 8.230 nan 0.000 0.423 227 P HA 0.198 nan 4.420 nan 0.000 0.276 227 P C -1.390 175.973 177.300 0.104 0.000 1.261 227 P CA -0.289 62.860 63.100 0.080 0.000 0.800 227 P CB 1.082 32.839 31.700 0.095 0.000 1.066 228 Y N -1.588 118.931 120.300 0.365 0.000 2.567 228 Y HA 0.257 4.809 4.550 0.004 0.000 0.333 228 Y C 1.222 177.321 175.900 0.332 0.000 1.106 228 Y CA -0.326 58.004 58.100 0.383 0.000 1.157 228 Y CB 0.252 38.931 38.460 0.365 0.000 1.277 228 Y HN 0.509 nan 8.280 nan 0.000 0.490 229 H N -0.355 118.934 119.070 0.365 0.000 3.173 229 H HA 0.258 4.817 4.556 0.004 0.000 0.311 229 H C 1.149 176.621 175.328 0.241 0.000 0.972 229 H CA 0.568 56.768 56.048 0.253 0.000 1.384 229 H CB 0.008 29.896 29.762 0.210 0.000 1.349 229 H HN 0.877 nan 8.280 nan 0.000 0.582 230 G N 2.764 111.587 108.800 0.039 0.000 2.234 230 G HA2 -0.404 3.558 3.960 0.004 0.000 0.260 230 G HA3 -0.404 3.558 3.960 0.004 0.000 0.260 230 G C 0.569 175.460 174.900 -0.015 0.000 0.987 230 G CA 0.291 45.365 45.100 -0.043 0.000 0.625 230 G HN 0.927 nan 8.290 nan 0.000 0.532 231 D N -0.939 119.490 120.400 0.048 0.000 3.079 231 D HA -0.223 4.419 4.640 0.004 0.000 0.214 231 D C 1.779 178.085 176.300 0.010 0.000 1.145 231 D CA 2.469 56.505 54.000 0.060 0.000 0.958 231 D CB -1.636 39.186 40.800 0.036 0.000 1.117 231 D HN 1.113 nan 8.370 nan 0.000 0.416 232 T N -1.937 112.587 114.554 -0.050 0.000 2.867 232 T HA 0.118 4.471 4.350 0.004 0.000 0.268 232 T C 1.082 175.753 174.700 -0.048 0.000 1.057 232 T CA 1.202 63.191 62.100 -0.185 0.000 1.136 232 T CB 0.052 68.637 68.868 -0.472 0.000 0.874 232 T HN 0.391 nan 8.240 nan 0.000 0.466 233 L N -0.962 120.355 121.223 0.156 0.000 2.465 233 L HA 0.891 5.234 4.340 0.004 0.000 0.257 233 L C -0.958 176.220 176.870 0.513 0.000 0.988 233 L CA -1.194 53.825 54.840 0.299 0.000 0.827 233 L CB 2.171 44.407 42.059 0.294 0.000 1.397 233 L HN 0.134 nan 8.230 nan 0.000 0.410 234 S N 0.884 116.898 115.700 0.524 0.000 2.579 234 S HA 0.783 5.255 4.470 0.004 0.000 0.272 234 S C -0.870 174.054 174.600 0.541 0.000 1.141 234 S CA -0.769 57.727 58.200 0.492 0.000 0.843 234 S CB 1.669 64.958 63.200 0.148 0.000 1.122 234 S HN 0.998 nan 8.310 nan 0.000 0.468 235 M N 2.228 122.079 119.600 0.418 0.000 2.129 235 M HA 0.552 5.035 4.480 0.004 0.000 0.348 235 M C -2.064 174.405 176.300 0.281 0.000 1.116 235 M CA -0.630 54.982 55.300 0.519 0.000 1.022 235 M CB 0.158 33.133 32.600 0.624 0.000 1.599 235 M HN 0.667 nan 8.290 nan 0.000 0.449 236 F N 6.047 126.218 119.950 0.368 0.000 2.391 236 F HA 0.423 4.952 4.527 0.004 0.000 0.359 236 F C -0.457 175.521 175.800 0.296 0.000 1.122 236 F CA -0.483 57.685 58.000 0.280 0.000 1.120 236 F CB 0.557 39.748 39.000 0.319 0.000 1.142 236 F HN 0.383 nan 8.300 nan 0.000 0.483 237 I N 3.473 124.234 120.570 0.317 0.000 2.353 237 I HA 0.608 4.781 4.170 0.004 0.000 0.293 237 I C 0.018 176.236 176.117 0.169 0.000 0.992 237 I CA -0.287 61.213 61.300 0.333 0.000 1.268 237 I CB 1.275 39.392 38.000 0.194 0.000 1.387 237 I HN 0.639 nan 8.210 nan 0.000 0.478 238 A N 5.042 127.985 122.820 0.204 0.000 2.414 238 A HA 1.007 5.329 4.320 0.004 0.000 0.306 238 A C -1.041 176.638 177.584 0.158 0.000 1.054 238 A CA -0.465 51.604 52.037 0.053 0.000 0.724 238 A CB 1.632 20.543 19.000 -0.150 0.000 1.267 238 A HN 0.965 nan 8.150 nan 0.000 0.418 239 A N 2.734 125.634 122.820 0.134 0.000 2.565 239 A HA 0.759 5.082 4.320 0.004 0.000 0.298 239 A C -3.323 174.361 177.584 0.167 0.000 1.062 239 A CA -1.115 51.010 52.037 0.147 0.000 0.723 239 A CB 0.916 20.004 19.000 0.148 0.000 1.282 239 A HN 0.495 nan 8.150 nan 0.000 0.400 240 P HA 0.116 nan 4.420 nan 0.000 0.268 240 P C 0.338 177.764 177.300 0.210 0.000 1.208 240 P CA 0.165 63.408 63.100 0.239 0.000 0.777 240 P CB 0.351 32.145 31.700 0.157 0.000 0.875 241 Y N 1.937 122.345 120.300 0.179 0.000 2.133 241 Y HA -0.119 4.433 4.550 0.004 0.000 0.287 241 Y C 0.564 176.515 175.900 0.085 0.000 1.134 241 Y CA 1.349 59.523 58.100 0.124 0.000 1.133 241 Y CB -0.237 38.310 38.460 0.145 0.000 0.987 241 Y HN 0.364 nan 8.280 nan 0.000 0.502 242 E N 2.491 122.891 120.200 0.333 0.000 2.265 242 E HA -0.025 4.327 4.350 0.004 0.000 0.272 242 E C 1.055 177.688 176.600 0.056 0.000 1.067 242 E CA -0.105 56.414 56.400 0.198 0.000 0.900 242 E CB 0.646 30.483 29.700 0.229 0.000 1.017 242 E HN 0.332 nan 8.360 nan 0.000 0.431 243 K N 3.278 123.675 120.400 -0.005 0.000 2.097 243 K HA -0.221 4.102 4.320 0.004 0.000 0.205 243 K C 1.488 178.083 176.600 -0.008 0.000 1.050 243 K CA 1.263 57.530 56.287 -0.033 0.000 0.938 243 K CB 0.012 32.473 32.500 -0.065 0.000 0.718 243 K HN 0.351 nan 8.250 nan 0.000 0.442 244 E N 2.048 122.252 120.200 0.006 0.000 2.338 244 E HA -0.089 4.264 4.350 0.004 0.000 0.197 244 E C 0.400 176.981 176.600 -0.031 0.000 1.007 244 E CA 0.273 56.675 56.400 0.002 0.000 0.849 244 