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 3ofl_1_K DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAG 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.630 177.584 0.076 0.000 1.274 20 A CA 0.000 52.059 52.037 0.037 0.000 0.836 20 A CB 0.000 19.028 19.000 0.046 0.000 0.831 21 V N 1.866 121.780 119.914 0.001 0.000 2.732 21 V HA 0.583 4.703 4.120 0.000 0.000 0.297 21 V C 0.250 176.274 176.094 -0.116 0.000 1.060 21 V CA -0.268 62.030 62.300 -0.004 0.000 1.038 21 V CB 1.491 33.200 31.823 -0.191 0.000 1.003 21 V HN 0.827 nan 8.190 nan 0.000 0.481 22 V N 2.561 122.491 119.914 0.028 0.000 2.823 22 V HA 0.395 4.516 4.120 0.000 0.000 0.312 22 V C 0.070 176.166 176.094 0.003 0.000 1.072 22 V CA -1.102 61.154 62.300 -0.072 0.000 0.937 22 V CB 2.015 33.817 31.823 -0.035 0.000 1.013 22 V HN 0.848 nan 8.190 nan 0.000 0.430 23 N N 2.224 120.937 118.700 0.021 0.000 2.434 23 N HA -0.031 4.709 4.740 0.000 0.000 0.268 23 N C 1.571 177.077 175.510 -0.006 0.000 1.256 23 N CA 0.850 53.978 53.050 0.131 0.000 0.914 23 N CB 1.622 40.201 38.487 0.154 0.000 1.088 23 N HN 1.036 nan 8.380 nan 0.000 0.478 24 T N 0.288 114.806 114.554 -0.060 0.000 2.792 24 T HA -0.200 4.150 4.350 0.000 0.000 0.268 24 T C 0.841 175.258 174.700 -0.473 0.000 1.059 24 T CA 1.276 63.085 62.100 -0.484 0.000 1.136 24 T CB -0.015 68.733 68.868 -0.201 0.000 0.846 24 T HN 0.420 nan 8.240 nan 0.000 0.489 25 D N 1.303 121.590 120.400 -0.189 0.000 2.392 25 D HA 0.000 4.640 4.640 0.000 0.000 0.228 25 D C 1.051 177.300 176.300 -0.086 0.000 1.003 25 D CA 0.604 54.534 54.000 -0.117 0.000 0.917 25 D CB -0.148 40.628 40.800 -0.040 0.000 0.890 25 D HN 0.504 nan 8.370 nan 0.000 0.532 26 D N -1.115 119.226 120.400 -0.098 0.000 2.389 26 D HA -0.015 4.625 4.640 0.000 0.000 0.206 26 D C 1.011 177.359 176.300 0.080 0.000 1.055 26 D CA 0.297 54.302 54.000 0.008 0.000 0.856 26 D CB 0.271 41.104 40.800 0.054 0.000 0.957 26 D HN 0.454 nan 8.370 nan 0.000 0.509 27 Y N -2.247 118.058 120.300 0.009 0.000 2.672 27 Y HA 0.486 5.036 4.550 0.000 0.000 0.252 27 Y C -0.405 175.536 175.900 0.068 0.000 1.132 27 Y CA -0.544 57.569 58.100 0.022 0.000 1.228 27 Y CB 0.276 38.728 38.460 -0.012 0.000 1.310 27 Y HN -0.316 nan 8.280 nan 0.000 0.549 28 V N 2.280 122.138 119.914 -0.094 0.000 2.327 28 V HA 0.270 4.390 4.120 0.000 0.000 0.272 28 V C -0.122 175.937 176.094 -0.057 0.000 1.019 28 V CA -0.593 61.672 62.300 -0.058 0.000 0.814 28 V CB 0.821 32.541 31.823 -0.173 0.000 1.040 28 V HN 0.366 nan 8.190 nan 0.000 0.440 29 T N 5.103 119.647 114.554 -0.018 0.000 2.870 29 T HA 0.353 4.703 4.350 0.000 0.000 0.300 29 T C 0.326 175.000 174.700 -0.045 0.000 0.989 29 T CA -0.169 61.918 62.100 -0.022 0.000 1.139 29 T CB 0.535 69.401 68.868 -0.004 0.000 0.920 29 T HN 0.484 nan 8.240 nan 0.000 0.537 30 R N 1.721 122.197 120.500 -0.040 0.000 2.486 30 R HA 0.519 4.859 4.340 0.000 0.000 0.286 30 R C 1.001 177.267 176.300 -0.057 0.000 0.999 30 R CA -0.692 55.374 56.100 -0.057 0.000 0.993 30 R CB 1.120 31.397 30.300 -0.038 0.000 1.084 30 R HN 0.807 nan 8.270 nan 0.000 0.487 31 T N -2.193 112.302 114.554 -0.098 0.000 2.902 31 T HA 0.180 4.530 4.350 0.000 0.000 0.287 31 T C 0.965 175.580 174.700 -0.141 0.000 1.048 31 T CA -0.528 61.518 62.100 -0.090 0.000 0.941 31 T CB 1.034 69.850 68.868 -0.087 0.000 1.432 31 T HN 0.534 nan 8.240 nan 0.000 0.586 32 S N -1.071 114.571 115.700 -0.096 0.000 2.663 32 S HA 0.344 4.814 4.470 0.000 0.000 0.243 32 S C -0.209 174.353 174.600 -0.064 0.000 1.009 32 S CA -0.610 57.566 58.200 -0.039 0.000 0.988 32 S CB -0.601 62.662 63.200 0.106 0.000 0.896 32 S HN 0.490 nan 8.310 nan 0.000 0.502 33 I N 2.843 123.313 120.570 -0.167 0.000 2.312 33 I HA 0.477 4.647 4.170 0.000 0.000 0.291 33 I C -0.750 175.324 176.117 -0.071 0.000 1.031 33 I CA -0.552 60.758 61.300 0.016 0.000 1.293 33 I CB -0.090 38.005 38.000 0.159 0.000 1.403 33 I HN 0.152 nan 8.210 nan 0.000 0.484 34 F N 5.762 125.859 119.950 0.244 0.000 2.522 34 F HA 0.614 5.141 4.527 0.000 0.000 0.324 34 F C -0.348 175.582 175.800 0.217 0.000 1.077 34 F CA -0.673 57.468 58.000 0.234 0.000 0.944 34 F CB 1.375 40.415 39.000 0.066 0.000 1.175 34 F HN 0.199 nan 8.300 nan 0.000 0.468 35 Y N 0.149 120.581 120.300 0.220 0.000 2.633 35 Y HA 0.438 4.988 4.550 0.000 0.000 0.339 35 Y C -0.519 175.318 175.900 -0.105 0.000 1.045 35 Y CA -1.072 57.087 58.100 0.098 0.000 1.098 35 Y CB 1.618 40.160 38.460 0.136 0.000 1.296 35 Y HN 0.491 nan 8.280 nan 0.000 0.494 36 H N 0.986 119.967 119.070 -0.148 0.000 2.609 36 H HA 0.831 5.387 4.556 0.000 0.000 0.344 36 H C -1.879 173.122 175.328 -0.546 0.000 1.040 36 H CA -0.731 55.095 56.048 -0.369 0.000 1.216 36 H CB 1.412 30.938 29.762 -0.394 0.000 1.529 36 H HN 0.817 nan 8.280 nan 0.000 0.519 37 A N 3.132 125.434 122.820 -0.865 0.000 2.435 37 A HA 0.759 5.079 4.320 0.000 0.000 0.304 37 A C -0.617 176.686 177.584 -0.467 0.000 1.064 37 A CA -0.191 51.488 52.037 -0.595 0.000 0.727 37 A CB 1.798 20.302 19.000 -0.828 0.000 1.284 37 A HN 0.864 nan 8.150 nan 0.000 0.415 38 G N 0.359 109.059 108.800 -0.167 0.000 2.746 38 G HA2 0.596 4.556 3.960 0.000 0.000 0.297 38 G HA3 0.596 4.556 3.960 0.000 0.000 0.297 38 G C -0.221 174.668 174.900 -0.017 0.000 1.426 38 G CA 0.231 45.275 45.100 -0.093 0.000 0.989 38 G HN 1.479 nan 8.290 nan 0.000 0.520 39 S N 0.457 116.129 115.700 -0.047 0.000 2.617 39 S HA 0.534 5.004 4.470 0.000 0.000 0.259 39 S C 1.640 176.226 174.600 -0.023 0.000 1.301 39 S CA 0.463 58.636 58.200 -0.044 0.000 0.984 39 S CB 1.223 64.344 63.200 -0.132 0.000 0.954 39 S HN 1.437 nan 8.310 nan 0.000 0.572 40 S N 0.817 116.517 115.700 -0.000 0.000 2.326 40 S HA 0.109 4.579 4.470 0.000 0.000 0.177 40 S C 0.634 175.232 174.600 -0.003 0.000 1.249 40 S CA 0.016 58.229 58.200 0.021 0.000 1.797 40 S CB -0.493 62.733 63.200 0.043 0.000 0.744 40 S HN 0.951 nan 8.310 nan 0.000 0.375 41 R N 0.391 120.897 120.500 0.011 0.000 2.575 41 R HA 0.425 4.765 4.340 0.000 0.000 0.292 41 R C -1.702 174.625 176.300 0.045 0.000 1.246 41 R CA -0.409 55.694 56.100 0.006 0.000 0.973 41 R CB 0.366 30.677 30.300 0.019 0.000 1.187 41 R HN 0.512 nan 8.270 nan 0.000 0.478 42 L N 4.845 126.073 121.223 0.008 0.000 2.410 42 L HA 0.338 4.678 4.340 0.000 0.000 0.273 42 L C -0.346 176.663 176.870 0.231 0.000 1.152 42 L CA -0.266 54.633 54.840 0.099 0.000 0.855 42 L CB 0.695 42.593 42.059 -0.268 0.000 1.129 42 L HN 0.480 nan 8.230 nan 0.000 0.463 43 L N 3.115 124.565 121.223 0.380 0.000 2.465 43 L HA 0.792 5.132 4.340 0.000 0.000 0.257 43 L C -0.676 176.385 176.870 0.320 0.000 0.988 43 L CA 0.077 55.098 54.840 0.302 0.000 0.827 43 L CB 2.652 44.805 42.059 0.157 0.000 1.397 43 L HN 0.590 nan 8.230 nan 0.000 0.410 44 T N 2.550 117.234 114.554 0.218 0.000 3.225 44 T HA 0.638 4.988 4.350 0.000 0.000 0.356 44 T C -1.738 172.977 174.700 0.026 0.000 1.460 44 T CA 0.092 62.253 62.100 0.101 0.000 1.126 44 T CB 0.781 69.691 68.868 0.070 0.000 1.321 44 T HN 1.196 nan 8.240 nan 0.000 0.478 45 V N 1.489 121.396 119.914 -0.012 0.000 3.001 45 V HA 1.129 5.249 4.120 0.000 0.000 0.314 45 V C 0.257 176.330 176.094 -0.036 0.000 1.099 45 V CA 0.115 62.393 62.300 -0.036 0.000 0.989 45 V CB 1.328 33.135 31.823 -0.028 0.000 1.040 45 V HN 1.554 nan 8.190 nan 0.000 0.434 46 G N 0.713 109.491 108.800 -0.036 0.000 2.320 46 G HA2 0.294 4.254 3.960 0.000 0.000 0.296 46 G HA3 0.294 4.254 3.960 0.000 0.000 0.296 46 G C -1.928 172.937 174.900 -0.059 0.000 1.306 46 G CA -0.288 44.789 45.100 -0.038 0.000 0.836 46 G HN 0.981 nan 8.290 nan 0.000 0.517 47 D N 0.482 120.819 120.400 -0.105 0.000 2.350 47 D HA 0.290 4.930 4.640 0.000 0.000 0.249 47 D C -1.231 174.916 176.300 -0.256 0.000 1.119 47 D CA -1.476 52.383 54.000 -0.236 0.000 0.886 47 D CB 2.241 42.828 40.800 -0.354 0.000 1.195 47 D HN 0.058 nan 8.370 nan 0.000 0.437 48 P HA -0.031 nan 4.420 nan 0.000 0.245 48 P C 0.508 177.660 177.300 -0.247 0.000 1.206 48 P CA 0.708 63.603 63.100 -0.341 0.000 0.781 48 P CB 0.106 31.505 31.700 -0.500 0.000 0.994 49 Y N -0.390 119.775 120.300 -0.225 0.000 2.581 49 Y HA 0.263 4.813 4.550 0.000 0.000 0.271 49 Y C 0.838 176.733 175.900 -0.007 0.000 1.100 49 Y CA -0.724 57.292 58.100 -0.141 0.000 1.281 49 Y CB 0.478 38.840 38.460 -0.164 0.000 1.237 49 Y HN -0.182 nan 8.280 nan 0.000 0.514 50 F N -0.792 119.264 119.950 0.176 0.000 2.746 50 F HA 0.440 4.967 4.527 0.000 0.000 0.311 50 F C -1.047 174.799 175.800 0.076 0.000 1.135 50 F CA -2.218 55.849 58.000 0.112 0.000 0.954 50 F CB 0.588 39.647 39.000 0.098 0.000 1.276 50 F HN -0.167 nan 8.300 nan 0.000 0.440 51 R N 1.157 121.835 120.500 0.297 0.000 2.491 51 R HA 0.660 5.000 4.340 0.000 0.000 0.283 51 R C -1.422 175.056 176.300 0.298 0.000 1.072 51 R CA -0.665 55.552 56.100 0.196 0.000 1.048 51 R CB 1.030 31.401 30.300 0.119 0.000 0.983 51 R HN 0.539 nan 8.270 nan 0.000 0.450 52 V N 5.188 125.230 119.914 0.215 0.000 2.368 52 V HA 0.215 4.335 4.120 0.000 0.000 0.266 52 V C -1.920 174.253 176.094 0.132 0.000 1.045 52 V CA -2.159 60.276 62.300 0.225 0.000 0.899 52 V CB 0.898 32.840 31.823 0.198 0.000 1.006 52 V HN 0.806 nan 8.190 nan 0.000 0.470 53 P HA 0.026 nan 4.420 nan 0.000 0.256 53 P C 0.319 177.654 177.300 0.058 0.000 1.173 53 P CA 0.450 63.591 63.100 0.068 0.000 0.768 53 P CB 0.268 31.999 31.700 0.052 0.000 0.758 54 A N 4.607 127.454 122.820 0.044 0.000 2.632 54 A HA 0.285 4.605 4.320 0.000 0.000 0.229 54 A C 1.847 179.450 177.584 0.032 0.000 1.047 54 A CA 0.776 52.834 52.037 0.034 0.000 0.754 54 A CB -1.065 17.948 19.000 0.022 0.000 0.969 54 A HN 0.908 nan 8.150 nan 0.000 0.509 55 G N 1.105 109.923 108.800 0.030 0.000 2.216 55 G HA2 -0.220 3.740 3.960 0.000 0.000 0.269 55 G HA3 -0.220 3.740 3.960 0.000 0.000 0.269 55 G C 1.433 176.352 174.900 0.032 0.000 0.981 55 G CA 1.430 46.546 45.100 0.027 0.000 0.658 55 G HN 2.070 nan 8.290 nan 0.000 0.539 56 G N -0.404 108.421 108.800 0.041 0.000 2.470 56 G HA2 0.285 4.245 3.960 0.000 0.000 0.220 56 G HA3 0.285 4.245 3.960 0.000 0.000 0.220 56 G C 1.369 176.298 174.900 0.047 0.000 1.121 56 G CA 1.838 46.963 45.100 0.042 0.000 0.766 56 G HN 1.564 nan 8.290 nan 0.000 0.553 57 G N -0.584 108.250 108.800 0.056 0.000 2.512 57 G HA2 0.214 4.174 3.960 0.000 0.000 0.193 57 G HA3 0.214 4.174 3.960 0.000 0.000 0.193 57 G C 0.114 175.039 174.900 0.041 0.000 1.278 57 G CA 0.416 45.552 45.100 0.059 0.000 0.722 57 G HN 0.579 nan 8.290 nan 0.000 0.925 58 N N 0.170 118.892 118.700 0.035 0.000 2.405 58 N HA 0.175 4.915 4.740 0.000 0.000 0.274 58 N C -1.055 174.464 175.510 0.014 0.000 1.170 58 N CA -0.696 52.364 53.050 0.016 0.000 0.848 58 N CB 1.953 40.440 38.487 0.000 0.000 1.629 58 N HN 0.059 nan 8.380 nan 0.000 0.481 59 K N 1.214 121.617 120.400 0.006 0.000 2.550 59 K HA -0.134 4.186 4.320 0.000 0.000 0.280 59 K C -0.358 176.245 176.600 0.004 0.000 0.987 59 K CA 0.564 56.854 56.287 0.005 0.000 1.048 59 K CB 0.170 32.670 32.500 0.001 0.000 0.879 59 K HN 0.733 nan 8.250 nan 0.000 0.491 60 Q N 1.736 121.540 119.800 0.006 0.000 3.117 60 Q HA -0.160 4.180 4.340 0.000 0.000 0.025 60 Q C -1.621 174.386 176.000 0.010 0.000 1.677 60 Q CA 1.364 57.169 55.803 0.004 0.000 0.231 60 Q CB -0.243 28.493 28.738 -0.003 0.000 1.698 60 Q HN 0.836 nan 8.270 nan 0.000 0.319 61 D N 1.787 122.192 120.400 0.008 0.000 2.313 61 D HA 0.351 4.991 4.640 0.000 0.000 0.247 61 D C 0.209 176.515 176.300 0.011 0.000 1.094 61 D CA -0.123 53.887 54.000 0.017 0.000 0.925 61 D CB 0.502 41.310 40.800 0.013 0.000 1.188 61 D HN 0.369 nan 8.370 nan 0.000 0.430 62 I N 2.812 123.396 120.570 0.024 0.000 2.347 62 I HA 0.220 4.390 4.170 0.000 0.000 0.283 62 I C -2.279 173.842 176.117 0.008 0.000 1.058 62 I CA -2.430 58.876 61.300 0.011 0.000 1.202 62 I CB 0.196 38.209 38.000 0.023 0.000 1.386 62 I HN -0.132 nan 8.210 nan 0.000 0.475 63 P HA -0.045 nan 4.420 nan 0.000 0.266 63 P C -0.003 177.292 177.300 -0.009 0.000 1.186 63 P CA -0.014 63.077 63.100 -0.016 0.000 0.767 63 P CB 0.680 32.351 31.700 -0.050 0.000 0.820 64 K N 2.658 123.065 120.400 0.012 0.000 2.273 64 K HA 0.277 4.597 4.320 0.000 0.000 0.287 64 K C -1.286 175.335 176.600 0.034 0.000 1.089 64 K CA -0.358 55.941 56.287 0.021 0.000 0.909 64 K CB 0.001 32.543 32.500 0.071 0.000 1.123 64 K HN 0.161 nan 8.250 nan 0.000 0.473 65 V N 3.523 123.456 119.914 0.033 0.000 2.326 65 V HA 0.241 4.361 4.120 0.000 0.000 0.281 65 V C -0.256 175.949 176.094 0.185 0.000 1.015 65 V CA -0.697 61.650 62.300 0.078 0.000 0.823 65 V CB 1.074 32.912 31.823 0.025 0.000 1.009 65 V HN 0.786 nan 8.190 nan 0.000 0.436 66 S N 3.310 119.149 115.700 0.231 0.000 2.677 66 S HA 0.792 5.262 4.470 0.000 0.000 0.304 66 S C 1.070 175.854 174.600 0.307 0.000 1.108 66 S CA 0.234 58.620 58.200 0.308 0.000 0.944 66 S CB 2.183 65.557 63.200 0.289 0.000 1.127 66 S HN 0.860 nan 8.310 nan 0.000 0.511 67 A N 1.319 124.249 122.820 0.184 0.000 2.072 67 A HA 0.238 4.558 4.320 0.000 0.000 0.216 67 A C 0.274 177.736 177.584 -0.202 0.000 1.156 67 A CA 0.608 52.639 52.037 -0.009 0.000 0.701 67 A CB -0.507 18.314 19.000 -0.298 0.000 0.816 67 A HN 0.795 nan 8.150 nan 0.000 0.458 68 Y N 1.439 121.833 120.300 0.158 0.000 2.960 68 Y HA 0.346 4.896 4.550 0.000 0.000 0.393 68 Y C 0.356 176.293 175.900 0.061 0.000 1.118 68 Y CA -0.195 57.962 58.100 0.095 0.000 1.850 68 Y CB -0.361 38.159 38.460 0.100 0.000 1.827 68 Y HN 0.532 nan 8.280 nan 0.000 0.463 69 Q N -1.700 118.175 119.800 0.125 0.000 2.295 69 Q HA 0.372 4.712 4.340 0.000 0.000 0.268 69 Q C -1.483 174.579 176.000 0.102 0.000 1.010 69 Q CA -1.219 54.666 55.803 0.135 0.000 0.856 69 Q CB 1.153 29.998 28.738 0.178 0.000 1.349 69 Q HN 0.209 nan 8.270 nan 0.000 0.412 70 Y N 1.042 121.396 120.300 0.090 0.000 2.757 70 Y HA 0.079 4.629 4.550 0.000 0.000 0.344 70 Y C 0.534 176.433 175.900 -0.002 0.000 1.263 70 Y CA 0.197 58.329 58.100 0.053 0.000 1.493 70 Y CB 0.598 39.081 38.460 0.037 0.000 1.342 70 Y HN 0.346 nan 8.280 nan 0.000 0.627 71 R N 1.886 122.428 120.500 0.070 0.000 2.409 71 R HA 0.475 4.815 4.340 0.000 0.000 0.313 71 R C -1.780 174.311 176.300 -0.348 0.000 0.953 71 R CA -0.756 55.200 56.100 -0.241 0.000 0.849 71 R CB 1.487 31.499 30.300 -0.479 0.000 1.171 71 R HN 0.423 nan 8.270 nan 0.000 0.458 72 V N 5.297 125.032 119.914 -0.298 0.000 2.350 72 V HA 0.448 4.568 4.120 0.000 0.000 0.285 72 V C -0.463 175.470 176.094 -0.268 0.000 1.014 72 V CA -0.716 61.490 62.300 -0.156 0.000 0.831 72 V CB 1.037 32.948 31.823 0.146 0.000 1.000 72 V HN 0.472 nan 8.190 nan 0.000 0.433 73 F N 3.413 123.340 119.950 -0.039 0.000 2.420 73 F HA 0.569 5.096 4.527 0.000 0.000 0.342 73 F C 0.705 176.337 