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 2r5i_1_G 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 LVQAGL 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 0.000 177.633 177.584 0.082 0.000 1.274 20 A CA 0.000 52.060 52.037 0.039 0.000 0.836 20 A CB 0.000 19.019 19.000 0.032 0.000 0.831 21 V N 2.194 122.102 119.914 -0.009 0.000 2.607 21 V HA 0.592 4.712 4.120 -0.000 0.000 0.289 21 V C 0.307 176.300 176.094 -0.169 0.000 1.053 21 V CA -0.413 61.900 62.300 0.022 0.000 0.996 21 V CB 1.503 33.184 31.823 -0.237 0.000 0.995 21 V HN 0.771 nan 8.190 nan 0.000 0.476 22 V N 2.878 122.842 119.914 0.085 0.000 2.815 22 V HA 0.383 4.503 4.120 -0.000 0.000 0.314 22 V C 0.294 176.440 176.094 0.087 0.000 1.064 22 V CA -1.137 61.116 62.300 -0.078 0.000 0.952 22 V CB 1.939 33.685 31.823 -0.130 0.000 1.020 22 V HN 0.858 nan 8.190 nan 0.000 0.439 23 N N 2.029 120.803 118.700 0.123 0.000 2.357 23 N HA -0.057 4.683 4.740 -0.000 0.000 0.257 23 N C 1.521 177.137 175.510 0.176 0.000 1.250 23 N CA 0.871 54.073 53.050 0.253 0.000 0.862 23 N CB 1.517 40.126 38.487 0.203 0.000 1.066 23 N HN 1.025 nan 8.380 nan 0.000 0.468 24 T N -0.177 114.447 114.554 0.116 0.000 2.849 24 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 24 T C 0.921 175.438 174.700 -0.304 0.000 1.066 24 T CA 1.174 63.100 62.100 -0.290 0.000 1.130 24 T CB 0.021 68.801 68.868 -0.146 0.000 0.864 24 T HN 0.435 nan 8.240 nan 0.000 0.481 25 D N 1.696 122.050 120.400 -0.076 0.000 2.221 25 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 25 D C 1.655 177.949 176.300 -0.010 0.000 0.982 25 D CA 1.242 55.219 54.000 -0.037 0.000 0.857 25 D CB -0.392 40.418 40.800 0.018 0.000 0.934 25 D HN 0.456 nan 8.370 nan 0.000 0.475 26 D N -0.290 120.130 120.400 0.033 0.000 2.178 26 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 26 D C 1.454 177.862 176.300 0.180 0.000 0.980 26 D CA 0.821 54.883 54.000 0.103 0.000 0.842 26 D CB -0.121 40.755 40.800 0.127 0.000 0.948 26 D HN 0.556 nan 8.370 nan 0.000 0.472 27 Y N -2.106 118.215 120.300 0.035 0.000 2.682 27 Y HA 0.548 5.098 4.550 -0.001 0.000 0.251 27 Y C -0.566 175.405 175.900 0.118 0.000 1.172 27 Y CA -0.604 57.533 58.100 0.061 0.000 1.186 27 Y CB 0.337 38.821 38.460 0.040 0.000 1.216 27 Y HN -0.347 nan 8.280 nan 0.000 0.540 28 V N 1.808 121.684 119.914 -0.064 0.000 2.488 28 V HA 0.321 4.441 4.120 -0.000 0.000 0.293 28 V C -0.411 175.660 176.094 -0.038 0.000 1.027 28 V CA -0.642 61.626 62.300 -0.053 0.000 0.862 28 V CB 1.629 33.350 31.823 -0.169 0.000 1.008 28 V HN 0.370 nan 8.190 nan 0.000 0.428 29 T N 4.983 119.533 114.554 -0.007 0.000 2.845 29 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 29 T C 0.063 174.743 174.700 -0.032 0.000 0.980 29 T CA -0.604 61.491 62.100 -0.008 0.000 1.071 29 T CB 1.027 69.899 68.868 0.006 0.000 0.941 29 T HN 0.530 nan 8.240 nan 0.000 0.487 30 R N 1.310 121.795 120.500 -0.025 0.000 2.457 30 R HA 0.572 4.912 4.340 -0.000 0.000 0.284 30 R C 1.118 177.384 176.300 -0.057 0.000 1.024 30 R CA -0.709 55.365 56.100 -0.044 0.000 1.025 30 R CB 0.910 31.201 30.300 -0.014 0.000 1.063 30 R HN 0.827 nan 8.270 nan 0.000 0.493 31 T N -2.189 112.302 114.554 -0.106 0.000 2.902 31 T HA 0.220 4.569 4.350 -0.000 0.000 0.287 31 T C 0.728 175.328 174.700 -0.166 0.000 1.048 31 T CA -0.567 61.470 62.100 -0.104 0.000 0.941 31 T CB 1.045 69.850 68.868 -0.105 0.000 1.432 31 T HN 0.511 nan 8.240 nan 0.000 0.586 32 S N -0.199 115.419 115.700 -0.136 0.000 2.624 32 S HA 0.389 4.859 4.470 -0.000 0.000 0.246 32 S C -0.155 174.331 174.600 -0.191 0.000 1.072 32 S CA -0.806 57.317 58.200 -0.129 0.000 1.045 32 S CB -0.445 62.787 63.200 0.052 0.000 0.851 32 S HN 0.571 nan 8.310 nan 0.000 0.480 33 I N 2.248 122.634 120.570 -0.308 0.000 2.339 33 I HA 0.531 4.701 4.170 -0.000 0.000 0.290 33 I C -0.863 175.124 176.117 -0.216 0.000 0.994 33 I CA -0.981 60.255 61.300 -0.105 0.000 1.191 33 I CB 0.507 38.548 38.000 0.069 0.000 1.343 33 I HN 0.208 nan 8.210 nan 0.000 0.458 34 F N 5.717 125.764 119.950 0.162 0.000 2.532 34 F HA 0.545 5.071 4.527 -0.000 0.000 0.321 34 F C -0.408 175.429 175.800 0.062 0.000 1.089 34 F CA -0.660 57.438 58.000 0.165 0.000 0.926 34 F CB 1.839 40.871 39.000 0.053 0.000 1.168 34 F HN 0.225 nan 8.300 nan 0.000 0.459 35 Y N 1.028 121.475 120.300 0.244 0.000 2.524 35 Y HA 0.385 4.935 4.550 -0.001 0.000 0.344 35 Y C -0.127 175.673 175.900 -0.166 0.000 1.012 35 Y CA -1.013 57.128 58.100 0.069 0.000 1.068 35 Y CB 1.383 39.868 38.460 0.041 0.000 1.249 35 Y HN 0.503 nan 8.280 nan 0.000 0.468 36 H N 1.217 120.197 119.070 -0.149 0.000 2.533 36 H HA 0.881 5.437 4.556 -0.000 0.000 0.343 36 H C -1.684 173.313 175.328 -0.550 0.000 1.160 36 H CA -0.717 55.121 56.048 -0.350 0.000 1.218 36 H CB 1.737 31.289 29.762 -0.351 0.000 1.566 36 H HN 0.814 nan 8.280 nan 0.000 0.522 37 A N 2.146 124.297 122.820 -1.115 0.000 2.540 37 A HA 0.594 4.914 4.320 -0.000 0.000 0.297 37 A C -1.040 176.269 177.584 -0.459 0.000 1.056 37 A CA -0.046 51.591 52.037 -0.666 0.000 0.700 37 A CB 1.499 19.957 19.000 -0.903 0.000 1.280 37 A HN 0.907 nan 8.150 nan 0.000 0.398 38 G N 0.802 109.522 108.800 -0.133 0.000 2.739 38 G HA2 0.633 4.593 3.960 -0.000 0.000 0.292 38 G HA3 0.633 4.593 3.960 -0.000 0.000 0.292 38 G C -0.093 174.824 174.900 0.029 0.000 1.444 38 G CA 0.280 45.361 45.100 -0.033 0.000 1.144 38 G HN 1.826 nan 8.290 nan 0.000 0.550 39 S N 1.425 117.137 115.700 0.021 0.000 2.559 39 S HA 0.245 4.715 4.470 -0.000 0.000 0.282 39 S C 1.671 176.280 174.600 0.015 0.000 1.336 39 S CA 0.782 58.985 58.200 0.005 0.000 1.037 39 S CB 0.924 64.081 63.200 -0.071 0.000 0.853 39 S HN 1.319 nan 8.310 nan 0.000 0.523 40 S N 2.915 118.640 115.700 0.041 0.000 2.412 40 S HA 0.062 4.532 4.470 -0.000 0.000 0.199 40 S C 0.859 175.478 174.600 0.031 0.000 1.099 40 S CA 0.410 58.642 58.200 0.053 0.000 1.243 40 S CB -0.472 62.770 63.200 0.071 0.000 0.996 40 S HN 0.980 nan 8.310 nan 0.000 0.402 41 R N 0.531 121.058 120.500 0.046 0.000 2.713 41 R HA 0.407 4.747 4.340 -0.000 0.000 0.282 41 R C -1.478 174.873 176.300 0.086 0.000 1.472 41 R CA -0.373 55.749 56.100 0.038 0.000 1.060 41 R CB 0.341 30.666 30.300 0.043 0.000 1.237 41 R HN 0.409 nan 8.270 nan 0.000 0.484 42 L N 3.971 125.229 121.223 0.059 0.000 2.483 42 L HA 0.345 4.684 4.340 -0.000 0.000 0.276 42 L C -0.281 176.774 176.870 0.308 0.000 1.213 42 L CA -0.192 54.759 54.840 0.186 0.000 0.843 42 L CB 0.385 42.341 42.059 -0.171 0.000 1.107 42 L HN 0.505 nan 8.230 nan 0.000 0.487 43 L N 1.699 123.234 121.223 0.520 0.000 2.653 43 L HA 0.668 5.007 4.340 -0.000 0.000 0.257 43 L C -0.835 176.262 176.870 0.378 0.000 0.969 43 L CA 0.030 55.090 54.840 0.367 0.000 0.869 43 L CB 2.450 44.628 42.059 0.197 0.000 1.439 43 L HN 0.687 nan 8.230 nan 0.000 0.414 44 T N 2.249 116.948 114.554 0.242 0.000 3.486 44 T HA 0.639 4.989 4.350 -0.000 0.000 0.375 44 T C -1.824 172.903 174.700 0.046 0.000 1.459 44 T CA 0.157 62.323 62.100 0.111 0.000 1.151 44 T CB 0.628 69.536 68.868 0.066 0.000 1.336 44 T HN 1.547 nan 8.240 nan 0.000 0.477 45 V N 1.825 121.740 119.914 0.001 0.000 2.962 45 V HA 1.122 5.242 4.120 -0.000 0.000 0.313 45 V C 0.173 176.255 176.094 -0.019 0.000 1.099 45 V CA 0.223 62.511 62.300 -0.021 0.000 0.971 45 V CB 1.390 33.196 31.823 -0.027 0.000 1.028 45 V HN 1.529 nan 8.190 nan 0.000 0.430 46 G N 1.329 110.121 108.800 -0.014 0.000 2.489 46 G HA2 0.400 4.360 3.960 -0.000 0.000 0.305 46 G HA3 0.400 4.360 3.960 -0.000 0.000 0.305 46 G C -2.029 172.849 174.900 -0.038 0.000 1.311 46 G CA -0.134 44.957 45.100 -0.016 0.000 0.813 46 G HN 0.990 nan 8.290 nan 0.000 0.480 47 D N 0.225 120.577 120.400 -0.080 0.000 2.210 47 D HA 0.370 5.010 4.640 -0.000 0.000 0.249 47 D C -1.344 174.830 176.300 -0.210 0.000 1.078 47 D CA -1.920 51.955 54.000 -0.208 0.000 0.875 47 D CB 2.541 43.166 40.800 -0.292 0.000 1.175 47 D HN 0.035 nan 8.370 nan 0.000 0.440 48 P HA -0.067 nan 4.420 nan 0.000 0.229 48 P C 0.807 178.148 177.300 0.068 0.000 1.160 48 P CA 0.920 63.926 63.100 -0.158 0.000 0.777 48 P CB 0.192 31.712 31.700 -0.301 0.000 0.814 49 Y N -0.794 119.348 120.300 -0.263 0.000 2.558 49 Y HA 0.225 4.774 4.550 -0.000 0.000 0.273 49 Y C 0.938 176.806 175.900 -0.053 0.000 1.100 49 Y CA -0.678 57.308 58.100 -0.190 0.000 1.276 49 Y CB 0.458 38.762 38.460 -0.259 0.000 1.196 49 Y HN -0.151 nan 8.280 nan 0.000 0.527 50 F N -0.858 119.209 119.950 0.194 0.000 2.744 50 F HA 0.440 4.966 4.527 -0.000 0.000 0.311 50 F C -0.995 174.853 175.800 0.080 0.000 1.144 50 F CA -2.213 55.859 58.000 0.120 0.000 0.938 50 F CB 0.555 39.617 39.000 0.103 0.000 1.292 50 F HN -0.206 nan 8.300 nan 0.000 0.444 51 R N 0.892 121.584 120.500 0.320 0.000 2.594 51 R HA 0.698 5.038 4.340 -0.000 0.000 0.272 51 R C -1.478 175.003 176.300 0.301 0.000 1.074 51 R CA -0.717 55.511 56.100 0.213 0.000 1.105 51 R CB 1.149 31.526 30.300 0.127 0.000 1.008 51 R HN 0.545 nan 8.270 nan 0.000 0.472 52 V N 4.872 124.913 119.914 0.211 0.000 2.333 52 V HA 0.250 4.369 4.120 -0.000 0.000 0.274 52 V C -1.955 174.212 176.094 0.123 0.000 1.028 52 V CA -2.231 60.197 62.300 0.213 0.000 0.851 52 V CB 1.147 33.080 31.823 0.183 0.000 1.000 52 V HN 0.814 nan 8.190 nan 0.000 0.456 53 P HA 0.120 nan 4.420 nan 0.000 0.266 53 P C -0.010 177.322 177.300 0.053 0.000 1.195 53 P CA 0.122 63.259 63.100 0.060 0.000 0.768 53 P CB 0.480 32.206 31.700 0.042 0.000 0.838 54 A N 3.506 126.349 122.820 0.039 0.000 2.555 54 A HA 0.346 4.666 4.320 -0.000 0.000 0.233 54 A C 1.758 179.360 177.584 0.029 0.000 1.060 54 A CA 0.552 52.607 52.037 0.031 0.000 0.759 54 A CB -1.278 17.734 19.000 0.020 0.000 0.995 54 A HN 0.884 nan 8.150 nan 0.000 0.506 55 G N 1.207 110.023 108.800 0.027 0.000 2.327 55 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.297 55 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.297 55 G C 1.421 176.338 174.900 0.029 0.000 0.994 