E CB -0.051 29.661 29.700 0.020 0.000 0.774 244 E HN 0.290 nan 8.360 nan 0.000 0.506 245 V N -0.628 119.249 119.914 -0.063 0.000 2.546 245 V HA 0.494 4.617 4.120 0.004 0.000 0.284 245 V C -2.431 173.616 176.094 -0.078 0.000 1.050 245 V CA -2.253 59.960 62.300 -0.145 0.000 0.981 245 V CB 1.098 32.734 31.823 -0.311 0.000 0.990 245 V HN -0.080 nan 8.190 nan 0.000 0.474 246 P HA 0.164 nan 4.420 nan 0.000 0.271 246 P C 0.930 178.217 177.300 -0.022 0.000 1.216 246 P CA -0.222 62.859 63.100 -0.031 0.000 0.771 246 P CB 0.796 32.479 31.700 -0.028 0.000 0.864 247 L N 2.728 123.953 121.223 0.003 0.000 2.131 247 L HA -0.197 4.145 4.340 0.004 0.000 0.210 247 L C 1.988 178.858 176.870 0.000 0.000 1.092 247 L CA 2.363 57.213 54.840 0.016 0.000 0.759 247 L CB -0.658 41.427 42.059 0.043 0.000 0.903 247 L HN 0.467 nan 8.230 nan 0.000 0.435 248 S N 0.091 115.787 115.700 -0.006 0.000 2.402 248 S HA -0.238 4.235 4.470 0.004 0.000 0.233 248 S C 2.040 176.631 174.600 -0.014 0.000 1.030 248 S CA 1.098 59.289 58.200 -0.014 0.000 1.003 248 S CB -0.672 62.515 63.200 -0.022 0.000 0.813 248 S HN 0.489 nan 8.310 nan 0.000 0.477 249 A N 0.728 123.539 122.820 -0.015 0.000 2.178 249 A HA 0.258 4.581 4.320 0.004 0.000 0.218 249 A C 2.132 179.704 177.584 -0.019 0.000 1.157 249 A CA 1.160 53.196 52.037 -0.001 0.000 0.689 249 A CB -0.538 18.464 19.000 0.003 0.000 0.787 249 A HN 0.622 nan 8.150 nan 0.000 0.465 250 L N -1.606 119.581 121.223 -0.059 0.000 2.575 250 L HA 0.030 4.372 4.340 0.004 0.000 0.228 250 L C 2.155 179.004 176.870 -0.036 0.000 1.075 250 L CA 1.094 55.848 54.840 -0.144 0.000 0.867 250 L CB 0.122 42.037 42.059 -0.240 0.000 1.097 250 L HN 0.400 nan 8.230 nan 0.000 0.485 251 T N -0.780 113.777 114.554 0.005 0.000 2.812 251 T HA -0.062 4.291 4.350 0.004 0.000 0.264 251 T C 1.542 176.261 174.700 0.031 0.000 1.042 251 T CA 1.110 63.240 62.100 0.051 0.000 1.140 251 T CB -0.268 68.626 68.868 0.043 0.000 0.870 251 T HN 0.303 nan 8.240 nan 0.000 0.445 252 N N 2.150 120.852 118.700 0.004 0.000 2.244 252 N HA -0.012 4.730 4.740 0.004 0.000 0.183 252 N C 1.973 177.491 175.510 0.012 0.000 1.016 252 N CA 1.044 54.093 53.050 -0.002 0.000 0.866 252 N CB -0.403 38.081 38.487 -0.004 0.000 0.980 252 N HN 0.632 nan 8.380 nan 0.000 0.430 253 I N -1.603 118.983 120.570 0.026 0.000 3.428 253 I HA 0.084 4.257 4.170 0.004 0.000 0.286 253 I C 0.334 176.466 176.117 0.024 0.000 1.287 253 I CA -0.011 61.317 61.300 0.046 0.000 1.396 253 I CB -0.325 37.728 38.000 0.089 0.000 1.062 253 I HN -0.140 nan 8.210 nan 0.000 0.471 254 L N 2.999 124.228 121.223 0.010 0.000 2.525 254 L HA 0.091 4.433 4.340 0.004 0.000 0.278 254 L C 0.399 177.220 176.870 -0.082 0.000 1.218 254 L CA 0.518 55.329 54.840 -0.049 0.000 0.878 254 L CB 0.294 42.358 42.059 0.008 0.000 1.127 254 L HN 0.561 nan 8.230 nan 0.000 0.492 255 S N 0.952 116.549 115.700 -0.172 0.000 2.588 255 S HA 0.550 5.022 4.470 0.004 0.000 0.269 255 S C 0.207 174.701 174.600 -0.176 0.000 1.157 255 S CA -0.338 57.786 58.200 -0.126 0.000 0.824 255 S CB 1.520 64.678 63.200 -0.070 0.000 1.126 255 S HN 0.596 nan 8.310 nan 0.000 0.464 256 A N 0.826 123.590 122.820 -0.094 0.000 1.933 256 A HA -0.063 4.260 4.320 0.004 0.000 0.218 256 A C 2.031 179.598 177.584 -0.027 0.000 1.175 256 A CA 1.546 53.550 52.037 -0.056 0.000 0.628 256 A CB -0.912 18.074 19.000 -0.023 0.000 0.814 256 A HN 0.816 nan 8.150 nan 0.000 0.444 257 Q N -1.174 118.641 119.800 0.025 0.000 2.187 257 Q HA -0.063 4.280 4.340 0.004 0.000 0.199 257 Q C 2.065 178.007 176.000 -0.096 0.000 0.957 257 Q CA 1.074 56.876 55.803 -0.002 0.000 0.857 257 Q CB -0.333 28.429 28.738 0.039 0.000 0.929 257 Q HN 0.574 nan 8.270 nan 0.000 0.453 258 L N 1.886 122.986 121.223 -0.204 0.000 2.012 258 L HA -0.179 4.164 4.340 0.004 0.000 0.210 258 L C 2.250 178.587 176.870 -0.887 0.000 1.073 258 L CA 1.645 56.249 54.840 -0.395 0.000 0.748 258 L CB -0.675 41.103 42.059 -0.470 0.000 0.891 258 L HN 0.328 nan 8.230 nan 0.000 0.431 259 I N -2.651 117.316 120.570 -1.004 0.000 2.454 259 I HA -0.161 4.012 4.170 0.004 0.000 0.254 259 I C 2.081 177.940 176.117 -0.430 0.000 1.156 259 I CA 1.765 62.458 61.300 -1.011 0.000 1.433 259 I CB -0.463 37.059 38.000 -0.796 0.000 1.082 259 I HN 0.156 nan 8.210 nan 0.000 0.432 260 S N -0.208 115.349 115.700 -0.239 0.000 2.395 260 S HA -0.161 4.311 4.470 0.004 0.000 0.225 260 S C 1.916 176.574 174.600 0.096 0.000 1.027 260 S CA 1.132 59.299 58.200 -0.055 0.000 0.965 260 S CB -0.687 62.499 63.200 -0.024 0.000 0.812 260 S HN 0.703 nan 8.310 nan 0.000 0.482 261 H N -0.619 118.441 119.070 -0.017 0.000 2.321 261 H HA -0.145 4.414 4.556 0.004 0.000 0.300 261 H C 1.837 177.366 175.328 0.333 0.000 1.087 261 H CA 1.507 57.654 56.048 0.165 0.000 1.319 261 H CB -0.079 29.808 29.762 0.209 0.000 1.379 261 H HN 0.391 nan 8.280 nan 0.000 