175.800 -0.280 0.000 1.113 73 F CA -0.605 57.319 58.000 -0.127 0.000 1.059 73 F CB 1.298 40.158 39.000 -0.233 0.000 1.128 73 F HN 0.322 nan 8.300 nan 0.000 0.475 74 R N 3.579 123.979 120.500 -0.166 0.000 2.369 74 R HA 0.459 4.799 4.340 0.000 0.000 0.310 74 R C -1.461 174.634 176.300 -0.342 0.000 1.141 74 R CA -0.369 55.369 56.100 -0.603 0.000 1.116 74 R CB 0.472 30.407 30.300 -0.609 0.000 1.135 74 R HN 0.578 nan 8.270 nan 0.000 0.529 75 V N 4.249 123.957 119.914 -0.343 0.000 2.508 75 V HA 0.028 4.148 4.120 0.000 0.000 0.281 75 V C 0.223 176.169 176.094 -0.247 0.000 1.041 75 V CA -0.062 62.094 62.300 -0.239 0.000 1.016 75 V CB 1.205 32.853 31.823 -0.293 0.000 0.984 75 V HN 0.638 nan 8.190 nan 0.000 0.478 76 Q N 5.025 124.729 119.800 -0.160 0.000 2.398 76 Q HA 0.518 4.858 4.340 0.000 0.000 0.251 76 Q C -0.843 175.071 176.000 -0.143 0.000 0.999 76 Q CA -0.046 55.681 55.803 -0.127 0.000 0.874 76 Q CB 0.972 29.670 28.738 -0.065 0.000 1.215 76 Q HN 0.704 nan 8.270 nan 0.000 0.470 77 L N 5.247 126.352 121.223 -0.196 0.000 2.439 77 L HA 0.651 4.991 4.340 0.000 0.000 0.259 77 L C -1.864 174.833 176.870 -0.289 0.000 1.129 77 L CA -2.221 52.428 54.840 -0.319 0.000 0.803 77 L CB 0.791 42.568 42.059 -0.471 0.000 1.161 77 L HN 0.565 nan 8.230 nan 0.000 0.462 78 P HA 0.027 nan 4.420 nan 0.000 0.282 78 P C -1.159 175.988 177.300 -0.254 0.000 1.249 78 P CA -0.408 62.448 63.100 -0.406 0.000 0.806 78 P CB 0.967 32.224 31.700 -0.738 0.000 0.984 79 D N 4.066 124.366 120.400 -0.166 0.000 2.382 79 D HA 0.011 4.651 4.640 0.000 0.000 0.259 79 D C -1.009 175.147 176.300 -0.239 0.000 1.224 79 D CA -1.804 52.112 54.000 -0.140 0.000 0.894 79 D CB 0.744 41.519 40.800 -0.042 0.000 1.127 79 D HN 0.219 nan 8.370 nan 0.000 0.487 80 P HA -0.164 nan 4.420 nan 0.000 0.218 80 P C 0.803 177.897 177.300 -0.344 0.000 1.148 80 P CA 0.861 63.548 63.100 -0.689 0.000 0.822 80 P CB 0.552 31.461 31.700 -1.317 0.000 0.784 81 N N 1.071 119.610 118.700 -0.269 0.000 2.109 81 N HA -0.079 4.661 4.740 0.000 0.000 0.188 81 N C 1.294 176.790 175.510 -0.023 0.000 1.034 81 N CA 1.142 54.097 53.050 -0.158 0.000 0.846 81 N CB -0.464 37.941 38.487 -0.137 0.000 1.010 81 N HN 0.318 nan 8.380 nan 0.000 0.425 82 K N 0.166 120.571 120.400 0.008 0.000 2.665 82 K HA 0.083 4.403 4.320 0.000 0.000 0.214 82 K C -0.428 176.241 176.600 0.116 0.000 1.032 82 K CA -0.167 56.150 56.287 0.050 0.000 1.198 82 K CB -0.219 32.308 32.500 0.045 0.000 0.941 82 K HN 0.037 nan 8.250 nan 0.000 0.491 83 F N 0.768 120.661 119.950 -0.095 0.000 2.469 83 F HA 0.432 4.959 4.527 0.000 0.000 0.332 83 F C 0.518 176.293 175.800 -0.042 0.000 1.103 83 F CA -1.381 56.570 58.000 -0.082 0.000 0.979 83 F CB 1.194 40.105 39.000 -0.147 0.000 1.137 83 F HN -0.005 nan 8.300 nan 0.000 0.463 84 G N 6.703 115.102 108.800 -0.668 0.000 2.343 84 G HA2 0.402 4.362 3.960 0.000 0.000 0.254 84 G HA3 0.402 4.362 3.960 0.000 0.000 0.254 84 G C -0.734 173.791 174.900 -0.624 0.000 1.277 84 G CA -0.448 44.338 45.100 -0.523 0.000 0.909 84 G HN 0.696 nan 8.290 nan 0.000 0.502 85 L N 3.939 125.026 121.223 -0.225 0.000 2.375 85 L HA 0.371 4.711 4.340 0.000 0.000 0.268 85 L C -0.766 176.107 176.870 0.006 0.000 1.058 85 L CA -1.979 52.834 54.840 -0.046 0.000 0.803 85 L CB 2.162 44.234 42.059 0.023 0.000 1.212 85 L HN 0.398 nan 8.230 nan 0.000 0.451 86 P HA -0.069 nan 4.420 nan 0.000 0.231 86 P C -0.560 176.766 177.300 0.043 0.000 1.158 86 P CA 1.001 64.139 63.100 0.064 0.000 0.763 86 P CB 0.143 31.893 31.700 0.085 0.000 0.805 87 D N -2.141 118.287 120.400 0.047 0.000 2.711 87 D HA 0.088 4.728 4.640 0.000 0.000 0.204 87 D C -0.792 175.541 176.300 0.055 0.000 1.257 87 D CA -0.334 53.691 54.000 0.041 0.000 0.808 87 D CB 0.166 40.993 40.800 0.045 0.000 1.780 87 D HN -0.381 nan 8.370 nan 0.000 0.537 88 T N 1.677 116.262 114.554 0.052 0.000 3.240 88 T HA 0.274 4.624 4.350 0.000 0.000 0.248 88 T C 0.689 175.442 174.700 0.089 0.000 0.929 88 T CA 0.227 62.385 62.100 0.097 0.000 0.939 88 T CB -0.188 68.722 68.868 0.070 0.000 1.114 88 T HN 0.380 nan 8.240 nan 0.000 0.558 89 S N 0.045 115.793 115.700 0.080 0.000 2.809 89 S HA 0.260 4.730 4.470 0.000 0.000 0.248 89 S C 1.116 175.764 174.600 0.081 0.000 1.071 89 S CA -0.514 57.716 58.200 0.050 0.000 1.059 89 S CB -0.236 62.976 63.200 0.020 0.000 0.923 89 S HN 0.257 nan 8.310 nan 0.000 0.516 90 I N 1.262 121.922 120.570 0.150 0.000 3.030 90 I HA 0.264 4.434 4.170 0.000 0.000 0.270 90 I C 0.816 177.050 176.117 0.196 0.000 1.211 90 I CA 0.395 61.768 61.300 0.123 0.000 1.479 90 I CB -1.221 36.814 38.000 0.059 0.000 1.105 90 I HN 0.728 nan 8.210 nan 0.000 0.447 91 Y N -0.492 119.773 120.300 -0.058 0.000 2.764 91 Y HA 0.541 5.091 4.550 0.000 0.000 0.331 91 Y C -0.864 174.997 175.900 -0.066 0.000 1.280 91 Y CA -1.622 56.436 58.100 -0.070 0.000 1.065 91 Y CB 1.056 39.455 38.460 -0.102 0.000 1.319 91 Y HN -0.091 nan 8.280 nan 0.000 0.453 92 N N 2.725 121.172 118.700 -0.422 0.000 2.564 92 N HA 0.385 5.125 4.740 0.000 0.000 0.248 92 N C -2.313 172.781 175.510 -0.693 0.000 0.986 92 N CA -2.884 49.861 53.050 -0.508 0.000 0.921 92 N CB 1.640 39.994 38.487 -0.222 0.000 1.136 92 N HN 0.415 nan 8.380 nan 0.000 0.509 93 P HA -0.134 nan 4.420 nan 0.000 0.231 93 P C 0.170 177.311 177.300 -0.264 0.000 1.154 93 P CA 0.988 63.720 63.100 -0.614 0.000 0.762 93 P CB 0.541 31.970 31.700 -0.453 0.000 0.790 94 E N -0.444 119.617 120.200 -0.233 0.000 2.127 94 E HA -0.020 4.330 4.350 0.000 0.000 0.191 94 E C 1.817 178.362 176.600 -0.093 0.000 0.964 94 E CA 1.649 57.971 56.400 -0.130 0.000 0.832 94 E CB -0.536 29.097 29.700 -0.111 0.000 0.790 94 E HN 0.398 nan 8.360 nan 0.000 0.465 95 T N -1.694 112.801 114.554 -0.099 0.000 3.054 95 T HA 0.135 4.485 4.350 0.000 0.000 0.255 95 T C 0.760 175.436 174.700 -0.040 0.000 1.035 95 T CA -0.330 61.738 62.100 -0.054 0.000 0.941 95 T CB 0.318 69.160 68.868 -0.042 0.000 1.026 95 T HN 0.083 nan 8.240 nan 0.000 0.533 96 Q N -0.247 119.523 119.800 -0.049 0.000 2.553 96 Q HA 0.716 5.056 4.340 0.000 0.000 0.293 96 Q C -1.434 174.546 176.000 -0.033 0.000 1.038 96 Q CA -1.426 54.367 55.803 -0.017 0.000 0.777 96 Q CB 1.675 30.447 28.738 0.057 0.000 1.487 96 Q HN -0.082 nan 8.270 nan 0.000 0.426 97 R N 0.297 120.655 120.500 -0.237 0.000 2.888 97 R HA 0.647 4.987 4.340 0.000 0.000 0.266 97 R C -0.884 175.092 176.300 -0.541 0.000 1.020 97 R CA -0.864 54.905 56.100 -0.552 0.000 0.963 97 R CB 1.618 31.059 30.300 -1.431 0.000 1.197 97 R HN 0.647 nan 8.270 nan 0.000 0.481 98 L N 0.846 121.685 121.223 -0.640 0.000 2.334 98 L HA 0.724 5.064 4.340 0.000 0.000 0.272 98 L C -0.381 176.202 176.870 -0.477 0.000 1.020 98 L CA -1.041 53.435 54.840 -0.607 0.000 0.812 98 L CB 1.913 43.498 42.059 -0.789 0.000 1.264 98 L HN 0.159 nan 8.230 nan 0.000 0.439 99 V N -0.580 119.075 119.914 -0.431 0.000 3.049 99 V HA 0.368 4.488 4.120 0.000 0.000 0.309 99 V C -1.361 174.521 176.094 -0.354 0.000 1.148 99 V CA -0.910 61.203 62.300 -0.311 0.000 0.990 99 V CB 2.124 33.839 31.823 -0.180 0.000 1.039 99 V HN 0.651 nan 8.190 nan 0.000 0.430 100 W N 1.453 122.618 121.300 -0.225 0.000 2.390 100 W HA 0.722 5.382 4.660 0.000 0.000 0.312 100 W C 0.155 176.582 176.519 -0.154 0.000 1.123 100 W CA -0.446 56.767 57.345 -0.221 0.000 1.202 100 W CB 1.641 30.879 29.460 -0.370 0.000 1.251 100 W HN 0.731 nan 8.180 nan 0.000 0.511 101 A N 3.625 126.596 122.820 0.252 0.000 2.304 101 A HA 0.450 4.770 4.320 0.000 0.000 0.314 101 A C -0.772 176.929 177.584 0.195 0.000 1.187 101 A CA -0.647 51.446 52.037 0.094 0.000 0.810 101 A CB 0.583 19.578 19.000 -0.009 0.000 1.183 101 A HN 0.755 nan 8.150 nan 0.000 0.487 102 C N 2.587 121.956 119.300 0.115 0.000 2.648 102 C HA 0.490 4.950 4.460 0.000 0.000 0.419 102 C C 1.371 176.333 174.990 -0.047 0.000 1.352 102 C CA 0.811 59.844 59.018 0.025 0.000 1.816 102 C CB -0.226 27.502 27.740 -0.020 0.000 2.598 102 C HN 1.064 nan 8.230 nan 0.000 0.598 103 A N 3.821 126.604 122.820 -0.062 0.000 2.340 103 A HA 0.639 4.959 4.320 0.000 0.000 0.213 103 A C 0.608 178.269 177.584 0.129 0.000 1.299 103 A CA 0.633 52.709 52.037 0.066 0.000 0.994 103 A CB -0.009 19.091 19.000 0.166 0.000 1.132 103 A HN 1.421 nan 8.150 nan 0.000 0.519 104 G N -0.851 107.925 108.800 -0.040 0.000 2.742 104 G HA2 0.547 4.507 3.960 0.000 0.000 0.296 104 G HA3 0.547 4.507 3.960 0.000 0.000 0.296 104 G C -1.678 173.062 174.900 -0.267 0.000 1.436 104 G CA -0.262 44.834 45.100 -0.008 0.000 0.928 104 G HN 0.563 nan 8.290 nan 0.000 0.520 105 V N 0.143 119.828 119.914 -0.381 0.000 3.049 105 V HA 0.782 4.902 4.120 0.000 0.000 0.309 105 V C -0.818 175.015 176.094 -0.434 0.000 1.148 105 V CA -0.832 61.200 62.300 -0.447 0.000 0.990 105 V CB 2.332 33.958 31.823 -0.328 0.000 1.039 105 V HN 0.944 nan 8.190 nan 0.000 0.430 106 E N 2.481 122.389 120.200 -0.487 0.000 2.448 106 E HA 0.468 4.818 4.350 0.000 0.000 0.288 106 E C -1.788 174.629 176.600 -0.305 0.000 0.936 106 E CA -0.522 55.682 56.400 -0.327 0.000 0.809 106 E CB 1.244 30.751 29.700 -0.323 0.000 1.408 106 E HN 0.638 nan 8.360 nan 0.000 0.393 107 I N 3.651 124.139 120.570 -0.135 0.000 2.308 107 I HA 0.307 4.477 4.170 0.000 0.000 0.293 107 I C 0.884 176.909 176.117 -0.153 0.000 1.078 107 I CA 0.052 61.247 61.300 -0.175 0.000 1.292 107 I CB 1.316 39.231 38.000 -0.140 0.000 1.423 107 I HN 0.481 nan 8.210 nan 0.000 0.493 108 G N 6.438 115.122 108.800 -0.194 0.000 2.395 108 G HA2 0.538 4.498 3.960 0.000 0.000 0.283 108 G HA3 0.538 4.498 3.960 0.000 0.000 0.283 108 G C -0.246 174.512 174.900 -0.236 0.000 1.178 108 G CA -0.635 44.368 45.100 -0.162 0.000 0.837 108 G HN 0.363 nan 8.290 nan 0.000 0.518 109 R N 1.218 121.592 120.500 -0.211 0.000 2.494 109 R HA 0.438 4.778 4.340 0.000 0.000 0.305 109 R C 0.921 177.110 176.300 -0.185 0.000 0.959 109 R CA -0.363 55.555 56.100 -0.304 0.000 0.864 109 R CB 1.738 31.884 30.300 -0.257 0.000 1.159 109 R HN 0.605 nan 8.270 nan 0.000 0.446 110 G N 1.839 110.519 108.800 -0.199 0.000 2.648 110 G HA2 -0.083 3.877 3.960 0.000 0.000 0.217 110 G HA3 -0.083 3.877 3.960 0.000 0.000 0.217 110 G C 0.042 174.897 174.900 -0.076 0.000 1.386 110 G CA 0.016 45.048 45.100 -0.112 0.000 0.920 110 G HN 0.386 nan 8.290 nan 0.000 0.540 111 Q N 1.333 121.093 119.800 -0.068 0.000 2.560 111 Q HA 0.034 4.374 4.340 0.000 0.000 0.303 111 Q C -2.001 173.988 176.000 -0.018 0.000 1.230 111 Q CA -0.265 55.519 55.803 -0.031 0.000 1.023 111 Q CB -0.390 28.339 28.738 -0.014 0.000 1.317 111 Q HN 0.317 nan 8.270 nan 0.000 0.482 112 P HA 0.195 nan 4.420 nan 0.000 0.279 112 P C -0.514 176.796 177.300 0.017 0.000 1.252 112 P CA -0.627 62.477 63.100 0.007 0.000 0.811 112 P CB 0.652 32.358 31.700 0.009 0.000 1.035 113 L N 1.061 122.295 121.223 0.019 0.000 2.483 113 L HA 0.476 4.816 4.340 0.000 0.000 0.276 113 L C 1.373 178.260 176.870 0.030 0.000 1.213 113 L CA 1.623 56.479 54.840 0.027 0.000 0.843 113 L CB -0.652 41.423 42.059 0.027 0.000 1.107 113 L HN 0.767 nan 8.230 nan 0.000 0.487 114 G N 0.802 109.622 108.800 0.035 0.000 2.489 114 G HA2 0.558 4.518 3.960 0.000 0.000 0.291 114 G HA3 0.558 4.518 3.960 0.000 0.000 0.291 114 G C -1.694 173.229 174.900 0.039 0.000 1.487 114 G CA -0.183 44.938 45.100 0.035 0.000 0.795 114 G HN 0.640 nan 8.290 nan 0.000 0.513 115 V N -1.424 118.515 119.914 0.041 0.000 2.628 115 V HA 1.031 5.151 4.120 0.000 0.000 0.306 115 V C 0.387 176.507 176.094 0.043 0.000 1.045 115 V CA -0.185 62.149 62.300 0.056 0.000 0.905 115 V CB 1.446 33.306 31.823 0.062 0.000 0.997 115 V HN 1.755 nan 8.190 nan 0.000 0.436 116 G N 3.023 111.861 108.800 0.063 0.000 2.620 116 G HA2 0.687 4.647 3.960 0.000 0.000 0.301 116 G HA3 0.687 4.647 3.960 0.000 0.000 0.301 116 G C -1.293 173.641 174.900 0.056 0.000 1.347 116 G CA -0.986 44.141 45.100 0.044 0.000 0.971 116 G HN 0.836 nan 8.290 nan 0.000 0.488 117 L N 0.564 121.803 121.223 0.027 0.000 2.352 117 L HA 0.730 5.070 4.340 0.000 0.000 0.269 117 L C 0.190 177.051 176.870 -0.015 0.000 1.034 117 L CA -0.753 54.063 54.840 -0.040 0.000 0.806 117 L CB 2.024 44.057 42.059 -0.043 0.000 1.244 117 L HN 0.467 nan 8.230 nan 0.000 0.447 118 S N -0.371 115.197 115.700 -0.219 0.000 2.541 118 S HA 0.859 5.329 4.470 0.000 0.000 0.280 118 S C -0.185 174.212 174.600 -0.339 0.000 1.112 118 S CA -0.574 57.464 58.200 -0.271 0.000 0.925 118 S CB 2.198 65.155 63.200 -0.405 0.000 1.067 118 S HN 0.906 nan 8.310 nan 0.000 0.479 119 G N 0.760 109.329 108.800 -0.385 0.000 2.815 119 G HA2 0.647 4.607 3.960 0.000 0.000 0.305 119 G HA3 0.647 4.607 3.960 0.000 0.000 0.305 119 G C -2.042 172.743 174.900 -0.192 0.000 1.277 119 G CA -0.381 44.565 45.100 -0.257 0.000 0.795 119 G HN 0.658 nan 8.290 nan 0.000 0.528 120 H N -0.440 118.514 119.070 -0.195 0.000 3.026 120 H HA 0.375 4.931 4.556 0.000 0.000 0.352 120 H C -2.265 172.955 175.328 -0.181 0.000 1.090 120 H CA -1.247 54.719 56.048 -0.137 0.000 1.268 120 H CB 2.860 32.629 29.762 0.012 0.000 1.816 120 H HN 0.114 nan 8.280 nan 0.000 0.518 121 P HA -0.012 nan 4.420 nan 0.000 0.220 121 P C -0.109 176.934 177.300 -0.429 0.000 1.148 121 P CA 1.320 64.171 63.100 -0.414 0.000 0.803 121 P CB 0.106 31.336 31.700 -0.783 0.000 0.782 122 F N -3.082 117.109 119.950 0.401 0.000 2.577 122 F HA 0.257 4.784 4.527 0.000 0.000 0.342 122 F C 0.238 175.911 175.800 -0.211 0.000 1.479 122 F CA -1.308 56.733 58.000 0.069 0.000 1.110 122 F CB -0.016 39.014 39.000 0.050 0.000 1.306 122 F HN -0.201 nan 8.300 nan 0.000 0.554 123 Y N 2.017 122.219 120.300 -0.163 0.000 2.597 123 Y HA 0.029 4.579 4.550 0.000 0.000 0.336 123 Y C 0.743 176.506 175.900 -0.229 0.000 1.216 123 Y CA -0.212 57.710 58.100 -0.295 0.000 1.463 123 Y CB 0.488 38.807 38.460 -0.234 0.000 1.303 123 Y HN 0.284 nan 8.280 nan 0.000 0.576 124 N N 5.700 124.044 118.700 -0.593 0.000 2.807 124 N HA 0.065 4.805 4.740 0.000 0.000 0.259 124 N C -1.327 173.982 175.510 -0.335 0.000 1.149 124 N CA -0.129 52.690 53.050 -0.386 0.000 1.042 124 N CB -0.192 38.081 38.487 -0.357 0.000 1.367 124 N HN 0.555 nan 8.380 nan 0.000 0.516 125 K N 3.881 124.186 120.400 -0.159 0.000 2.425 125 K HA 0.141 4.461 4.320 0.000 0.000 0.259 125 K C 0.392 176.916 176.600 -0.127 0.000 0.978 125 K CA -0.630 55.556 56.287 -0.168 0.000 0.883 125 K CB 0.938 33.186 32.500 -0.420 0.000 1.110 125 K HN 0.273 nan 8.250 nan 0.000 0.436 126 L N 3.888 125.082 121.223 -0.049 0.000 1.973 126 L HA -0.017 4.323 4.340 0.000 0.000 0.208 126 L C -0.375 176.504 176.870 0.014 0.000 1.073 126 L CA 2.110 56.942 54.840 -0.014 0.000 0.746 126 L CB -0.162 41.904 42.059 0.012 0.000 0.891 126 L HN 0.918 nan 8.230 nan 0.000 0.433 127 D N -3.588 