55 G CA 1.606 46.720 45.100 0.024 0.000 0.735 55 G HN 1.925 nan 8.290 nan 0.000 0.518 56 G N 0.206 109.029 108.800 0.037 0.000 2.672 56 G HA2 0.008 3.968 3.960 -0.000 0.000 0.218 56 G HA3 0.008 3.968 3.960 -0.000 0.000 0.218 56 G C 1.698 176.623 174.900 0.042 0.000 1.238 56 G CA 1.867 46.990 45.100 0.039 0.000 0.791 56 G HN 1.316 nan 8.290 nan 0.000 0.606 57 G N 0.646 109.480 108.800 0.056 0.000 2.564 57 G HA2 0.147 4.107 3.960 -0.000 0.000 0.212 57 G HA3 0.147 4.107 3.960 -0.000 0.000 0.212 57 G C 0.571 175.494 174.900 0.039 0.000 1.199 57 G CA 0.667 45.802 45.100 0.058 0.000 0.832 57 G HN 0.731 nan 8.290 nan 0.000 0.565 58 N N 0.205 118.927 118.700 0.036 0.000 2.480 58 N HA 0.151 4.891 4.740 -0.000 0.000 0.289 58 N C -0.500 175.019 175.510 0.014 0.000 1.073 58 N CA -0.655 52.405 53.050 0.017 0.000 0.885 58 N CB 1.938 40.425 38.487 0.000 0.000 1.421 58 N HN 0.317 nan 8.380 nan 0.000 0.503 59 K N 2.502 122.909 120.400 0.011 0.000 2.508 59 K HA -0.300 4.020 4.320 -0.000 0.000 0.262 59 K C -0.442 176.162 176.600 0.006 0.000 1.016 59 K CA 0.835 57.127 56.287 0.008 0.000 1.122 59 K CB 0.099 32.602 32.500 0.004 0.000 0.778 59 K HN 0.834 nan 8.250 nan 0.000 0.469 60 Q N 1.733 121.538 119.800 0.008 0.000 3.234 60 Q HA -0.153 4.187 4.340 -0.000 0.000 0.026 60 Q C -1.362 174.645 176.000 0.012 0.000 1.709 60 Q CA 1.105 56.911 55.803 0.006 0.000 0.241 60 Q CB -0.025 28.712 28.738 -0.001 0.000 0.585 60 Q HN 0.798 nan 8.270 nan 0.000 0.322 61 D N 2.886 123.293 120.400 0.012 0.000 2.449 61 D HA 0.111 4.751 4.640 -0.000 0.000 0.236 61 D C 0.268 176.578 176.300 0.017 0.000 1.149 61 D CA 0.535 54.547 54.000 0.020 0.000 0.878 61 D CB 0.420 41.228 40.800 0.014 0.000 1.198 61 D HN 0.331 nan 8.370 nan 0.000 0.446 62 I N 3.813 124.403 120.570 0.032 0.000 2.328 62 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 62 I C -2.151 173.981 176.117 0.025 0.000 1.012 62 I CA -2.180 59.133 61.300 0.022 0.000 1.195 62 I CB 1.022 39.041 38.000 0.032 0.000 1.350 62 I HN -0.074 nan 8.210 nan 0.000 0.464 63 P HA 0.110 nan 4.420 nan 0.000 0.272 63 P C -0.292 177.019 177.300 0.018 0.000 1.240 63 P CA -0.560 62.543 63.100 0.006 0.000 0.791 63 P CB 0.824 32.508 31.700 -0.027 0.000 0.978 64 K N 1.560 121.984 120.400 0.039 0.000 2.257 64 K HA 0.247 4.567 4.320 -0.000 0.000 0.270 64 K C -1.190 175.454 176.600 0.073 0.000 1.098 64 K CA -0.372 55.948 56.287 0.056 0.000 0.943 64 K CB -0.114 32.443 32.500 0.096 0.000 1.316 64 K HN 0.179 nan 8.250 nan 0.000 0.447 65 V N 3.509 123.466 119.914 0.072 0.000 2.284 65 V HA 0.104 4.224 4.120 -0.000 0.000 0.260 65 V C 0.205 176.453 176.094 0.256 0.000 1.084 65 V CA -0.329 62.053 62.300 0.137 0.000 0.894 65 V CB 0.692 32.573 31.823 0.096 0.000 1.119 65 V HN 0.659 nan 8.190 nan 0.000 0.484 66 S N 3.582 119.438 115.700 0.260 0.000 2.664 66 S HA 0.740 5.210 4.470 -0.000 0.000 0.304 66 S C 1.115 175.851 174.600 0.228 0.000 1.099 66 S CA 0.128 58.479 58.200 0.252 0.000 1.003 66 S CB 2.108 65.460 63.200 0.253 0.000 1.092 66 S HN 0.747 nan 8.310 nan 0.000 0.525 67 A N 1.728 124.521 122.820 -0.045 0.000 2.169 67 A HA 0.238 4.558 4.320 -0.000 0.000 0.212 67 A C 0.438 177.882 177.584 -0.234 0.000 1.153 67 A CA 0.485 52.454 52.037 -0.114 0.000 0.756 67 A CB -0.510 18.240 19.000 -0.416 0.000 0.813 67 A HN 0.824 nan 8.150 nan 0.000 0.471 68 Y N 1.191 121.572 120.300 0.135 0.000 2.775 68 Y HA 0.225 4.775 4.550 -0.000 0.000 0.349 68 Y C 0.637 176.587 175.900 0.083 0.000 1.094 68 Y CA -0.253 57.918 58.100 0.118 0.000 1.467 68 Y CB -0.146 38.421 38.460 0.177 0.000 1.272 68 Y HN 0.536 nan 8.280 nan 0.000 0.515 69 Q N -1.763 118.138 119.800 0.168 0.000 2.375 69 Q HA 0.371 4.711 4.340 -0.000 0.000 0.271 69 Q C -1.438 174.642 176.000 0.134 0.000 1.074 69 Q CA -1.311 54.595 55.803 0.172 0.000 0.808 69 Q CB 1.331 30.193 28.738 0.207 0.000 1.327 69 Q HN 0.190 nan 8.270 nan 0.000 0.441 70 Y N 1.148 121.522 120.300 0.124 0.000 2.717 70 Y HA 0.043 4.592 4.550 -0.000 0.000 0.330 70 Y C 0.539 176.464 175.900 0.041 0.000 1.217 70 Y CA 0.171 58.328 58.100 0.095 0.000 1.506 70 Y CB 0.535 39.039 38.460 0.072 0.000 1.268 70 Y HN 0.294 nan 8.280 nan 0.000 0.561 71 R N 2.901 123.469 120.500 0.114 0.000 2.229 71 R HA 0.441 4.781 4.340 -0.000 0.000 0.328 71 R C -1.384 174.760 176.300 -0.260 0.000 1.009 71 R CA -0.663 55.335 56.100 -0.170 0.000 0.864 71 R CB 1.161 31.219 30.300 -0.404 0.000 1.085 71 R HN 0.406 nan 8.270 nan 0.000 0.453 72 V N 5.483 125.233 119.914 -0.274 0.000 2.376 72 V HA 0.382 4.502 4.120 -0.000 0.000 0.287 72 V C -0.466 175.462 176.094 -0.277 0.000 1.015 72 V CA -0.778 61.458 62.300 -0.107 0.000 0.834 72 V CB 0.962 32.897 31.823 0.187 0.000 1.001 72 V HN 0.469 nan 8.190 nan 0.000 0.428 73 F N 3.212 123.144 119.950 -0.030 0.000 2.404 73 F HA 0.581 5.108 4.527 -0.000 0.000 0.345 73 F C 0.687 176.357 175.800 -0.218 0.000 1.110 73 F CA -0.565 57.371 58.000 -0.107 0.000 1.130 73 F CB 1.062 39.928 39.000 -0.222 0.000 1.129 73 F HN 0.313 nan 8.300 nan 0.000 0.500 74 R N 2.695 123.118 120.500 -0.128 0.000 2.215 74 R HA 0.557 4.896 4.340 -0.000 0.000 0.336 74 R C -1.607 174.527 176.300 -0.276 0.000 0.996 74 R CA -0.428 55.361 56.100 -0.519 0.000 0.847 74 R CB 0.883 30.888 30.300 -0.492 0.000 1.127 74 R HN 0.575 nan 8.270 nan 0.000 0.465 75 V N 4.858 124.571 119.914 -0.334 0.000 2.348 75 V HA 0.120 4.240 4.120 -0.000 0.000 0.270 75 V C -0.063 175.878 176.094 -0.255 0.000 1.037 75 V CA -0.563 61.601 62.300 -0.228 0.000 0.872 75 V CB 1.293 32.962 31.823 -0.256 0.000 1.002 75 V HN 0.665 nan 8.190 nan 0.000 0.464 76 Q N 4.836 124.531 119.800 -0.175 0.000 2.337 76 Q HA 0.464 4.804 4.340 -0.000 0.000 0.255 76 Q C -0.791 175.087 176.000 -0.204 0.000 0.997 76 Q CA 0.202 55.910 55.803 -0.157 0.000 0.925 76 Q CB 0.760 29.445 28.738 -0.088 0.000 1.212 76 Q HN 0.681 nan 8.270 nan 0.000 0.436 77 L N 6.238 127.299 121.223 -0.271 0.000 2.379 77 L HA 0.616 4.955 4.340 -0.000 0.000 0.269 77 L C -1.848 174.753 176.870 -0.449 0.000 1.084 77 L CA -2.224 52.341 54.840 -0.458 0.000 0.802 77 L CB 1.124 42.836 42.059 -0.579 0.000 1.175 77 L HN 0.567 nan 8.230 nan 0.000 0.448 78 P HA -0.030 nan 4.420 nan 0.000 0.272 78 P C -1.110 175.967 177.300 -0.371 0.000 1.223 78 P CA -0.347 62.404 63.100 -0.581 0.000 0.784 78 P CB 0.976 32.074 31.700 -1.004 0.000 0.923 79 D N 3.192 123.450 120.400 -0.237 0.000 2.338 79 D HA 0.051 4.690 4.640 -0.000 0.000 0.255 79 D C -1.076 175.092 176.300 -0.219 0.000 1.237 79 D CA -2.205 51.702 54.000 -0.155 0.000 0.883 79 D CB 0.680 41.450 40.800 -0.050 0.000 1.087 79 D HN 0.219 nan 8.370 nan 0.000 0.485 80 P HA -0.123 nan 4.420 nan 0.000 0.223 80 P C 0.645 177.782 177.300 -0.272 0.000 1.151 80 P CA 0.684 63.454 63.100 -0.550 0.000 0.787 80 P CB 0.659 31.621 31.700 -1.230 0.000 0.788 81 N N 1.344 119.924 118.700 -0.200 0.000 2.124 81 N HA -0.046 4.693 4.740 -0.000 0.000 0.188 81 N C 1.228 176.749 175.510 0.018 0.000 1.045 81 N CA 0.990 53.978 53.050 -0.103 0.000 0.846 81 N CB -0.551 37.878 38.487 -0.097 0.000 1.020 81 N HN 0.258 nan 8.380 nan 0.000 0.432 82 K N 0.457 120.877 120.400 0.034 0.000 2.773 82 K HA 0.036 4.356 4.320 -0.000 0.000 0.222 82 K C -0.360 176.321 176.600 0.135 0.000 0.985 82 K CA 0.017 56.343 56.287 0.064 0.000 1.126 82 K CB -0.392 32.139 32.500 0.051 0.000 0.919 82 K HN 0.059 nan 8.250 nan 0.000 0.487 83 F N 0.210 120.113 119.950 -0.077 0.000 2.507 83 F HA 0.458 4.985 4.527 0.000 0.000 0.327 83 F C 0.539 176.320 175.800 -0.032 0.000 1.068 83 F CA -1.744 56.212 58.000 -0.073 0.000 0.965 83 F CB 1.290 40.208 39.000 -0.137 0.000 1.192 83 F HN -0.030 nan 8.300 nan 0.000 0.476 84 G N 6.310 114.691 108.800 -0.698 0.000 2.439 84 G HA2 0.404 4.364 3.960 -0.000 0.000 0.298 84 G HA3 0.404 4.364 3.960 -0.000 0.000 0.298 84 G C -0.472 174.030 174.900 -0.664 0.000 1.044 84 G CA -0.422 44.327 45.100 -0.584 0.000 1.168 84 G HN 0.631 nan 8.290 nan 0.000 0.433 85 L N 3.694 124.756 121.223 -0.267 0.000 2.466 85 L HA 0.265 4.604 4.340 -0.000 0.000 0.257 85 L C -0.471 176.394 176.870 -0.008 0.000 1.189 85 L CA -1.708 53.095 54.840 -0.062 0.000 0.813 85 L CB 0.870 42.942 42.059 0.021 0.000 1.118 85 L HN 0.335 nan 8.230 nan 0.000 0.471 86 P HA -0.081 nan 4.420 nan 0.000 0.226 86 P C -0.376 176.944 177.300 0.034 0.000 1.153 86 P CA 1.071 64.203 63.100 0.054 0.000 0.777 86 P CB 0.143 31.884 31.700 0.068 0.000 0.794 87 D N -1.523 118.900 120.400 0.039 0.000 2.266 87 D HA 0.055 4.695 4.640 -0.000 0.000 0.218 87 D C -0.574 175.758 176.300 0.052 0.000 1.311 87 D CA -0.192 53.830 54.000 0.036 0.000 0.918 87 D CB -0.259 40.564 40.800 0.038 0.000 1.530 87 D HN -0.323 nan 8.370 nan 0.000 0.514 88 T N 1.040 115.622 114.554 0.047 0.000 3.667 88 T HA 0.211 4.560 4.350 -0.000 0.000 0.240 88 T C 0.731 175.475 174.700 0.074 0.000 0.919 88 T CA 0.212 62.364 62.100 0.086 0.000 0.928 88 T CB -0.456 68.446 68.868 0.056 0.000 1.151 88 T HN 0.349 nan 8.240 nan 0.000 0.644 89 S N 0.128 115.871 115.700 0.072 0.000 2.665 89 S HA 0.316 4.786 4.470 -0.000 0.000 0.235 89 S C 0.658 175.302 174.600 0.073 0.000 1.084 89 S CA -0.674 57.553 58.200 0.044 0.000 1.151 89 S CB -0.139 63.068 63.200 0.013 0.000 1.151 89 S HN 0.256 nan 8.310 nan 0.000 0.461 90 I N 0.854 121.511 120.570 0.146 0.000 4.035 90 I HA 0.318 4.488 4.170 -0.000 0.000 0.321 90 I C 0.484 176.719 176.117 0.197 0.000 1.289 90 I CA 0.011 61.383 61.300 0.119 0.000 1.236 90 I CB -1.128 36.907 38.000 0.059 0.000 1.076 90 I HN 0.749 nan 8.210 nan 0.000 0.418 91 Y N 0.027 120.293 120.300 -0.055 0.000 2.638 91 Y HA 0.572 5.122 4.550 -0.000 0.000 0.335 91 Y C -0.716 175.147 175.900 -0.062 0.000 1.155 91 Y CA -1.664 56.396 58.100 -0.066 0.000 1.046 91 Y CB 1.019 39.421 38.460 -0.096 0.000 1.303 91 Y HN -0.035 nan 8.280 nan 0.000 0.460 92 N N 3.897 122.419 118.700 -0.296 0.000 2.462 92 N HA 0.351 5.091 4.740 -0.000 0.000 0.242 92 N C -2.266 172.902 