0.501 262 W N 1.534 122.727 121.300 -0.178 0.000 2.304 262 W HA -0.208 4.455 4.660 0.004 0.000 0.315 262 W C 2.652 179.143 176.519 -0.048 0.000 1.233 262 W CA 1.521 58.565 57.345 -0.501 0.000 1.261 262 W CB -0.924 28.262 29.460 -0.456 0.000 1.150 262 W HN 0.245 nan 8.180 nan 0.000 0.494 263 K N 0.136 120.742 120.400 0.343 0.000 2.211 263 K HA -0.029 4.294 4.320 0.004 0.000 0.203 263 K C 2.196 178.957 176.600 0.268 0.000 1.050 263 K CA 1.724 58.234 56.287 0.371 0.000 0.945 263 K CB -0.867 31.857 32.500 0.373 0.000 0.732 263 K HN 0.018 nan 8.250 nan 0.000 0.451 264 G N -0.099 108.859 108.800 0.263 0.000 2.421 264 G HA2 -0.192 3.771 3.960 0.004 0.000 0.217 264 G HA3 -0.192 3.771 3.960 0.004 0.000 0.217 264 G C 0.937 175.968 174.900 0.219 0.000 1.143 264 G CA 0.620 45.863 45.100 0.238 0.000 0.784 264 G HN 0.486 nan 8.290 nan 0.000 0.541 265 N N -0.369 118.479 118.700 0.247 0.000 2.268 265 N HA 0.258 5.001 4.740 0.004 0.000 0.204 265 N C 0.512 176.121 175.510 0.165 0.000 1.124 265 N CA -0.446 52.720 53.050 0.194 0.000 0.838 265 N CB 0.313 38.918 38.487 0.196 0.000 0.994 265 N HN 0.258 nan 8.380 nan 0.000 0.489 266 M N 0.779 120.480 119.600 0.169 0.000 2.226 266 M HA 0.082 4.564 4.480 0.004 0.000 0.324 266 M C -0.392 175.982 176.300 0.122 0.000 1.112 266 M CA 0.848 56.230 55.300 0.138 0.000 1.176 266 M CB 0.830 33.525 32.600 0.157 0.000 1.430 266 M HN -0.146 nan 8.290 nan 0.000 0.462 267 T N 3.070 117.702 114.554 0.130 0.000 3.105 267 T HA 0.331 4.684 4.350 0.004 0.000 0.321 267 T C -0.973 173.803 174.700 0.127 0.000 1.135 267 T CA -0.773 61.397 62.100 0.117 0.000 1.053 267 T CB 1.182 70.114 68.868 0.108 0.000 1.133 267 T HN 0.577 nan 8.240 nan 0.000 0.463 268 R N 3.099 123.651 120.500 0.085 0.000 2.459 268 R HA 0.295 4.638 4.340 0.004 0.000 0.301 268 R C -0.608 175.715 176.300 0.039 0.000 1.286 268 R CA -0.337 55.801 56.100 0.063 0.000 1.046 268 R CB -0.554 29.760 30.300 0.023 0.000 1.071 268 R HN 0.276 nan 8.270 nan 0.000 0.512 269 L N 1.812 123.068 121.223 0.055 0.000 2.341 269 L HA 0.570 4.913 4.340 0.004 0.000 0.278 269 L C -2.407 174.454 176.870 -0.016 0.000 1.005 269 L CA -3.143 51.704 54.840 0.011 0.000 0.818 269 L CB 0.793 42.859 42.059 0.011 0.000 1.259 269 L HN 0.228 nan 8.230 nan 0.000 0.418 270 P HA 0.158 nan 4.420 nan 0.000 0.261 270 P C -0.834 176.436 177.300 -0.049 0.000 1.203 270 P CA 0.196 63.250 63.100 -0.076 0.000 0.767 270 P CB 0.671 32.323 31.700 -0.080 0.000 0.785 271 R N 2.685 123.183 120.500 -0.003 0.000 2.855 271 R HA 0.530 4.873 4.340 0.004 0.000 0.266 271 R C -0.753 175.600 176.300 0.089 0.000 1.034 271 R CA -1.174 54.951 56.100 0.041 0.000 0.944 271 R CB 1.526 31.869 30.300 0.072 0.000 1.219 271 R HN 0.432 nan 8.270 nan 0.000 0.474 272 L N 3.321 124.575 121.223 0.053 0.000 2.356 272 L HA 0.345 4.688 4.340 0.004 0.000 0.264 272 L C -1.223 175.683 176.870 0.060 0.000 1.029 272 L CA -0.726 54.148 54.840 0.057 0.000 0.897 272 L CB 0.705 42.767 42.059 0.005 0.000 1.256 272 L HN 0.437 nan 8.230 nan 0.000 0.444 273 L N 5.447 126.744 121.223 0.125 0.000 2.331 273 L HA 0.339 4.682 4.340 0.004 0.000 0.278 273 L C -0.604 176.306 176.870 0.067 0.000 1.106 273 L CA 0.255 55.097 54.840 0.003 0.000 0.824 273 L CB 1.495 43.422 42.059 -0.220 0.000 1.142 273 L HN 0.366 nan 8.230 nan 0.000 0.443 274 V N 7.017 126.940 119.914 0.015 0.000 2.266 274 V HA 0.319 4.442 4.120 0.004 0.000 0.271 274 V C -0.498 175.574 176.094 -0.037 0.000 1.032 274 V CA -0.492 61.843 62.300 0.058 0.000 0.806 274 V CB 1.029 32.909 31.823 0.095 0.000 1.052 274 V HN 0.607 nan 8.190 nan 0.000 0.449 275 L N 8.855 130.035 121.223 -0.071 0.000 2.287 275 L HA 0.684 5.027 4.340 0.004 0.000 0.287 275 L C -2.268 174.525 176.870 -0.129 0.000 1.022 275 L CA -1.999 52.738 54.840 -0.171 0.000 0.814 275 L CB 1.854 43.759 42.059 -0.257 0.000 1.217 275 L HN 0.292 nan 8.230 nan 0.000 0.420 276 P HA 0.055 nan 4.420 nan 0.000 0.265 276 P C -1.225 176.169 177.300 0.157 0.000 1.222 276 P CA -0.248 62.914 63.100 0.105 0.000 0.767 276 P CB 0.015 31.888 31.700 0.288 0.000 0.801 277 K N 4.591 124.993 120.400 0.003 0.000 2.412 277 K HA 0.395 4.717 4.320 0.004 0.000 0.281 277 K C -0.132 176.505 176.600 0.062 0.000 1.027 277 K CA -0.194 56.051 56.287 -0.069 0.000 0.989 277 K CB -0.029 32.396 32.500 -0.125 0.000 0.935 277 K HN 0.399 nan 8.250 nan 0.000 0.475 278 F N -1.402 118.523 119.950 -0.041 0.000 2.643 278 F HA 0.598 5.128 4.527 0.004 0.000 0.314 278 F C -1.046 174.714 175.800 -0.068 0.000 1.096 278 F CA -1.226 56.742 58.000 -0.053 0.000 0.953 278 F CB 2.005 40.974 39.000 -0.051 0.000 1.345 278 F HN 0.461 nan 8.300 nan 0.000 0.468 279 S N 2.121 117.919 115.700 0.165 0.000 2.779 279 S HA 0.755 5.228 4.470 0.004 0.000 0.293 279 S C -1.752 172.959 174.600 0.186 0.000 1.150 279 S CA -0.349 57.896 58.200 0.075 0.000 1.057 279 