116.866 120.400 0.091 0.000 2.755 127 D HA 0.174 4.814 4.640 0.000 0.000 0.277 127 D C -1.531 174.977 176.300 0.347 0.000 1.261 127 D CA -0.662 53.429 54.000 0.152 0.000 0.759 127 D CB -0.007 40.866 40.800 0.121 0.000 1.279 127 D HN -0.025 nan 8.370 nan 0.000 0.420 128 D N -0.827 119.790 120.400 0.362 0.000 2.358 128 D HA 0.322 4.962 4.640 0.000 0.000 0.258 128 D C 0.756 177.234 176.300 0.295 0.000 1.223 128 D CA 0.119 54.372 54.000 0.420 0.000 0.886 128 D CB 0.808 41.794 40.800 0.310 0.000 1.120 128 D HN 0.454 nan 8.370 nan 0.000 0.482 129 T N -0.063 114.681 114.554 0.317 0.000 3.085 129 T HA 0.084 4.434 4.350 0.000 0.000 0.264 129 T C 1.267 176.092 174.700 0.209 0.000 1.019 129 T CA -0.321 61.932 62.100 0.255 0.000 0.910 129 T CB 0.071 69.137 68.868 0.330 0.000 1.059 129 T HN 0.499 nan 8.240 nan 0.000 0.542 130 E N 2.178 122.492 120.200 0.191 0.000 2.152 130 E HA -0.076 4.274 4.350 0.000 0.000 0.192 130 E C 0.609 177.242 176.600 0.054 0.000 0.983 130 E CA 1.242 57.718 56.400 0.127 0.000 0.818 130 E CB 0.178 29.736 29.700 -0.236 0.000 0.758 130 E HN 0.651 nan 8.360 nan 0.000 0.467 131 S N -0.217 115.509 115.700 0.043 0.000 2.703 131 S HA 0.014 4.484 4.470 0.000 0.000 0.188 131 S C -0.379 174.231 174.600 0.018 0.000 0.797 131 S CA -0.127 58.079 58.200 0.010 0.000 0.888 131 S CB -0.880 62.296 63.200 -0.039 0.000 1.605 131 S HN 0.224 nan 8.310 nan 0.000 0.553 132 S N 1.469 117.212 115.700 0.072 0.000 2.715 132 S HA -0.039 4.431 4.470 0.000 0.000 0.318 132 S C 1.120 175.768 174.600 0.079 0.000 1.242 132 S CA 0.056 58.317 58.200 0.101 0.000 1.044 132 S CB -0.130 63.142 63.200 0.121 0.000 0.760 132 S HN 0.507 nan 8.310 nan 0.000 0.501 133 H N 2.881 121.980 119.070 0.050 0.000 2.437 133 H HA -0.147 4.409 4.556 0.000 0.000 0.296 133 H C 1.201 176.549 175.328 0.034 0.000 1.121 133 H CA 1.961 58.031 56.048 0.037 0.000 1.255 133 H CB -0.113 29.670 29.762 0.034 0.000 1.366 133 H HN 0.909 nan 8.280 nan 0.000 0.512 134 A N -1.151 121.765 122.820 0.160 0.000 5.463 134 A HA 0.570 4.890 4.320 0.000 0.000 0.118 134 A C -0.624 177.013 177.584 0.088 0.000 1.089 134 A CA 0.117 52.218 52.037 0.106 0.000 1.812 134 A CB -0.551 18.513 19.000 0.107 0.000 2.637 134 A HN 0.347 nan 8.150 nan 0.000 1.194 135 A N -0.423 122.439 122.820 0.071 0.000 2.310 135 A HA 0.666 4.986 4.320 0.000 0.000 0.260 135 A C 0.668 178.289 177.584 0.063 0.000 1.112 135 A CA 0.967 53.039 52.037 0.059 0.000 0.804 135 A CB -0.393 18.633 19.000 0.043 0.000 1.081 135 A HN 2.199 nan 8.150 nan 0.000 0.499 136 T N -2.263 112.323 114.554 0.054 0.000 2.831 136 T HA 0.632 4.982 4.350 0.000 0.000 0.287 136 T C 0.226 174.945 174.700 0.033 0.000 1.070 136 T CA 0.010 62.141 62.100 0.051 0.000 1.010 136 T CB 0.424 69.331 68.868 0.065 0.000 1.264 136 T HN 1.501 nan 8.240 nan 0.000 0.532 137 S N 1.103 116.819 115.700 0.027 0.000 2.560 137 S HA 0.110 4.580 4.470 0.000 0.000 0.276 137 S C 0.283 174.888 174.600 0.008 0.000 1.350 137 S CA -0.577 57.631 58.200 0.014 0.000 1.024 137 S CB -0.505 62.700 63.200 0.009 0.000 0.864 137 S HN 0.975 nan 8.310 nan 0.000 0.536 138 N N 0.372 119.073 118.700 0.002 0.000 2.492 138 N HA 0.037 4.777 4.740 0.000 0.000 0.262 138 N C -0.080 175.424 175.510 -0.010 0.000 1.202 138 N CA -0.342 52.706 53.050 -0.003 0.000 0.926 138 N CB 0.389 38.873 38.487 -0.005 0.000 1.078 138 N HN 0.481 nan 8.380 nan 0.000 0.454 139 V N 3.335 123.241 119.914 -0.013 0.000 2.670 139 V HA -0.029 4.091 4.120 0.000 0.000 0.344 139 V C 1.690 177.770 176.094 -0.024 0.000 1.648 139 V CA 0.453 62.740 62.300 -0.021 0.000 1.673 139 V CB -1.967 29.841 31.823 -0.024 0.000 1.382 139 V HN 0.798 nan 8.190 nan 0.000 0.503 140 S N 1.050 116.736 115.700 -0.023 0.000 2.459 140 S HA -0.148 4.322 4.470 0.000 0.000 0.204 140 S C 1.409 175.989 174.600 -0.032 0.000 1.102 140 S CA 1.560 59.745 58.200 -0.025 0.000 1.258 140 S CB 0.091 63.278 63.200 -0.022 0.000 1.033 140 S HN 0.682 nan 8.310 nan 0.000 0.398 141 E N -0.083 120.094 120.200 -0.038 0.000 3.968 141 E HA 0.152 4.502 4.350 0.000 0.000 0.219 141 E C -1.061 175.503 176.600 -0.060 0.000 1.310 141 E CA -0.005 56.366 56.400 -0.048 0.000 1.622 141 E CB 0.516 30.187 29.700 -0.048 0.000 1.730 141 E HN 0.404 nan 8.360 nan 0.000 0.629 142 D N 0.891 121.254 120.400 -0.061 0.000 2.464 142 D HA 0.247 4.887 4.640 0.000 0.000 0.243 142 D C -0.346 175.923 176.300 -0.051 0.000 1.104 142 D CA -0.181 53.774 54.000 -0.074 0.000 0.883 142 D CB 1.763 42.503 40.800 -0.100 0.000 1.050 142 D HN 0.024 nan 8.370 nan 0.000 0.524 143 V N 3.746 123.632 119.914 -0.047 0.000 3.276 143 V HA 0.235 4.355 4.120 0.000 0.000 0.319 143 V C 1.051 177.129 176.094 -0.027 0.000 1.427 143 V CA -0.379 61.902 62.300 -0.031 0.000 1.102 143 V CB -0.543 31.262 31.823 -0.031 0.000 1.020 143 V HN 0.324 nan 8.190 nan 0.000 0.456 144 R N 1.957 122.445 120.500 -0.021 0.000 2.538 144 R HA 0.193 4.533 4.340 0.000 0.000 0.282 144 R C -0.613 175.728 176.300 0.067 0.000 1.009 144 R CA 0.428 56.537 56.100 0.015 0.000 1.063 144 R CB 0.287 30.615 30.300 0.046 0.000 0.945 144 R HN 0.345 nan 8.270 nan 0.000 0.414 145 D N 0.807 121.223 120.400 0.027 0.000 2.374 145 D HA 0.099 4.739 4.640 0.000 0.000 0.239 145 D C -0.550 175.744 176.300 -0.010 0.000 0.991 145 D CA -0.636 53.364 54.000 0.001 0.000 0.960 145 D CB 1.155 41.912 40.800 -0.072 0.000 1.284 145 D HN 0.335 nan 8.370 nan 0.000 0.512 146 N N 1.174 119.845 118.700 -0.049 0.000 2.406 146 N HA 0.250 4.990 4.740 0.000 0.000 0.251 146 N C -0.876 174.555 175.510 -0.132 0.000 1.069 146 N CA -0.158 52.838 53.050 -0.090 0.000 0.947 146 N CB 0.563 38.986 38.487 -0.108 0.000 1.111 146 N HN 0.263 nan 8.380 nan 0.000 0.497 147 V N 0.870 120.677 119.914 -0.178 0.000 3.102 147 V HA 0.868 4.988 4.120 0.000 0.000 0.312 147 V C -0.176 175.766 176.094 -0.253 0.000 1.135 147 V CA -0.808 61.332 62.300 -0.266 0.000 1.022 147 V CB 1.481 33.001 31.823 -0.505 0.000 1.056 147 V HN 0.682 nan 8.190 nan 0.000 0.436 148 S N 1.209 116.785 115.700 -0.208 0.000 2.697 148 S HA 0.968 5.438 4.470 0.000 0.000 0.289 148 S C -0.899 173.608 174.600 -0.156 0.000 1.149 148 S CA -0.301 57.786 58.200 -0.188 0.000 0.850 148 S CB 1.732 64.847 63.200 -0.142 0.000 1.151 148 S HN 2.402 nan 8.310 nan 0.000 0.491 149 V N 1.281 121.082 119.914 -0.189 0.000 3.036 149 V HA 0.368 4.488 4.120 0.000 0.000 0.280 149 V C -2.197 173.720 176.094 -0.294 0.000 1.497 149 V CA -0.611 61.590 62.300 -0.165 0.000 0.982 149 V CB 2.044 33.822 31.823 -0.077 0.000 1.171 149 V HN 1.241 nan 8.190 nan 0.000 0.444 150 D N 5.322 125.606 120.400 -0.193 0.000 2.277 150 D HA 0.274 4.914 4.640 0.000 0.000 0.249 150 D C -0.089 176.126 176.300 -0.142 0.000 1.134 150 D CA 0.015 53.912 54.000 -0.173 0.000 0.863 150 D CB 0.763 41.545 40.800 -0.031 0.000 1.143 150 D HN 0.551 nan 8.370 nan 0.000 0.458 151 Y N 0.460 120.699 120.300 -0.103 0.000 2.158 151 Y HA 0.014 4.564 4.550 0.000 0.000 0.365 151 Y C 1.703 177.610 175.900 0.012 0.000 1.301 151 Y CA -0.761 57.254 58.100 -0.142 0.000 1.735 151 Y CB 0.628 38.773 38.460 -0.525 0.000 1.509 151 Y HN 0.305 nan 8.280 nan 0.000 0.657 152 K N 1.352 121.898 120.400 0.243 0.000 2.276 152 K HA -0.008 4.312 4.320 0.000 0.000 0.259 152 K C -0.668 176.090 176.600 0.263 0.000 1.001 152 K CA -0.410 55.980 56.287 0.172 0.000 0.927 152 K CB 0.557 33.123 32.500 0.111 0.000 0.969 152 K HN 0.672 nan 8.250 nan 0.000 0.490 153 Q N 2.332 122.251 119.800 0.198 0.000 2.314 153 Q HA 0.227 4.567 4.340 0.000 0.000 0.259 153 Q C -1.436 174.658 176.000 0.157 0.000 0.951 153 Q CA -0.454 55.465 55.803 0.193 0.000 0.909 153 Q CB 1.466 30.294 28.738 0.149 0.000 1.236 153 Q HN 0.694 nan 8.270 nan 0.000 0.444 154 T N 3.419 118.067 114.554 0.156 0.000 2.906 154 T HA 0.502 4.852 4.350 0.000 0.000 0.295 154 T C -1.132 173.636 174.700 0.113 0.000 1.061 154 T CA -0.755 61.425 62.100 0.135 0.000 1.000 154 T CB 1.814 70.775 68.868 0.156 0.000 1.103 154 T HN 0.577 nan 8.240 nan 0.000 0.486 155 Q N 1.428 121.290 119.800 0.102 0.000 2.280 155 Q HA 0.599 4.939 4.340 0.000 0.000 0.259 155 Q C -1.707 174.351 176.000 0.096 0.000 0.964 155 Q CA -0.826 55.038 55.803 0.102 0.000 0.844 155 Q CB 2.467 31.187 28.738 -0.029 0.000 1.334 155 Q HN 0.656 nan 8.270 nan 0.000 0.423 156 L N -0.702 120.639 121.223 0.195 0.000 2.518 156 L HA 0.968 5.308 4.340 0.000 0.000 0.257 156 L C -1.658 175.387 176.870 0.292 0.000 0.980 156 L CA -0.694 54.256 54.840 0.183 0.000 0.837 156 L CB 2.350 44.530 42.059 0.201 0.000 1.410 156 L HN 0.710 nan 8.230 nan 0.000 0.410 157 C N 4.124 123.566 119.300 0.238 0.000 2.607 157 C HA 0.834 5.294 4.460 0.000 0.000 0.350 157 C C -1.348 173.782 174.990 0.234 0.000 1.101 157 C CA -0.336 58.871 59.018 0.314 0.000 1.282 157 C CB 0.573 28.583 27.740 0.451 0.000 1.825 157 C HN 0.774 nan 8.230 nan 0.000 0.460 158 I N 6.466 127.169 120.570 0.223 0.000 2.465 158 I HA 0.511 4.681 4.170 0.000 0.000 0.291 158 I C -0.386 175.836 176.117 0.175 0.000 1.014 158 I CA -0.605 60.793 61.300 0.163 0.000 1.093 158 I CB 1.494 39.530 38.000 0.059 0.000 1.267 158 I HN 0.609 nan 8.210 nan 0.000 0.431 159 L N 4.757 126.090 121.223 0.182 0.000 2.346 159 L HA 0.941 5.281 4.340 0.000 0.000 0.274 159 L C 0.292 176.892 176.870 -0.449 0.000 1.007 159 L CA -0.317 54.569 54.840 0.077 0.000 0.818 159 L CB 2.302 44.553 42.059 0.320 0.000 1.284 159 L HN 0.844 nan 8.230 nan 0.000 0.424 160 G N -0.137 108.334 108.800 -0.548 0.000 2.441 160 G HA2 0.306 4.266 3.960 0.000 0.000 0.294 160 G HA3 0.306 4.266 3.960 0.000 0.000 0.294 160 G C -0.651 174.120 174.900 -0.215 0.000 1.393 160 G CA -0.193 44.344 45.100 -0.938 0.000 0.796 160 G HN 0.722 nan 8.290 nan 0.000 0.494 161 C N -0.898 118.393 119.300 -0.016 0.000 2.563 161 C HA 0.818 5.278 4.460 0.000 0.000 0.307 161 C C 0.733 175.817 174.990 0.158 0.000 1.371 161 C CA -0.227 58.959 59.018 0.280 0.000 1.772 161 C CB -1.418 26.562 27.740 0.400 0.000 2.283 161 C HN 1.778 nan 8.230 nan 0.000 0.570 162 A N 1.403 124.083 122.820 -0.234 0.000 2.513 162 A HA 0.787 5.107 4.320 0.000 0.000 0.296 162 A C -2.914 174.042 177.584 -1.047 0.000 1.052 162 A CA -0.845 50.794 52.037 -0.662 0.000 0.714 162 A CB 0.900 19.767 19.000 -0.221 0.000 1.279 162 A HN 0.189 nan 8.150 nan 0.000 0.397 163 P HA 0.194 nan 4.420 nan 0.000 0.268 163 P C 0.251 177.252 177.300 -0.497 0.000 1.189 163 P CA 0.639 63.112 63.100 -1.046 0.000 0.771 163 P CB 0.552 31.773 31.700 -0.798 0.000 0.822 164 A N 2.580 125.209 122.820 -0.319 0.000 2.271 164 A HA 0.539 4.859 4.320 0.000 0.000 0.288 164 A C 0.231 177.678 177.584 -0.229 0.000 1.094 164 A CA -0.609 51.282 52.037 -0.244 0.000 0.828 164 A CB -0.080 18.796 19.000 -0.207 0.000 1.091 164 A HN 0.455 nan 8.150 nan 0.000 0.493 165 I N 0.375 120.817 120.570 -0.213 0.000 2.437 165 I HA 0.568 4.738 4.170 0.000 0.000 0.298 165 I C 0.823 176.806 176.117 -0.224 0.000 0.984 165 I CA 0.207 61.395 61.300 -0.187 0.000 1.214 165 I CB 1.991 39.908 38.000 -0.138 0.000 1.365 165 I HN 0.682 nan 8.210 nan 0.000 0.469 166 G N 3.588 112.274 108.800 -0.190 0.000 2.569 166 G HA2 0.752 4.712 3.960 0.000 0.000 0.300 166 G HA3 0.752 4.712 3.960 0.000 0.000 0.300 166 G C -1.455 173.399 174.900 -0.077 0.000 1.269 166 G CA -0.483 44.512 45.100 -0.175 0.000 0.959 166 G HN 0.659 nan 8.290 nan 0.000 0.478 167 E N -0.496 119.691 120.200 -0.023 0.000 2.336 167 E HA 0.722 5.072 4.350 0.000 0.000 0.267 167 E C -1.232 175.406 176.600 0.062 0.000 0.906 167 E CA -1.004 55.378 56.400 -0.030 0.000 0.781 167 E CB 2.495 32.132 29.700 -0.106 0.000 1.261 167 E HN 0.766 nan 8.360 nan 0.000 0.436 168 H N -0.379 118.534 119.070 -0.261 0.000 2.969 168 H HA 0.232 4.788 4.556 0.000 0.000 0.304 168 H C -1.992 173.092 175.328 -0.408 0.000 1.400 168 H CA -1.170 54.736 56.048 -0.237 0.000 1.182 168 H CB 0.024 29.748 29.762 -0.064 0.000 1.865 168 H HN 0.652 nan 8.280 nan 0.000 0.512 169 W N 1.091 122.345 121.300 -0.078 0.000 2.365 169 W HA 0.715 5.375 4.660 0.000 0.000 0.316 169 W C -0.002 176.415 176.519 -0.169 0.000 1.164 169 W CA 0.032 57.279 57.345 -0.164 0.000 1.204 169 W CB 1.780 31.190 29.460 -0.084 0.000 1.213 169 W HN 0.862 nan 8.180 nan 0.000 0.539 170 A N 2.451 125.284 122.820 0.022 0.000 2.569 170 A HA 0.580 4.900 4.320 0.000 0.000 0.290 170 A C -1.092 176.525 177.584 0.055 0.000 1.136 170 A CA -1.192 50.858 52.037 0.022 0.000 0.710 170 A CB 1.376 20.341 19.000 -0.059 0.000 1.303 170 A HN 0.553 nan 8.150 nan 0.000 0.413 171 K N 0.840 121.266 120.400 0.043 0.000 2.436 171 K HA 0.305 4.625 4.320 0.000 0.000 0.282 171 K C 0.627 177.244 176.600 0.028 0.000 1.044 171 K CA 0.506 56.814 56.287 0.035 0.000 1.028 171 K CB 0.087 32.603 32.500 0.027 0.000 0.919 171 K HN 0.875 nan 8.250 nan 0.000 0.474 172 G N 2.763 111.583 108.800 0.034 0.000 2.594 172 G HA2 0.022 3.982 3.960 0.000 0.000 0.243 172 G HA3 0.022 3.982 3.960 0.000 0.000 0.243 172 G C -0.532 174.378 174.900 0.016 0.000 1.229 172 G CA -0.564 44.552 45.100 0.027 0.000 0.843 172 G HN 0.650 nan 8.290 nan 0.000 0.578 173 T N 1.159 115.719 114.554 0.011 0.000 2.817 173 T HA 0.372 4.722 4.350 0.000 0.000 0.295 173 T C 0.873 175.577 174.700 0.007 0.000 0.958 173 T CA 0.360 62.464 62.100 0.007 0.000 1.157 173 T CB 0.782 69.652 68.868 0.003 0.000 0.898 173 T HN 0.815 nan 8.240 nan 0.000 0.536 174 A N 4.475 127.299 122.820 0.006 0.000 2.505 174 A HA 0.388 4.708 4.320 0.000 0.000 0.271 174 A C 1.003 178.589 177.584 0.003 0.000 1.112 174 A CA -0.648 51.391 52.037 0.004 0.000 0.781 174 A CB -0.284 18.718 19.000 0.004 0.000 1.059 174 A HN 0.905 nan 8.150 nan 0.000 0.508 175 S N 2.738 118.440 115.700 0.003 0.000 2.531 175 S HA 0.154 4.624 4.470 0.000 0.000 0.279 175 S C 1.027 175.627 174.600 0.001 0.000 1.305 175 S CA -0.023 58.178 58.200 0.002 0.000 1.058 175 S CB 0.880 64.081 63.200 0.003 0.000 0.899 175 S HN 0.782 nan 8.310 nan 0.000 0.493 176 K N 2.507 122.907 120.400 0.001 0.000 2.209 176 K HA -0.147 4.173 4.320 0.000 0.000 0.204 176 K C 2.030 178.630 176.600 -0.000 0.000 1.048 176 K CA 1.588 57.875 56.287 0.000 0.000 0.940 176 K CB -0.686 31.814 32.500 -0.000 0.000 0.729 176 K HN 0.720 nan 8.250 nan 0.000 0.451 177 S N 0.644 116.344 115.700 0.000 0.000 2.345 177 S HA -0.102 4.368 4.470 0.000 0.000 0.220 177 S C 1.309 175.909 174.600 -0.000 0.000 1.031 177 S CA 0.350 58.550 58.200 -0.000 0.000 0.996 177 S CB -0.160 63.041 63.200 0.000 0.000 0.882 177 S HN 0.196 nan 8.310 nan 0.000 0.445 178 R N 2.661 123.161 120.500 -0.000 0.000 2.407 178 R HA 0.439 4.779 4.340 0.000 0.000 0.298 178 R C -2.980 173.320 176.300 -0.000 0.000 1.166 178 R CA -2.277 53.823 56.100 -0.000 0.000 1.006 178 