175.510 -0.569 0.000 1.010 92 N CA -2.654 50.155 53.050 -0.402 0.000 0.939 92 N CB 1.352 39.726 38.487 -0.188 0.000 1.127 92 N HN 0.443 nan 8.380 nan 0.000 0.509 93 P HA -0.087 nan 4.420 nan 0.000 0.261 93 P C -0.146 177.006 177.300 -0.246 0.000 1.288 93 P CA 0.849 63.611 63.100 -0.564 0.000 0.751 93 P CB 0.395 31.817 31.700 -0.464 0.000 1.103 94 E N -0.851 119.223 120.200 -0.209 0.000 2.306 94 E HA 0.002 4.352 4.350 -0.000 0.000 0.201 94 E C 1.813 178.362 176.600 -0.085 0.000 0.874 94 E CA 1.447 57.776 56.400 -0.119 0.000 0.972 94 E CB -0.298 29.342 29.700 -0.100 0.000 0.957 94 E HN 0.345 nan 8.360 nan 0.000 0.492 95 T N -1.319 113.180 114.554 -0.091 0.000 2.990 95 T HA 0.116 4.466 4.350 -0.000 0.000 0.250 95 T C 0.787 175.465 174.700 -0.037 0.000 1.041 95 T CA -0.209 61.861 62.100 -0.050 0.000 1.010 95 T CB 0.326 69.173 68.868 -0.035 0.000 1.003 95 T HN 0.006 nan 8.240 nan 0.000 0.499 96 Q N 0.129 119.900 119.800 -0.048 0.000 2.399 96 Q HA 0.754 5.093 4.340 -0.000 0.000 0.276 96 Q C -1.004 174.986 176.000 -0.017 0.000 1.098 96 Q CA -1.385 54.414 55.803 -0.007 0.000 0.827 96 Q CB 1.958 30.745 28.738 0.082 0.000 1.386 96 Q HN -0.057 nan 8.270 nan 0.000 0.443 97 R N 0.460 120.823 120.500 -0.228 0.000 2.912 97 R HA 0.621 4.961 4.340 -0.000 0.000 0.262 97 R C -0.875 175.148 176.300 -0.462 0.000 1.057 97 R CA -0.949 54.870 56.100 -0.468 0.000 0.981 97 R CB 1.459 30.963 30.300 -1.327 0.000 1.201 97 R HN 0.637 nan 8.270 nan 0.000 0.484 98 L N 1.036 121.915 121.223 -0.573 0.000 2.325 98 L HA 0.622 4.961 4.340 -0.000 0.000 0.278 98 L C -0.447 176.199 176.870 -0.374 0.000 1.023 98 L CA -1.018 53.494 54.840 -0.546 0.000 0.811 98 L CB 1.910 43.530 42.059 -0.733 0.000 1.249 98 L HN 0.144 nan 8.230 nan 0.000 0.431 99 V N 0.099 119.816 119.914 -0.328 0.000 2.876 99 V HA 0.369 4.488 4.120 -0.000 0.000 0.312 99 V C -1.078 174.828 176.094 -0.313 0.000 1.085 99 V CA -0.870 61.294 62.300 -0.227 0.000 0.945 99 V CB 2.008 33.761 31.823 -0.117 0.000 1.017 99 V HN 0.645 nan 8.190 nan 0.000 0.428 100 W N 1.904 123.090 121.300 -0.191 0.000 2.322 100 W HA 0.677 5.337 4.660 -0.000 0.000 0.307 100 W C 0.292 176.731 176.519 -0.134 0.000 1.220 100 W CA -0.331 56.898 57.345 -0.193 0.000 1.210 100 W CB 1.410 30.650 29.460 -0.367 0.000 1.223 100 W HN 0.725 nan 8.180 nan 0.000 0.511 101 A N 3.745 126.737 122.820 0.286 0.000 2.304 101 A HA 0.460 4.780 4.320 -0.000 0.000 0.323 101 A C -0.715 177.064 177.584 0.325 0.000 1.195 101 A CA -0.649 51.476 52.037 0.147 0.000 0.826 101 A CB 0.659 19.686 19.000 0.045 0.000 1.184 101 A HN 0.757 nan 8.150 nan 0.000 0.496 102 C N 2.324 121.746 119.300 0.203 0.000 2.637 102 C HA 0.514 4.974 4.460 -0.000 0.000 0.418 102 C C 1.314 176.280 174.990 -0.040 0.000 1.319 102 C CA 0.792 59.849 59.018 0.066 0.000 1.949 102 C CB -0.119 27.606 27.740 -0.024 0.000 2.639 102 C HN 1.083 nan 8.230 nan 0.000 0.594 103 A N 3.586 126.349 122.820 -0.094 0.000 2.653 103 A HA 0.656 4.976 4.320 -0.000 0.000 0.248 103 A C 0.450 178.085 177.584 0.085 0.000 1.211 103 A CA 0.587 52.648 52.037 0.041 0.000 0.991 103 A CB -0.041 19.049 19.000 0.151 0.000 1.252 103 A HN 1.609 nan 8.150 nan 0.000 0.593 104 G N -0.700 108.050 108.800 -0.084 0.000 2.658 104 G HA2 0.527 4.487 3.960 -0.000 0.000 0.301 104 G HA3 0.527 4.487 3.960 -0.000 0.000 0.301 104 G C -1.577 173.119 174.900 -0.341 0.000 1.481 104 G CA -0.155 44.913 45.100 -0.054 0.000 0.931 104 G HN 0.596 nan 8.290 nan 0.000 0.573 105 V N 0.418 120.066 119.914 -0.443 0.000 3.040 105 V HA 0.865 4.984 4.120 -0.000 0.000 0.312 105 V C -0.469 175.352 176.094 -0.455 0.000 1.115 105 V CA -0.852 61.134 62.300 -0.523 0.000 0.998 105 V CB 2.280 33.844 31.823 -0.432 0.000 1.042 105 V HN 0.964 nan 8.190 nan 0.000 0.433 106 E N 1.953 121.850 120.200 -0.506 0.000 2.378 106 E HA 0.420 4.770 4.350 -0.000 0.000 0.282 106 E C -1.904 174.517 176.600 -0.298 0.000 0.910 106 E CA -0.599 55.601 56.400 -0.334 0.000 0.816 106 E CB 1.334 30.801 29.700 -0.388 0.000 1.359 106 E HN 0.581 nan 8.360 nan 0.000 0.397 107 I N 3.892 124.405 120.570 -0.096 0.000 2.329 107 I HA 0.249 4.418 4.170 -0.000 0.000 0.295 107 I C 0.935 176.952 176.117 -0.167 0.000 1.109 107 I CA 0.292 61.482 61.300 -0.183 0.000 1.297 107 I CB 1.117 39.021 38.000 -0.159 0.000 1.433 107 I HN 0.547 nan 8.210 nan 0.000 0.509 108 G N 7.009 115.684 108.800 -0.210 0.000 2.378 108 G HA2 0.348 4.308 3.960 -0.000 0.000 0.255 108 G HA3 0.348 4.308 3.960 -0.000 0.000 0.255 108 G C 0.019 174.780 174.900 -0.230 0.000 1.270 108 G CA -0.560 44.436 45.100 -0.175 0.000 0.876 108 G HN 0.395 nan 8.290 nan 0.000 0.521 109 R N 1.425 121.807 120.500 -0.198 0.000 2.740 109 R HA 0.496 4.836 4.340 -0.000 0.000 0.282 109 R C 0.894 177.077 176.300 -0.195 0.000 0.969 109 R CA -0.277 55.645 56.100 -0.297 0.000 0.918 109 R CB 1.968 32.093 30.300 -0.292 0.000 1.175 109 R HN 0.566 nan 8.270 nan 0.000 0.464 110 G N 1.131 109.799 108.800 -0.221 0.000 2.695 110 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 110 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 110 G C 0.160 175.007 174.900 -0.088 0.000 1.295 110 G CA 0.059 45.081 45.100 -0.130 0.000 0.882 110 G HN 0.330 nan 8.290 nan 0.000 0.570 111 Q N 1.074 120.822 119.800 -0.086 0.000 2.697 111 Q HA 0.229 4.569 4.340 -0.000 0.000 0.196 111 Q C -2.066 173.915 176.000 -0.033 0.000 1.121 111 Q CA -1.080 54.693 55.803 -0.049 0.000 1.151 111 Q CB -0.119 28.593 28.738 -0.044 0.000 1.250 111 Q HN 0.270 nan 8.270 nan 0.000 0.658 112 P HA 0.172 nan 4.420 nan 0.000 0.278 112 P C -0.507 176.799 177.300 0.010 0.000 1.258 112 P CA -0.532 62.566 63.100 -0.003 0.000 0.811 112 P CB 0.621 32.321 31.700 0.001 0.000 1.063 113 L N 0.882 122.113 121.223 0.014 0.000 2.483 113 L HA 0.461 4.800 4.340 -0.000 0.000 0.276 113 L C 1.252 178.141 176.870 0.032 0.000 1.213 113 L CA 1.619 56.475 54.840 0.026 0.000 0.843 113 L CB -0.440 41.634 42.059 0.025 0.000 1.107 113 L HN 0.767 nan 8.230 nan 0.000 0.487 114 G N 1.443 110.268 108.800 0.042 0.000 2.559 114 G HA2 0.605 4.565 3.960 -0.000 0.000 0.291 114 G HA3 0.605 4.565 3.960 -0.000 0.000 0.291 114 G C -1.657 173.275 174.900 0.053 0.000 1.424 114 G CA -0.020 45.108 45.100 0.046 0.000 0.786 114 G HN 0.713 nan 8.290 nan 0.000 0.485 115 V N -2.258 117.688 119.914 0.055 0.000 3.001 115 V HA 1.075 5.194 4.120 -0.000 0.000 0.314 115 V C 0.145 176.275 176.094 0.060 0.000 1.099 115 V CA -0.237 62.102 62.300 0.066 0.000 0.989 115 V CB 1.653 33.518 31.823 0.071 0.000 1.040 115 V HN 2.058 nan 8.190 nan 0.000 0.434 116 G N 1.896 110.742 108.800 0.075 0.000 2.742 116 G HA2 0.616 4.576 3.960 -0.000 0.000 0.296 116 G HA3 0.616 4.576 3.960 -0.000 0.000 0.296 116 G C -1.529 173.404 174.900 0.055 0.000 1.436 116 G CA -0.966 44.172 45.100 0.063 0.000 0.928 116 G HN 0.934 nan 8.290 nan 0.000 0.520 117 L N 0.553 121.791 121.223 0.025 0.000 2.387 117 L HA 0.753 5.093 4.340 -0.000 0.000 0.266 117 L C 0.291 177.115 176.870 -0.077 0.000 1.059 117 L CA -0.820 53.985 54.840 -0.058 0.000 0.801 117 L CB 1.850 43.884 42.059 -0.042 0.000 1.223 117 L HN 0.489 nan 8.230 nan 0.000 0.456 118 S N -0.459 115.044 115.700 -0.328 0.000 2.536 118 S HA 0.859 5.328 4.470 -0.000 0.000 0.287 118 S C -0.193 174.152 174.600 -0.425 0.000 1.101 118 S CA -0.690 57.216 58.200 -0.490 0.000 0.950 118 S CB 2.091 64.883 63.200 -0.681 0.000 1.056 118 S HN 0.882 nan 8.310 nan 0.000 0.481 119 G N 0.555 109.073 108.800 -0.469 0.000 2.725 119 G HA2 0.658 4.618 3.960 -0.000 0.000 0.288 119 G HA3 0.658 4.618 3.960 -0.000 0.000 0.288 119 G C -2.031 172.759 174.900 -0.183 0.000 1.399 119 G CA -0.454 44.493 45.100 -0.255 0.000 0.859 119 G HN 0.656 nan 8.290 nan 0.000 0.479 120 H N 0.136 119.123 119.070 -0.140 0.000 2.856 120 H HA 0.394 4.949 4.556 -0.000 0.000 0.355 120 H C -2.170 173.066 175.328 -0.153 0.000 1.079 120 H CA -1.619 54.371 56.048 -0.096 0.000 1.240 120 H CB 3.091 32.867 29.762 0.024 0.000 1.701 120 H HN 0.152 nan 8.280 nan 0.000 0.527 121 P HA -0.012 nan 4.420 nan 0.000 0.222 121 P C -0.136 176.842 177.300 -0.536 0.000 1.147 121 P CA 1.177 64.000 63.100 -0.462 0.000 0.790 121 P CB 0.056 31.264 31.700 -0.820 0.000 0.780 122 F N -3.247 117.015 119.950 0.519 0.000 2.688 122 F HA 0.260 4.786 4.527 -0.000 0.000 0.376 122 F C 0.303 176.021 175.800 -0.138 0.000 1.428 122 F CA -1.247 56.822 58.000 0.114 0.000 1.156 122 F CB -0.393 38.648 39.000 0.069 0.000 1.141 122 F HN -0.240 nan 8.300 nan 0.000 0.521 123 Y N 2.265 122.491 120.300 -0.124 0.000 2.904 123 Y HA -0.130 4.419 4.550 -0.000 0.000 0.336 123 Y C 0.888 176.657 175.900 -0.219 0.000 1.263 123 Y CA 0.218 58.163 58.100 -0.258 0.000 1.547 123 Y CB 0.385 38.714 38.460 -0.220 0.000 1.272 123 Y HN 0.281 nan 8.280 nan 0.000 0.596 124 N N 6.051 124.398 118.700 -0.589 0.000 2.968 124 N HA 0.059 4.799 4.740 -0.000 0.000 0.271 124 N C -1.307 174.029 175.510 -0.289 0.000 1.174 124 N CA -0.162 52.673 53.050 -0.359 0.000 1.096 124 N CB -0.192 38.096 38.487 -0.331 0.000 1.403 124 N HN 0.554 nan 8.380 nan 0.000 0.522 125 K N 3.651 123.969 120.400 -0.138 0.000 2.367 125 K HA 0.136 4.456 4.320 -0.000 0.000 0.263 125 K C 0.549 177.073 176.600 -0.127 0.000 1.000 125 K CA -0.584 55.605 56.287 -0.162 0.000 0.891 125 K CB 0.989 33.234 32.500 -0.425 0.000 1.117 125 K HN 0.302 nan 8.250 nan 0.000 0.443 126 L N 4.125 125.323 121.223 -0.040 0.000 1.961 126 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 126 L C -0.364 176.516 176.870 0.018 0.000 1.075 126 L CA 2.053 56.888 54.840 -0.009 0.000 0.749 126 L CB 0.026 42.093 42.059 0.012 0.000 0.890 126 L HN 0.876 nan 8.230 nan 0.000 0.433 127 D N -3.095 117.365 120.400 0.100 0.000 2.639 127 D HA 0.202 4.842 4.640 -0.000 0.000 0.271 127 D C -1.563 174.951 176.300 0.357 0.000 1.254 127 D CA -0.613 53.483 54.000 0.160 0.000 0.810 127 D CB 0.171 41.052 40.800 0.134 0.000 1.351 127 D HN 0.028 nan 8.370 nan 