S CB 0.652 63.865 63.200 0.023 0.000 1.021 279 S HN 0.650 nan 8.310 nan 0.000 0.485 280 L N 3.357 124.718 121.223 0.230 0.000 2.319 280 L HA 0.750 5.092 4.340 0.004 0.000 0.267 280 L C -0.200 176.771 176.870 0.168 0.000 1.011 280 L CA -0.229 54.738 54.840 0.212 0.000 0.818 280 L CB 1.859 44.086 42.059 0.281 0.000 1.316 280 L HN 0.767 nan 8.230 nan 0.000 0.432 281 E N 0.302 120.590 120.200 0.148 0.000 2.343 281 E HA 0.481 4.833 4.350 0.004 0.000 0.286 281 E C -1.750 174.925 176.600 0.123 0.000 0.915 281 E CA -0.322 56.158 56.400 0.132 0.000 0.784 281 E CB 1.841 31.600 29.700 0.099 0.000 1.251 281 E HN 0.619 nan 8.360 nan 0.000 0.407 282 T N 1.527 116.165 114.554 0.139 0.000 2.900 282 T HA 0.455 4.807 4.350 0.004 0.000 0.303 282 T C -1.390 173.380 174.700 0.115 0.000 1.142 282 T CA -0.681 61.496 62.100 0.129 0.000 1.007 282 T CB 1.882 70.847 68.868 0.162 0.000 1.156 282 T HN 0.461 nan 8.240 nan 0.000 0.490 283 E N 2.686 122.941 120.200 0.092 0.000 2.218 283 E HA 0.606 4.958 4.350 0.004 0.000 0.263 283 E C -1.500 175.155 176.600 0.090 0.000 0.879 283 E CA -0.834 55.612 56.400 0.077 0.000 0.762 283 E CB 1.770 31.496 29.700 0.044 0.000 1.166 283 E HN 0.577 nan 8.360 nan 0.000 0.415 284 V N 3.788 123.771 119.914 0.115 0.000 2.459 284 V HA 0.195 4.318 4.120 0.004 0.000 0.295 284 V C -0.236 175.916 176.094 0.096 0.000 1.029 284 V CA -0.882 61.495 62.300 0.130 0.000 0.874 284 V CB 1.712 33.692 31.823 0.261 0.000 0.985 284 V HN 0.705 nan 8.190 nan 0.000 0.438 285 D N 3.907 124.339 120.400 0.053 0.000 2.365 285 D HA 0.230 4.873 4.640 0.004 0.000 0.237 285 D C 0.784 177.097 176.300 0.020 0.000 1.190 285 D CA -0.127 53.885 54.000 0.021 0.000 0.867 285 D CB 1.315 42.100 40.800 -0.025 0.000 1.050 285 D HN 0.486 nan 8.370 nan 0.000 0.491 286 L N 3.832 125.100 121.223 0.075 0.000 2.711 286 L HA 0.017 4.359 4.340 0.004 0.000 0.242 286 L C 2.349 179.246 176.870 0.045 0.000 1.153 286 L CA 0.057 54.967 54.840 0.116 0.000 0.898 286 L CB -0.234 41.952 42.059 0.211 0.000 1.044 286 L HN 0.343 nan 8.230 nan 0.000 0.437 287 R N 0.504 120.881 120.500 -0.205 0.000 2.070 287 R HA -0.145 4.197 4.340 0.004 0.000 0.227 287 R C 2.163 178.252 176.300 -0.353 0.000 1.147 287 R CA 1.225 56.914 56.100 -0.684 0.000 0.924 287 R CB 0.109 29.881 30.300 -0.880 0.000 0.827 287 R HN 0.102 nan 8.270 nan 0.000 0.431 288 K N -0.066 120.199 120.400 -0.225 0.000 2.032 288 K HA -0.095 4.228 4.320 0.004 0.000 0.209 288 K C -0.415 176.147 176.600 -0.064 0.000 1.048 288 K CA 1.543 57.755 56.287 -0.125 0.000 0.927 288 K CB -1.469 30.965 32.500 -0.109 0.000 0.712 288 K HN 0.289 nan 8.250 nan 0.000 0.441 289 P HA -0.128 nan 4.420 nan 0.000 0.214 289 P C 1.598 178.899 177.300 0.001 0.000 1.163 289 P CA 1.179 64.239 63.100 -0.066 0.000 0.889 289 P CB -0.038 31.610 31.700 -0.088 0.000 0.790 290 L N -0.697 120.582 121.223 0.093 0.000 2.131 290 L HA -0.163 4.179 4.340 0.004 0.000 0.210 290 L C 2.278 179.278 176.870 0.217 0.000 1.092 290 L CA 1.508 56.472 54.840 0.207 0.000 0.759 290 L CB -0.874 41.414 42.059 0.381 0.000 0.903 290 L HN 0.064 nan 8.230 nan 0.000 0.435 291 E N -0.079 120.240 120.200 0.198 0.000 2.208 291 E HA -0.149 4.204 4.350 0.004 0.000 0.193 291 E C 1.752 178.402 176.600 0.083 0.000 0.988 291 E CA 0.598 57.097 56.400 0.165 0.000 0.828 291 E CB -0.024 29.746 29.700 0.117 0.000 0.763 291 E HN 0.439 nan 8.360 nan 0.000 0.478 292 N N 0.755 119.482 118.700 0.044 0.000 2.223 292 N HA -0.091 4.652 4.740 0.004 0.000 0.185 292 N C 1.306 176.833 175.510 0.028 0.000 1.016 292 N CA 0.795 53.853 53.050 0.014 0.000 0.863 292 N CB 0.001 38.474 38.487 -0.023 0.000 0.983 292 N HN 0.149 nan 8.380 nan 0.000 0.429 293 L N -0.723 120.532 121.223 0.053 0.000 2.645 293 L HA 0.227 4.570 4.340 0.004 0.000 0.234 293 L C 1.145 178.066 176.870 0.085 0.000 1.165 293 L CA 0.162 55.047 54.840 0.075 0.000 0.944 293 L CB -0.568 41.560 42.059 0.116 0.000 1.149 293 L HN 0.226 nan 8.230 nan 0.000 0.446 294 G N 0.223 109.067 108.800 0.073 0.000 2.179 294 G HA2 -0.329 3.634 3.960 0.004 0.000 0.260 294 G HA3 -0.329 3.634 3.960 0.004 0.000 0.260 294 G C 0.393 175.336 174.900 0.072 0.000 0.977 294 G CA -0.092 45.046 45.100 0.063 0.000 0.641 294 G HN 0.358 nan 8.290 nan 0.000 0.533 295 M N 2.746 122.409 119.600 0.106 0.000 3.213 295 M HA 0.286 4.769 4.480 0.004 0.000 0.275 295 M C 1.783 178.181 176.300 0.162 0.000 1.424 295 M CA 0.710 56.065 55.300 0.093 0.000 1.561 295 M CB 0.254 32.915 32.600 0.102 0.000 1.109 295 M HN 0.391 nan 8.290 nan 0.000 0.552 296 T N -3.207 111.422 114.554 0.125 0.000 2.953 296 T HA 0.009 4.361 4.350 0.004 0.000 0.247 296 T C 1.193 175.983 174.700 0.151 0.000 1.029 296 T CA 0.651 62.861 62.100 0.183 0.000 1.144 296 T CB -0.048 68.887 68.868 0.113 0.000 0.870 296 T HN 0.327 nan 8.240 nan 0.000 0.446 297 D N 2.616 123.047 120.400 0.052 