R CB 1.154 31.454 30.300 -0.000 0.000 1.145 178 R HN 0.369 nan 8.270 nan 0.000 0.538 179 P HA 0.004 nan 4.420 nan 0.000 0.271 179 P C -0.468 176.832 177.300 -0.001 0.000 1.233 179 P CA -0.554 62.545 63.100 -0.001 0.000 0.789 179 P CB 1.001 32.700 31.700 -0.001 0.000 0.951 180 L N 1.952 123.175 121.223 -0.001 0.000 2.287 180 L HA 0.167 4.507 4.340 0.000 0.000 0.280 180 L C 0.419 177.287 176.870 -0.003 0.000 1.055 180 L CA -0.120 54.719 54.840 -0.002 0.000 0.863 180 L CB -0.234 41.825 42.059 -0.001 0.000 1.245 180 L HN 0.395 nan 8.230 nan 0.000 0.432 181 S N 2.374 118.072 115.700 -0.004 0.000 2.558 181 S HA 0.065 4.535 4.470 0.000 0.000 0.293 181 S C 0.220 174.817 174.600 -0.005 0.000 1.292 181 S CA -0.504 57.693 58.200 -0.005 0.000 1.063 181 S CB 0.329 63.526 63.200 -0.005 0.000 0.831 181 S HN 0.596 nan 8.310 nan 0.000 0.499 182 Q N 1.935 121.731 119.800 -0.006 0.000 2.283 182 Q HA 0.392 4.732 4.340 0.000 0.000 0.301 182 Q C 1.365 177.359 176.000 -0.008 0.000 1.063 182 Q CA 1.756 57.555 55.803 -0.007 0.000 0.952 182 Q CB -0.123 28.611 28.738 -0.007 0.000 1.166 182 Q HN 1.318 nan 8.270 nan 0.000 0.381 183 G N 3.294 112.088 108.800 -0.009 0.000 2.349 183 G HA2 -0.246 3.714 3.960 0.000 0.000 0.213 183 G HA3 -0.246 3.714 3.960 0.000 0.000 0.213 183 G C -0.136 174.756 174.900 -0.012 0.000 1.044 183 G CA -0.067 45.026 45.100 -0.012 0.000 0.633 183 G HN 0.655 nan 8.290 nan 0.000 0.506 184 D N 0.443 120.837 120.400 -0.011 0.000 2.368 184 D HA 0.438 5.078 4.640 0.000 0.000 0.240 184 D C 0.933 177.225 176.300 -0.012 0.000 1.169 184 D CA 0.498 54.492 54.000 -0.011 0.000 0.906 184 D CB 0.990 41.785 40.800 -0.009 0.000 1.187 184 D HN 0.571 nan 8.370 nan 0.000 0.435 185 C N 3.706 122.997 119.300 -0.015 0.000 2.585 185 C HA 0.427 4.888 4.460 0.000 0.000 0.406 185 C C -1.931 173.050 174.990 -0.015 0.000 1.312 185 C CA -1.288 57.719 59.018 -0.018 0.000 1.924 185 C CB -0.484 27.241 27.740 -0.025 0.000 2.578 185 C HN 0.465 nan 8.230 nan 0.000 0.580 186 P HA 0.434 nan 4.420 nan 0.000 0.278 186 P C -2.829 174.466 177.300 -0.008 0.000 1.266 186 P CA -1.133 61.964 63.100 -0.006 0.000 0.807 186 P CB 0.406 32.107 31.700 0.001 0.000 1.094 187 P HA 0.261 nan 4.420 nan 0.000 0.288 187 P C -0.762 176.556 177.300 0.029 0.000 1.267 187 P CA -0.294 62.809 63.100 0.006 0.000 0.815 187 P CB 0.835 32.543 31.700 0.013 0.000 0.989 188 L N 2.159 123.401 121.223 0.032 0.000 2.312 188 L HA 0.460 4.800 4.340 0.000 0.000 0.281 188 L C 0.732 177.767 176.870 0.275 0.000 1.070 188 L CA -0.075 54.841 54.840 0.127 0.000 0.805 188 L CB 0.540 42.582 42.059 -0.027 0.000 1.174 188 L HN 0.582 nan 8.230 nan 0.000 0.434 189 E N 2.573 122.958 120.200 0.310 0.000 2.224 189 E HA 0.315 4.665 4.350 0.000 0.000 0.265 189 E C -1.377 175.209 176.600 -0.023 0.000 0.878 189 E CA -0.910 55.602 56.400 0.188 0.000 0.759 189 E CB 2.270 31.997 29.700 0.045 0.000 1.164 189 E HN 0.399 nan 8.360 nan 0.000 0.414 190 L N 4.340 125.376 121.223 -0.312 0.000 2.410 190 L HA 0.280 4.620 4.340 0.000 0.000 0.273 190 L C -0.764 175.810 176.870 -0.494 0.000 1.144 190 L CA 0.648 54.957 54.840 -0.885 0.000 0.863 190 L CB 0.344 41.830 42.059 -0.956 0.000 1.140 190 L HN 0.469 nan 8.230 nan 0.000 0.463 191 K N 4.144 124.212 120.400 -0.555 0.000 2.345 191 K HA 0.416 4.736 4.320 0.000 0.000 0.255 191 K C -0.931 175.529 176.600 -0.234 0.000 0.934 191 K CA -0.862 55.208 56.287 -0.361 0.000 0.801 191 K CB 1.286 33.549 32.500 -0.394 0.000 1.137 191 K HN 0.581 nan 8.250 nan 0.000 0.424 192 N N 1.215 119.833 118.700 -0.137 0.000 2.509 192 N HA 0.305 5.045 4.740 0.000 0.000 0.287 192 N C -0.485 175.002 175.510 -0.038 0.000 1.121 192 N CA 0.101 53.101 53.050 -0.083 0.000 0.977 192 N CB 1.927 40.365 38.487 -0.080 0.000 1.167 192 N HN 0.567 nan 8.380 nan 0.000 0.476 193 T N -0.782 113.753 114.554 -0.032 0.000 2.769 193 T HA 0.329 4.679 4.350 0.000 0.000 0.306 193 T C -1.226 173.432 174.700 -0.070 0.000 1.400 193 T CA -0.557 61.526 62.100 -0.028 0.000 1.007 193 T CB 0.683 69.558 68.868 0.011 0.000 1.392 193 T HN 0.013 nan 8.240 nan 0.000 0.500 194 V N 3.231 123.106 119.914 -0.066 0.000 2.649 194 V HA 0.417 4.538 4.120 0.000 0.000 0.292 194 V C 0.316 176.339 176.094 -0.118 0.000 1.055 194 V CA -0.572 61.676 62.300 -0.087 0.000 1.023 194 V CB 1.177 32.978 31.823 -0.038 0.000 0.992 194 V HN 0.706 nan 8.190 nan 0.000 0.480 195 L N 5.296 126.424 121.223 -0.159 0.000 2.312 195 L HA 0.333 4.673 4.340 0.000 0.000 0.287 195 L C 0.470 177.302 176.870 -0.063 0.000 1.091 195 L CA -0.020 54.678 54.840 -0.236 0.000 0.846 195 L CB 0.121 41.922 42.059 -0.431 0.000 1.219 195 L HN 0.727 nan 8.230 nan 0.000 0.439 196 E N 1.379 121.543 120.200 -0.060 0.000 2.280 196 E HA 0.184 4.534 4.350 0.000 0.000 0.264 196 E C -0.813 175.815 176.600 0.046 0.000 1.064 196 E CA -0.916 55.483 56.400 -0.002 0.000 0.900 196 E CB 1.099 30.707 29.700 -0.153 0.000 1.123 196 E HN 0.365 nan 8.360 nan 0.000 0.418 197 D N -0.646 119.815 120.400 0.102 0.000 2.424 197 D HA 0.242 4.882 4.640 0.000 0.000 0.244 197 D C 0.814 177.146 176.300 0.055 0.000 1.134 197 D CA 1.641 55.695 54.000 0.090 0.000 0.881 197 D CB 0.432 41.295 40.800 0.105 0.000 1.191 197 D HN 0.572 nan 8.370 nan 0.000 0.445 198 G N 3.346 112.201 108.800 0.091 0.000 2.259 198 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 198 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 198 G C 0.078 175.051 174.900 0.121 0.000 1.001 198 G CA -0.019 45.133 45.100 0.085 0.000 0.627 198 G HN 0.627 nan 8.290 nan 0.000 0.501 199 D N 1.835 122.316 120.400 0.135 0.000 2.400 199 D HA 0.402 5.042 4.640 0.000 0.000 0.238 199 D C 1.136 177.618 176.300 0.303 0.000 1.157 199 D CA 0.342 54.437 54.000 0.158 0.000 0.889 199 D CB 0.466 41.301 40.800 0.060 0.000 1.199 199 D HN 0.111 nan 8.370 nan 0.000 0.436 200 M N 1.248 120.998 119.600 0.251 0.000 2.314 200 M HA 0.206 4.686 4.480 0.000 0.000 0.342 200 M C 0.292 176.780 176.300 0.313 0.000 1.171 200 M CA -0.854 54.594 55.300 0.246 0.000 1.098 200 M CB 1.195 33.903 32.600 0.180 0.000 1.559 200 M HN 0.156 nan 8.290 nan 0.000 0.459 201 V N -0.750 119.264 119.914 0.167 0.000 3.134 201 V HA 0.458 4.578 4.120 0.000 0.000 0.313 201 V C -0.171 176.025 176.094 0.169 0.000 1.069 201 V CA -1.044 61.331 62.300 0.124 0.000 1.048 201 V CB 1.060 32.796 31.823 -0.146 0.000 1.119 201 V HN 0.854 nan 8.190 nan 0.000 0.461 202 D N 1.103 121.635 120.400 0.220 0.000 2.417 202 D HA 0.211 4.851 4.640 0.000 0.000 0.250 202 D C 1.130 177.470 176.300 0.067 0.000 1.166 202 D CA 0.746 54.846 54.000 0.167 0.000 0.881 202 D CB 1.237 42.113 40.800 0.127 0.000 1.164 202 D HN 0.953 nan 8.370 nan 0.000 0.467 203 T N 0.647 115.181 114.554 -0.034 0.000 3.054 203 T HA 0.385 4.735 4.350 0.000 0.000 0.255 203 T C 1.365 176.038 174.700 -0.045 0.000 1.035 203 T CA 0.087 62.041 62.100 -0.244 0.000 0.941 203 T CB 0.339 68.576 68.868 -1.052 0.000 1.026 203 T HN 0.692 nan 8.240 nan 0.000 0.533 204 G N 0.604 109.415 108.800 0.017 0.000 2.192 204 G HA2 -0.200 3.760 3.960 0.000 0.000 0.193 204 G HA3 -0.200 3.760 3.960 0.000 0.000 0.193 204 G C 0.139 174.962 174.900 -0.128 0.000 0.999 204 G CA -0.213 44.854 45.100 -0.056 0.000 0.659 204 G HN 0.527 nan 8.290 nan 0.000 0.503 205 Y N 1.270 121.638 120.300 0.113 0.000 2.607 205 Y HA 0.461 5.011 4.550 0.000 0.000 0.266 205 Y C 1.574 177.657 175.900 0.306 0.000 1.178 205 Y CA 0.681 58.903 58.100 0.203 0.000 1.226 205 Y CB 0.872 39.432 38.460 0.167 0.000 1.144 205 Y HN 1.037 nan 8.280 nan 0.000 0.528 206 G N 0.913 109.897 108.800 0.306 0.000 2.781 206 G HA2 0.033 3.993 3.960 0.000 0.000 0.683 206 G HA3 0.033 3.993 3.960 0.000 0.000 0.683 206 G C -0.597 174.486 174.900 0.306 0.000 1.390 206 G CA -0.615 44.634 45.100 0.250 0.000 0.850 206 G HN 0.560 nan 8.290 nan 0.000 0.557 207 A N 1.044 124.015 122.820 0.252 0.000 2.582 207 A HA 0.804 5.124 4.320 0.000 0.000 0.336 207 A C 0.480 178.201 177.584 0.228 0.000 1.445 207 A CA 0.831 53.024 52.037 0.259 0.000 0.997 207 A CB -0.501 18.660 19.000 0.268 0.000 1.148 207 A HN 1.950 nan 8.150 nan 0.000 0.514 208 M N -0.245 119.350 119.600 -0.007 0.000 2.755 208 M HA 0.564 5.044 4.480 0.000 0.000 0.273 208 M C -1.409 174.717 176.300 -0.290 0.000 1.278 208 M CA -0.865 54.374 55.300 -0.102 0.000 0.819 208 M CB 1.441 33.894 32.600 -0.246 0.000 1.694 208 M HN 0.180 nan 8.290 nan 0.000 0.460 209 D N 0.789 121.134 120.400 -0.090 0.000 2.522 209 D HA 0.336 4.976 4.640 0.000 0.000 0.218 209 D C -0.020 176.226 176.300 -0.091 0.000 1.149 209 D CA -0.268 53.721 54.000 -0.019 0.000 0.981 209 D CB -0.262 40.617 40.800 0.132 0.000 1.041 209 D HN 0.549 nan 8.370 nan 0.000 0.518 210 F N 0.989 120.996 119.950 0.094 0.000 2.307 210 F HA -0.188 4.339 4.527 0.000 0.000 0.301 210 F C 2.655 178.483 175.800 0.048 0.000 1.076 210 F CA 0.973 59.010 58.000 0.062 0.000 1.383 210 F CB -0.321 38.703 39.000 0.040 0.000 1.055 210 F HN 0.340 nan 8.300 nan 0.000 0.526 211 S N -1.201 114.616 115.700 0.194 0.000 2.461 211 S HA -0.114 4.356 4.470 0.000 0.000 0.228 211 S C 1.785 176.436 174.600 0.086 0.000 1.005 211 S CA 1.173 59.450 58.200 0.128 0.000 0.942 211 S CB -0.864 62.399 63.200 0.106 0.000 0.776 211 S HN 0.456 nan 8.310 nan 0.000 0.514 212 T N -2.214 112.384 114.554 0.072 0.000 2.985 212 T HA 0.396 4.746 4.350 0.000 0.000 0.254 212 T C 1.179 175.901 174.700 0.037 0.000 1.021 212 T CA -0.208 61.922 62.100 0.050 0.000 0.957 212 T CB -0.049 68.847 68.868 0.048 0.000 1.047 212 T HN 0.211 nan 8.240 nan 0.000 0.511 213 L N 0.589 121.831 121.223 0.033 0.000 2.556 213 L HA 0.470 4.810 4.340 0.000 0.000 0.226 213 L C 0.517 177.406 176.870 0.032 0.000 1.089 213 L CA 0.738 55.587 54.840 0.016 0.000 0.864 213 L CB 0.076 42.122 42.059 -0.022 0.000 1.067 213 L HN 0.324 nan 8.230 nan 0.000 0.477 214 Q N -0.626 119.212 119.800 0.064 0.000 2.339 214 Q HA 0.185 4.525 4.340 0.000 0.000 0.268 214 Q C -0.305 175.722 176.000 0.045 0.000 1.027 214 Q CA -0.292 55.549 55.803 0.063 0.000 0.759 214 Q CB 1.553 30.361 28.738 0.117 0.000 1.244 214 Q HN -0.007 nan 8.270 nan 0.000 0.464 215 D N 0.445 120.856 120.400 0.018 0.000 2.277 215 D HA -0.092 4.548 4.640 0.000 0.000 0.208 215 D C 1.265 177.563 176.300 -0.003 0.000 0.962 215 D CA 1.081 55.087 54.000 0.009 0.000 0.865 215 D CB 0.409 41.208 40.800 -0.002 0.000 0.939 215 D HN 0.450 nan 8.370 nan 0.000 0.510 216 T N 0.503 115.046 114.554 -0.019 0.000 2.746 216 T HA -0.144 4.206 4.350 0.000 0.000 0.267 216 T C 0.866 175.546 174.700 -0.034 0.000 1.039 216 T CA 0.942 63.014 62.100 -0.046 0.000 1.142 216 T CB -0.144 68.672 68.868 -0.086 0.000 0.866 216 T HN 0.170 nan 8.240 nan 0.000 0.444 217 K N -0.942 119.453 120.400 -0.008 0.000 3.129 217 K HA -0.153 4.167 4.320 0.000 0.000 0.273 217 K C -0.284 176.314 176.600 -0.003 0.000 1.123 217 K CA 0.405 56.713 56.287 0.035 0.000 0.800 217 K CB -2.226 30.315 32.500 0.068 0.000 1.238 217 K HN 0.458 nan 8.250 nan 0.000 0.492 218 C N -0.498 118.704 119.300 -0.164 0.000 3.725 218 C HA 0.119 4.579 4.460 0.000 0.000 0.294 218 C C 1.209 175.901 174.990 -0.497 0.000 2.443 218 C CA -0.716 58.034 59.018 -0.446 0.000 1.613 218 C CB 0.168 27.674 27.740 -0.389 0.000 3.378 218 C HN 0.353 nan 8.230 nan 0.000 0.406 219 E N 1.285 121.276 120.200 -0.349 0.000 2.415 219 E HA 0.152 4.502 4.350 0.000 0.000 0.197 219 E C 0.714 177.039 176.600 -0.458 0.000 1.007 219 E CA 0.827 56.985 56.400 -0.403 0.000 0.890 219 E CB 0.728 30.336 29.700 -0.153 0.000 0.891 219 E HN 0.641 nan 8.360 nan 0.000 0.496 220 V N -2.516 117.173 119.914 -0.375 0.000 3.159 220 V HA 0.560 4.680 4.120 0.000 0.000 0.308 220 V C -2.926 173.100 176.094 -0.113 0.000 1.190 220 V CA -3.038 58.990 62.300 -0.453 0.000 1.037 220 V CB 1.683 32.967 31.823 -0.898 0.000 1.060 220 V HN -0.287 nan 8.190 nan 0.000 0.437 221 P HA 0.087 nan 4.420 nan 0.000 0.270 221 P C 0.709 178.024 177.300 0.025 0.000 1.216 221 P CA -0.002 63.123 63.100 0.041 0.000 0.788 221 P CB 0.365 32.096 31.700 0.051 0.000 0.883 222 L N 2.264 123.444 121.223 -0.071 0.000 2.042 222 L HA -0.215 4.125 4.340 0.000 0.000 0.210 222 L C 1.622 178.523 176.870 0.051 0.000 1.076 222 L CA 2.242 57.025 54.840 -0.096 0.000 0.749 222 L CB -1.448 40.471 42.059 -0.235 0.000 0.893 222 L HN 0.473 nan 8.230 nan 0.000 0.432 223 D N -1.108 119.352 120.400 0.099 0.000 2.312 223 D HA -0.161 4.479 4.640 0.000 0.000 0.211 223 D C 1.522 177.901 176.300 0.133 0.000 0.964 223 D CA 1.314 55.436 54.000 0.205 0.000 0.877 223 D CB -0.346 40.653 40.800 0.332 0.000 0.924 223 D HN 0.582 nan 8.370 nan 0.000 0.515 224 I N -3.609 116.981 120.570 0.032 0.000 4.050 224 I HA 0.338 4.508 4.170 0.000 0.000 0.327 224 I C 1.439 177.490 176.117 -0.110 0.000 1.473 224 I CA -0.780 60.490 61.300 -0.049 0.000 1.124 224 I CB -0.041 37.821 38.000 -0.230 0.000 1.129 224 I HN 0.023 nan 8.210 nan 0.000 0.428 225 C N 1.582 120.860 119.300 -0.036 0.000 2.413 225 C HA -0.115 4.345 4.460 0.000 0.000 0.278 225 C C 2.216 177.259 174.990 0.089 0.000 1.224 225 C CA 1.515 60.535 59.018 0.002 0.000 1.732 225 C CB -0.528 27.250 27.740 0.063 0.000 2.050 225 C HN 0.647 nan 8.230 nan 0.000 0.463 226 Q N 0.559 120.423 119.800 0.106 0.000 2.175 226 Q HA 0.300 4.640 4.340 0.000 0.000 0.225 226 Q C 0.404 176.485 176.000 0.134 0.000 0.837 226 Q CA 0.040 55.916 55.803 0.121 0.000 1.032 226 Q CB 0.887 29.678 28.738 0.087 0.000 1.137 226 Q HN 0.658 nan 8.270 nan 0.000 0.483 227 S N -0.055 115.743 115.700 0.163 0.000 2.713 227 S HA 0.662 5.132 4.470 0.000 0.000 0.296 227 S C 0.037 174.756 174.600 0.198 0.000 1.114 227 S CA -0.522 57.771 58.200 0.155 0.000 0.997 227 S CB 0.995 64.281 63.200 0.143 0.000 1.249 227 S HN 0.117 nan 8.310 nan 0.000 0.534 228 I N 0.616 121.265 120.570 0.132 0.000 2.478 228 I HA 0.318 4.488 4.170 0.000 0.000 0.287 228 I C -1.181 174.985 176.117 0.082 0.000 1.042 228 I CA -0.156 61.178 61.300 0.057 0.000 1.067 228 I CB 1.381 39.288 38.000 -0.154 0.000 1.233 228 I HN 0.523 nan 8.210 nan 0.000 0.431 229 C N 5.868 125.275 119.300 0.178 0.000 2.285 229 C HA 0.502 4.962 4.460 0.000 0.000 0.335 229 C C 0.370 175.466 174.990 0.178 0.000 1.267 229 C CA -0.912 58.246 59.018 0.234 0.000 1.762 229 C CB -0.512 27.450 27.740 0.370 0.000 2.365 229 C HN 0.656 nan 8.230 nan 0.000 0.527 230 K N 1.923 122.448 120.400 0.209 0.000 2.166 230 K HA 0.583 4.903 4.320 0.000 0.000 0.245 230 K C -1.247 175.581 176.600 0.380 0.000 0.967 230 K CA -0.586 55.812 56.287 0.185 0.000 0.863 230 K CB 1.832 34.323 32.500 -0.015 0.000 1.107 230 K HN 0.621 nan 8.250 nan 0.000 0.436 231 Y N 1.435 121.820 120.300 0.142 0.000 2.425 231 Y HA 0.313 4.863 