0.000 0.427 128 D N -0.511 120.115 120.400 0.376 0.000 2.348 128 D HA 0.250 4.890 4.640 -0.000 0.000 0.259 128 D C 0.562 177.045 176.300 0.305 0.000 1.296 128 D CA -0.081 54.186 54.000 0.446 0.000 0.931 128 D CB 0.461 41.465 40.800 0.339 0.000 1.067 128 D HN 0.411 nan 8.370 nan 0.000 0.503 129 T N 0.097 114.857 114.554 0.342 0.000 3.244 129 T HA 0.095 4.445 4.350 -0.000 0.000 0.254 129 T C 1.158 175.990 174.700 0.220 0.000 1.024 129 T CA -0.414 61.847 62.100 0.269 0.000 0.920 129 T CB 0.219 69.292 68.868 0.342 0.000 1.042 129 T HN 0.503 nan 8.240 nan 0.000 0.572 130 E N 2.036 122.339 120.200 0.171 0.000 2.042 130 E HA -0.042 4.308 4.350 -0.000 0.000 0.189 130 E C 0.992 177.613 176.600 0.035 0.000 0.974 130 E CA 1.113 57.553 56.400 0.066 0.000 0.806 130 E CB 0.304 29.840 29.700 -0.274 0.000 0.769 130 E HN 0.607 nan 8.360 nan 0.000 0.451 131 S N -0.080 115.635 115.700 0.026 0.000 2.762 131 S HA 0.036 4.506 4.470 -0.000 0.000 0.217 131 S C -0.297 174.317 174.600 0.023 0.000 0.752 131 S CA -0.075 58.128 58.200 0.004 0.000 1.029 131 S CB -0.762 62.410 63.200 -0.046 0.000 1.502 131 S HN 0.258 nan 8.310 nan 0.000 0.510 132 S N 1.447 117.194 115.700 0.078 0.000 2.711 132 S HA -0.107 4.362 4.470 -0.000 0.000 0.320 132 S C 1.022 175.676 174.600 0.090 0.000 1.240 132 S CA 0.203 58.468 58.200 0.107 0.000 1.034 132 S CB -0.178 63.096 63.200 0.124 0.000 0.741 132 S HN 0.508 nan 8.310 nan 0.000 0.496 133 H N 2.703 121.800 119.070 0.046 0.000 2.460 133 H HA -0.015 4.541 4.556 -0.000 0.000 0.297 133 H C 1.136 176.483 175.328 0.032 0.000 1.103 133 H CA 1.794 57.862 56.048 0.034 0.000 1.292 133 H CB -0.123 29.657 29.762 0.031 0.000 1.376 133 H HN 0.881 nan 8.280 nan 0.000 0.531 134 A N -0.915 122.005 122.820 0.165 0.000 5.450 134 A HA 0.603 4.923 4.320 -0.000 0.000 0.198 134 A C -0.500 177.138 177.584 0.090 0.000 0.883 134 A CA 0.044 52.148 52.037 0.111 0.000 0.784 134 A CB -0.428 18.637 19.000 0.107 0.000 2.043 134 A HN 0.312 nan 8.150 nan 0.000 0.994 135 A N -0.464 122.400 122.820 0.072 0.000 2.364 135 A HA 0.574 4.894 4.320 -0.000 0.000 0.258 135 A C 0.726 178.350 177.584 0.067 0.000 1.131 135 A CA 1.072 53.146 52.037 0.062 0.000 0.800 135 A CB -0.612 18.416 19.000 0.046 0.000 1.086 135 A HN 2.140 nan 8.150 nan 0.000 0.508 136 T N -2.184 112.405 114.554 0.059 0.000 2.888 136 T HA 0.626 4.976 4.350 -0.000 0.000 0.288 136 T C 0.187 174.910 174.700 0.039 0.000 1.063 136 T CA -0.043 62.092 62.100 0.058 0.000 1.010 136 T CB 0.579 69.492 68.868 0.075 0.000 1.214 136 T HN 1.401 nan 8.240 nan 0.000 0.533 137 S N 1.069 116.790 115.700 0.034 0.000 2.549 137 S HA 0.022 4.492 4.470 -0.000 0.000 0.278 137 S C 0.277 174.887 174.600 0.015 0.000 1.344 137 S CA -0.554 57.659 58.200 0.021 0.000 1.025 137 S CB -0.549 62.661 63.200 0.018 0.000 0.851 137 S HN 0.845 nan 8.310 nan 0.000 0.530 138 N N 0.348 119.053 118.700 0.009 0.000 2.438 138 N HA 0.114 4.853 4.740 -0.000 0.000 0.267 138 N C -0.138 175.370 175.510 -0.003 0.000 1.222 138 N CA -0.190 52.862 53.050 0.003 0.000 0.930 138 N CB 0.203 38.691 38.487 0.001 0.000 1.083 138 N HN 0.488 nan 8.380 nan 0.000 0.476 139 V N 3.324 123.234 119.914 -0.006 0.000 3.102 139 V HA -0.039 4.081 4.120 -0.000 0.000 0.371 139 V C 1.648 177.732 176.094 -0.016 0.000 1.414 139 V CA 0.463 62.755 62.300 -0.013 0.000 1.565 139 V CB -1.518 30.296 31.823 -0.016 0.000 1.273 139 V HN 0.775 nan 8.190 nan 0.000 0.478 140 S N 0.442 116.133 115.700 -0.014 0.000 2.336 140 S HA -0.067 4.403 4.470 -0.000 0.000 0.216 140 S C 1.470 176.056 174.600 -0.022 0.000 1.032 140 S CA 1.116 59.306 58.200 -0.016 0.000 0.973 140 S CB 0.101 63.294 63.200 -0.013 0.000 0.888 140 S HN 0.678 nan 8.310 nan 0.000 0.455 141 E N -0.585 119.600 120.200 -0.025 0.000 2.267 141 E HA 0.072 4.422 4.350 -0.000 0.000 0.186 141 E C -1.589 174.986 176.600 -0.043 0.000 0.954 141 E CA 0.246 56.627 56.400 -0.033 0.000 1.414 141 E CB 0.866 30.548 29.700 -0.030 0.000 2.698 141 E HN 0.346 nan 8.360 nan 0.000 0.927 142 D N -0.331 120.044 120.400 -0.040 0.000 2.484 142 D HA 0.184 4.824 4.640 -0.000 0.000 0.206 142 D C -0.794 175.488 176.300 -0.029 0.000 1.322 142 D CA -0.110 53.861 54.000 -0.047 0.000 0.913 142 D CB 1.836 42.599 40.800 -0.063 0.000 1.559 142 D HN -0.064 nan 8.370 nan 0.000 0.565 143 V N 3.982 123.880 119.914 -0.026 0.000 3.070 143 V HA 0.273 4.393 4.120 -0.000 0.000 0.355 143 V C 0.821 176.910 176.094 -0.008 0.000 1.400 143 V CA -0.445 61.847 62.300 -0.013 0.000 1.170 143 V CB -0.194 31.619 31.823 -0.017 0.000 1.169 143 V HN 0.345 nan 8.190 nan 0.000 0.554 144 R N 1.150 121.657 120.500 0.011 0.000 2.641 144 R HA 0.456 4.796 4.340 -0.000 0.000 0.269 144 R C -0.772 175.577 176.300 0.081 0.000 1.074 144 R CA 0.081 56.206 56.100 0.041 0.000 1.133 144 R CB 0.551 30.909 30.300 0.096 0.000 1.029 144 R HN 0.270 nan 8.270 nan 0.000 0.488 145 D N 0.273 120.696 120.400 0.038 0.000 2.547 145 D HA 0.085 4.725 4.640 -0.000 0.000 0.231 145 D C -0.976 175.306 176.300 -0.030 0.000 1.099 145 D CA -0.694 53.302 54.000 -0.006 0.000 0.901 145 D CB 1.528 42.282 40.800 -0.076 0.000 1.478 145 D HN 0.342 nan 8.370 nan 0.000 0.471 146 N N 1.416 120.075 118.700 -0.069 0.000 2.406 146 N HA 0.232 4.972 4.740 -0.000 0.000 0.251 146 N C -0.877 174.562 175.510 -0.119 0.000 1.069 146 N CA -0.186 52.804 53.050 -0.099 0.000 0.947 146 N CB 0.591 39.005 38.487 -0.121 0.000 1.111 146 N HN 0.274 nan 8.380 nan 0.000 0.497 147 V N 1.340 121.166 119.914 -0.147 0.000 2.864 147 V HA 0.862 4.982 4.120 -0.000 0.000 0.314 147 V C -0.022 175.947 176.094 -0.208 0.000 1.073 147 V CA -0.734 61.420 62.300 -0.243 0.000 0.956 147 V CB 1.438 32.957 31.823 -0.507 0.000 1.023 147 V HN 0.681 nan 8.190 nan 0.000 0.435 148 S N 2.550 118.149 115.700 -0.168 0.000 2.745 148 S HA 0.958 5.428 4.470 -0.000 0.000 0.306 148 S C -0.668 173.856 174.600 -0.127 0.000 1.137 148 S CA -0.271 57.839 58.200 -0.150 0.000 0.900 148 S CB 1.718 64.853 63.200 -0.108 0.000 1.176 148 S HN 2.425 nan 8.310 nan 0.000 0.520 149 V N 1.281 121.103 119.914 -0.154 0.000 2.915 149 V HA 0.349 4.469 4.120 -0.000 0.000 0.282 149 V C -2.215 173.754 176.094 -0.208 0.000 1.445 149 V CA -0.634 61.597 62.300 -0.115 0.000 0.953 149 V CB 1.929 33.742 31.823 -0.018 0.000 1.140 149 V HN 1.204 nan 8.190 nan 0.000 0.440 150 D N 5.982 126.313 120.400 -0.115 0.000 2.312 150 D HA 0.243 4.883 4.640 -0.000 0.000 0.252 150 D C -0.032 176.240 176.300 -0.046 0.000 1.150 150 D CA -0.018 53.928 54.000 -0.090 0.000 0.870 150 D CB 0.731 41.537 40.800 0.009 0.000 1.153 150 D HN 0.604 nan 8.370 nan 0.000 0.457 151 Y N 0.562 120.806 120.300 -0.094 0.000 2.279 151 Y HA -0.020 4.530 4.550 -0.000 0.000 0.350 151 Y C 1.729 177.605 175.900 -0.040 0.000 1.288 151 Y CA -0.822 57.163 58.100 -0.192 0.000 1.547 151 Y CB 0.729 38.800 38.460 -0.650 0.000 1.381 151 Y HN 0.310 nan 8.280 nan 0.000 0.630 152 K N 1.576 122.058 120.400 0.136 0.000 2.397 152 K HA -0.067 4.252 4.320 -0.000 0.000 0.265 152 K C -0.576 176.161 176.600 0.228 0.000 0.982 152 K CA -0.308 56.047 56.287 0.114 0.000 0.931 152 K CB 0.473 33.003 32.500 0.050 0.000 0.943 152 K HN 0.696 nan 8.250 nan 0.000 0.501 153 Q N 2.521 122.432 119.800 0.186 0.000 2.307 153 Q HA 0.249 4.589 4.340 -0.000 0.000 0.262 153 Q C -1.465 174.635 176.000 0.167 0.000 0.961 153 Q CA -0.519 55.406 55.803 0.203 0.000 0.882 153 Q CB 1.584 30.417 28.738 0.158 0.000 1.264 153 Q HN 0.716 nan 8.270 nan 0.000 0.446 154 T N 3.134 117.795 114.554 0.179 0.000 2.906 154 T HA 0.479 4.829 4.350 -0.000 0.000 0.295 154 T C -1.059 173.721 174.700 0.134 0.000 1.075 154 T CA -0.765 61.427 62.100 0.153 0.000 1.005 154 T CB 1.837 70.812 68.868 0.180 0.000 1.136 154 T HN 0.586 nan 8.240 nan 0.000 0.498 155 Q N 1.489 121.357 119.800 0.114 0.000 2.334 155 Q HA 0.576 4.915 4.340 -0.000 0.000 0.249 155 Q C -1.620 174.441 176.000 0.101 0.000 0.909 155 Q CA -0.703 55.160 55.803 0.100 0.000 0.823 155 Q CB 2.036 30.727 28.738 -0.077 0.000 1.353 155 Q HN 0.661 nan 8.270 nan 0.000 0.433 156 L N -0.788 120.582 121.223 0.245 0.000 2.469 156 L HA 0.993 5.333 4.340 -0.000 0.000 0.256 156 L C -1.394 175.688 176.870 0.353 0.000 1.006 156 L CA -0.802 54.169 54.840 0.219 0.000 0.832 156 L CB 2.255 44.450 42.059 0.226 0.000 1.421 156 L HN 0.641 nan 8.230 nan 0.000 0.410 157 C N 2.635 122.094 119.300 0.264 0.000 2.782 157 C HA 0.860 5.320 4.460 -0.000 0.000 0.328 157 C C -1.139 173.981 174.990 0.216 0.000 1.145 157 C CA -0.383 58.825 59.018 0.317 0.000 1.358 157 C CB 0.665 28.681 27.740 0.460 0.000 1.841 157 C HN 0.871 nan 8.230 nan 0.000 0.477 158 I N 5.427 126.138 120.570 0.235 0.000 2.582 158 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 158 I C -0.822 175.429 176.117 0.223 0.000 1.066 158 I CA -0.663 60.758 61.300 0.201 0.000 1.053 158 I CB 1.809 39.873 38.000 0.108 0.000 1.241 158 I HN 0.505 nan 8.210 nan 0.000 0.421 159 L N 4.360 125.739 121.223 0.260 0.000 2.362 159 L HA 0.917 5.257 4.340 -0.000 0.000 0.271 159 L C 0.103 176.775 176.870 -0.330 0.000 1.002 159 L CA -0.371 54.573 54.840 0.173 0.000 0.818 159 L CB 2.147 44.458 42.059 0.420 0.000 1.298 159 L HN 0.865 nan 8.230 nan 0.000 0.420 160 G N -0.005 108.509 108.800 -0.475 0.000 2.495 160 G HA2 0.335 4.294 3.960 -0.000 0.000 0.294 160 G HA3 0.335 4.294 3.960 -0.000 0.000 0.294 160 G C -0.622 174.121 174.900 -0.263 0.000 1.397 160 G CA -0.301 44.114 45.100 -1.141 0.000 0.790 160 G HN 0.710 nan 8.290 nan 0.000 0.486 161 C N -0.852 118.409 119.300 -0.064 0.000 2.470 161 C HA 0.818 5.277 4.460 -0.000 0.000 0.311 161 C C 0.725 175.902 174.990 0.312 0.000 1.387 161 C CA -0.334 58.866 59.018 0.304 0.000 1.783 161 C CB -1.599 26.376 27.740 0.392 0.000 2.416 161 C HN 1.646 nan 8.230 nan 0.000 0.558 162 A N 1.283 124.134 122.820 0.051 0.000 2.540 162 A HA 0.829 5.149 4.320 -0.000 0.000 0.297 162 A C -2.978 174.017 177.584 -0.983 0.000 1.056 162 A CA -0.886 50.900 52.037 -0.418 0.000 0.700 162 A CB 1.036 19.965 19.000 -0.119 0.000 1.280 162 A HN 0.187 nan 8.150 nan 0.000 0.398 163 P HA 0.328 nan 4.420 nan 0.000 0.270 163 P C 0.131 177.097 177.300 -0.558 0.000 1.227 163 P CA 0.364 62.673 63.100 -1.318 0.000 0.788 163 P CB 0.780 31.684 31.700 -1.327 0.000 0.926 164 A N 1.838 124.448 122.820 -0.350 0.000 2.286 164 A HA 0.520 4.840 4.320 -0.000 0.000 0.286 164 A C 0.009 177.451 177.584 -0.237 0.000 1.097 164 A CA -0.516 51.370 52.037 -0.251 0.000 0.821 164 A CB -0.154 18.726 19.000 -0.200 0.000 1.076 164 A HN 0.410 nan 8.150 nan 0.000 0.490 165 I N 0.809 121.250 120.570 -0.216 0.000 2.392 165 I HA 0.528 4.698 4.170 -0.000 0.000 0.295 165 I C 0.919 176.898 176.117 -0.231 0.000 0.985 165 I CA 0.451 61.634 61.300 -0.195 0.000 1.221 165 I CB 1.626 39.538 38.000 -0.147 0.000 1.366 165 I HN 0.691 nan 8.210 nan 0.000 0.467 166 G N 4.073 112.750 108.800 -0.205 0.000 2.568 166 G HA2 0.758 4.718 3.960 -0.000 0.000 0.313 166 G HA3 0.758 4.718 3.960 -0.000 0.000 0.313 166 G C -1.292 173.557 174.900 -0.085 0.000 1.227 166 G CA -0.470 44.518 45.100 -0.188 0.000 0.979 166 G HN 0.638 nan 8.290 nan 0.000 0.486 167 E N -0.716 119.474 120.200 -0.017 0.000 2.317 167 E HA 0.631 4.981 4.350 -0.000 0.000 0.270 167 E C -1.357 175.286 176.600 0.072 0.000 0.885 167 E CA -0.961 55.418 56.400 -0.034 0.000 0.760 167 E CB 2.238 31.890 29.700 -0.080 0.000 1.227 167 E HN 0.780 nan 8.360 nan 0.000 0.434 168 H N 0.615 119.553 119.070 -0.221 0.000 3.003 168 H HA 0.267 4.823 4.556 -0.000 0.000 0.327 168 H C -1.946 173.158 175.328 -0.374 0.000 1.353 168 H CA -1.145 54.789 56.048 -0.190 0.000 1.142 168 H CB 0.192 29.946 29.762 -0.012 0.000 1.864 168 H HN 0.612 nan 8.280 nan 0.000 0.529 169 W N 1.277 122.556 121.300 -0.034 0.000 2.351 169 W HA 0.702 5.362 4.660 -0.000 0.000 0.311 169 W C 0.036 176.509 176.519 -0.078 0.000 1.168 169 W CA 0.007 57.283 57.345 -0.115 0.000 1.200 169 W CB 1.676 31.098 29.460 -0.062 0.000 1.221 169 W HN 0.841 nan 8.180 nan 0.000 0.519 170 A N 2.768 125.596 122.820 0.014 0.000 2.437 170 A HA 0.624 4.944 4.320 -0.000 0.000 0.292 170 A C -0.920 176.703 177.584 0.065 0.000 1.173 170 A CA -1.158 50.911 52.037 0.052 0.000 0.785 170 A CB 1.324 20.329 19.000 0.009 0.000 1.351 170 A HN 0.540 nan 8.150 nan 0.000 0.431 171 K N 0.957 121.388 120.400 0.051 0.000 2.378 171 K HA 0.307 4.627 4.320 -0.000 0.000 0.288 171 K C 0.578 177.194 176.600 0.027 0.000 1.057 171 K CA 0.258 56.568 56.287 0.038 0.000 0.971 171 K CB -0.001 32.515 32.500 0.028 0.000 0.975 171 K HN 0.861 nan 8.250 nan 0.000 0.475 172 G N 3.185 112.004 108.800 0.032 0.000 2.414 172 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.236 172 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.236 172 G C -0.339 174.569 174.900 0.012 0.000 1.293 172 G CA -0.419 44.695 45.100 0.023 0.000 0.869 172 G HN 0.684 nan 8.290 nan 0.000 0.556 173 T N 1.182 115.740 114.554 0.005 0.000 2.902 173 T HA 0.374 4.724 4.350 -0.000 0.000 0.301 173 T C 0.842 175.545 174.700 0.004 0.000 1.012 173 T CA 0.384 62.485 62.100 0.003 0.000 1.151 173 T CB 1.030 69.897 68.868 -0.001 0.000 0.946 173 T HN 0.863 nan 8.240 nan 0.000 0.542 174 A N 4.081 126.904 122.820 0.003 0.000 2.444 174 A HA 0.463 4.783 4.320 -0.000 0.000 0.273 174 A C 0.982 178.567 177.584 0.001 0.000 1.136 174 A CA -0.799 51.240 52.037 0.003 0.000 0.799 174 A CB -0.269 18.732 19.000 0.002 0.000 1.081 174 A HN 0.963 nan 8.150 nan 0.000 0.509 175 S N 2.412 118.113 115.700 0.002 0.000 2.563 175 S HA 0.096 4.566 4.470 -0.000 0.000 0.284 175 S C 0.897 175.497 174.600 -0.000 0.000 1.331 175 S CA 0.320 58.521 58.200 0.001 0.000 1.047 175 S CB 0.697 63.898 63.200 0.001 0.000 0.859 175 S HN 0.788 nan 8.310 nan 0.000 0.514 176 K N 1.342 121.741 120.400 -0.001 0.000 2.166 176 K HA -0.028 4.292 4.320 -0.000 0.000 0.201 176 K C 2.242 178.841 176.600 -0.001 0.000 1.052 176 K CA 0.960 57.247 56.287 -0.001 0.000 0.969 176 K CB -0.604 31.895 32.500 -0.002 0.000 0.761 176 K HN 0.685 nan 8.250 nan 0.000 0.459 177 S N 0.853 116.553 115.700 -0.001 0.000 2.356 177 S HA -0.097 4.373 4.470 -0.000 0.000 0.223 177 S C 1.370 175.969 174.600 -0.001 0.000 1.032 177 S CA 0.541 58.740 58.200 -0.001 0.000 1.005 177 S CB -0.210 62.989 63.200 -0.001 0.000 0.867 177 S HN 0.133 nan 8.310 nan 0.000 0.449 178 R N 2.807 123.307 120.500 -0.001 0.000 2.402 178 R HA 0.463 4.802 4.340 -0.000 0.000 0.290 178 R C -2.923 173.377 176.300 -0.001 0.000 1.321 178 R CA -2.402 53.698 56.100 -0.001 0.000 1.283 178 R CB 0.801 31.100 30.300 -0.000 0.000 1.111 178 R HN 0.398 nan 8.270 nan 0.000 0.578 179 P HA 0.062 nan 4.420 nan 0.000 0.272 179 P C -0.583 176.716 177.300 -0.002 0.000 1.240 179 P CA -0.615 62.484 63.100 -0.002 0.000 0.791 179 P CB 1.077 32.775 31.700 -0.002 0.000 0.978 180 L N 1.833 123.055 121.223 -0.002 0.000 2.277 180 L HA 0.213 4.553 4.340 -0.000 0.000 0.284 180 L C 0.233 177.101 176.870 -0.004 0.000 1.028 180 L CA -0.229 54.609 54.840 -0.003 0.000 0.835 180 L CB 0.193 42.250 42.059 -0.002 0.000 1.215 180 L HN 0.424 nan 8.230 nan 0.000 0.425 181 S N 2.731 118.428 115.700 -0.005 0.000 2.563 181 S HA 0.089 4.559 4.470 -0.000 0.000 0.294 181 S C 0.200 174.796 174.600 -0.007 0.000 1.279 181 S CA -0.472 57.724 58.200 -0.006 0.000 1.069 181 S CB 0.337 63.533 63.200 -0.006 0.000 0.828 181 S HN 0.641 nan 8.310 nan 0.000 0.497 182 Q N 2.076 121.872 119.800 -0.007 0.000 2.304 182 Q HA 0.385 4.725 4.340 -0.000 0.000 0.301 182 Q C 1.407 177.400 176.000 -0.011 0.000 1.063 182 Q CA 1.809 57.607 55.803 -0.009 0.000 0.947 182 Q CB -0.092 28.641 28.738 -0.009 0.000 1.201 182 Q HN 1.337 nan 8.270 nan 0.000 0.389 183 G N 3.186 111.978 108.800 -0.012 0.000 2.399 183 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 183 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 183 G C -0.326 174.565 174.900 -0.015 0.000 1.096 183 G CA -0.062 45.029 45.100 -0.015 0.000 0.650 183 G HN 0.674 nan 8.290 nan 0.000 0.512 184 D N 0.744 121.137 120.400 -0.013 0.000 2.423 184 D HA 0.402 5.042 4.640 -0.000 0.000 0.238 184 D C 0.896 177.187 176.300 -0.014 0.000 1.142 184 D CA 0.252 54.245 54.000 -0.013 0.000 0.884 184 D CB 1.003 41.797 40.800 -0.010 0.000 1.199 184 D HN 0.542 nan 8.370 nan 0.000 0.438 185 C N 4.383 123.673 119.300 -0.017 0.000 2.648 185 C HA 0.285 4.744 4.460 -0.000 0.000 0.415 185 C C -1.763 173.218 174.990 -0.014 0.000 1.366 185 C CA -1.299 57.707 59.018 -0.020 0.000 1.756 185 C CB -0.790 26.934 27.740 -0.026 0.000 2.549 185 C HN 0.477 nan 8.230 nan 0.000 0.597 186 P HA 0.375 nan 4.420 nan 0.000 0.274 186 P C -2.698 174.602 177.300 -0.000 0.000 1.256 186 P CA -0.927 62.171 63.100 -0.003 0.000 0.795 186 P CB -0.022 31.680 31.700 0.002 0.000 1.038 187 P HA 0.279 nan 4.420 nan 0.000 0.286 187 P C -0.892 176.437 177.300 0.048 0.000 1.261 187 P CA -0.374 62.737 63.100 0.019 0.000 0.821 187 P CB 0.795 32.508 31.700 0.022 0.000 1.013 188 L N 1.788 123.057 121.223 0.077 0.000 2.325 188 L HA 0.463 4.803 4.340 -0.000 0.000 0.279 188 L C 0.720 177.755 176.870 0.275 0.000 1.054 188 L CA -0.158 54.790 54.840 0.181 0.000 0.804 188 L CB 0.450 42.608 42.059 0.164 0.000 1.200 188 L HN 0.582 nan 8.230 nan 0.000 0.436 189 E N 1.725 122.057 120.200 0.220 0.000 2.238 189 E HA 0.349 4.699 4.350 -0.000 0.000 0.267 189 E C -1.423 175.068 176.600 -0.181 0.000 0.887 189 E CA -0.962 55.489 56.400 0.086 0.000 0.769 189 E CB 2.475 32.169 29.700 -0.009 0.000 1.187 189 E HN 0.345 nan 8.360 nan 0.000 0.416 190 L N 4.103 125.047 121.223 -0.464 0.000 2.315 190 L HA 0.304 4.644 4.340 -0.000 0.000 0.283 190 L C -0.760 175.762 176.870 -0.580 0.000 1.089 190 L CA 0.357 54.617 54.840 -0.966 0.000 0.833 190 L CB 0.251 41.703 42.059 -1.013 0.000 1.170 190 L HN 0.403 nan 8.230 nan 0.000 0.442 191 K N 3.940 123.955 120.400 -0.641 0.000 2.182 191 K HA 0.387 4.707 4.320 -0.000 0.000 0.262 191 K C -0.618 175.791 176.600 -0.317 0.000 0.957 191 K CA -0.910 55.117 56.287 -0.433 0.000 0.842 191 K CB 1.155 33.399 32.500 -0.426 0.000 1.099 191 K HN 0.538 nan 8.250 nan 0.000 0.438 192 N N 1.025 119.613 118.700 -0.186 0.000 2.509 192 N HA 0.308 5.048 4.740 -0.000 0.000 0.287 192 N C -0.711 174.759 175.510 -0.067 0.000 1.121 192 N CA 0.105 53.082 53.050 -0.121 0.000 0.977 192 N CB 1.829 40.252 38.487 -0.108 0.000 1.167 192 N HN 0.580 nan 8.380 nan 0.000 0.476 193 T N -0.671 113.852 114.554 -0.052 0.000 2.885 193 T HA 0.334 4.684 4.350 -0.000 0.000 0.322 193 T C -1.289 173.363 174.700 -0.081 0.000 1.387 193 T CA -0.625 61.454 62.100 -0.036 0.000 1.041 193 T CB 0.509 69.392 68.868 0.025 0.000 1.287 193 T HN 0.019 nan 8.240 nan 0.000 0.491 194 V N 4.432 124.299 119.914 -0.079 0.000 2.614 194 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 194 V C 0.495 176.508 176.094 -0.135 0.000 1.049 194 V CA -0.508 61.726 62.300 -0.110 0.000 1.038 194 V CB 0.803 32.582 31.823 -0.075 0.000 0.980 194 V HN 0.743 nan 8.190 nan 0.000 0.481 195 L N 5.881 126.991 121.223 -0.188 0.000 2.407 195 L HA 0.281 4.620 4.340 -0.000 0.000 0.282 195 L C 0.491 177.306 176.870 -0.091 0.000 1.110 195 L CA 0.351 55.031 54.840 -0.267 0.000 0.863 195 L CB -0.238 41.532 42.059 -0.482 0.000 1.207 195 L HN 0.705 nan 8.230 nan 0.000 0.454 196 E N 1.454 121.607 120.200 -0.078 0.000 2.222 196 E HA 0.225 4.574 4.350 -0.000 0.000 0.267 196 E C -0.888 175.747 176.600 0.058 0.000 0.963 196 E CA -1.013 55.392 56.400 0.007 0.000 0.837 196 E CB 1.376 30.976 29.700 -0.166 0.000 1.183 196 E HN 0.429 nan 8.360 nan 0.000 0.403 197 D N -0.064 120.415 120.400 0.131 0.000 2.487 197 D HA 0.174 4.814 4.640 -0.000 0.000 0.243 197 D C 0.807 177.151 176.300 0.073 0.000 1.154 197 D CA 1.732 55.796 54.000 0.106 0.000 0.876 197 D CB 0.171 41.031 40.800 0.099 0.000 1.161 197 D HN 0.597 nan 8.370 nan 0.000 0.478 198 G N 3.310 112.181 108.800 0.119 0.000 2.253 198 