0.000 2.133 297 D HA -0.173 4.469 4.640 0.004 0.000 0.192 297 D C 2.180 178.488 176.300 0.012 0.000 1.001 297 D CA 1.993 56.006 54.000 0.022 0.000 0.844 297 D CB -0.574 40.210 40.800 -0.027 0.000 0.944 297 D HN 0.686 nan 8.370 nan 0.000 0.447 298 M N -1.640 117.898 119.600 -0.103 0.000 2.260 298 M HA -0.135 4.347 4.480 0.004 0.000 0.261 298 M C 0.994 177.257 176.300 -0.060 0.000 1.066 298 M CA 1.512 56.744 55.300 -0.113 0.000 1.082 298 M CB -0.548 31.841 32.600 -0.351 0.000 1.388 298 M HN -0.102 nan 8.290 nan 0.000 0.419 299 F N 0.127 120.179 119.950 0.170 0.000 2.727 299 F HA 0.360 4.890 4.527 0.005 0.000 0.302 299 F C 0.347 176.193 175.800 0.076 0.000 1.097 299 F CA -0.393 57.702 58.000 0.159 0.000 1.330 299 F CB 0.016 39.071 39.000 0.092 0.000 1.084 299 F HN -0.034 nan 8.300 nan 0.000 0.578 300 R N 0.749 121.334 120.500 0.142 0.000 2.255 300 R HA 0.264 4.606 4.340 0.004 0.000 0.326 300 R C 1.122 177.267 176.300 -0.259 0.000 0.986 300 R CA -0.140 55.925 56.100 -0.057 0.000 0.847 300 R CB 0.595 30.905 30.300 0.017 0.000 1.111 300 R HN 0.202 nan 8.270 nan 0.000 0.452 301 Q N 1.584 120.986 119.800 -0.663 0.000 2.077 301 Q HA -0.205 4.138 4.340 0.004 0.000 0.206 301 Q C 0.538 176.201 176.000 -0.562 0.000 0.989 301 Q CA 1.939 57.213 55.803 -0.881 0.000 0.853 301 Q CB -0.086 27.984 28.738 -1.112 0.000 0.907 301 Q HN 0.518 nan 8.270 nan 0.000 0.418 302 F N -0.545 119.353 119.950 -0.086 0.000 2.446 302 F HA 0.011 4.540 4.527 0.004 0.000 0.292 302 F C 2.254 178.048 175.800 -0.010 0.000 1.096 302 F CA 0.460 58.441 58.000 -0.032 0.000 1.438 302 F CB -0.082 38.899 39.000 -0.031 0.000 1.107 302 F HN -0.046 nan 8.300 nan 0.000 0.546 303 Q N 0.625 120.503 119.800 0.129 0.000 2.311 303 Q HA 0.197 4.539 4.340 0.004 0.000 0.203 303 Q C 1.225 177.258 176.000 0.056 0.000 0.954 303 Q CA 0.506 56.360 55.803 0.085 0.000 0.885 303 Q CB -0.659 28.118 28.738 0.065 0.000 0.963 303 Q HN 0.276 nan 8.270 nan 0.000 0.471 304 A N 1.475 124.336 122.820 0.069 0.000 2.387 304 A HA 0.186 4.509 4.320 0.004 0.000 0.251 304 A C 0.009 177.626 177.584 0.054 0.000 1.113 304 A CA 0.165 52.257 52.037 0.091 0.000 0.794 304 A CB 0.191 19.356 19.000 0.276 0.000 1.069 304 A HN 0.141 nan 8.150 nan 0.000 0.506 305 D N -1.228 119.141 120.400 -0.052 0.000 2.419 305 D HA 0.338 4.980 4.640 0.004 0.000 0.219 305 D C -1.715 174.395 176.300 -0.317 0.000 1.349 305 D CA -0.238 53.707 54.000 -0.092 0.000 0.964 305 D CB 0.292 41.025 40.800 -0.112 0.000 1.463 305 D HN 0.213 nan 8.370 nan 0.000 0.573 306 F N 1.820 121.743 119.950 -0.046 0.000 2.850 306 F HA 0.107 4.636 4.527 0.004 0.000 0.329 306 F C 2.175 177.928 175.800 -0.079 0.000 1.182 306 F CA -0.181 57.775 58.000 -0.073 0.000 1.270 306 F CB 0.871 39.810 39.000 -0.102 0.000 0.979 306 F HN 0.292 nan 8.300 nan 0.000 0.506 307 T N -4.150 110.423 114.554 0.032 0.000 2.996 307 T HA -0.156 4.196 4.350 0.004 0.000 0.271 307 T C 2.035 176.746 174.700 0.020 0.000 1.126 307 T CA 1.634 63.747 62.100 0.021 0.000 1.103 307 T CB -0.190 68.686 68.868 0.012 0.000 0.870 307 T HN 0.162 nan 8.240 nan 0.000 0.528 308 S N 0.641 116.358 115.700 0.029 0.000 2.436 308 S HA 0.196 4.668 4.470 0.004 0.000 0.228 308 S C 1.622 176.231 174.600 0.014 0.000 1.014 308 S CA 0.386 58.644 58.200 0.097 0.000 0.950 308 S CB -0.220 63.082 63.200 0.170 0.000 0.784 308 S HN 0.409 nan 8.310 nan 0.000 0.504 309 L N 0.468 121.575 121.223 -0.193 0.000 2.145 309 L HA 0.354 4.696 4.340 0.004 0.000 0.201 309 L C 0.466 177.127 176.870 -0.347 0.000 1.075 309 L CA 1.074 55.526 54.840 -0.648 0.000 0.773 309 L CB 0.145 41.892 42.059 -0.519 0.000 0.936 309 L HN 0.177 nan 8.230 nan 0.000 0.451 310 S N -2.055 113.561 115.700 -0.141 0.000 2.560 310 S HA 0.269 4.742 4.470 0.004 0.000 0.283 310 S C -0.541 174.050 174.600 -0.014 0.000 1.141 310 S CA -0.126 58.030 58.200 -0.074 0.000 0.902 310 S CB 0.723 63.868 63.200 -0.092 0.000 1.104 310 S HN 0.392 nan 8.310 nan 0.000 0.454 311 D N 1.641 122.040 120.400 -0.001 0.000 2.338 311 D HA 0.089 4.731 4.640 0.004 0.000 0.224 311 D C 0.148 176.458 176.300 0.016 0.000 0.967 311 D CA 0.236 54.245 54.000 0.015 0.000 0.896 311 D CB -0.066 40.744 40.800 0.017 0.000 1.028 311 D HN 0.487 nan 8.370 nan 0.000 0.493 312 Q N 1.594 121.398 119.800 0.008 0.000 2.311 312 Q HA 0.166 4.509 4.340 0.004 0.000 0.272 312 Q C -0.161 175.842 176.000 0.006 0.000 1.012 312 Q CA 0.220 56.028 55.803 0.009 0.000 0.891 312 Q CB 0.758 29.499 28.738 0.004 0.000 1.201 312 Q HN 0.281 nan 8.270 nan 0.000 0.391 313 E N 1.161 121.370 120.200 0.016 0.000 7.548 313 E HA -0.127 4.226 4.350 0.004 0.000 0.443 313 E C -2.499 174.115 176.600 0.022 0.000 0.387 313 E CA -0.030 56.380 56.400 0.016 0.000 0.714 313 E CB -0.392 29.308 29.700 0.001 0.000 0.961 313 E HN 0.489 nan 8.360 nan 0.000 0.264 314 P HA 0.374 nan 4.420 nan 0.000 0.271 