4.550 0.000 0.000 0.344 231 Y C -2.690 173.225 175.900 0.025 0.000 0.969 231 Y CA -2.650 55.555 58.100 0.175 0.000 1.052 231 Y CB 1.681 40.244 38.460 0.171 0.000 1.215 231 Y HN 0.407 nan 8.280 nan 0.000 0.451 232 P HA -0.052 nan 4.420 nan 0.000 0.264 232 P C -0.625 176.257 177.300 -0.696 0.000 1.183 232 P CA 0.534 63.183 63.100 -0.753 0.000 0.763 232 P CB 0.504 31.445 31.700 -1.266 0.000 0.807 233 D N 2.754 122.903 120.400 -0.419 0.000 2.741 233 D HA 0.042 4.682 4.640 0.000 0.000 0.233 233 D C 0.610 176.812 176.300 -0.163 0.000 1.160 233 D CA -0.238 53.644 54.000 -0.197 0.000 1.003 233 D CB -0.358 40.371 40.800 -0.118 0.000 1.064 233 D HN 0.293 nan 8.370 nan 0.000 0.503 234 Y N 0.602 120.850 120.300 -0.087 0.000 2.193 234 Y HA -0.236 4.314 4.550 0.000 0.000 0.285 234 Y C 2.317 178.203 175.900 -0.023 0.000 1.166 234 Y CA 0.828 58.892 58.100 -0.060 0.000 1.181 234 Y CB -0.167 38.259 38.460 -0.056 0.000 0.976 234 Y HN 0.284 nan 8.280 nan 0.000 0.520 235 L N -0.247 121.072 121.223 0.161 0.000 1.989 235 L HA -0.307 4.033 4.340 0.000 0.000 0.211 235 L C 2.702 179.604 176.870 0.053 0.000 1.071 235 L CA 2.061 56.959 54.840 0.097 0.000 0.749 235 L CB -0.668 41.443 42.059 0.087 0.000 0.890 235 L HN 0.270 nan 8.230 nan 0.000 0.431 236 Q N -0.024 119.790 119.800 0.024 0.000 2.124 236 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 236 Q C 2.206 178.206 176.000 0.000 0.000 0.977 236 Q CA 1.727 57.530 55.803 0.001 0.000 0.850 236 Q CB -0.097 28.626 28.738 -0.024 0.000 0.901 236 Q HN 0.442 nan 8.270 nan 0.000 0.429 237 M N -0.301 119.293 119.600 -0.010 0.000 2.374 237 M HA -0.064 4.416 4.480 0.000 0.000 0.264 237 M C 1.843 178.159 176.300 0.027 0.000 1.067 237 M CA 0.958 56.253 55.300 -0.008 0.000 1.103 237 M CB 0.242 32.815 32.600 -0.046 0.000 1.402 237 M HN 0.166 nan 8.290 nan 0.000 0.444 238 S N 0.373 116.097 115.700 0.041 0.000 2.446 238 S HA 0.104 4.574 4.470 0.000 0.000 0.225 238 S C 1.995 176.611 174.600 0.028 0.000 1.016 238 S CA 0.885 59.110 58.200 0.042 0.000 0.943 238 S CB -0.003 63.226 63.200 0.048 0.000 0.786 238 S HN 0.536 nan 8.310 nan 0.000 0.508 239 A N 1.271 124.107 122.820 0.026 0.000 2.072 239 A HA 0.096 4.416 4.320 0.000 0.000 0.216 239 A C 0.756 178.353 177.584 0.022 0.000 1.156 239 A CA 0.127 52.176 52.037 0.020 0.000 0.701 239 A CB -0.438 18.572 19.000 0.018 0.000 0.816 239 A HN 0.411 nan 8.150 nan 0.000 0.458 240 D N 0.709 121.127 120.400 0.030 0.000 2.658 240 D HA -0.001 4.639 4.640 0.000 0.000 0.230 240 D C -0.621 175.710 176.300 0.052 0.000 1.118 240 D CA -0.503 53.524 54.000 0.044 0.000 0.848 240 D CB 0.867 41.706 40.800 0.065 0.000 1.160 240 D HN 0.169 nan 8.370 nan 0.000 0.497 241 P HA -0.230 nan 4.420 nan 0.000 0.213 241 P C 1.025 178.328 177.300 0.005 0.000 1.170 241 P CA 1.580 64.640 63.100 -0.067 0.000 0.902 241 P CB -0.106 31.440 31.700 -0.257 0.000 0.789 242 Y N -0.188 120.223 120.300 0.185 0.000 2.184 242 Y HA 0.138 4.688 4.550 0.000 0.000 0.290 242 Y C 1.959 178.026 175.900 0.278 0.000 1.129 242 Y CA 1.118 59.364 58.100 0.243 0.000 1.144 242 Y CB -0.846 37.718 38.460 0.174 0.000 0.995 242 Y HN 0.115 nan 8.280 nan 0.000 0.513 243 G N 0.434 109.441 108.800 0.344 0.000 2.248 243 G HA2 -0.229 3.731 3.960 0.000 0.000 0.252 243 G HA3 -0.229 3.731 3.960 0.000 0.000 0.252 243 G C 0.082 175.153 174.900 0.284 0.000 1.085 243 G CA 0.384 45.640 45.100 0.260 0.000 0.845 243 G HN 0.368 nan 8.290 nan 0.000 0.494 244 D N 0.043 120.603 120.400 0.266 0.000 2.348 244 D HA 0.073 4.713 4.640 0.000 0.000 0.211 244 D C 2.325 178.641 176.300 0.026 0.000 0.998 244 D CA 0.965 55.112 54.000 0.245 0.000 0.873 244 D CB 0.104 41.072 40.800 0.281 0.000 0.925 244 D HN 0.405 nan 8.370 nan 0.000 0.524 245 S N 0.432 116.131 115.700 -0.002 0.000 2.402 245 S HA -0.060 4.410 4.470 0.000 0.000 0.229 245 S C 1.114 175.611 174.600 -0.172 0.000 1.021 245 S CA 0.693 58.828 58.200 -0.109 0.000 0.974 245 S CB -0.095 63.063 63.200 -0.070 0.000 0.800 245 S HN 0.433 nan 8.310 nan 0.000 0.484 246 M N -0.583 118.938 119.600 -0.131 0.000 2.331 246 M HA 0.415 4.895 4.480 0.000 0.000 0.249 246 M C -1.251 175.050 176.300 0.001 0.000 1.010 246 M CA -0.679 54.528 55.300 -0.155 0.000 0.939 246 M CB 0.661 33.230 32.600 -0.052 0.000 2.126 246 M HN -0.001 nan 8.290 nan 0.000 0.472 247 F N 1.091 121.144 119.950 0.172 0.000 2.698 247 F HA 0.749 5.276 4.527 0.000 0.000 0.304 247 F C -0.992 174.974 175.800 0.276 0.000 1.108 247 F CA -1.350 56.758 58.000 0.179 0.000 1.263 247 F CB -0.003 39.093 39.000 0.160 0.000 1.013 247 F HN 0.508 nan 8.300 nan 0.000 0.532 248 F N 1.228 121.336 119.950 0.263 0.000 2.652 248 F HA 0.528 5.055 4.527 0.000 0.000 0.320 248 F C -1.853 174.007 175.800 0.100 0.000 1.115 248 F CA -1.604 56.515 58.000 0.199 0.000 1.053 248 F CB 1.040 40.200 39.000 0.267 0.000 1.297 248 F HN 0.103 nan 8.300 nan 0.000 0.471 249 C N 7.661 126.644 119.300 -0.528 0.000 2.752 249 C HA 0.868 5.328 4.460 0.000 0.000 0.360 249 C C -2.268 172.428 174.990 -0.490 0.000 1.081 249 C CA -0.559 58.261 59.018 -0.330 0.000 1.272 249 C CB 0.449 28.152 27.740 -0.062 0.000 1.754 249 C HN 0.776 nan 8.230 nan 0.000 0.483 250 L N 6.432 127.443 121.223 -0.353 0.000 2.438 250 L HA 0.776 5.116 4.340 0.000 0.000 0.270 250 L C -0.060 176.727 176.870 -0.138 0.000 0.972 250 L CA -0.082 54.564 54.840 -0.324 0.000 0.831 250 L CB 1.788 43.589 42.059 -0.430 0.000 1.273 250 L HN 0.880 nan 8.230 nan 0.000 0.405 251 R N 2.257 122.681 120.500 -0.127 0.000 2.808 251 R HA 0.962 5.302 4.340 0.000 0.000 0.272 251 R C -0.963 175.301 176.300 -0.059 0.000 0.995 251 R CA -1.120 54.953 56.100 -0.046 0.000 0.917 251 R CB 2.271 32.545 30.300 -0.043 0.000 1.217 251 R HN 0.486 nan 8.270 nan 0.000 0.471 252 R N 1.353 121.847 120.500 -0.010 0.000 2.879 252 R HA 0.130 4.470 4.340 0.000 0.000 0.291 252 R C -1.618 174.705 176.300 0.039 0.000 1.246 252 R CA -0.302 55.793 56.100 -0.009 0.000 1.083 252 R CB 1.255 31.529 30.300 -0.044 0.000 1.274 252 R HN 0.982 nan 8.270 nan 0.000 0.393 253 E N 3.784 124.019 120.200 0.058 0.000 2.359 253 E HA 0.508 4.858 4.350 0.000 0.000 0.266 253 E C -1.385 175.259 176.600 0.073 0.000 0.920 253 E CA -1.063 55.389 56.400 0.087 0.000 0.788 253 E CB 2.647 32.422 29.700 0.125 0.000 1.279 253 E HN 0.583 nan 8.360 nan 0.000 0.438 254 Q N 0.671 120.524 119.800 0.087 0.000 2.617 254 Q HA 0.513 4.853 4.340 0.000 0.000 0.270 254 Q C -1.465 174.602 176.000 0.112 0.000 0.967 254 Q CA -1.111 54.745 55.803 0.089 0.000 0.887 254 Q CB 1.450 30.237 28.738 0.081 0.000 1.516 254 Q HN 0.608 nan 8.270 nan 0.000 0.395 255 L N -1.255 120.044 121.223 0.127 0.000 3.041 255 L HA 0.885 5.225 4.340 0.000 0.000 0.278 255 L C -1.704 175.301 176.870 0.225 0.000 1.051 255 L CA -0.879 54.045 54.840 0.140 0.000 0.957 255 L CB 0.574 42.664 42.059 0.053 0.000 1.538 255 L HN 1.102 nan 8.230 nan 0.000 0.393 256 F N -1.186 118.769 119.950 0.009 0.000 2.713 256 F HA 0.915 5.442 4.527 0.000 0.000 0.311 256 F C -0.809 174.991 175.800 -0.000 0.000 1.141 256 F CA -0.660 57.340 58.000 0.001 0.000 0.939 256 F CB 1.106 40.103 39.000 -0.005 0.000 1.325 256 F HN 0.901 nan 8.300 nan 0.000 0.453 257 A N 2.678 125.536 122.820 0.062 0.000 2.350 257 A HA 0.548 4.868 4.320 0.000 0.000 0.293 257 A C 0.890 178.417 177.584 -0.096 0.000 1.231 257 A CA -0.309 51.723 52.037 -0.008 0.000 0.883 257 A CB 0.567 19.719 19.000 0.253 0.000 1.133 257 A HN 0.933 nan 8.150 nan 0.000 0.533 258 R N 1.912 122.188 120.500 -0.374 0.000 2.048 258 R HA 0.078 4.418 4.340 0.000 0.000 0.224 258 R C -0.169 175.769 176.300 -0.604 0.000 1.163 258 R CA 1.557 57.429 56.100 -0.380 0.000 0.956 258 R CB -0.216 29.906 30.300 -0.296 0.000 0.849 258 R HN 0.832 nan 8.270 nan 0.000 0.435 259 H N -1.737 117.024 119.070 -0.516 0.000 2.622 259 H HA 0.382 4.938 4.556 0.000 0.000 0.363 259 H C -1.195 173.745 175.328 -0.647 0.000 1.151 259 H CA -0.601 54.977 56.048 -0.783 0.000 1.184 259 H CB 1.497 30.645 29.762 -1.024 0.000 1.643 259 H HN 0.037 nan 8.280 nan 0.000 0.531 260 F N 2.312 121.945 119.950 -0.529 0.000 2.411 260 F HA 0.292 4.819 4.527 0.000 0.000 0.352 260 F C -0.473 175.199 175.800 -0.214 0.000 1.123 260 F CA -0.756 57.055 58.000 -0.315 0.000 1.044 260 F CB 1.206 40.117 39.000 -0.148 0.000 1.135 260 F HN 0.224 nan 8.300 nan 0.000 0.461 261 W N 1.366 122.890 121.300 0.372 0.000 3.017 261 W HA 0.345 5.005 4.660 0.000 0.000 0.341 261 W C -0.759 175.926 176.519 0.277 0.000 1.180 261 W CA -1.136 56.385 57.345 0.294 0.000 1.097 261 W CB 1.335 30.956 29.460 0.268 0.000 1.468 261 W HN 0.400 nan 8.180 nan 0.000 0.584 262 N N 0.356 119.336 118.700 0.467 0.000 2.483 262 N HA 0.484 5.224 4.740 0.000 0.000 0.285 262 N C -0.781 174.793 175.510 0.106 0.000 1.210 262 N CA -0.663 52.507 53.050 0.201 0.000 0.931 262 N CB 1.297 39.867 38.487 0.138 0.000 1.220 262 N HN -0.048 nan 8.380 nan 0.000 0.542 263 R N 1.048 121.541 120.500 -0.011 0.000 2.437 263 R HA 0.435 4.775 4.340 0.000 0.000 0.310 263 R C -0.839 175.421 176.300 -0.066 0.000 0.955 263 R CA -0.610 55.463 56.100 -0.045 0.000 0.851 263 R CB 1.365 31.630 30.300 -0.058 0.000 1.161 263 R HN 0.587 nan 8.270 nan 0.000 0.446 264 A N 1.298 124.074 122.820 -0.073 0.000 2.386 264 A HA 0.693 5.013 4.320 0.000 0.000 0.248 264 A C 0.580 178.121 177.584 -0.072 0.000 1.082 264 A CA 0.718 52.714 52.037 -0.068 0.000 0.789 264 A CB 0.382 19.340 19.000 -0.071 0.000 1.025 264 A HN 0.864 nan 8.150 nan 0.000 0.490 265 G N -0.478 108.285 108.800 -0.062 0.000 2.354 265 G HA2 0.455 4.415 3.960 0.000 0.000 0.582 265 G HA3 0.455 4.415 3.960 0.000 0.000 0.582 265 G C -0.224 174.645 174.900 -0.053 0.000 1.316 265 G CA -0.056 45.010 45.100 -0.058 0.000 0.995 265 G HN 2.007 nan 8.290 nan 0.000 0.573 266 T N -1.006 113.520 114.554 -0.046 0.000 2.909 266 T HA 0.609 4.959 4.350 0.000 0.000 0.289 266 T C 0.807 175.480 174.700 -0.045 0.000 1.005 266 T CA -0.630 61.445 62.100 -0.041 0.000 1.084 266 T CB 1.104 69.953 68.868 -0.032 0.000 0.975 266 T HN 0.600 nan 8.240 nan 0.000 0.509 267 M N 3.473 123.046 119.600 -0.044 0.000 2.220 267 M HA 0.224 4.704 4.480 0.000 0.000 0.343 267 M C 1.671 177.951 176.300 -0.032 0.000 1.470 267 M CA -0.370 54.903 55.300 -0.046 0.000 1.161 267 M CB 0.141 32.712 32.600 -0.049 0.000 1.737 267 M HN 1.094 nan 8.290 nan 0.000 0.464 268 G N 3.649 112.430 108.800 -0.033 0.000 2.480 268 G HA2 -0.109 3.851 3.960 0.000 0.000 0.216 268 G HA3 -0.109 3.851 3.960 0.000 0.000 0.216 268 G C 0.290 175.179 174.900 -0.019 0.000 1.200 268 G CA 0.412 45.497 45.100 -0.025 0.000 0.782 268 G HN 0.611 nan 8.290 nan 0.000 0.554 269 D N 1.001 121.389 120.400 -0.020 0.000 2.264 269 D HA 0.353 4.993 4.640 0.000 0.000 0.250 269 D C -0.140 176.157 176.300 -0.005 0.000 1.113 269 D CA 0.180 54.173 54.000 -0.011 0.000 0.871 269 D CB 1.374 42.166 40.800 -0.012 0.000 1.167 269 D HN -0.005 nan 8.370 nan 0.000 0.447 270 T N 0.731 115.290 114.554 0.007 0.000 2.817 270 T HA 0.204 4.554 4.350 0.000 0.000 0.293 270 T C 0.661 175.388 174.700 0.045 0.000 0.964 270 T CA -0.736 61.377 62.100 0.022 0.000 1.085 270 T CB 1.140 70.025 68.868 0.029 0.000 0.921 270 T HN 0.030 nan 8.240 nan 0.000 0.502 271 V N 6.297 126.248 119.914 0.062 0.000 2.458 271 V HA 0.099 4.219 4.120 0.000 0.000 0.287 271 V C -1.804 174.409 176.094 0.197 0.000 1.009 271 V CA -1.396 60.971 62.300 0.112 0.000 1.091 271 V CB -0.564 31.310 31.823 0.085 0.000 0.960 271 V HN 0.751 nan 8.190 nan 0.000 0.476 272 P HA -0.002 nan 4.420 nan 0.000 0.260 272 P C 0.877 178.217 177.300 0.067 0.000 1.172 272 P CA 0.151 63.302 63.100 0.085 0.000 0.760 272 P CB 0.419 32.150 31.700 0.052 0.000 0.773 273 Q N 1.821 121.591 119.800 -0.051 0.000 2.234 273 Q HA -0.135 4.205 4.340 0.000 0.000 0.206 273 Q C 1.482 177.278 176.000 -0.340 0.000 0.980 273 Q CA 1.927 57.545 55.803 -0.307 0.000 0.869 273 Q CB -0.375 28.238 28.738 -0.208 0.000 0.912 273 Q HN 0.598 nan 8.270 nan 0.000 0.436 274 S N -0.715 114.897 115.700 -0.146 0.000 2.727 274 S HA 0.061 4.531 4.470 0.000 0.000 0.226 274 S C 1.441 176.007 174.600 -0.056 0.000 0.963 274 S CA 0.172 58.313 58.200 -0.100 0.000 0.950 274 S CB -0.127 63.043 63.200 -0.049 0.000 0.779 274 S HN 0.277 nan 8.310 nan 0.000 0.532 275 L N 0.043 121.247 121.223 -0.031 0.000 2.766 275 L HA 0.425 4.765 4.340 0.000 0.000 0.242 275 L C -0.003 176.989 176.870 0.204 0.000 1.136 275 L CA -0.420 54.479 54.840 0.098 0.000 0.933 275 L CB 0.125 42.285 42.059 0.169 0.000 1.241 275 L HN 0.597 nan 8.230 nan 0.000 0.522 276 Y N -2.714 117.593 120.300 0.011 0.000 2.788 276 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 276 Y C -1.164 174.743 175.900 0.011 0.000 1.287 276 Y CA -1.618 56.490 58.100 0.013 0.000 1.068 276 Y CB 0.970 39.441 38.460 0.018 0.000 1.340 276 Y HN -0.328 nan 8.280 nan 0.000 0.449 277 I N 2.326 123.009 120.570 0.188 0.000 2.382 277 I HA 0.351 4.521 4.170 0.000 0.000 0.286 277 I C -0.245 175.984 176.117 0.186 0.000 1.002 277 I CA -1.461 59.884 61.300 0.074 0.000 1.135 277 I CB 1.251 39.288 38.000 0.061 0.000 1.288 277 I HN 0.660 nan 8.210 nan 0.000 0.448 278 K N 3.133 123.604 120.400 0.118 0.000 2.494 278 K HA 0.301 4.621 4.320 0.000 0.000 0.273 278 K C 0.667 177.337 176.600 0.117 0.000 0.970 278 K CA 0.238 56.631 56.287 0.177 0.000 0.963 278 K CB 0.845 33.403 32.500 0.097 0.000 0.913 278 K HN 0.902 nan 8.250 nan 0.000 0.502 279 G N 0.334 109.199 108.800 0.108 0.000 3.217 279 G HA2 0.518 4.478 3.960 0.000 0.000 0.213 279 G HA3 0.518 4.478 3.960 0.000 0.000 0.213 279 G C -0.833 174.098 174.900 0.052 0.000 1.294 279 G CA -0.448 44.693 45.100 0.068 0.000 0.987 279 G HN 0.603 nan 8.290 nan 0.000 0.584 280 T N -3.385 111.192 114.554 0.039 0.000 2.907 280 T HA 0.716 5.066 4.350 0.000 0.000 0.290 280 T C 0.842 175.557 174.700 0.026 0.000 1.066 280 T CA 0.474 62.592 62.100 0.030 0.000 1.012 280 T CB 1.252 70.134 68.868 0.024 0.000 1.184 280 T HN 2.335 nan 8.240 nan 0.000 0.522 281 G N 1.591 110.404 108.800 0.021 0.000 2.564 281 G HA2 -0.344 3.616 3.960 0.000 0.000 0.273 281 G HA3 -0.344 3.616 3.960 0.000 0.000 0.273 281 G C 0.967 175.877 174.900 0.017 0.000 1.242 281 G CA 1.043 46.153 45.100 0.017 0.000 0.951 281 G HN 1.584 nan 8.290 nan 0.000 0.564 282 M N -0.732 118.877 119.600 0.014 0.000 2.202 282 M HA 0.068 4.549 4.480 0.000 0.000 0.262 282 M C 2.169 178.475 176.300 0.010 0.000 1.063 282 M CA 2.528 57.834 55.300 0.010 0.000 1.097 282 M CB -0.250 32.356 32.600 0.010 0.000 1.382 282 M HN 0.399 nan 8.290 nan 0.000 0.413 283 R N 0.784 121.294 120.500 0.016 0.000 2.328 283 R HA 0.215 4.555 4.340 0.000 0.000 0.206 283 R C 1.950 178.268 176.300 0.031 