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.209 198 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.209 198 G C -0.098 174.892 174.900 0.150 0.000 0.997 198 G CA -0.071 45.098 45.100 0.115 0.000 0.640 198 G HN 0.640 nan 8.290 nan 0.000 0.496 199 D N 2.144 122.642 120.400 0.163 0.000 2.443 199 D HA 0.350 4.990 4.640 -0.000 0.000 0.239 199 D C 1.193 177.709 176.300 0.360 0.000 1.136 199 D CA 0.286 54.400 54.000 0.190 0.000 0.879 199 D CB 0.496 41.340 40.800 0.074 0.000 1.195 199 D HN 0.063 nan 8.370 nan 0.000 0.443 200 M N 1.289 121.052 119.600 0.273 0.000 2.242 200 M HA 0.141 4.620 4.480 -0.000 0.000 0.344 200 M C 0.288 176.794 176.300 0.343 0.000 1.140 200 M CA -0.657 54.798 55.300 0.258 0.000 1.160 200 M CB 0.811 33.513 32.600 0.169 0.000 1.491 200 M HN 0.171 nan 8.290 nan 0.000 0.459 201 V N -0.868 119.159 119.914 0.188 0.000 3.096 201 V HA 0.474 4.594 4.120 -0.000 0.000 0.319 201 V C -0.041 176.152 176.094 0.166 0.000 1.082 201 V CA -1.263 61.135 62.300 0.162 0.000 1.022 201 V CB 1.162 32.936 31.823 -0.082 0.000 1.103 201 V HN 0.805 nan 8.190 nan 0.000 0.455 202 D N 1.601 122.133 120.400 0.221 0.000 2.531 202 D HA 0.066 4.706 4.640 -0.000 0.000 0.239 202 D C 1.220 177.526 176.300 0.010 0.000 1.144 202 D CA 1.055 55.137 54.000 0.137 0.000 0.869 202 D CB 1.163 42.025 40.800 0.103 0.000 1.160 202 D HN 1.000 nan 8.370 nan 0.000 0.484 203 T N 0.699 115.167 114.554 -0.144 0.000 3.069 203 T HA 0.387 4.736 4.350 -0.000 0.000 0.252 203 T C 1.306 175.864 174.700 -0.236 0.000 1.053 203 T CA 0.187 62.039 62.100 -0.412 0.000 0.964 203 T CB 0.178 68.182 68.868 -1.441 0.000 1.005 203 T HN 0.694 nan 8.240 nan 0.000 0.532 204 G N 0.595 109.331 108.800 -0.106 0.000 2.175 204 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.182 204 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.182 204 G C 0.099 174.868 174.900 -0.218 0.000 1.003 204 G CA -0.115 44.895 45.100 -0.149 0.000 0.666 204 G HN 0.533 nan 8.290 nan 0.000 0.506 205 Y N 0.900 121.220 120.300 0.034 0.000 2.612 205 Y HA 0.488 5.038 4.550 -0.000 0.000 0.250 205 Y C 1.414 177.480 175.900 0.277 0.000 1.175 205 Y CA 0.512 58.710 58.100 0.163 0.000 1.205 205 Y CB 1.160 39.735 38.460 0.191 0.000 1.201 205 Y HN 1.109 nan 8.280 nan 0.000 0.532 206 G N 0.684 109.662 108.800 0.296 0.000 2.629 206 G HA2 0.177 4.137 3.960 -0.000 0.000 0.686 206 G HA3 0.177 4.137 3.960 -0.000 0.000 0.686 206 G C -0.918 174.168 174.900 0.310 0.000 1.232 206 G CA -0.728 44.509 45.100 0.229 0.000 0.803 206 G HN 0.467 nan 8.290 nan 0.000 0.638 207 A N 1.436 124.418 122.820 0.271 0.000 2.478 207 A HA 0.819 5.139 4.320 -0.000 0.000 0.327 207 A C 0.517 178.303 177.584 0.336 0.000 1.431 207 A CA 0.896 53.129 52.037 0.327 0.000 1.014 207 A CB -0.479 18.721 19.000 0.333 0.000 1.143 207 A HN 2.082 nan 8.150 nan 0.000 0.532 208 M N 0.167 119.886 119.600 0.199 0.000 3.213 208 M HA 0.575 5.055 4.480 -0.000 0.000 0.278 208 M C -1.665 174.624 176.300 -0.017 0.000 1.332 208 M CA -0.819 54.523 55.300 0.071 0.000 0.810 208 M CB 1.495 33.979 32.600 -0.194 0.000 1.676 208 M HN 0.221 nan 8.290 nan 0.000 0.463 209 D N 0.736 121.149 120.400 0.021 0.000 2.499 209 D HA 0.346 4.985 4.640 -0.000 0.000 0.225 209 D C -0.078 176.209 176.300 -0.021 0.000 1.124 209 D CA -0.344 53.689 54.000 0.055 0.000 0.938 209 D CB -0.110 40.785 40.800 0.157 0.000 1.014 209 D HN 0.535 nan 8.370 nan 0.000 0.517 210 F N 1.186 121.173 119.950 0.061 0.000 2.269 210 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 210 F C 2.747 178.562 175.800 0.026 0.000 1.082 210 F CA 1.086 59.107 58.000 0.034 0.000 1.360 210 F CB -0.477 38.528 39.000 0.009 0.000 1.041 210 F HN 0.362 nan 8.300 nan 0.000 0.512 211 S N -0.743 115.079 115.700 0.203 0.000 2.382 211 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 211 S C 1.994 176.640 174.600 0.077 0.000 1.027 211 S CA 1.656 59.928 58.200 0.121 0.000 0.991 211 S CB -1.201 62.058 63.200 0.099 0.000 0.823 211 S HN 0.489 nan 8.310 nan 0.000 0.469 212 T N -2.039 112.554 114.554 0.064 0.000 3.037 212 T HA 0.335 4.685 4.350 -0.000 0.000 0.251 212 T C 1.346 176.060 174.700 0.023 0.000 1.079 212 T CA -0.050 62.075 62.100 0.042 0.000 1.067 212 T CB -0.079 68.817 68.868 0.046 0.000 0.948 212 T HN 0.230 nan 8.240 nan 0.000 0.496 213 L N 0.545 121.772 121.223 0.006 0.000 2.556 213 L HA 0.474 4.814 4.340 -0.000 0.000 0.226 213 L C 0.510 177.371 176.870 -0.016 0.000 1.089 213 L CA 0.706 55.532 54.840 -0.022 0.000 0.864 213 L CB -0.035 41.980 42.059 -0.073 0.000 1.067 213 L HN 0.368 nan 8.230 nan 0.000 0.477 214 Q N -0.665 119.143 119.800 0.013 0.000 2.394 214 Q HA 0.171 4.511 4.340 -0.000 0.000 0.261 214 Q C -0.248 175.764 176.000 0.020 0.000 1.023 214 Q CA -0.321 55.494 55.803 0.020 0.000 0.720 214 Q CB 1.515 30.290 28.738 0.062 0.000 1.241 214 Q HN -0.031 nan 8.270 nan 0.000 0.483 215 D N 0.526 120.926 120.400 -0.000 0.000 2.224 215 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 215 D C 1.337 177.631 176.300 -0.010 0.000 0.965 215 D CA 1.252 55.250 54.000 -0.003 0.000 0.852 215 D CB 0.348 41.141 40.800 -0.012 0.000 0.947 215 D HN 0.440 nan 8.370 nan 0.000 0.494 216 T N 0.572 115.111 114.554 -0.026 0.000 2.759 216 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 216 T C 0.914 175.594 174.700 -0.033 0.000 1.042 216 T CA 1.256 63.328 62.100 -0.047 0.000 1.140 216 T CB -0.122 68.694 68.868 -0.087 0.000 0.864 216 T HN 0.234 nan 8.240 nan 0.000 0.455 217 K N -1.283 119.111 120.400 -0.009 0.000 3.281 217 K HA -0.151 4.169 4.320 -0.000 0.000 0.295 217 K C -0.059 176.534 176.600 -0.013 0.000 1.233 217 K CA 0.542 56.855 56.287 0.042 0.000 0.866 217 K CB -2.467 30.082 32.500 0.082 0.000 1.265 217 K HN 0.456 nan 8.250 nan 0.000 0.482 218 C N -0.152 119.023 119.300 -0.208 0.000 3.613 218 C HA 0.138 4.598 4.460 -0.000 0.000 0.277 218 C C 1.498 176.146 174.990 -0.569 0.000 2.235 218 C CA -0.738 57.941 59.018 -0.565 0.000 1.657 218 C CB 0.112 27.574 27.740 -0.463 0.000 3.412 218 C HN 0.327 nan 8.230 nan 0.000 0.432 219 E N 1.556 121.530 120.200 -0.376 0.000 2.230 219 E HA 0.052 4.402 4.350 -0.000 0.000 0.192 219 E C 0.993 177.282 176.600 -0.519 0.000 0.987 219 E CA 1.173 57.331 56.400 -0.403 0.000 0.841 219 E CB 0.285 29.899 29.700 -0.143 0.000 0.783 219 E HN 0.655 nan 8.360 nan 0.000 0.481 220 V N -2.597 117.071 119.914 -0.409 0.000 3.156 220 V HA 0.560 4.680 4.120 -0.000 0.000 0.310 220 V C -2.925 173.113 176.094 -0.093 0.000 1.234 220 V CA -2.964 59.079 62.300 -0.428 0.000 1.065 220 V CB 1.426 32.761 31.823 -0.813 0.000 1.088 220 V HN -0.263 nan 8.190 nan 0.000 0.451 221 P HA 0.306 nan 4.420 nan 0.000 0.272 221 P C 0.622 177.925 177.300 0.005 0.000 1.230 221 P CA -0.298 62.836 63.100 0.057 0.000 0.788 221 P CB 0.485 32.184 31.700 -0.003 0.000 0.949 222 L N 1.875 123.056 121.223 -0.069 0.000 2.089 222 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 222 L C 1.615 178.498 176.870 0.021 0.000 1.079 222 L CA 2.099 56.898 54.840 -0.068 0.000 0.758 222 L CB -1.395 40.582 42.059 -0.136 0.000 0.891 222 L HN 0.482 nan 8.230 nan 0.000 0.433 223 D N -1.238 119.161 120.400 -0.001 0.000 2.371 223 D HA -0.142 4.497 4.640 -0.000 0.000 0.221 223 D C 1.535 177.887 176.300 0.088 0.000 0.986 223 D CA 1.136 55.210 54.000 0.123 0.000 0.899 223 D CB -0.308 40.616 40.800 0.207 0.000 0.902 223 D HN 0.605 nan 8.370 nan 0.000 0.530 224 I N -3.898 116.665 120.570 -0.012 0.000 4.557 224 I HA 0.277 4.447 4.170 -0.000 0.000 0.333 224 I C 1.807 177.810 176.117 -0.190 0.000 1.332 224 I CA -0.663 60.562 61.300 -0.126 0.000 1.240 224 I CB 0.065 37.851 38.000 -0.357 0.000 1.312 224 I HN 0.016 nan 8.210 nan 0.000 0.457 225 C N 1.601 120.840 119.300 -0.103 0.000 2.403 225 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 225 C C 1.920 176.947 174.990 0.062 0.000 1.248 225 C CA 1.434 60.429 59.018 -0.038 0.000 1.762 225 C CB -0.747 27.032 27.740 0.065 0.000 2.014 225 C HN 0.655 nan 8.230 nan 0.000 0.486 226 Q N 0.974 120.821 119.800 0.077 0.000 2.211 226 Q HA 0.364 4.703 4.340 -0.000 0.000 0.301 226 Q C -0.125 175.942 176.000 0.113 0.000 0.884 226 Q CA 0.096 55.961 55.803 0.103 0.000 1.115 226 Q CB 1.046 29.831 28.738 0.078 0.000 1.217 226 Q HN 0.736 nan 8.270 nan 0.000 0.451 227 S N -0.545 115.238 115.700 0.139 0.000 2.851 227 S HA 0.652 5.122 4.470 -0.000 0.000 0.317 227 S C -0.052 174.661 174.600 0.189 0.000 1.144 227 S CA -0.661 57.616 58.200 0.129 0.000 0.862 227 S CB 1.515 64.777 63.200 0.103 0.000 1.259 227 S HN 0.175 nan 8.310 nan 0.000 0.564 228 I N 1.063 121.699 120.570 0.110 0.000 2.378 228 I HA 0.365 4.534 4.170 -0.000 0.000 0.291 228 I C -0.958 175.225 176.117 0.110 0.000 0.992 228 I CA -0.490 60.849 61.300 0.064 0.000 1.154 228 I CB 1.153 39.029 38.000 -0.207 0.000 1.315 228 I HN 0.453 nan 8.210 nan 0.000 0.448 229 C N 6.184 125.629 119.300 0.241 0.000 2.307 229 C HA 0.460 4.920 4.460 -0.000 0.000 0.340 229 C C 0.392 175.524 174.990 0.236 0.000 1.275 229 C CA -0.761 58.413 59.018 0.262 0.000 1.811 229 C CB 0.086 28.037 27.740 0.352 0.000 2.372 229 C HN 0.710 nan 8.230 nan 0.000 0.531 230 K N 1.604 122.169 120.400 0.275 0.000 2.295 230 K HA 0.620 4.940 4.320 -0.000 0.000 0.239 230 K C -1.411 175.451 176.600 0.437 0.000 0.991 230 K CA -0.647 55.791 56.287 0.252 0.000 0.845 230 K CB 2.036 34.568 32.500 0.053 0.000 1.197 230 K HN 0.632 nan 8.250 nan 0.000 0.441 231 Y N 0.893 121.306 120.300 0.188 0.000 2.442 231 Y HA 0.309 4.858 4.550 -0.000 0.000 0.344 231 Y C -2.739 173.191 175.900 0.050 0.000 0.976 231 Y CA -2.519 55.710 58.100 0.215 0.000 1.040 231 Y CB 1.845 40.426 38.460 0.201 0.000 1.228 231 Y HN 0.385 nan 8.280 nan 0.000 0.451 232 P HA -0.112 nan 4.420 nan 0.000 0.259 232 P C -0.670 176.152 177.300 -0.797 0.000 1.163 232 P CA 0.853 63.450 63.100 -0.839 0.000 0.760 232 P CB 0.400 31.208 31.700 -1.487 0.000 0.762 233 D N 3.134 123.254 120.400 -0.466 