314 P C -0.858 176.462 177.300 0.032 0.000 1.233 314 P CA -0.410 62.725 63.100 0.057 0.000 0.789 314 P CB 0.568 32.311 31.700 0.072 0.000 0.951 315 L N 1.484 122.746 121.223 0.065 0.000 2.556 315 L HA 0.511 4.854 4.340 0.004 0.000 0.257 315 L C -1.052 175.847 176.870 0.048 0.000 0.955 315 L CA -0.390 54.431 54.840 -0.031 0.000 0.850 315 L CB 1.571 43.555 42.059 -0.125 0.000 1.398 315 L HN 0.856 nan 8.230 nan 0.000 0.412 316 H N 1.001 119.884 119.070 -0.312 0.000 3.094 316 H HA 0.613 5.172 4.556 0.004 0.000 0.346 316 H C -1.438 173.678 175.328 -0.354 0.000 1.238 316 H CA -1.129 54.780 56.048 -0.231 0.000 1.209 316 H CB 0.850 30.583 29.762 -0.048 0.000 1.911 316 H HN 0.235 nan 8.280 nan 0.000 0.540 317 V N 2.696 122.422 119.914 -0.313 0.000 2.420 317 V HA 0.115 4.237 4.120 0.004 0.000 0.274 317 V C 1.416 177.444 176.094 -0.110 0.000 1.003 317 V CA 1.030 63.183 62.300 -0.246 0.000 1.092 317 V CB -0.414 31.349 31.823 -0.100 0.000 1.002 317 V HN 1.035 nan 8.190 nan 0.000 0.473 318 A N 5.501 128.123 122.820 -0.329 0.000 2.021 318 A HA 0.290 4.612 4.320 0.004 0.000 0.216 318 A C 0.558 178.097 177.584 -0.076 0.000 1.163 318 A CA 0.749 52.630 52.037 -0.260 0.000 0.676 318 A CB 0.111 18.860 19.000 -0.418 0.000 0.818 318 A HN 0.631 nan 8.150 nan 0.000 0.453 319 L N -1.448 119.750 121.223 -0.042 0.000 2.639 319 L HA 0.641 4.984 4.340 0.004 0.000 0.264 319 L C -0.995 175.920 176.870 0.076 0.000 0.948 319 L CA -0.103 54.747 54.840 0.017 0.000 0.912 319 L CB 1.504 43.546 42.059 -0.028 0.000 1.294 319 L HN 0.156 nan 8.230 nan 0.000 0.412 320 A N 6.378 129.282 122.820 0.139 0.000 2.323 320 A HA 0.830 5.152 4.320 0.004 0.000 0.305 320 A C -1.407 176.248 177.584 0.118 0.000 1.275 320 A CA -0.320 51.817 52.037 0.166 0.000 0.804 320 A CB 0.425 19.618 19.000 0.323 0.000 1.152 320 A HN 0.623 nan 8.150 nan 0.000 0.487 321 L N 1.300 122.578 121.223 0.091 0.000 2.354 321 L HA 0.638 4.980 4.340 0.004 0.000 0.269 321 L C -0.119 176.789 176.870 0.063 0.000 1.005 321 L CA -0.528 54.356 54.840 0.074 0.000 0.819 321 L CB 2.364 44.459 42.059 0.060 0.000 1.311 321 L HN 0.791 nan 8.230 nan 0.000 0.423 322 Q N 2.776 122.609 119.800 0.054 0.000 2.304 322 Q HA 0.397 4.740 4.340 0.004 0.000 0.270 322 Q C -1.472 174.545 176.000 0.029 0.000 1.035 322 Q CA -0.752 55.055 55.803 0.006 0.000 0.781 322 Q CB 2.458 31.134 28.738 -0.103 0.000 1.261 322 Q HN 0.477 nan 8.270 nan 0.000 0.444 323 K N 3.216 123.639 120.400 0.038 0.000 2.413 323 K HA 0.554 4.877 4.320 0.004 0.000 0.257 323 K C -1.706 174.954 176.600 0.101 0.000 0.946 323 K CA -0.535 55.789 56.287 0.062 0.000 0.823 323 K CB 1.630 34.154 32.500 0.040 0.000 1.109 323 K HN 0.399 nan 8.250 nan 0.000 0.427 324 V N 4.148 124.145 119.914 0.139 0.000 2.604 324 V HA 0.431 4.554 4.120 0.004 0.000 0.305 324 V C -0.743 175.478 176.094 0.212 0.000 1.043 324 V CA -0.870 61.565 62.300 0.225 0.000 0.888 324 V CB 1.873 33.874 31.823 0.297 0.000 0.995 324 V HN 0.693 nan 8.190 nan 0.000 0.429 325 K N 4.446 124.975 120.400 0.215 0.000 2.463 325 K HA 0.690 5.013 4.320 0.004 0.000 0.255 325 K C -1.661 174.930 176.600 -0.014 0.000 0.942 325 K CA -0.540 55.854 56.287 0.178 0.000 0.814 325 K CB 2.091 34.781 32.500 0.316 0.000 1.122 325 K HN 0.688 nan 8.250 nan 0.000 0.425 326 I N 2.661 123.204 120.570 -0.044 0.000 2.647 326 I HA 0.307 4.480 4.170 0.004 0.000 0.295 326 I C -1.420 174.564 176.117 -0.221 0.000 1.078 326 I CA -0.614 60.549 61.300 -0.228 0.000 1.048 326 I CB 2.101 40.038 38.000 -0.106 0.000 1.239 326 I HN 0.658 nan 8.210 nan 0.000 0.421 327 E N 5.459 125.418 120.200 -0.402 0.000 2.218 327 E HA 0.367 4.719 4.350 0.004 0.000 0.263 327 E C -1.400 174.910 176.600 -0.483 0.000 0.879 327 E CA -0.432 55.749 56.400 -0.366 0.000 0.762 327 E CB 2.712 32.258 29.700 -0.256 0.000 1.166 327 E HN 0.278 nan 8.360 nan 0.000 0.415 328 V N 5.134 124.710 119.914 -0.563 0.000 2.275 328 V HA 0.368 4.490 4.120 0.004 0.000 0.272 328 V C -0.943 174.981 176.094 -0.284 0.000 1.028 328 V CA -0.281 61.728 62.300 -0.486 0.000 0.810 328 V CB 0.206 31.530 31.823 -0.832 0.000 1.043 328 V HN 0.778 nan 8.190 nan 0.000 0.453 329 N N 3.833 122.469 118.700 -0.107 0.000 2.989 329 N HA 0.537 5.279 4.740 0.004 0.000 0.338 329 N C 0.739 176.360 175.510 0.186 0.000 1.369 329 N CA -0.544 52.491 53.050 -0.024 0.000 0.794 329 N CB 0.683 39.139 38.487 -0.053 0.000 1.359 329 N HN 0.300 nan 8.380 nan 0.000 0.609 330 E N -0.120 120.165 120.200 0.141 0.000 2.014 330 E HA -0.116 4.237 4.350 0.004 0.000 0.190 330 E C 1.438 178.292 176.600 0.423 0.000 0.980 330 E CA 1.162 57.719 56.400 0.261 0.000 0.807 330 E CB -0.909 28.892 29.700 0.168 0.000 0.770 330 E HN 0.507 nan 8.360 nan 0.000 0.451 331 S N 0.197 116.041 115.700 0.241 0.000 2.310 331 S HA 0.308 4.781 4.470 0.004 0.000 0.201 331 S C 0.914 175.595 174.600 0.134 0.000 1.032 