0.000 0.990 283 R CA 0.339 56.449 56.100 0.017 0.000 1.085 283 R CB -0.207 30.108 30.300 0.024 0.000 0.998 283 R HN 0.610 nan 8.270 nan 0.000 0.484 284 A N 0.033 122.873 122.820 0.032 0.000 1.874 284 A HA -0.011 4.309 4.320 0.000 0.000 0.214 284 A C 1.124 178.750 177.584 0.069 0.000 1.189 284 A CA 0.863 52.931 52.037 0.051 0.000 0.615 284 A CB 0.180 19.203 19.000 0.039 0.000 0.830 284 A HN 0.211 nan 8.150 nan 0.000 0.443 285 S N 0.509 116.230 115.700 0.034 0.000 2.482 285 S HA 0.555 5.025 4.470 0.000 0.000 0.303 285 S C -2.803 171.762 174.600 -0.058 0.000 1.091 285 S CA -1.784 56.428 58.200 0.020 0.000 1.057 285 S CB 1.116 64.329 63.200 0.021 0.000 1.031 285 S HN 0.267 nan 8.310 nan 0.000 0.485 286 P HA 0.220 nan 4.420 nan 0.000 0.267 286 P C 0.511 177.734 177.300 -0.128 0.000 1.200 286 P CA -0.135 62.820 63.100 -0.243 0.000 0.772 286 P CB 0.290 31.718 31.700 -0.454 0.000 0.855 287 G N 1.204 109.942 108.800 -0.103 0.000 2.666 287 G HA2 0.201 4.161 3.960 0.000 0.000 0.207 287 G HA3 0.201 4.161 3.960 0.000 0.000 0.207 287 G C -0.293 174.551 174.900 -0.094 0.000 1.481 287 G CA -0.430 44.628 45.100 -0.072 0.000 1.071 287 G HN 0.593 nan 8.290 nan 0.000 0.572 288 S N -1.828 113.811 115.700 -0.101 0.000 2.549 288 S HA 0.231 4.701 4.470 0.000 0.000 0.279 288 S C 0.336 174.762 174.600 -0.290 0.000 1.321 288 S CA -0.639 57.463 58.200 -0.163 0.000 1.054 288 S CB 0.076 63.187 63.200 -0.148 0.000 0.899 288 S HN 0.520 nan 8.310 nan 0.000 0.497 289 C N 4.966 124.068 119.300 -0.330 0.000 2.849 289 C HA 0.382 4.842 4.460 0.000 0.000 0.271 289 C C -0.323 174.347 174.990 -0.533 0.000 1.519 289 C CA -0.720 58.028 59.018 -0.450 0.000 1.783 289 C CB -1.260 26.397 27.740 -0.139 0.000 2.869 289 C HN 0.613 nan 8.230 nan 0.000 0.527 290 V N 1.723 121.302 119.914 -0.559 0.000 2.304 290 V HA 0.371 4.491 4.120 0.000 0.000 0.278 290 V C -0.774 175.111 176.094 -0.348 0.000 1.018 290 V CA -0.336 61.778 62.300 -0.311 0.000 0.814 290 V CB -0.156 31.576 31.823 -0.153 0.000 1.021 290 V HN 0.447 nan 8.190 nan 0.000 0.440 291 Y N 2.200 122.522 120.300 0.037 0.000 2.387 291 Y HA 0.704 5.254 4.550 0.000 0.000 0.330 291 Y C 0.687 176.630 175.900 0.071 0.000 1.133 291 Y CA -0.621 57.515 58.100 0.060 0.000 1.152 291 Y CB 2.139 40.601 38.460 0.003 0.000 1.215 291 Y HN 0.629 nan 8.280 nan 0.000 0.466 292 S N 2.593 118.470 115.700 0.295 0.000 2.649 292 S HA 0.553 5.023 4.470 0.000 0.000 0.274 292 S C -3.368 171.388 174.600 0.261 0.000 1.176 292 S CA -1.444 56.905 58.200 0.248 0.000 0.988 292 S CB 2.259 65.643 63.200 0.307 0.000 1.071 292 S HN 0.386 nan 8.310 nan 0.000 0.478 293 P HA 0.413 nan 4.420 nan 0.000 0.287 293 P C -0.405 176.879 177.300 -0.027 0.000 1.270 293 P CA -0.503 62.622 63.100 0.042 0.000 0.844 293 P CB 1.486 33.183 31.700 -0.004 0.000 1.068 294 S N 2.453 118.079 115.700 -0.123 0.000 2.489 294 S HA 0.415 4.885 4.470 0.000 0.000 0.277 294 S C -1.964 172.516 174.600 -0.200 0.000 1.230 294 S CA -1.230 56.919 58.200 -0.085 0.000 1.053 294 S CB 0.149 63.291 63.200 -0.096 0.000 0.955 294 S HN 0.343 nan 8.310 nan 0.000 0.488 295 P HA 0.356 nan 4.420 nan 0.000 0.275 295 P C -0.496 176.647 177.300 -0.262 0.000 1.266 295 P CA -0.483 62.476 63.100 -0.236 0.000 0.793 295 P CB 0.878 32.470 31.700 -0.180 0.000 1.074 296 S N -1.260 114.252 115.700 -0.314 0.000 2.581 296 S HA 0.469 4.939 4.470 0.000 0.000 0.306 296 S C -0.721 173.759 174.600 -0.199 0.000 1.080 296 S CA -0.614 57.378 58.200 -0.347 0.000 0.925 296 S CB -0.249 62.519 63.200 -0.721 0.000 1.128 296 S HN 0.680 nan 8.310 nan 0.000 0.451 297 G N 2.726 111.541 108.800 0.025 0.000 2.353 297 G HA2 0.507 4.467 3.960 0.000 0.000 0.284 297 G HA3 0.507 4.467 3.960 0.000 0.000 0.284 297 G C 0.564 175.598 174.900 0.222 0.000 1.172 297 G CA -0.004 45.183 45.100 0.144 0.000 0.854 297 G HN 0.777 nan 8.290 nan 0.000 0.485 298 S N 1.378 117.264 115.700 0.310 0.000 2.184 298 S HA 0.156 4.626 4.470 0.000 0.000 0.202 298 S C 1.020 175.710 174.600 0.151 0.000 1.373 298 S CA -0.337 58.032 58.200 0.281 0.000 1.117 298 S CB -0.205 63.084 63.200 0.148 0.000 0.715 298 S HN 0.373 nan 8.310 nan 0.000 0.427 299 I N 1.119 121.741 120.570 0.087 0.000 2.683 299 I HA 0.142 4.312 4.170 0.000 0.000 0.286 299 I C -0.091 176.062 176.117 0.059 0.000 1.175 299 I CA 0.419 61.754 61.300 0.058 0.000 1.429 299 I CB 0.810 38.826 38.000 0.027 0.000 1.371 299 I HN 0.198 nan 8.210 nan 0.000 0.569 300 V N 6.970 126.918 119.914 0.056 0.000 2.347 300 V HA 0.582 4.702 4.120 0.000 0.000 0.280 300 V C -0.158 175.958 176.094 0.036 0.000 1.021 300 V CA 0.102 62.432 62.300 0.052 0.000 0.847 300 V CB 1.459 33.317 31.823 0.059 0.000 0.990 300 V HN 0.860 nan 8.190 nan 0.000 0.444 301 T N 3.073 117.644 114.554 0.028 0.000 2.916 301 T HA 0.389 4.739 4.350 0.000 0.000 0.292 301 T C 1.172 175.881 174.700 0.015 0.000 1.055 301 T CA 0.142 62.253 62.100 0.018 0.000 1.009 301 T CB 1.942 70.817 68.868 0.012 0.000 1.118 301 T HN 1.028 nan 8.240 nan 0.000 0.497 302 S N 1.693 117.399 115.700 0.011 0.000 2.453 302 S HA -0.059 4.411 4.470 0.000 0.000 0.231 302 S C 1.254 175.855 174.600 0.002 0.000 1.005 302 S CA 0.913 59.117 58.200 0.008 0.000 0.949 302 S CB -0.347 62.857 63.200 0.006 0.000 0.774 302 S HN 0.772 nan 8.310 nan 0.000 0.510 303 D N 2.523 122.924 120.400 0.001 0.000 2.182 303 D HA -0.077 4.563 4.640 0.000 0.000 0.201 303 D C 1.662 177.959 176.300 -0.005 0.000 0.986 303 D CA 1.670 55.668 54.000 -0.003 0.000 0.847 303 D CB -0.339 40.460 40.800 -0.002 0.000 0.942 303 D HN 0.704 nan 8.370 nan 0.000 0.467 304 S N -0.214 115.483 115.700 -0.005 0.000 2.573 304 S HA 0.147 4.617 4.470 0.000 0.000 0.244 304 S C 0.511 175.095 174.600 -0.027 0.000 0.984 304 S CA -0.620 57.573 58.200 -0.012 0.000 1.001 304 S CB 0.514 63.711 63.200 -0.006 0.000 0.788 304 S HN -0.092 nan 8.310 nan 0.000 0.456 305 Q N 0.927 120.713 119.800 -0.024 0.000 2.373 305 Q HA 0.450 4.790 4.340 0.000 0.000 0.255 305 Q C 0.363 176.308 176.000 -0.092 0.000 0.980 305 Q CA -0.149 55.628 55.803 -0.043 0.000 0.882 305 Q CB 1.069 29.803 28.738 -0.007 0.000 1.249 305 Q HN 0.402 nan 8.270 nan 0.000 0.438 306 L N 2.538 123.616 121.223 -0.241 0.000 2.638 306 L HA 0.421 4.761 4.340 0.000 0.000 0.232 306 L C -0.702 175.936 176.870 -0.387 0.000 1.099 306 L CA 0.383 55.004 54.840 -0.364 0.000 0.883 306 L CB 0.297 41.979 42.059 -0.628 0.000 1.136 306 L HN 0.624 nan 8.230 nan 0.000 0.492 307 F N -1.135 118.878 119.950 0.105 0.000 2.629 307 F HA 0.316 4.843 4.527 0.000 0.000 0.386 307 F C 1.396 177.185 175.800 -0.018 0.000 1.135 307 F CA -0.815 57.229 58.000 0.073 0.000 1.116 307 F CB 0.309 39.330 39.000 0.035 0.000 1.426 307 F HN -0.173 nan 8.300 nan 0.000 0.501 308 N N -0.637 118.176 118.700 0.188 0.000 2.815 308 N HA -0.226 4.514 4.740 0.000 0.000 0.247 308 N C -1.096 174.373 175.510 -0.069 0.000 1.030 308 N CA 0.745 53.807 53.050 0.020 0.000 0.881 308 N CB -0.739 37.760 38.487 0.020 0.000 1.134 308 N HN 0.380 nan 8.380 nan 0.000 0.582 309 K N 0.363 120.683 120.400 -0.133 0.000 2.318 309 K HA 0.487 4.807 4.320 0.000 0.000 0.249 309 K C -2.582 173.668 176.600 -0.583 0.000 0.942 309 K CA -1.645 54.439 56.287 -0.338 0.000 0.808 309 K CB 2.255 34.508 32.500 -0.411 0.000 1.189 309 K HN -0.127 nan 8.250 nan 0.000 0.428 310 P HA 0.231 nan 4.420 nan 0.000 0.282 310 P C -1.403 175.179 177.300 -1.197 0.000 1.259 310 P CA -0.415 62.190 63.100 -0.825 0.000 0.826 310 P CB 0.749 31.996 31.700 -0.754 0.000 1.064 311 Y N -0.526 119.288 120.300 -0.811 0.000 2.457 311 Y HA 0.374 4.924 4.550 0.000 0.000 0.343 311 Y C -0.602 174.837 175.900 -0.769 0.000 0.994 311 Y CA -0.526 57.199 58.100 -0.625 0.000 1.031 311 Y CB 1.859 40.238 38.460 -0.136 0.000 1.246 311 Y HN 0.351 nan 8.280 nan 0.000 0.449 312 W N 4.668 126.092 121.300 0.207 0.000 2.417 312 W HA 0.621 5.281 4.660 0.000 0.000 0.315 312 W C -1.026 175.635 176.519 0.238 0.000 1.045 312 W CA -0.921 56.514 57.345 0.149 0.000 1.221 312 W CB 0.908 30.460 29.460 0.153 0.000 1.309 312 W HN 0.270 nan 8.180 nan 0.000 0.453 313 L N 5.716 127.127 121.223 0.314 0.000 2.395 313 L HA 0.100 4.440 4.340 0.000 0.000 0.268 313 L C 1.794 178.825 176.870 0.268 0.000 1.223 313 L CA -0.590 54.411 54.840 0.270 0.000 1.093 313 L CB -0.720 41.370 42.059 0.053 0.000 1.349 313 L HN 0.659 nan 8.230 nan 0.000 0.427 314 H N 1.678 120.884 119.070 0.227 0.000 2.267 314 H HA -0.017 4.539 4.556 0.000 0.000 0.297 314 H C -0.020 175.385 175.328 0.128 0.000 1.080 314 H CA 0.810 56.962 56.048 0.174 0.000 1.278 314 H CB -0.043 29.819 29.762 0.167 0.000 1.365 314 H HN 0.399 nan 8.280 nan 0.000 0.489 315 K N 0.384 120.353 120.400 -0.718 0.000 2.695 315 K HA 0.565 4.885 4.320 0.000 0.000 0.255 315 K C -0.825 175.567 176.600 -0.347 0.000 1.016 315 K CA 0.019 56.080 56.287 -0.376 0.000 0.928 315 K CB 2.777 35.162 32.500 -0.191 0.000 1.235 315 K HN 0.470 nan 8.250 nan 0.000 0.467 316 A N 1.820 124.566 122.820 -0.122 0.000 2.577 316 A HA -0.084 4.236 4.320 0.000 0.000 0.233 316 A C 1.269 178.877 177.584 0.039 0.000 1.076 316 A CA 0.484 52.536 52.037 0.024 0.000 0.767 316 A CB 0.252 19.312 19.000 0.100 0.000 1.017 316 A HN 0.875 nan 8.150 nan 0.000 0.511 317 Q N 1.305 121.163 119.800 0.097 0.000 2.096 317 Q HA 0.227 4.567 4.340 0.000 0.000 0.197 317 Q C 1.145 177.169 176.000 0.040 0.000 0.964 317 Q CA 1.350 57.191 55.803 0.063 0.000 0.838 317 Q CB -0.847 27.934 28.738 0.071 0.000 0.906 317 Q HN 0.832 nan 8.270 nan 0.000 0.444 318 G N -0.540 108.313 108.800 0.089 0.000 2.514 318 G HA2 0.101 4.061 3.960 0.000 0.000 0.245 318 G HA3 0.101 4.061 3.960 0.000 0.000 0.245 318 G C -0.095 174.838 174.900 0.055 0.000 1.488 318 G CA 0.069 45.201 45.100 0.054 0.000 1.063 318 G HN 0.471 nan 8.290 nan 0.000 0.557 319 H N -1.117 118.066 119.070 0.190 0.000 2.520 319 H HA 0.110 4.666 4.556 0.000 0.000 0.279 319 H C 0.678 176.143 175.328 0.228 0.000 0.990 319 H CA -0.160 56.008 56.048 0.200 0.000 1.288 319 H CB 0.425 30.329 29.762 0.236 0.000 1.446 319 H HN 0.235 nan 8.280 nan 0.000 0.538 320 N N 1.410 120.356 118.700 0.409 0.000 2.422 320 N HA -0.070 4.670 4.740 0.000 0.000 0.264 320 N C -0.808 174.821 175.510 0.199 0.000 1.063 320 N CA 0.078 53.344 53.050 0.360 0.000 0.959 320 N CB 0.474 39.263 38.487 0.504 0.000 1.087 320 N HN 0.225 nan 8.380 nan 0.000 0.483 321 N N 2.947 121.662 118.700 0.026 0.000 3.271 321 N HA 0.157 4.897 4.740 0.000 0.000 0.303 321 N C 0.517 175.820 175.510 -0.345 0.000 1.415 321 N CA 0.374 53.360 53.050 -0.107 0.000 1.159 321 N CB -0.479 37.968 38.487 -0.066 0.000 1.432 321 N HN 0.860 nan 8.380 nan 0.000 0.521 322 G N 0.124 108.432 108.800 -0.819 0.000 2.159 322 G HA2 -0.267 3.693 3.960 0.000 0.000 0.256 322 G HA3 -0.267 3.693 3.960 0.000 0.000 0.256 322 G C 0.100 174.642 174.900 -0.596 0.000 0.977 322 G CA 0.222 44.569 45.100 -1.256 0.000 0.652 322 G HN 0.331 nan 8.290 nan 0.000 0.531 323 V N 1.293 120.972 119.914 -0.391 0.000 2.446 323 V HA 0.224 4.344 4.120 0.000 0.000 0.276 323 V C 1.223 177.097 176.094 -0.367 0.000 1.030 323 V CA 0.054 62.096 62.300 -0.431 0.000 1.033 323 V CB 0.833 32.232 31.823 -0.707 0.000 0.993 323 V HN 0.445 nan 8.190 nan 0.000 0.477 324 C N 5.937 125.126 119.300 -0.186 0.000 2.262 324 C HA 0.266 4.726 4.460 0.000 0.000 0.413 324 C C 0.454 175.467 174.990 0.040 0.000 1.019 324 C CA -1.418 57.618 59.018 0.029 0.000 1.320 324 C CB -1.912 25.896 27.740 0.114 0.000 1.657 324 C HN 0.851 nan 8.230 nan 0.000 0.510 325 W N 1.689 123.137 121.300 0.246 0.000 2.193 325 W HA 0.260 4.920 4.660 0.000 0.000 0.338 325 W C 1.224 177.909 176.519 0.277 0.000 1.310 325 W CA 0.360 57.830 57.345 0.208 0.000 1.243 325 W CB -0.107 29.481 29.460 0.213 0.000 1.165 325 W HN 0.792 nan 8.180 nan 0.000 0.566 326 H N 0.319 119.579 119.070 0.318 0.000 3.080 326 H HA -0.251 4.305 4.556 0.000 0.000 0.254 326 H C 0.281 175.691 175.328 0.137 0.000 1.179 326 H CA 1.026 57.181 56.048 0.178 0.000 1.144 326 H CB -1.905 27.961 29.762 0.173 0.000 1.261 326 H HN 0.526 nan 8.280 nan 0.000 0.333 327 N N 0.249 119.077 118.700 0.214 0.000 2.705 327 N HA -0.214 4.526 4.740 0.000 0.000 0.255 327 N C -0.264 175.283 175.510 0.062 0.000 1.008 327 N CA 1.526 54.646 53.050 0.117 0.000 0.742 327 N CB -0.643 37.887 38.487 0.072 0.000 0.906 327 N HN 0.740 nan 8.380 nan 0.000 0.541 328 Q N -0.730 119.131 119.800 0.103 0.000 2.484 328 Q HA 0.795 5.135 4.340 0.000 0.000 0.285 328 Q C -1.157 174.860 176.000 0.028 0.000 1.097 328 Q CA -0.900 54.916 55.803 0.021 0.000 0.802 328 Q CB 2.458 31.273 28.738 0.128 0.000 1.444 328 Q HN 0.239 nan 8.270 nan 0.000 0.429 329 L N 0.957 122.100 121.223 -0.133 0.000 2.611 329 L HA 0.512 4.852 4.340 0.000 0.000 0.260 329 L C -2.141 174.600 176.870 -0.215 0.000 0.924 329 L CA -0.111 54.717 54.840 -0.019 0.000 0.901 329 L CB 1.601 43.624 42.059 -0.060 0.000 1.369 329 L HN 0.493 nan 8.230 nan 0.000 0.415 330 F N 4.629 124.515 119.950 -0.107 0.000 2.426 330 F HA 0.664 5.191 4.527 0.000 0.000 0.348 330 F C -0.113 175.660 175.800 -0.045 0.000 1.124 330 F CA -0.806 57.103 58.000 -0.152 0.000 1.008 330 F CB 2.025 40.858 39.000 -0.278 0.000 1.139 330 F HN 0.098 nan 8.300 nan 0.000 0.452 331 V N 3.028 123.049 119.914 0.179 0.000 2.313 331 V HA 0.364 4.484 4.120 0.000 0.000 0.278 331 V C -0.236 175.997 176.094 0.233 0.000 1.017 331 V CA -0.630 61.816 62.300 0.245 0.000 0.823 331 V CB 1.276 33.287 31.823 0.313 0.000 1.010 331 V HN 0.762 nan 8.190 nan 0.000 0.443 332 T N 4.868 119.532 114.554 0.184 0.000 2.767 332 T HA 0.663 5.013 4.350 0.000 0.000 0.288 332 T C -0.223 174.606 174.700 0.215 0.000 0.963 332 T CA -0.339 61.855 62.100 0.157 0.000 1.019 332 T CB 1.527 70.466 68.868 0.119 0.000 0.923 332 T HN 0.346 nan 8.240 nan 0.000 0.468 333 V N 3.483 123.512 119.914 0.192 0.000 2.876 333 V HA 0.692 4.812 4.120 0.000 0.000 0.312 333 V C -0.732 175.481 176.094 0.199 0.000 1.085 333 V CA -0.789 61.650 62.300 0.232 0.000 0.945 333 V CB 2.443 34.395 31.823 0.215 0.000 1.017 333 V HN 0.693 nan 8.190 nan 0.000 0.428 334 V N 2.579 122.635 119.914 0.236 0.000 2.612 334 V HA 0.582 4.702 4.120 0.000 0.000 0.301 334 V C -1.463 174.779 176.094 0.247 0.000 1.059 334 V CA -0.397 61.981 62.300 0.129 0.000 0.886 334 V CB 1.954 33.756 31.823 -0.034 0.000 1.007 334 V HN 1.025 nan 8.190 nan 0.000 0.426 335 D N 2.397 122.915 120.400 0.198 0.000 2.478 335 D HA 0.353 4.993 4.640 0.000 0.000 0.240 335 D C 0.608 176.946 176.300 0.065 0.000 1.364 335 D CA 0.176 54.318 54.000 0.236 0.000 0.987 335 D CB 1.974 42.979 40.800 0.341 0.000 1.328 335 D HN 0.607 nan 8.370 nan 0.000 0.584 336 T N -0.448 114.109 114.554 0.005 0.000 3.122 336 T HA 0.032 4.382 4.350 0.000 0.000 0.250 336 T C 1.398 176.075 174.700 -0.038 0.000 1.067 336 T CA 0.577 62.586 62.100 -0.151 0.000 0.966 336 T CB -0.145 68.607 68.868 -0.194 0.000 1.002 336 T HN 0.317 nan 8.240 nan 0.000 0.542 337 T N -0.186 114.390 114.554 0.037 0.000 3.148 337 T HA 0.244 4.594 4.350 0.000 0.000 0.253 337 T C 0.831 175.556 174.700 0.041 0.000 1.134 337 T CA -0.351 61.780 62.100 0.052 0.000 1.051 337 T CB -0.334 68.575 68.868 0.068 0.000 0.959 337 T HN 0.386 nan 8.240 nan 0.000 0.525 338 R N 1.268 121.785 120.500 0.027 0.000 2.644 338 R HA 0.287 4.627 4.340 0.000 0.000 0.271 338 R C 0.181 176.520 176.300 0.066 0.000 1.687 338 R CA -0.041 56.084 56.100 0.043 0.000 1.655 338 R CB 0.930 31.249 30.300 0.031 0.000 1.285 338 R HN 0.406 nan 8.270 nan 0.000 0.643 339 S N -1.679 114.020 115.700 -0.002 0.000 2.663 339 S HA 0.003 4.473 4.470 0.000 0.000 0.243 339 S C 0.657 175.166 174.600 -0.152 0.000 1.009 339 S CA -0.552 57.564 58.200 -0.139 0.000 0.988 339 S CB 0.298 63.402 63.200 -0.161 0.000 0.896 339 S HN 0.318 nan 8.310 nan 0.000 0.502 340 T N 2.251 116.800 114.554 -0.009 0.000 2.871 340 T HA 0.181 4.531 4.350 0.000 0.000 0.296 340 T C -0.281 174.431 174.700 0.020 0.000 0.998 340 T CA -0.229 61.877 62.100 0.010 0.000 1.162 340 T CB -0.307 68.587 68.868 0.042 0.000 0.947 340 T HN 0.445 nan 8.240 nan 0.000 0.536 341 N N 2.786 121.475 118.700 -0.018 0.000 2.444 341 N HA 0.359 5.099 4.740 0.000 0.000 0.262 341 N C -0.186 175.339 175.510 0.024 0.000 0.974 341 N CA -0.778 52.268 53.050 -0.007 0.000 0.933 341 N CB 1.050 39.487 38.487 -0.084 0.000 1.137 341 N HN 0.512 nan 8.380 nan 0.000 0.498 342 L N 1.648 122.900 121.223 0.049 0.000 2.483 342 L HA 0.100 4.440 4.340 0.000 0.000 0.276 342 L C 0.538 177.430 176.870 0.037 0.000 1.213 342 L CA 0.300 55.165 54.840 0.041 0.000 0.843 342 L CB 0.062 42.146 42.059 0.042 0.000 1.107 342 L HN 0.451 nan 8.230 nan 0.000 0.487 343 T N 3.660 118.241 114.554 0.045 0.000 2.779 343 T HA 0.638 4.988 4.350 0.000 0.000 0.280 343 T C -0.349 174.399 174.700 0.079 0.000 0.987 343 T CA -0.318 61.818 62.100 0.061 0.000 0.966 343 T CB 1.109 70.008 68.868 0.052 0.000 0.933 343 T HN 0.155 nan 8.240 nan 0.000 0.442 344 I N 3.108 123.749 120.570 0.118 0.000 2.646 344 I HA 0.680 4.851 4.170 0.000 0.000 0.299 344 I C -0.237 176.013 176.117 0.222 0.000 1.036 344 I CA -0.805 60.573 61.300 0.131 0.000 1.074 344 I CB 1.812 39.861 38.000 0.082 0.000 1.258 344 I HN 0.854 nan 8.210 nan 0.000 0.430 345 C N 2.979 122.404 119.300 0.209 0.000 2.871 345 C HA 0.964 5.424 4.460 0.000 0.000 0.378 345 C C -0.518 174.623 174.990 0.251 0.000 1.052 345 C CA -0.844 58.346 59.018 0.286 0.000 1.250 345 C CB 0.408 28.314 27.740 0.277 0.000 1.689 345 C HN 1.077 nan 8.230 nan 0.000 0.506 346 A N 2.784 125.743 122.820 0.232 0.000 2.380 346 A HA 0.979 5.299 4.320 0.000 0.000 0.315 346 A C 0.112 177.685 177.584 -0.018 0.000 1.101 346 A CA 0.083 52.181 52.037 0.101 0.000 0.771 346 A CB 1.347 20.376 19.000 0.049 0.000 1.287 346 A HN 2.119 nan 8.150 nan 0.000 0.436 347 S N 0.227 115.787 115.700 -0.233 0.000 2.632 347 S HA 0.414 4.884 4.470 0.000 0.000 0.271 347 S C 0.722 175.149 174.600 -0.288 0.000 1.260 347 S CA 0.308 58.163 58.200 -0.574 0.000 1.010 347 S CB 1.062 63.774 63.200 -0.814 0.000 0.965 347 S HN 0.610 nan 8.310 nan 0.000 0.534 348 T N 1.038 115.420 114.554 -0.287 0.000 2.896 348 T HA 0.034 4.384 4.350 0.000 0.000 0.263 348 T C 0.491 175.116 174.700 -0.125 0.000 1.050 348 T CA 0.926 62.940 62.100 -0.145 0.000 1.140 348 T CB -0.187 68.614 68.868 -0.112 0.000 0.877 348 T HN 0.564 nan 8.240 nan 0.000 0.457 349 Q N 1.074 120.777 119.800 -0.161 0.000 2.293 349 Q HA 0.341 4.681 4.340 0.000 0.000 0.251 349 Q C 1.243 177.186 176.000 -0.096 0.000 0.930 349 Q CA -0.073 55.665 55.803 -0.108 0.000 0.893 349 Q CB 1.367 30.045 28.738 -0.101 0.000 1.215 349 Q HN 0.118 nan 8.270 nan 0.000 0.425 350 S N 2.134 117.799 115.700 -0.059 0.000 2.377 350 S HA -0.026 4.444 4.470 0.000 0.000 0.223 350 S C -0.820 173.759 174.600 -0.035 0.000 1.030 350 S CA 0.588 58.761 58.200 -0.044 0.000 0.970 350 S CB -0.591 62.592 63.200 -0.029 0.000 0.830 350 S HN 0.478 nan 8.310 nan 0.000 0.473 351 P HA 0.151 nan 4.420 nan 0.000 0.226 351 P C -0.328 176.968 177.300 -0.006 0.000 1.153 351 P CA 0.455 63.547 63.100 -0.012 0.000 0.777 351 P CB -0.027 31.669 31.700 -0.007 0.000 0.794 352 V N -0.726 119.172 119.914 -0.026 0.000 4.959 352 V HA -0.115 4.005 4.120 0.000 0.000 0.370 352 V C -1.962 174.152 176.094 0.035 0.000 0.656 352 V CA -0.913 61.382 62.300 -0.010 0.000 1.480 352 V CB -2.178 29.660 31.823 0.026 0.000 1.789 352 V HN 0.294 nan 8.190 nan 0.000 0.474 353 P HA 0.095 nan 4.420 nan 0.000 0.264 353 P C 1.149 178.512 177.300 0.104 0.000 1.179 353 P CA 0.907 64.042 63.100 0.058 0.000 0.763 353 P CB 0.853 32.581 31.700 0.046 0.000 0.806 354 G N 1.108 109.958 108.800 0.082 0.000 2.985 354 G HA2 -0.022 3.938 3.960 0.000 0.000 0.209 354 G HA3 -0.022 3.938 3.960 0.000 0.000 0.209 354 G C 0.534 175.495 174.900 0.101 0.000 1.165 354 G CA 0.219 45.372 45.100 0.088 0.000 0.776 354 G HN 0.544 nan 8.290 nan 0.000 0.541 355 Q N -0.075 119.792 119.800 0.112 0.000 2.331 355 Q HA 0.473 4.813 4.340 0.000 0.000 0.267 355 Q C -1.432 174.671 176.000 0.173 0.000 1.006 355 Q CA -1.145 54.729 55.803 0.119 0.000 0.818 355 Q CB 1.246 30.030 28.738 0.077 0.000 1.276 355 Q HN 0.227 nan 8.270 nan 0.000 0.450 356 Y N 2.892 123.228 120.300 0.061 0.000 2.359 356 Y HA 0.437 4.987 4.550 0.000 0.000 0.330 356 Y C -0.880 175.059 175.900 0.066 0.000 1.143 356 Y CA 0.259 58.393 58.100 0.057 0.000 1.318 356 Y CB 0.952 39.403 38.460 -0.015 0.000 1.234 356 Y HN 0.681 nan 8.280 nan 0.000 0.522 357 D N 4.498 124.446 120.400 -0.753 0.000 2.452 357 D HA 0.303 4.943 4.640 0.000 0.000 0.226 357 D C 0.303 176.264 176.300 -0.565 0.000 1.366 357 D CA 0.189 53.870 54.000 -0.532 0.000 0.986 357 D CB 1.137 41.849 40.800 -0.147 0.000 1.420 357 D HN 0.721 nan 8.370 nan 0.000 0.583 358 A N 2.489 124.926 122.820 -0.639 0.000 1.940 358 A HA -0.244 4.076 4.320 0.000 0.000 0.221 358 A C 2.008 179.570 177.584 -0.037 0.000 1.190 358 A CA 2.761 54.634 52.037 -0.272 0.000 0.647 358 A CB -1.036 17.912 19.000 -0.087 0.000 0.821 358 A HN 0.698 nan 8.150 nan 0.000 0.457 359 T N -2.289 112.243 114.554 -0.036 0.000 3.007 359 T HA -0.048 4.302 4.350 0.000 0.000 0.270 359 T C 1.277 175.998 174.700 0.036 0.000 1.107 359 T CA 1.488 63.592 62.100 0.006 0.000 1.118 359 T CB -0.349 68.512 68.868 -0.012 0.000 0.889 359 T HN 0.593 nan 8.240 nan 0.000 0.506 360 K N 0.306 120.754 120.400 0.080 0.000 2.437 360 K HA 0.294 4.614 4.320 0.000 0.000 0.198 360 K C -0.895 175.629 176.600 -0.127 0.000 1.024 360 K CA -0.149 56.137 56.287 -0.001 0.000 1.148 360 K CB 0.109 32.581 32.500 -0.046 0.000 0.860 360 K HN 0.354 nan 8.250 nan 0.000 0.515 361 F N 0.919 120.847 119.950 -0.037 0.000 2.556 361 F HA 0.356 4.883 4.527 0.000 0.000 0.314 361 F C -0.071 175.737 175.800 0.014 0.000 1.106 361 F CA -1.080 56.926 58.000 0.010 0.000 0.911 361 F CB 1.654 40.670 39.000 0.028 0.000 1.190 361 F HN -0.367 nan 8.300 nan 0.000 0.448 362 K N 2.004 122.516 120.400 0.186 0.000 2.185 362 K HA 0.448 4.768 4.320 0.000 0.000 0.269 362 K C -0.831 175.831 176.600 0.103 0.000 0.987 362 K CA -0.954 55.384 56.287 0.085 0.000 0.865 362 K CB 1.613 34.176 32.500 0.104 0.000 1.090 362 K HN 0.492 nan 8.250 nan 0.000 0.450 363 Q N 2.205 121.963 119.800 -0.070 0.000 2.290 363 Q HA 0.327 4.667 4.340 0.000 0.000 0.259 363 Q C -1.609 174.278 176.000 -0.188 0.000 0.941 363 Q CA -0.185 55.613 55.803 -0.009 0.000 0.912 363 Q CB 0.807 29.551 28.738 0.009 0.000 1.244 363 Q HN 0.362 nan 8.270 nan 0.000 0.441 364 Y N -0.111 120.219 120.300 0.050 0.000 2.562 364 Y HA 0.669 5.219 4.550 0.000 0.000 0.343 364 Y C -0.170 175.730 175.900 -0.000 0.000 1.025 364 Y CA -0.951 57.165 58.100 0.026 0.000 1.082 364 Y CB 2.513 40.984 38.460 0.019 0.000 1.264 364 Y HN 0.439 nan 8.280 nan 0.000 0.478 365 S N 2.323 118.092 115.700 0.116 0.000 2.647 365 S HA 0.678 5.148 4.470 0.000 0.000 0.300 365 S C -1.261 173.303 174.600 -0.061 0.000 1.129 365 S CA -0.738 57.456 58.200 -0.010 0.000 1.029 365 S CB 0.214 63.349 63.200 -0.109 0.000 1.007 365 S HN 0.507 nan 8.310 nan 0.000 0.484 366 R N 2.815 123.300 120.500 -0.026 0.000 2.686 366 R HA 0.433 4.773 4.340 0.000 0.000 0.283 366 R C -0.991 175.337 176.300 0.047 0.000 0.978 366 R CA -0.645 55.446 56.100 -0.015 0.000 0.897 366 R CB 1.438 31.739 30.300 0.001 0.000 1.192 366 R HN 0.845 nan 8.270 nan 0.000 0.457 367 H N 0.914 119.938 119.070 -0.076 0.000 2.637 367 H HA 0.582 5.138 4.556 0.000 0.000 0.363 367 H C -1.005 174.318 175.328 -0.008 0.000 1.131 367 H CA -0.849 55.173 56.048 -0.043 0.000 1.183 367 H CB 2.005 31.736 29.762 -0.051 0.000 1.637 367 H HN 0.181 nan 8.280 nan 0.000 0.531 368 V N 3.024 122.711 119.914 -0.378 0.000 2.881 368 V HA 0.272 4.392 4.120 0.000 0.000 0.316 368 V C -0.520 175.285 176.094 -0.482 0.000 1.070 368 V CA -0.680 61.434 62.300 -0.311 0.000 0.976 368 V CB 1.818 33.575 31.823 -0.109 0.000 1.038 368 V HN 0.741 nan 8.190 nan 0.000 0.446 369 E N 1.659 121.753 120.200 -0.177 0.000 2.281 369 E HA 0.405 4.755 4.350 0.000 0.000 0.266 369 E C -1.180 175.482 176.600 0.103 0.000 0.893 369 E CA -0.320 56.060 56.400 -0.034 0.000 0.798 369 E CB 1.644 31.428 29.700 0.140 0.000 1.245 369 E HN 0.743 nan 8.360 nan 0.000 0.410 370 E N 3.993 124.179 120.200 -0.024 0.000 2.191 370 E HA 0.371 4.721 4.350 0.000 0.000 0.263 370 E C -1.211 175.292 176.600 -0.161 0.000 0.881 370 E CA -0.522 55.875 56.400 -0.006 0.000 0.757 370 E CB 0.754 30.425 29.700 -0.048 0.000 1.147 370 E HN 0.422 nan 8.360 nan 0.000 0.414 371 Y N 1.570 121.807 120.300 -0.105 0.000 2.686 371 Y HA 0.474 5.024 4.550 0.000 0.000 0.330 371 Y C -0.256 175.495 175.900 -0.249 0.000 1.082 371 Y CA -0.763 57.209 58.100 -0.213 0.000 1.158 371 Y CB 1.823 40.099 38.460 -0.307 0.000 1.333 371 Y HN 0.437 nan 8.280 nan 0.000 0.519 372 D N 1.077 121.399 120.400 -0.130 0.000 2.400 372 D HA 0.195 4.835 4.640 0.000 0.000 0.197 372 D C -2.064 174.059 176.300 -0.294 0.000 1.295 372 D CA -0.154 53.729 54.000 -0.196 0.000 0.878 372 D CB 0.756 41.474 40.800 -0.137 0.000 1.659 372 D HN 0.518 nan 8.370 nan 0.000 0.546 373 L N 2.405 123.398 121.223 -0.382 0.000 2.325 373 L HA 0.522 4.862 4.340 0.000 0.000 0.279 373 L C 0.173 176.705 176.870 -0.563 0.000 1.054 373 L CA -0.564 53.956 54.840 -0.533 0.000 0.804 373 L CB 1.725 43.495 42.059 -0.483 0.000 1.200 373 L HN 0.287 nan 8.230 nan 0.000 0.436 374 Q N 2.832 122.103 119.800 -0.881 0.000 2.305 374 Q HA 0.634 4.974 4.340 0.000 0.000 0.271 374 Q C -1.649 173.669 176.000 -1.137 0.000 1.046 374 Q CA -0.508 54.841 55.803 -0.757 0.000 0.798 374 Q CB 2.839 31.322 28.738 -0.425 0.000 1.286 374 Q HN 0.360 nan 8.270 nan 0.000 0.435 375 F N 1.029 120.564 119.950 -0.692 0.000 2.650 375 F HA 0.613 5.140 4.527 0.000 0.000 0.320 375 F C -0.477 174.766 175.800 -0.927 0.000 1.091 375 F CA -1.106 56.397 58.000 -0.828 0.000 0.962 375 F CB 1.441 39.755 39.000 -1.143 0.000 1.363 375 F HN 0.271 nan 8.300 nan 0.000 0.482 376 I N 2.337 122.509 120.570 -0.664 0.000 2.468 376 I HA 0.317 4.487 4.170 0.000 0.000 0.284 376 I C -1.091 174.701 176.117 -0.541 0.000 1.038 376 I CA -0.756 60.213 61.300 -0.552 0.000 1.083 376 I CB 0.973 38.648 38.000 -0.542 0.000 1.223 376 I HN 0.416 nan 8.210 nan 0.000 0.443 377 F N 3.926 123.745 119.950 -0.219 0.000 2.440 377 F HA 0.526 5.053 4.527 0.000 0.000 0.328 377 F C 0.622 176.475 175.800 0.088 0.000 1.070 377 F CA -0.596 57.324 58.000 -0.135 0.000 1.011 377 F CB 1.517 40.273 39.000 -0.407 0.000 1.226 377 F HN 0.374 nan 8.300 nan 0.000 0.491 378 Q N 2.276 122.288 119.800 0.355 0.000 2.340 378 Q HA 0.478 4.818 4.340 0.000 0.000 0.268 378 Q C -1.645 174.519 176.000 0.272 0.000 1.031 378 Q CA -1.147 54.740 55.803 0.140 0.000 0.804 378 Q CB 2.079 30.797 28.738 -0.035 0.000 1.286 378 Q HN 0.690 nan 8.270 nan 0.000 0.448 379 L N 3.648 124.990 121.223 0.198 0.000 2.367 379 L HA 0.379 4.719 4.340 0.000 0.000 0.275 379 L C -1.329 175.463 176.870 -0.129 0.000 1.129 379 L CA 0.350 55.199 54.840 0.014 0.000 0.839 379 L CB 0.725 42.764 42.059 -0.034 0.000 1.133 379 L HN 0.825 nan 8.230 nan 0.000 0.453 380 C N 2.097 121.270 119.300 -0.212 0.000 2.889 380 C HA 0.843 5.303 4.460 0.000 0.000 0.307 380 C C 0.058 174.910 174.990 -0.230 0.000 1.251 380 C CA -0.554 58.355 59.018 -0.182 0.000 1.593 380 C CB 1.972 29.625 27.740 -0.144 0.000 2.104 380 C HN 0.896 nan 8.230 nan 0.000 0.476 381 T N -0.699 113.762 114.554 -0.155 0.000 2.887 381 T HA 0.824 5.174 4.350 0.000 0.000 0.288 381 T C -1.005 173.665 174.700 -0.049 0.000 1.021 381 T CA -0.459 61.557 62.100 -0.140 0.000 1.000 381 T CB 1.006 69.826 68.868 -0.080 0.000 1.034 381 T HN 0.463 nan 8.240 nan 0.000 0.467 382 I N 2.230 122.775 120.570 -0.041 0.000 2.466 382 I HA 0.239 4.409 4.170 0.000 0.000 0.279 382 I C 0.105 176.246 176.117 0.041 0.000 1.033 382 I CA -0.588 60.755 61.300 0.072 0.000 1.123 382 I CB 1.904 40.015 38.000 0.185 0.000 1.237 382 I HN 0.718 nan 8.210 nan 0.000 0.460 383 T N 7.183 121.776 114.554 0.064 0.000 2.761 383 T HA 0.241 4.591 4.350 0.000 0.000 0.287 383 T C 0.425 175.159 174.700 0.057 0.000 0.931 383 T CA -0.104 62.023 62.100 0.044 0.000 1.164 383 T CB -0.099 68.794 68.868 0.042 0.000 0.876 383 T HN 0.289 nan 8.240 nan 0.000 0.534 384 L N 5.383 126.630 121.223 0.041 0.000 2.454 384 L HA 0.211 4.551 4.340 0.000 0.000 0.284 384 L C 1.417 178.313 176.870 0.042 0.000 1.139 384 L CA -0.409 54.468 54.840 0.061 0.000 0.911 384 L CB -0.483 41.614 42.059 0.065 0.000 1.262 384 L HN 0.748 nan 8.230 nan 0.000 0.453 385 T N -0.680 113.898 114.554 0.041 0.000 2.870 385 T HA 0.636 4.986 4.350 0.000 0.000 0.277 385 T C 1.142 175.857 174.700 0.025 0.000 1.000 385 T CA -0.096 62.020 62.100 0.027 0.000 0.982 385 T CB 1.763 70.644 68.868 0.022 0.000 1.249 385 T HN 0.369 nan 8.240 nan 0.000 0.589 386 A N 1.609 124.439 122.820 0.018 0.000 1.862 386 A HA -0.167 4.153 4.320 0.000 0.000 0.214 386 A C 1.901 179.495 177.584 0.016 0.000 1.228 386 A CA 2.558 54.604 52.037 0.015 0.000 0.665 386 A CB -1.828 17.178 19.000 0.011 0.000 0.845 386 A HN 1.040 nan 8.150 nan 0.000 0.459 387 D N -0.196 120.212 120.400 0.014 0.000 2.149 387 D HA -0.165 4.475 4.640 0.000 0.000 0.194 387 D C 1.536 177.847 176.300 0.018 0.000 1.001 387 D CA 1.620 55.631 54.000 0.018 0.000 0.849 387 D CB -1.067 39.740 40.800 0.012 0.000 0.939 387 D HN 0.190 nan 8.370 nan 0.000 0.449 388 V N 0.238 120.149 