331 S CA 1.328 59.645 58.200 0.195 0.000 0.993 331 S CB -0.265 62.986 63.200 0.086 0.000 0.970 331 S HN 0.620 nan 8.310 nan 0.000 0.446 332 G N -0.456 108.335 108.800 -0.016 0.000 2.350 332 G HA2 0.264 4.227 3.960 0.004 0.000 0.276 332 G HA3 0.264 4.227 3.960 0.004 0.000 0.276 332 G C 0.044 174.846 174.900 -0.165 0.000 1.313 332 G CA 0.039 45.042 45.100 -0.162 0.000 0.903 332 G HN 0.910 nan 8.290 nan 0.000 0.490 333 T N -2.151 112.268 114.554 -0.225 0.000 3.193 333 T HA 0.580 4.933 4.350 0.004 0.000 0.407 333 T C 1.346 175.968 174.700 -0.130 0.000 1.146 333 T CA 1.620 63.611 62.100 -0.182 0.000 1.085 333 T CB 0.079 68.815 68.868 -0.220 0.000 1.424 333 T HN 2.033 nan 8.240 nan 0.000 0.521 334 V N -2.178 117.666 119.914 -0.117 0.000 3.707 334 V HA 0.932 5.055 4.120 0.004 0.000 0.293 334 V C 0.622 176.655 176.094 -0.102 0.000 1.307 334 V CA -0.970 61.274 62.300 -0.093 0.000 0.971 334 V CB 0.458 32.236 31.823 -0.074 0.000 1.263 334 V HN 1.286 nan 8.190 nan 0.000 0.473 348 A N 3.572 126.374 122.820 -0.030 0.000 1.701 348 A HA 0.148 4.471 4.320 0.004 0.000 0.223 348 A C -1.940 175.623 177.584 -0.035 0.000 1.303 348 A CA 0.009 52.028 52.037 -0.031 0.000 0.689 348 A CB -1.815 17.168 19.000 -0.028 0.000 1.177 348 A HN 0.799 nan 8.150 nan 0.000 0.227 349 P HA -0.156 nan 4.420 nan 0.000 0.016 349 P C 0.434 177.708 177.300 -0.044 0.000 0.648 349 P CA 1.692 64.765 63.100 -0.044 0.000 1.035 349 P CB -0.644 31.029 31.700 -0.045 0.000 1.906 350 E N 1.436 121.607 120.200 -0.048 0.000 2.552 350 E HA -0.032 4.320 4.350 0.004 0.000 0.269 350 E C 0.970 177.539 176.600 -0.052 0.000 1.287 350 E CA 0.809 57.176 56.400 -0.054 0.000 1.120 350 E CB 0.391 30.051 29.700 -0.068 0.000 1.010 350 E HN 0.576 nan 8.360 nan 0.000 0.489 351 E N -0.390 119.774 120.200 -0.061 0.000 2.412 351 E HA 0.547 4.899 4.350 0.004 0.000 0.279 351 E C -1.173 175.377 176.600 -0.083 0.000 0.984 351 E CA -0.660 55.706 56.400 -0.057 0.000 0.788 351 E CB 1.084 30.759 29.700 -0.041 0.000 1.277 351 E HN 0.275 nan 8.360 nan 0.000 0.455 352 I N 2.447 122.965 120.570 -0.087 0.000 2.436 352 I HA 0.411 4.584 4.170 0.004 0.000 0.289 352 I C -0.433 175.624 176.117 -0.101 0.000 1.010 352 I CA -1.140 60.093 61.300 -0.111 0.000 1.098 352 I CB 1.711 39.629 38.000 -0.137 0.000 1.266 352 I HN 0.542 nan 8.210 nan 0.000 0.434 353 I N 4.656 125.157 120.570 -0.115 0.000 2.418 353 I HA 0.530 4.703 4.170 0.004 0.000 0.287 353 I C -0.648 175.372 176.117 -0.161 0.000 1.008 353 I CA -0.569 60.664 61.300 -0.111 0.000 1.104 353 I CB 1.666 39.611 38.000 -0.092 0.000 1.264 353 I HN 0.440 nan 8.210 nan 0.000 0.438 354 I N 6.564 127.028 120.570 -0.178 0.000 2.243 354 I HA 0.140 4.312 4.170 0.004 0.000 0.289 354 I C 0.061 176.057 176.117 -0.201 0.000 1.140 354 I CA -0.099 61.051 61.300 -0.251 0.000 1.289 354 I CB -0.067 37.666 38.000 -0.445 0.000 1.498 354 I HN 0.672 nan 8.210 nan 0.000 0.561 355 D N 5.220 125.446 120.400 -0.289 0.000 2.525 355 D HA 0.080 4.723 4.640 0.004 0.000 0.229 355 D C 0.393 176.144 176.300 -0.916 0.000 1.202 355 D CA -0.338 53.383 54.000 -0.465 0.000 0.828 355 D CB 0.395 41.017 40.800 -0.297 0.000 1.008 355 D HN 0.513 nan 8.370 nan 0.000 0.493 356 R N -1.307 118.735 120.500 -0.762 0.000 2.808 356 R HA 0.639 4.982 4.340 0.004 0.000 0.272 356 R C -3.324 172.921 176.300 -0.092 0.000 0.995 356 R CA -1.942 53.816 56.100 -0.570 0.000 0.917 356 R CB 0.477 30.630 30.300 -0.245 0.000 1.217 356 R HN -0.343 nan 8.270 nan 0.000 0.471 357 P HA -0.013 nan 4.420 nan 0.000 0.262 357 P C -1.243 176.278 177.300 0.369 0.000 1.182 357 P CA 0.326 63.670 63.100 0.407 0.000 0.761 357 P CB 0.100 31.935 31.700 0.226 0.000 0.795 358 F N 3.044 123.101 119.950 0.177 0.000 2.691 358 F HA 0.830 5.359 4.527 0.004 0.000 0.334 358 F C -1.337 174.552 175.800 0.149 0.000 1.107 358 F CA -1.883 56.198 58.000 0.135 0.000 0.991 358 F CB 0.554 39.643 39.000 0.148 0.000 1.400 358 F HN 0.089 nan 8.300 nan 0.000 0.503 359 L N 0.921 122.300 121.223 0.261 0.000 2.370 359 L HA 0.904 5.247 4.340 0.004 0.000 0.266 359 L C -1.233 175.835 176.870 0.330 0.000 1.002 359 L CA -1.045 53.862 54.840 0.111 0.000 0.818 359 L CB 1.835 43.932 42.059 0.063 0.000 1.325 359 L HN 0.799 nan 8.230 nan 0.000 0.418 360 F N 0.721 120.774 119.950 0.172 0.000 2.611 360 F HA 1.004 5.533 4.527 0.004 0.000 0.324 360 F C -1.039 174.914 175.800 0.255 0.000 1.061 360 F CA -1.378 56.808 58.000 0.309 0.000 0.954 360 F CB 1.803 41.056 39.000 0.421 0.000 1.301 360 F HN 0.367 nan 8.300 nan 0.000 0.482 361 V N 1.664 121.899 119.914 0.535 0.000 2.851 361 V HA 0.550 4.673 4.120 0.004 0.000 0.307 361 V C -1.171 175.258 176.094 0.558 0.000 1.129 361 V CA -0.819 61.705 62.300 0.372 0.000 0.932 361 V CB 1.708 33.693 31.823 0.270 0.000 1.024 361 V HN 0.833 nan 8.190 nan 0.000 0.426 362 V N 5.132 125.309 119.914 0.438 0.000 