119.914 -0.005 0.000 2.282 388 V HA -0.320 3.800 4.120 0.000 0.000 0.249 388 V C 2.629 178.728 176.094 0.008 0.000 1.057 388 V CA 2.146 64.423 62.300 -0.039 0.000 1.032 388 V CB -0.560 31.260 31.823 -0.004 0.000 0.645 388 V HN 0.243 nan 8.190 nan 0.000 0.447 389 M N 0.455 120.073 119.600 0.030 0.000 2.132 389 M HA -0.143 4.337 4.480 0.000 0.000 0.263 389 M C 2.395 178.691 176.300 -0.007 0.000 1.065 389 M CA 2.074 57.391 55.300 0.028 0.000 1.122 389 M CB -0.357 32.265 32.600 0.036 0.000 1.365 389 M HN 0.593 nan 8.290 nan 0.000 0.411 390 S N -0.706 114.996 115.700 0.004 0.000 2.423 390 S HA -0.184 4.286 4.470 0.000 0.000 0.231 390 S C 1.734 176.321 174.600 -0.023 0.000 1.014 390 S CA 0.847 59.039 58.200 -0.013 0.000 0.965 390 S CB -0.876 62.326 63.200 0.003 0.000 0.785 390 S HN 0.574 nan 8.310 nan 0.000 0.495 391 Y N 2.564 122.793 120.300 -0.119 0.000 2.109 391 Y HA 0.065 4.615 4.550 0.000 0.000 0.285 391 Y C 2.032 177.816 175.900 -0.193 0.000 1.131 391 Y CA 1.359 59.372 58.100 -0.145 0.000 1.121 391 Y CB -0.405 37.923 38.460 -0.221 0.000 0.987 391 Y HN 0.161 nan 8.280 nan 0.000 0.495 392 I N 0.408 120.920 120.570 -0.097 0.000 2.423 392 I HA -0.301 3.869 4.170 0.000 0.000 0.254 392 I C 2.319 178.240 176.117 -0.328 0.000 1.151 392 I CA 1.549 62.683 61.300 -0.277 0.000 1.421 392 I CB -0.523 37.349 38.000 -0.214 0.000 1.079 392 I HN 0.341 nan 8.210 nan 0.000 0.431 393 Q N 1.307 120.976 119.800 -0.219 0.000 2.061 393 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 393 Q C 2.283 178.154 176.000 -0.216 0.000 0.984 393 Q CA 2.476 58.166 55.803 -0.188 0.000 0.846 393 Q CB -0.142 28.527 28.738 -0.116 0.000 0.902 393 Q HN 0.411 nan 8.270 nan 0.000 0.421 394 S N -0.138 115.420 115.700 -0.238 0.000 2.368 394 S HA -0.135 4.335 4.470 0.000 0.000 0.224 394 S C 1.817 176.262 174.600 -0.259 0.000 1.029 394 S CA 1.303 59.377 58.200 -0.211 0.000 0.988 394 S CB -0.385 62.696 63.200 -0.199 0.000 0.838 394 S HN 0.525 nan 8.310 nan 0.000 0.462 395 M N 1.211 120.528 119.600 -0.471 0.000 2.067 395 M HA -0.063 4.417 4.480 0.000 0.000 0.260 395 M C 0.402 176.349 176.300 -0.589 0.000 1.069 395 M CA 1.554 56.395 55.300 -0.765 0.000 1.117 395 M CB 0.063 32.035 32.600 -1.047 0.000 1.334 395 M HN 0.286 nan 8.290 nan 0.000 0.407 396 N N -0.383 118.029 118.700 -0.480 0.000 3.151 396 N HA 0.039 4.779 4.740 0.000 0.000 0.219 396 N C 0.437 175.761 175.510 -0.310 0.000 1.434 396 N CA 0.345 53.184 53.050 -0.352 0.000 0.767 396 N CB 0.703 38.977 38.487 -0.355 0.000 1.564 396 N HN 0.307 nan 8.380 nan 0.000 0.612 397 S N 0.618 116.176 115.700 -0.237 0.000 2.399 397 S HA -0.306 4.164 4.470 0.000 0.000 0.235 397 S C 1.924 176.393 174.600 -0.217 0.000 1.063 397 S CA 2.058 60.134 58.200 -0.207 0.000 1.070 397 S CB -0.657 62.456 63.200 -0.145 0.000 0.904 397 S HN 0.637 nan 8.310 nan 0.000 0.456 398 S N 2.263 117.862 115.700 -0.168 0.000 2.440 398 S HA -0.029 4.442 4.470 0.000 0.000 0.238 398 S C 1.742 176.175 174.600 -0.278 0.000 1.010 398 S CA 1.271 59.401 58.200 -0.116 0.000 0.972 398 S CB -0.969 62.255 63.200 0.039 0.000 0.774 398 S HN 0.659 nan 8.310 nan 0.000 0.501 399 I N 1.163 121.451 120.570 -0.470 0.000 2.202 399 I HA -0.123 4.047 4.170 0.000 0.000 0.242 399 I C 2.411 177.901 176.117 -1.045 0.000 1.091 399 I CA 1.180 61.946 61.300 -0.889 0.000 1.368 399 I CB -0.431 37.004 38.000 -0.941 0.000 1.058 399 I HN 0.274 nan 8.210 nan 0.000 0.410 400 L N 0.365 121.183 121.223 -0.675 0.000 2.141 400 L HA -0.192 4.148 4.340 0.000 0.000 0.209 400 L C 2.507 179.241 176.870 -0.227 0.000 1.094 400 L CA 1.287 55.882 54.840 -0.408 0.000 0.763 400 L CB -0.481 41.462 42.059 -0.193 0.000 0.908 400 L HN 0.269 nan 8.230 nan 0.000 0.437 401 E N 0.151 120.218 120.200 -0.222 0.000 2.038 401 E HA -0.249 4.101 4.350 0.000 0.000 0.195 401 E C 1.745 178.296 176.600 -0.083 0.000 1.000 401 E CA 1.616 57.947 56.400 -0.115 0.000 0.803 401 E CB 0.015 29.656 29.700 -0.099 0.000 0.750 401 E HN 0.443 nan 8.360 nan 0.000 0.448 402 D N -0.291 120.013 120.400 -0.159 0.000 2.149 402 D HA -0.180 4.460 4.640 0.000 0.000 0.198 402 D C 1.394 177.749 176.300 0.091 0.000 0.990 402 D CA 0.771 54.729 54.000 -0.069 0.000 0.839 402 D CB -0.285 40.425 40.800 -0.149 0.000 0.948 402 D HN 0.364 nan 8.370 nan 0.000 0.460 403 W N 1.369 122.641 121.300 -0.046 0.000 2.825 403 W HA 0.075 4.735 4.660 0.000 0.000 0.243 403 W C 0.625 177.133 176.519 -0.018 0.000 1.293 403 W CA -0.126 57.202 57.345 -0.028 0.000 1.403 403 W CB -1.131 28.316 29.460 -0.022 0.000 1.134 403 W HN -0.063 nan 8.180 nan 0.000 0.666 439 K N 0.607 121.001 120.400 -0.009 0.000 2.259 439 K HA 0.446 4.766 4.320 0.000 0.000 0.252 439 K C -1.364 175.214 176.600 -0.037 0.000 0.936 439 K CA -0.548 55.728 56.287 -0.018 0.000 0.810 439 K CB 1.332 33.816 32.500 -0.028 0.000 1.143 439 K HN 0.558 nan 8.250 nan 0.000 0.427 440 D N 2.540 122.920 120.400 -0.034 0.000 2.217 440 D HA 0.296 4.936 4.640 0.000 0.000 0.243 440 D C -1.629 174.587 176.300 -0.140 0.000 1.054 440 D CA -2.145 51.811 54.000 -0.074 0.000 0.838 440 D CB 1.278 42.093 40.800 0.026 0.000 1.162 440 D HN 0.216 nan 8.370 nan 0.000 0.472 441 P HA -0.099 nan 4.420 nan 0.000 0.239 441 P C -0.013 177.092 177.300 -0.326 0.000 1.184 441 P CA 0.936 63.787 63.100 -0.414 0.000 0.760 441 P CB -0.078 31.241 31.700 -0.636 0.000 0.884 442 Y N -1.158 119.188 120.300 0.077 0.000 2.500 442 Y HA 0.179 4.729 4.550 0.000 0.000 0.246 442 Y C 1.533 177.504 175.900 0.119 0.000 1.146 442 Y CA -0.620 57.575 58.100 0.158 0.000 1.230 442 Y CB 0.007 38.691 38.460 0.373 0.000 1.214 442 Y HN -0.146 nan 8.280 nan 0.000 0.526 443 D N 0.764 121.268 120.400 0.173 0.000 2.403 443 D HA -0.099 4.541 4.640 0.000 0.000 0.227 443 D C 1.601 177.925 176.300 0.039 0.000 0.995 443 D CA 0.895 54.959 54.000 0.106 0.000 0.928 443 D CB 0.169 41.007 40.800 0.063 0.000 0.887 443 D HN 0.262 nan 8.370 nan 0.000 0.529 444 K N -0.231 120.183 120.400 0.025 0.000 2.323 444 K HA 0.137 4.457 4.320 0.000 0.000 0.197 444 K C 0.916 177.463 176.600 -0.088 0.000 1.043 444 K CA 0.086 56.359 56.287 -0.022 0.000 0.997 444 K CB 0.635 33.127 32.500 -0.013 0.000 0.807 444 K HN 0.198 nan 8.250 nan 0.000 0.497 445 L N 1.800 122.930 121.223 -0.154 0.000 2.379 445 L HA 0.221 4.561 4.340 0.000 0.000 0.269 445 L C 0.401 176.915 176.870 -0.595 0.000 1.084 445 L CA -0.752 53.849 54.840 -0.399 0.000 0.802 445 L CB 0.543 42.267 42.059 -0.558 0.000 1.175 445 L HN -0.269 nan 8.230 nan 0.000 0.448 446 K N 2.456 122.516 120.400 -0.567 0.000 2.258 446 K HA 0.551 4.871 4.320 0.000 0.000 0.284 446 K C -0.935 175.370 176.600 -0.491 0.000 1.051 446 K CA 0.136 56.186 56.287 -0.395 0.000 0.923 446 K CB 0.994 33.374 32.500 -0.199 0.000 1.046 446 K HN 0.351 nan 8.250 nan 0.000 0.474 447 F N 0.147 120.119 119.950 0.037 0.000 2.675 447 F HA 0.326 4.853 4.527 0.000 0.000 0.324 447 F C -0.349 175.515 175.800 0.105 0.000 1.106 447 F CA -1.230 56.807 58.000 0.062 0.000 0.970 447 F CB 1.625 40.671 39.000 0.076 0.000 1.385 447 F HN 0.381 nan 8.300 nan 0.000 0.489 448 W N 4.116 125.503 121.300 0.144 0.000 2.298 448 W HA 0.337 4.997 4.660 0.000 0.000 0.327 448 W C -0.984 175.614 176.519 0.131 0.000 0.988 448 W CA -1.226 56.168 57.345 0.080 0.000 1.448 448 W CB 0.245 29.689 29.460 -0.027 0.000 1.243 448 W HN 0.383 nan 8.180 nan 0.000 0.388 449 N N 3.860 122.829 118.700 0.448 0.000 2.468 449 N HA 0.082 4.822 4.740 0.000 0.000 0.265 449 N C -0.794 174.888 175.510 0.287 0.000 1.199 449 N CA 0.255 53.469 53.050 0.274 0.000 0.928 449 N CB 1.843 40.440 38.487 0.183 0.000 1.059 449 N HN 0.055 nan 8.380 nan 0.000 0.467 450 V N 2.309 122.305 119.914 0.136 0.000 2.349 450 V HA 0.089 4.209 4.120 0.000 0.000 0.284 450 V C 0.015 176.124 176.094 0.025 0.000 1.014 450 V CA -0.897 61.447 62.300 0.074 0.000 0.826 450 V CB 1.671 33.475 31.823 -0.031 0.000 1.009 450 V HN 0.544 nan 8.190 nan 0.000 0.431 451 D N 4.819 125.247 120.400 0.046 0.000 2.295 451 D HA 0.316 4.956 4.640 0.000 0.000 0.248 451 D C 0.320 176.637 176.300 0.028 0.000 1.154 451 D CA -0.132 53.883 54.000 0.025 0.000 0.857 451 D CB 1.692 42.516 40.800 0.040 0.000 1.117 451 D HN 0.482 nan 8.370 nan 0.000 0.468 452 L N 3.832 125.064 121.223 0.015 0.000 2.910 452 L HA 0.166 4.506 4.340 0.000 0.000 0.252 452 L C 1.951 178.877 176.870 0.093 0.000 1.195 452 L CA -0.230 54.653 54.840 0.072 0.000 1.003 452 L CB 0.294 42.408 42.059 0.092 0.000 1.328 452 L HN 0.192 nan 8.230 nan 0.000 0.540 453 K N 0.622 121.021 120.400 -0.001 0.000 2.211 453 K HA -0.106 4.214 4.320 0.000 0.000 0.204 453 K C 0.704 177.316 176.600 0.020 0.000 1.047 453 K CA 0.928 57.173 56.287 -0.070 0.000 0.935 453 K CB 0.184 32.655 32.500 -0.049 0.000 0.728 453 K HN 0.226 nan 8.250 nan 0.000 0.452 454 E N 0.292 120.546 120.200 0.089 0.000 2.585 454 E HA 0.074 4.424 4.350 0.000 0.000 0.206 454 E C 0.224 176.926 176.600 0.169 0.000 1.007 454 E CA 0.130 56.610 56.400 0.133 0.000 1.028 454 E CB 0.740 30.503 29.700 0.106 0.000 1.087 454 E HN 0.168 nan 8.360 nan 0.000 0.455 455 K N -0.067 120.464 120.400 0.218 0.000 2.517 455 K HA 0.195 4.515 4.320 0.000 0.000 0.210 455 K C 0.177 176.902 176.600 0.209 0.000 1.166 455 K CA -0.310 56.089 56.287 0.187 0.000 1.030 455 K CB 0.702 33.268 32.500 0.109 0.000 0.974 455 K HN -0.053 nan 8.250 nan 0.000 0.585 456 F N 1.956 121.932 119.950 0.043 0.000 2.471 456 F HA 0.196 4.723 4.527 0.000 0.000 0.353 456 F C 0.942 176.909 175.800 0.279 0.000 1.113 456 F CA 0.103 58.172 58.000 0.116 0.000 1.262 456 F CB 1.076 40.073 39.000 -0.005 0.000 1.146 456 F HN -0.232 nan 8.300 nan 0.000 0.578 457 S N 3.058 118.987 115.700 0.382 0.000 2.536 457 S HA 0.481 4.952 4.470 0.000 0.000 0.271 457 S C 0.267 174.911 174.600 0.073 0.000 1.134 457 S CA -0.706 57.642 58.200 0.248 0.000 0.897 457 S CB 1.020 64.299 63.200 0.132 0.000 1.094 457 S HN 0.652 nan 8.310 nan 0.000 0.473 458 L N 1.631 122.817 121.223 -0.061 0.000 2.270 458 L HA 0.152 4.492 4.340 0.000 0.000 0.210 458 L C 0.020 176.852 176.870 -0.065 0.000 1.104 458 L CA 0.609 55.285 54.840 -0.273 0.000 0.804 458 L CB -0.097 41.806 42.059 -0.260 0.000 0.937 458 L HN 0.692 nan 8.230 nan 0.000 0.450 459 D N 0.169 120.594 120.400 0.042 0.000 2.441 459 D HA 0.109 4.749 4.640 0.000 0.000 0.221 459 D C 1.168 177.554 176.300 0.144 0.000 1.156 459 D CA -0.199 53.849 54.000 0.079 0.000 0.896 459 D CB 0.464 41.305 40.800 0.069 0.000 1.028 459 D HN 0.056 nan 8.370 nan 0.000 0.509 460 L N 0.655 121.955 121.223 0.127 0.000 2.012 460 L HA -0.175 4.165 4.340 0.000 0.000 0.210 460 L C 1.961 178.922 176.870 0.151 0.000 1.073 460 L CA 1.265 56.203 54.840 0.162 0.000 0.748 460 L CB -0.501 41.663 42.059 0.175 0.000 0.891 460 L HN 0.342 nan 8.230 nan 0.000 0.431 461 D N 0.169 120.622 120.400 0.089 0.000 2.218 461 D HA -0.239 4.401 4.640 0.000 0.000 0.194 461 D C 2.153 178.443 176.300 -0.016 0.000 1.007 461 D CA 1.367 55.387 54.000 0.034 0.000 0.879 461 D CB 0.003 40.810 40.800 0.011 0.000 0.918 461 D HN 0.296 nan 8.370 nan 0.000 0.449 462 Q N -1.128 118.644 119.800 -0.047 0.000 2.488 462 Q HA -0.062 4.278 4.340 0.000 0.000 0.211 462 Q C -0.136 175.517 176.000 -0.579 0.000 0.967 462 Q CA 0.577 56.199 55.803 -0.301 0.000 0.926 462 Q CB 0.086 28.577 28.738 -0.411 0.000 0.992 462 Q HN 0.471 nan 8.270 nan 0.000 0.506 463 Y N -0.422 119.766 120.300 -0.186 0.000 2.536 463 Y HA 0.215 4.765 4.550 0.000 0.000 0.347 463 Y C -1.509 174.332 175.900 -0.098 0.000 1.000 463 Y CA -2.566 55.387 58.100 -0.245 0.000 1.051 463 Y CB 1.229 39.258 38.460 -0.718 0.000 1.259 463 Y HN -0.187 nan 8.280 nan 0.000 0.468 464 P HA -0.256 nan 4.420 nan 0.000 0.211 464 P C 1.747 179.124 177.300 0.128 0.000 1.181 464 P CA 1.712 64.859 63.100 0.079 0.000 0.929 464 P CB 0.545 32.279 31.700 0.057 0.000 0.789 465 L N -0.575 120.749 121.223 0.168 0.000 2.081 465 L HA -0.141 4.199 4.340 0.000 0.000 0.212 465 L C 2.703 179.747 176.870 0.289 0.000 1.080 465 L CA 2.144 57.096 54.840 0.187 0.000 0.754 465 L CB -1.341 40.776 42.059 0.098 0.000 0.893 465 L HN 0.064 nan 8.230 nan 0.000 0.433 466 G N -0.362 108.619 108.800 0.302 0.000 2.491 466 G HA2 -0.314 3.646 3.960 0.000 0.000 0.218 466 G HA3 -0.314 3.646 3.960 0.000 0.000 0.218 466 G C 1.568 176.604 174.900 0.226 0.000 1.180 466 G CA 0.955 46.217 45.100 0.271 0.000 0.774 466 G HN 0.357 nan 8.290 nan 0.000 0.562 467 R N 0.400 120.989 120.500 0.148 0.000 2.070 467 R HA -0.001 4.339 4.340 0.000 0.000 0.233 467 R C 2.690 179.039 176.300 0.082 0.000 1.137 467 R CA 1.534 57.684 56.100 0.082 0.000 0.945 467 R CB -0.332 29.995 30.300 0.045 0.000 0.845 467 R HN 0.276 nan 8.270 nan 0.000 0.430 468 K N -0.124 120.363 120.400 0.145 0.000 2.113 468 K HA -0.209 4.111 4.320 0.000 0.000 0.208 468 K C 1.907 178.592 176.600 0.141 0.000 1.047 468 K CA 1.594 57.993 56.287 0.187 0.000 0.928 468 K CB -0.296 32.385 32.500 0.302 0.000 0.716 468 K HN 0.091 nan 8.250 nan 0.000 0.446 469 F N 1.717 121.687 119.950 0.033 0.000 2.075 469 F HA -0.157 4.370 4.527 0.000 0.000 0.297 469 F C 1.766 177.332 175.800 -0.390 0.000 1.113 469 F CA 1.314 59.108 58.000 -0.344 0.000 1.218 469 F CB -0.401 38.503 39.000 -0.159 0.000 0.984 469 F HN -0.125 nan 8.300 nan 0.000 0.472 470 L N -0.510 120.518 121.223 -0.325 0.000 2.043 470 L HA -0.267 4.073 4.340 0.000 0.000 0.212 470 L C 2.369 179.014 176.870 -0.374 0.000 1.075 470 L CA 1.255 55.868 54.840 -0.377 0.000 0.752 470 L CB -0.980 41.007 42.059 -0.119 0.000 0.891 470 L HN 0.067 nan 8.230 nan 0.000 0.432 471 V N -0.427 119.331 119.914 -0.259 0.000 2.220 471 V HA -0.343 3.777 4.120 0.000 0.000 0.246 471 V C 2.517 178.432 176.094 -0.298 0.000 1.049 471 V CA 2.155 64.330 62.300 -0.209 0.000 1.003 471 V CB -0.773 30.982 31.823 -0.115 0.000 0.634 471 V HN 0.574 nan 8.190 nan 0.000 0.444 472 Q N 0.436 120.001 119.800 -0.392 0.000 2.173 472 Q HA -0.275 4.065 4.340 0.000 0.000 0.208 472 Q C 2.104 177.777 176.000 -0.544 0.000 0.989 472 Q CA 2.560 58.071 55.803 -0.486 0.000 0.872 472 Q CB -0.329 27.936 28.738 -0.788 0.000 0.909 472 Q HN 0.631 nan 8.270 nan 0.000 0.420 473 A N -0.083 122.311 122.820 -0.710 0.000 2.014 473 A HA 0.293 4.613 4.320 0.000 0.000 0.218 473 A C 1.124 178.488 177.584 -0.367 0.000 1.163 473 A CA 1.516 53.183 52.037 -0.616 0.000 0.652 473 A CB -0.517 17.971 19.000 -0.853 0.000 0.808 473 A HN 0.704 nan 8.150 nan 0.000 0.449 474 G N 0.000 108.607 108.800 -0.322 0.000 5.446 474 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 474 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 474 G CA 0.000 44.977 45.100 -0.205 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925