2.448 362 V HA 0.702 4.824 4.120 0.004 0.000 0.295 362 V C 0.019 176.267 176.094 0.257 0.000 1.025 362 V CA -0.606 61.935 62.300 0.402 0.000 0.859 362 V CB 1.765 33.710 31.823 0.204 0.000 0.988 362 V HN 1.031 nan 8.190 nan 0.000 0.431 363 R N 2.752 123.438 120.500 0.311 0.000 2.888 363 R HA 0.544 4.886 4.340 0.004 0.000 0.266 363 R C -0.772 175.653 176.300 0.210 0.000 1.020 363 R CA -0.872 55.347 56.100 0.198 0.000 0.963 363 R CB 1.876 32.275 30.300 0.166 0.000 1.197 363 R HN 0.791 nan 8.270 nan 0.000 0.481 364 H N 2.746 121.821 119.070 0.009 0.000 2.787 364 H HA 0.128 4.686 4.556 0.004 0.000 0.275 364 H C -0.105 175.216 175.328 -0.012 0.000 1.183 364 H CA -0.562 55.459 56.048 -0.044 0.000 1.290 364 H CB 0.865 30.550 29.762 -0.128 0.000 1.438 364 H HN 0.639 nan 8.280 nan 0.000 0.487 365 N N 5.281 123.899 118.700 -0.137 0.000 2.060 365 N HA -0.153 4.590 4.740 0.004 0.000 0.195 365 N C -1.006 174.361 175.510 -0.237 0.000 1.028 365 N CA 1.160 54.143 53.050 -0.112 0.000 0.861 365 N CB -1.245 37.227 38.487 -0.025 0.000 1.029 365 N HN 0.602 nan 8.380 nan 0.000 0.428 366 P HA -0.039 nan 4.420 nan 0.000 0.225 366 P C 1.147 178.314 177.300 -0.221 0.000 1.148 366 P CA 1.461 64.341 63.100 -0.367 0.000 0.779 366 P CB -0.018 31.385 31.700 -0.495 0.000 0.780 367 T N -7.534 106.896 114.554 -0.207 0.000 2.958 367 T HA 0.370 4.722 4.350 0.004 0.000 0.256 367 T C 1.509 176.223 174.700 0.023 0.000 0.983 367 T CA 0.480 62.581 62.100 0.001 0.000 0.924 367 T CB -0.286 68.680 68.868 0.163 0.000 1.136 367 T HN 0.131 nan 8.240 nan 0.000 0.506 368 G N 1.834 110.635 108.800 0.001 0.000 2.143 368 G HA2 -0.246 3.717 3.960 0.004 0.000 0.248 368 G HA3 -0.246 3.717 3.960 0.004 0.000 0.248 368 G C 0.093 175.018 174.900 0.041 0.000 0.991 368 G CA 0.228 45.341 45.100 0.022 0.000 0.689 368 G HN 0.744 nan 8.290 nan 0.000 0.522 369 T N 0.824 115.412 114.554 0.056 0.000 2.799 369 T HA 0.398 4.751 4.350 0.004 0.000 0.296 369 T C 0.767 175.471 174.700 0.007 0.000 0.947 369 T CA -0.084 62.035 62.100 0.031 0.000 1.141 369 T CB 2.028 70.874 68.868 -0.037 0.000 0.891 369 T HN 0.433 nan 8.240 nan 0.000 0.533 370 V N 6.586 126.504 119.914 0.007 0.000 2.352 370 V HA 0.104 4.227 4.120 0.004 0.000 0.253 370 V C 1.366 177.432 176.094 -0.046 0.000 1.083 370 V CA 0.029 62.321 62.300 -0.013 0.000 0.993 370 V CB -0.486 31.323 31.823 -0.024 0.000 1.111 370 V HN 0.842 nan 8.190 nan 0.000 0.490 371 L N 3.902 125.056 121.223 -0.114 0.000 1.993 371 L HA 0.160 4.503 4.340 0.004 0.000 0.206 371 L C 0.484 177.004 176.870 -0.582 0.000 1.074 371 L CA 1.611 56.248 54.840 -0.337 0.000 0.746 371 L CB -0.119 41.738 42.059 -0.337 0.000 0.896 371 L HN 0.379 nan 8.230 nan 0.000 0.435 372 F N -1.430 118.495 119.950 -0.043 0.000 2.575 372 F HA 0.661 5.191 4.527 0.004 0.000 0.330 372 F C 0.020 175.803 175.800 -0.030 0.000 1.056 372 F CA -0.637 57.367 58.000 0.006 0.000 0.964 372 F CB 1.857 40.888 39.000 0.051 0.000 1.258 372 F HN -0.184 nan 8.300 nan 0.000 0.484 373 M N 0.695 120.311 119.600 0.026 0.000 2.605 373 M HA 0.637 5.120 4.480 0.004 0.000 0.281 373 M C -1.512 174.255 176.300 -0.889 0.000 1.166 373 M CA -0.162 54.845 55.300 -0.489 0.000 0.875 373 M CB 2.473 34.720 32.600 -0.589 0.000 1.732 373 M HN 0.818 nan 8.290 nan 0.000 0.504 374 G N 2.198 110.179 108.800 -1.365 0.000 2.325 374 G HA2 0.370 4.333 3.960 0.004 0.000 0.297 374 G HA3 0.370 4.333 3.960 0.004 0.000 0.297 374 G C -2.554 171.924 174.900 -0.703 0.000 1.448 374 G CA -0.719 43.826 45.100 -0.926 0.000 0.838 374 G HN 0.891 nan 8.290 nan 0.000 0.579 375 Q N -1.047 118.667 119.800 -0.144 0.000 2.306 375 Q HA 0.738 5.080 4.340 0.004 0.000 0.265 375 Q C -1.267 174.639 176.000 -0.157 0.000 1.022 375 Q CA -1.223 54.514 55.803 -0.109 0.000 0.853 375 Q CB 2.818 31.566 28.738 0.017 0.000 1.327 375 Q HN 1.387 nan 8.270 nan 0.000 0.449 376 V N 5.046 124.734 119.914 -0.375 0.000 2.340 376 V HA 0.217 4.340 4.120 0.004 0.000 0.277 376 V C 0.053 175.957 176.094 -0.318 0.000 1.017 376 V CA -0.665 61.330 62.300 -0.509 0.000 0.820 376 V CB 1.129 32.295 31.823 -1.094 0.000 1.028 376 V HN 0.972 nan 8.190 nan 0.000 0.436 377 M N 3.078 122.590 119.600 -0.146 0.000 2.558 377 M HA 0.383 4.865 4.480 0.004 0.000 0.255 377 M C 0.606 176.880 176.300 -0.043 0.000 1.113 377 M CA 0.633 55.939 55.300 0.010 0.000 1.097 377 M CB -0.694 31.916 32.600 0.015 0.000 1.426 377 M HN 0.815 nan 8.290 nan 0.000 0.488 378 E N 1.265 121.292 120.200 -0.288 0.000 2.531 378 E HA 0.242 4.594 4.350 0.004 0.000 0.323 378 E C -2.618 173.732 176.600 -0.417 0.000 0.908 378 E CA -1.003 55.130 56.400 -0.446 0.000 0.792 378 E CB 2.517 32.111 29.700 -0.177 0.000 1.360 378 E HN -0.054 nan 8.360 nan 0.000 0.394 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.959 63.100 -0.235 0.000 0.800 379 P CB 0.000 31.593 31.700 -0.178 0.000 0.726