0.000 2.713 233 D HA 0.021 4.661 4.640 -0.000 0.000 0.229 233 D C 0.611 176.787 176.300 -0.206 0.000 1.136 233 D CA -0.080 53.771 54.000 -0.247 0.000 1.010 233 D CB -0.515 40.202 40.800 -0.138 0.000 1.084 233 D HN 0.324 nan 8.370 nan 0.000 0.495 234 Y N 0.486 120.725 120.300 -0.101 0.000 2.241 234 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 234 Y C 2.244 178.127 175.900 -0.029 0.000 1.166 234 Y CA 0.798 58.856 58.100 -0.071 0.000 1.203 234 Y CB -0.079 38.339 38.460 -0.069 0.000 0.977 234 Y HN 0.289 nan 8.280 nan 0.000 0.529 235 L N -0.404 120.907 121.223 0.147 0.000 2.027 235 L HA -0.241 4.099 4.340 -0.000 0.000 0.206 235 L C 2.637 179.537 176.870 0.049 0.000 1.074 235 L CA 1.685 56.582 54.840 0.095 0.000 0.745 235 L CB -0.554 41.557 42.059 0.087 0.000 0.898 235 L HN 0.243 nan 8.230 nan 0.000 0.433 236 Q N 0.500 120.311 119.800 0.018 0.000 2.050 236 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 236 Q C 2.103 178.099 176.000 -0.006 0.000 0.980 236 Q CA 1.871 57.670 55.803 -0.006 0.000 0.840 236 Q CB -0.293 28.424 28.738 -0.036 0.000 0.898 236 Q HN 0.398 nan 8.270 nan 0.000 0.424 237 M N -0.276 119.314 119.600 -0.017 0.000 2.296 237 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 237 M C 2.100 178.416 176.300 0.026 0.000 1.064 237 M CA 1.246 56.540 55.300 -0.009 0.000 1.109 237 M CB 0.005 32.581 32.600 -0.040 0.000 1.396 237 M HN 0.169 nan 8.290 nan 0.000 0.430 238 S N 0.415 116.140 115.700 0.041 0.000 2.387 238 S HA 0.028 4.498 4.470 -0.000 0.000 0.226 238 S C 2.034 176.650 174.600 0.026 0.000 1.026 238 S CA 1.128 59.354 58.200 0.042 0.000 0.972 238 S CB -0.106 63.123 63.200 0.048 0.000 0.814 238 S HN 0.546 nan 8.310 nan 0.000 0.477 239 A N 1.142 123.976 122.820 0.024 0.000 1.968 239 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 239 A C 0.821 178.414 177.584 0.016 0.000 1.169 239 A CA 0.359 52.406 52.037 0.016 0.000 0.638 239 A CB -0.605 18.404 19.000 0.015 0.000 0.812 239 A HN 0.481 nan 8.150 nan 0.000 0.446 240 D N 0.506 120.920 120.400 0.023 0.000 2.772 240 D HA -0.043 4.597 4.640 -0.000 0.000 0.227 240 D C -0.828 175.498 176.300 0.043 0.000 1.114 240 D CA -0.082 53.940 54.000 0.037 0.000 0.832 240 D CB 0.856 41.692 40.800 0.060 0.000 1.154 240 D HN 0.210 nan 8.370 nan 0.000 0.514 241 P HA -0.172 nan 4.420 nan 0.000 0.217 241 P C 0.842 178.112 177.300 -0.050 0.000 1.151 241 P CA 1.298 64.348 63.100 -0.082 0.000 0.828 241 P CB 0.020 31.566 31.700 -0.256 0.000 0.788 242 Y N 0.350 120.774 120.300 0.206 0.000 2.314 242 Y HA 0.213 4.763 4.550 -0.000 0.000 0.294 242 Y C 1.780 177.864 175.900 0.305 0.000 1.119 242 Y CA 0.991 59.251 58.100 0.267 0.000 1.179 242 Y CB -0.702 37.872 38.460 0.190 0.000 1.025 242 Y HN 0.034 nan 8.280 nan 0.000 0.541 243 G N 0.852 109.847 108.800 0.325 0.000 2.326 243 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.286 243 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.286 243 G C -0.015 175.060 174.900 0.291 0.000 1.096 243 G CA 0.445 45.697 45.100 0.253 0.000 1.003 243 G HN 0.368 nan 8.290 nan 0.000 0.503 244 D N -0.470 120.079 120.400 0.247 0.000 2.389 244 D HA 0.157 4.796 4.640 -0.000 0.000 0.206 244 D C 2.267 178.561 176.300 -0.010 0.000 1.055 244 D CA 0.811 54.941 54.000 0.217 0.000 0.856 244 D CB 0.293 41.257 40.800 0.274 0.000 0.957 244 D HN 0.360 nan 8.370 nan 0.000 0.509 245 S N 0.500 116.190 115.700 -0.017 0.000 2.338 245 S HA -0.031 4.439 4.470 -0.000 0.000 0.218 245 S C 1.068 175.552 174.600 -0.192 0.000 1.032 245 S CA 0.826 58.958 58.200 -0.113 0.000 0.999 245 S CB 0.021 63.181 63.200 -0.068 0.000 0.905 245 S HN 0.376 nan 8.310 nan 0.000 0.439 246 M N 0.116 119.637 119.600 -0.132 0.000 2.206 246 M HA 0.498 4.977 4.480 -0.000 0.000 0.272 246 M C -1.190 175.135 176.300 0.042 0.000 1.012 246 M CA -0.700 54.520 55.300 -0.133 0.000 0.986 246 M CB 1.286 33.874 32.600 -0.020 0.000 1.740 246 M HN 0.074 nan 8.290 nan 0.000 0.472 247 F N 1.418 121.473 119.950 0.174 0.000 2.772 247 F HA 0.755 5.282 4.527 -0.000 0.000 0.302 247 F C -1.154 174.816 175.800 0.284 0.000 1.136 247 F CA -1.551 56.559 58.000 0.182 0.000 1.322 247 F CB -0.274 38.824 39.000 0.163 0.000 0.967 247 F HN 0.539 nan 8.300 nan 0.000 0.513 248 F N 1.153 121.280 119.950 0.295 0.000 2.704 248 F HA 0.507 5.034 4.527 -0.000 0.000 0.312 248 F C -1.923 173.941 175.800 0.108 0.000 1.108 248 F CA -1.697 56.419 58.000 0.194 0.000 1.005 248 F CB 0.930 40.076 39.000 0.244 0.000 1.277 248 F HN 0.218 nan 8.300 nan 0.000 0.445 249 C N 7.190 126.194 119.300 -0.493 0.000 2.931 249 C HA 0.851 5.311 4.460 -0.000 0.000 0.370 249 C C -2.432 172.263 174.990 -0.492 0.000 1.071 249 C CA -0.630 58.202 59.018 -0.309 0.000 1.266 249 C CB 0.633 28.352 27.740 -0.035 0.000 1.691 249 C HN 0.864 nan 8.230 nan 0.000 0.511 250 L N 6.352 127.361 121.223 -0.355 0.000 2.457 250 L HA 0.704 5.044 4.340 -0.000 0.000 0.266 250 L C -0.001 176.770 176.870 -0.166 0.000 0.979 250 L CA 0.029 54.661 54.840 -0.347 0.000 0.857 250 L CB 1.351 43.132 42.059 -0.462 0.000 1.213 250 L HN 0.927 nan 8.230 nan 0.000 0.418 251 R N 2.364 122.766 120.500 -0.163 0.000 2.892 251 R HA 0.967 5.307 4.340 -0.000 0.000 0.265 251 R C -0.755 175.497 176.300 -0.080 0.000 1.025 251 R CA -1.135 54.918 56.100 -0.078 0.000 0.982 251 R CB 2.050 32.296 30.300 -0.090 0.000 1.185 251 R HN 0.399 nan 8.270 nan 0.000 0.484 252 R N 0.972 121.456 120.500 -0.025 0.000 2.658 252 R HA 0.155 4.495 4.340 -0.000 0.000 0.287 252 R C -1.569 174.751 176.300 0.033 0.000 1.209 252 R CA -0.335 55.754 56.100 -0.019 0.000 1.046 252 R CB 1.304 31.569 30.300 -0.058 0.000 1.247 252 R HN 0.995 nan 8.270 nan 0.000 0.405 253 E N 3.923 124.156 120.200 0.056 0.000 2.392 253 E HA 0.490 4.840 4.350 -0.000 0.000 0.269 253 E C -1.493 175.149 176.600 0.069 0.000 0.924 253 E CA -1.053 55.399 56.400 0.086 0.000 0.784 253 E CB 2.676 32.453 29.700 0.129 0.000 1.292 253 E HN 0.632 nan 8.360 nan 0.000 0.447 254 Q N 0.581 120.429 119.800 0.080 0.000 2.545 254 Q HA 0.549 4.889 4.340 -0.000 0.000 0.273 254 Q C -1.328 174.732 176.000 0.099 0.000 0.975 254 Q CA -1.145 54.706 55.803 0.080 0.000 0.876 254 Q CB 1.563 30.347 28.738 0.076 0.000 1.472 254 Q HN 0.604 nan 8.270 nan 0.000 0.389 255 L N -1.491 119.801 121.223 0.114 0.000 3.133 255 L HA 0.860 5.199 4.340 -0.000 0.000 0.280 255 L C -1.717 175.268 176.870 0.190 0.000 1.009 255 L CA -0.887 54.026 54.840 0.120 0.000 0.982 255 L CB 0.308 42.381 42.059 0.024 0.000 1.530 255 L HN 1.065 nan 8.230 nan 0.000 0.394 256 F N -1.239 118.708 119.950 -0.006 0.000 2.741 256 F HA 0.936 5.463 4.527 -0.000 0.000 0.313 256 F C -0.795 174.997 175.800 -0.012 0.000 1.153 256 F CA -0.693 57.301 58.000 -0.011 0.000 0.931 256 F CB 1.168 40.160 39.000 -0.012 0.000 1.335 256 F HN 0.915 nan 8.300 nan 0.000 0.460 257 A N 2.301 125.185 122.820 0.106 0.000 2.310 257 A HA 0.553 4.873 4.320 -0.000 0.000 0.300 257 A C 0.912 178.449 177.584 -0.078 0.000 1.269 257 A CA -0.326 51.708 52.037 -0.005 0.000 0.909 257 A CB 0.556 19.699 19.000 0.238 0.000 1.144 257 A HN 0.928 nan 8.150 nan 0.000 0.540 258 R N 1.999 122.273 120.500 -0.376 0.000 2.057 258 R HA 0.089 4.428 4.340 -0.000 0.000 0.224 258 R C -0.143 175.826 176.300 -0.551 0.000 1.136 258 R CA 1.572 57.460 56.100 -0.353 0.000 0.968 258 R CB -0.125 29.998 30.300 -0.295 0.000 0.863 258 R HN 0.822 nan 8.270 nan 0.000 0.433 259 H N -2.054 116.730 119.070 -0.477 0.000 2.865 259 H HA 0.404 4.960 4.556 -0.000 0.000 0.372 259 H C -1.294 173.684 175.328 -0.584 0.000 1.173 259 H CA -0.647 54.951 56.048 -0.750 0.000 1.147 259 H CB 1.564 30.723 29.762 -1.005 0.000 1.805 259 H HN -0.018 nan 8.280 nan 0.000 0.553 260 F N 1.688 121.296 119.950 -0.571 0.000 2.444 260 F HA 0.345 4.872 4.527 -0.000 0.000 0.342 260 F C -0.702 174.950 175.800 -0.246 0.000 1.121 260 F CA -0.841 56.950 58.000 -0.349 0.000 0.997 260 F CB 1.486 40.393 39.000 -0.154 0.000 1.130 260 F HN 0.177 nan 8.300 nan 0.000 0.454 261 W N 1.301 122.838 121.300 0.396 0.000 2.962 261 W HA 0.323 4.983 4.660 -0.000 0.000 0.341 261 W C -0.678 176.026 176.519 0.308 0.000 1.155 261 W CA -1.240 56.296 57.345 0.319 0.000 1.165 261 W CB 1.404 31.041 29.460 0.294 0.000 1.435 261 W HN 0.444 nan 8.180 nan 0.000 0.546 262 N N 0.844 119.838 118.700 0.491 0.000 2.463 262 N HA 0.419 5.159 4.740 -0.000 0.000 0.270 262 N C -0.369 175.212 175.510 0.118 0.000 1.205 262 N CA -0.570 52.603 53.050 0.205 0.000 0.974 262 N CB 0.920 39.492 38.487 0.142 0.000 1.197 262 N HN -0.051 nan 8.380 nan 0.000 0.504 263 R N 0.883 121.380 120.500 -0.006 0.000 2.562 263 R HA 0.455 4.795 4.340 -0.000 0.000 0.298 263 R C -0.792 175.473 176.300 -0.059 0.000 0.961 263 R CA -0.694 55.385 56.100 -0.034 0.000 0.881 263 R CB 1.510 31.780 30.300 -0.050 0.000 1.159 263 R HN 0.569 nan 8.270 nan 0.000 0.450 264 A N 0.968 123.748 122.820 -0.066 0.000 2.351 264 A HA 0.690 5.010 4.320 -0.000 0.000 0.257 264 A C 0.481 178.026 177.584 -0.066 0.000 1.087 264 A CA 0.654 52.654 52.037 -0.062 0.000 0.798 264 A CB 0.420 19.383 19.000 -0.063 0.000 1.033 264 A HN 0.858 nan 8.150 nan 0.000 0.488 265 G N -0.390 108.376 108.800 -0.057 0.000 2.347 265 G HA2 0.475 4.434 3.960 -0.000 0.000 0.477 265 G HA3 0.475 4.434 3.960 -0.000 0.000 0.477 265 G C -0.332 174.538 174.900 -0.051 0.000 1.349 265 G CA -0.181 44.886 45.100 -0.054 0.000 1.000 265 G HN 1.888 nan 8.290 nan 0.000 0.605 266 T N -0.643 113.884 114.554 -0.044 0.000 2.889 266 T HA 0.614 4.963 4.350 -0.000 0.000 0.291 266 T C 0.836 175.510 174.700 -0.043 0.000 0.995 266 T CA -0.715 61.362 62.100 -0.039 0.000 1.092 266 T CB 1.087 69.936 68.868 -0.031 0.000 0.954 266 T HN 0.603 nan 8.240 nan 0.000 0.506 267 M N 3.244 122.817 119.600 -0.044 0.000 2.217 267 M HA 0.236 4.716 4.480 -0.000 0.000 0.352 267 M C 1.643 177.923 176.300 -0.034 0.000 1.376 267 M CA -0.397 54.874 55.300 -0.048 0.000 1.107 267 M CB 0.223 32.792 32.600 -0.052 0.000 1.723 267 M HN 1.061 nan 8.290 nan 0.000 0.461 268 G N 3.549 112.328 108.800 -0.036 0.000 2.575 268 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.215 268 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.215 268 G C 0.160 175.048 174.900 -0.021 0.000 1.262 268 G CA 0.243 45.327 45.100 -0.027 0.000 0.807 268 G HN 0.672 nan 8.290 nan 0.000 0.567 269 D N 1.554 121.941 120.400 -0.022 0.000 2.343 269 D HA 0.296 4.936 4.640 -0.000 0.000 0.255 269 D C 0.025 176.321 176.300 -0.007 0.000 1.187 269 D CA 0.329 54.321 54.000 -0.013 0.000 0.875 269 D CB 1.102 41.893 40.800 -0.015 0.000 1.136 269 D HN 0.024 nan 8.370 nan 0.000 0.469 270 T N 0.835 115.392 114.554 0.005 0.000 2.869 270 T HA 0.198 4.547 4.350 -0.000 0.000 0.295 270 T C 0.717 175.442 174.700 0.042 0.000 0.987 270 T CA -0.755 61.357 62.100 0.020 0.000 1.109 270 T CB 1.247 70.131 68.868 0.028 0.000 0.932 270 T HN 0.033 nan 8.240 nan 0.000 0.518 271 V N 6.065 126.015 119.914 0.060 0.000 2.450 271 V HA 0.124 4.244 4.120 -0.000 0.000 0.281 271 V C -1.750 174.461 176.094 0.196 0.000 1.019 271 V CA -1.457 60.905 62.300 0.104 0.000 1.062 271 V CB -0.488 31.372 31.823 0.062 0.000 0.979 271 V HN 0.761 nan 8.190 nan 0.000 0.477 272 P HA 0.012 nan 4.420 nan 0.000 0.266 272 P C 0.730 178.099 177.300 0.116 0.000 1.193 272 P CA 0.045 63.208 63.100 0.105 0.000 0.770 272 P CB 0.483 32.220 31.700 0.062 0.000 0.836 273 Q N 0.975 120.749 119.800 -0.044 0.000 2.311 273 Q HA -0.068 4.272 4.340 -0.000 0.000 0.203 273 Q C 1.553 177.346 176.000 -0.346 0.000 0.954 273 Q CA 1.388 56.997 55.803 -0.323 0.000 0.885 273 Q CB -0.223 28.381 28.738 -0.223 0.000 0.963 273 Q HN 0.598 nan 8.270 nan 0.000 0.471 274 S N -0.464 115.153 115.700 -0.139 0.000 2.603 274 S HA 0.048 4.518 4.470 -0.000 0.000 0.229 274 S C 1.518 176.094 174.600 -0.039 0.000 0.972 274 S CA 0.259 58.405 58.200 -0.090 0.000 0.935 274 S CB -0.125 63.050 63.200 -0.041 0.000 0.769 274 S HN 0.266 nan 8.310 nan 0.000 0.536 275 L N 0.445 121.676 121.223 0.014 0.000 2.728 275 L HA 0.422 4.762 4.340 -0.000 0.000 0.238 275 L C 0.044 177.084 176.870 0.283 0.000 1.143 275 L CA -0.445 54.484 54.840 0.147 0.000 0.937 275 L CB -0.133 42.044 42.059 0.196 0.000 1.225 275 L HN 0.597 nan 8.230 nan 0.000 0.507 276 Y N -3.122 117.185 120.300 0.013 0.000 2.895 276 Y HA 0.580 5.130 4.550 -0.000 0.000 0.339 276 Y C -1.354 174.553 175.900 0.012 0.000 1.363 276 Y CA -1.632 56.476 58.100 0.015 0.000 1.085 276 Y CB 0.909 39.381 38.460 0.020 0.000 1.500 276 Y HN -0.268 nan 8.280 nan 0.000 0.442 277 I N 2.587 123.302 120.570 0.242 0.000 2.436 277 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 277 I C -0.603 175.641 176.117 0.211 0.000 1.010 277 I CA -1.102 60.256 61.300 0.096 0.000 1.098 277 I CB 1.927 39.968 38.000 0.069 0.000 1.266 277 I HN 0.529 nan 8.210 nan 0.000 0.434 278 K N 3.580 124.051 120.400 0.119 0.000 2.469 278 K HA 0.229 4.549 4.320 -0.000 0.000 0.274 278 K C 0.438 177.111 176.600 0.122 0.000 0.983 278 K CA 0.071 56.464 56.287 0.177 0.000 0.974 278 K CB 0.807 33.363 32.500 0.094 0.000 0.913 278 K HN 0.841 nan 8.250 nan 0.000 0.493 279 G N 0.464 109.330 108.800 0.111 0.000 3.119 279 G HA2 0.484 4.444 3.960 -0.000 0.000 0.206 279 G HA3 0.484 4.444 3.960 -0.000 0.000 0.206 279 G C -0.815 174.118 174.900 0.054 0.000 1.313 279 G CA -0.449 44.693 45.100 0.070 0.000 1.010 279 G HN 0.591 nan 8.290 nan 0.000 0.578 280 T N -3.291 111.288 114.554 0.041 0.000 2.924 280 T HA 0.715 5.065 4.350 -0.000 0.000 0.291 280 T C 0.707 175.424 174.700 0.029 0.000 1.045 280 T CA 0.523 62.643 62.100 0.033 0.000 1.015 280 T CB 1.381 70.265 68.868 0.027 0.000 1.103 280 T HN 2.377 nan 8.240 nan 0.000 0.496 281 G N 2.161 110.976 108.800 0.025 0.000 2.512 281 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 281 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 281 G C 0.925 175.838 174.900 0.021 0.000 1.199 281 G CA 0.645 45.757 45.100 0.021 0.000 0.941 281 G HN 1.555 nan 8.290 nan 0.000 0.569 282 M N -0.600 119.011 119.600 0.018 0.000 2.346 282 M HA 0.108 4.588 4.480 -0.000 0.000 0.263 282 M C 2.149 178.458 176.300 0.016 0.000 1.064 282 M CA 2.476 57.785 55.300 0.015 0.000 1.083 282 M CB -0.255 32.353 32.600 0.014 0.000 1.399 282 M HN 0.386 nan 8.290 nan 0.000 0.435 283 R N 0.496 121.010 120.500 0.023 0.000 2.313 283 R HA 0.213 4.553 4.340 -0.000 0.000 0.199 283 R C 2.071 178.397 176.300 0.043 0.000 0.958 283 R CA 0.570 56.686 56.100 0.027 0.000 1.047 283 R CB -0.078 30.241 30.300 0.032 0.000 0.955 283 R HN 0.595 nan 8.270 nan 0.000 0.481 284 A N -0.427 122.421 122.820 0.046 0.000 2.016 284 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 284 A C 0.908 178.549 177.584 0.095 0.000 1.162 284 A CA 0.631 52.710 52.037 0.070 0.000 0.662 284 A CB 0.295 19.326 19.000 0.052 0.000 0.812 284 A HN 0.143 nan 8.150 nan 0.000 0.450 285 S N 0.747 116.479 115.700 0.053 0.000 2.532 285 S HA 0.544 5.013 4.470 -0.000 0.000 0.299 285 S C -2.910 171.662 174.600 -0.047 0.000 1.105 285 S CA -1.690 56.532 58.200 0.037 0.000 1.018 285 S CB 1.205 64.425 63.200 0.034 0.000 1.021 285 S HN 0.227 nan 8.310 nan 0.000 0.483 286 P HA 0.190 nan 4.420 nan 0.000 0.265 286 P C 0.474 177.707 177.300 -0.112 0.000 1.187 286 P CA -0.033 62.935 63.100 -0.220 0.000 0.766 286 P CB 0.357 31.809 31.700 -0.413 0.000 0.820 287 G N 1.475 110.223 108.800 -0.088 0.000 2.714 287 G HA2 0.196 4.156 3.960 -0.000 0.000 0.197 287 G HA3 0.196 4.156 3.960 -0.000 0.000 0.197 287 G C -0.340 174.508 174.900 -0.087 0.000 1.449 287 G CA -0.414 44.650 45.100 -0.060 0.000 1.065 287 G HN 0.590 nan 8.290 nan 0.000 0.575 288 S N -1.491 114.155 115.700 -0.090 0.000 2.488 288 S HA 0.160 4.630 4.470 -0.000 0.000 0.278 288 S C 0.383 174.798 174.600 -0.308 0.000 1.259 288 S CA -0.632 57.471 58.200 -0.162 0.000 1.061 288 S CB -0.196 62.921 63.200 -0.138 0.000 0.910 288 S HN 0.466 nan 8.310 nan 0.000 0.491 289 C N 5.749 124.839 119.300 -0.350 0.000 2.548 289 C HA 0.369 4.829 4.460 -0.000 0.000 0.297 289 C C -0.090 174.517 174.990 -0.639 0.000 1.422 289 C CA -0.626 58.068 59.018 -0.539 0.000 1.785 289 C CB -1.348 26.287 27.740 -0.175 0.000 2.593 289 C HN 0.672 nan 8.230 nan 0.000 0.545 290 V N 1.816 121.358 119.914 -0.620 0.000 2.293 290 V HA 0.363 4.483 4.120 -0.000 0.000 0.275 290 V C -0.694 175.187 176.094 -0.354 0.000 1.021 290 V CA -0.344 61.751 62.300 -0.340 0.000 0.815 290 V CB -0.083 31.643 31.823 -0.161 0.000 1.025 290 V HN 0.444 nan 8.190 nan 0.000 0.448 291 Y N 2.164 122.486 120.300 0.038 0.000 2.457 291 Y HA 0.746 5.295 4.550 -0.000 0.000 0.333 291 Y C 0.651 176.598 175.900 0.077 0.000 1.119 291 Y CA -0.675 57.466 58.100 0.069 0.000 1.143 291 Y CB 2.194 40.662 38.460 0.013 0.000 1.230 291 Y HN 0.620 nan 8.280 nan 0.000 0.469 292 S N 1.682 117.570 115.700 0.312 0.000 2.562 292 S HA 0.592 5.062 4.470 -0.000 0.000 0.274 292 S C -3.415 171.350 174.600 0.274 0.000 1.160 292 S CA -1.487 56.861 58.200 0.248 0.000 0.933 292 S CB 2.444 65.821 63.200 0.296 0.000 1.100 292 S HN 0.359 nan 8.310 nan 0.000 0.468 293 P HA 0.430 nan 4.420 nan 0.000 0.287 293 P C -0.366 176.917 177.300 -0.028 0.000 1.270 293 P CA -0.543 62.580 63.100 0.037 0.000 0.844 293 P CB 1.451 33.128 31.700 -0.038 0.000 1.068 294 S N 2.747 118.357 115.700 -0.150 0.000 2.481 294 S HA 0.330 4.800 4.470 -0.000 0.000 0.276 294 S C -1.816 172.649 174.600 -0.225 0.000 1.247 294 S CA -0.971 57.165 58.200 -0.108 0.000 1.053 294 S CB -0.208 62.893 63.200 -0.164 0.000 0.925 294 S HN 0.360 nan 8.310 nan 0.000 0.491 295 P HA 0.405 nan 4.420 nan 0.000 0.279 295 P C -0.528 176.593 177.300 -0.299 0.000 1.282 295 P CA -0.537 62.386 63.100 -0.296 0.000 0.788 295 P CB 1.105 32.637 31.700 -0.279 0.000 1.139 296 S N -1.612 113.867 115.700 -0.368 0.000 2.658 296 S HA 0.486 4.955 4.470 -0.000 0.000 0.312 296 S C -0.813 173.665 174.600 -0.203 0.000 1.006 296 S CA -0.568 57.440 58.200 -0.320 0.000 0.855 296 S CB -0.190 62.671 63.200 -0.565 0.000 1.053 296 S HN 0.693 nan 8.310 nan 0.000 0.455 297 G N 2.172 110.992 108.800 0.033 0.000 2.389 297 G HA2 0.560 4.520 3.960 -0.000 0.000 0.317 297 G HA3 0.560 4.520 3.960 -0.000 0.000 0.317 297 G C 0.507 175.540 174.900 0.221 0.000 1.137 297 G CA -0.009 45.178 45.100 0.145 0.000 0.870 297 G HN 0.815 nan 8.290 nan 0.000 0.496 298 S N 0.567 116.433 115.700 0.277 0.000 2.371 298 S HA 0.267 4.737 4.470 -0.000 0.000 0.159 298 S C 0.981 175.670 174.600 0.148 0.000 1.281 298 S CA -0.339 58.023 58.200 0.270 0.000 2.161 298 S CB -0.342 62.945 63.200 0.145 0.000 0.406 298 S HN 0.398 nan 8.310 nan 0.000 0.374 299 I N 1.498 122.120 120.570 0.088 0.000 2.529 299 I HA 0.276 4.446 4.170 -0.000 0.000 0.284 299 I C -0.184 175.969 176.117 0.061 0.000 1.082 299 I CA -0.208 61.129 61.300 0.061 0.000 1.406 299 I CB 1.414 39.432 38.000 0.031 0.000 1.405 299 I HN 0.162 nan 8.210 nan 0.000 0.548 300 V N 6.105 126.054 119.914 0.058 0.000 2.427 300 V HA 0.670 4.789 4.120 -0.000 0.000 0.286 300 V C -0.218 175.898 176.094 0.036 0.000 1.034 300 V CA 0.198 62.530 62.300 0.053 0.000 0.893 300 V CB 1.638 33.497 31.823 0.060 0.000 0.982 300 V HN 0.881 nan 8.190 nan 0.000 0.452 301 T N 2.615 117.185 114.554 0.027 0.000 2.883 301 T HA 0.381 4.730 4.350 -0.000 0.000 0.301 301 T C 0.885 175.593 174.700 0.012 0.000 1.158 301 T CA 0.108 62.218 62.100 0.017 0.000 1.007 301 T CB 1.830 70.705 68.868 0.011 0.000 1.186 301 T HN 1.173 nan 8.240 nan 0.000 0.499 302 S N 1.344 117.049 115.700 0.008 0.000 2.561 302 S HA 0.017 4.487 4.470 -0.000 0.000 0.225 302 S C 1.025 175.624 174.600 -0.002 0.000 0.977 302 S CA 0.465 58.668 58.200 0.005 0.000 0.926 302 S CB -0.239 62.962 63.200 0.003 0.000 0.769 302 S HN 0.731 nan 8.310 nan 0.000 0.533 303 D N 2.525 122.923 120.400 -0.003 0.000 2.183 303 D HA -0.028 4.612 4.640 -0.000 0.000 0.203 303 D C 1.524 177.818 176.300 -0.011 0.000 0.969 303 D CA 1.473 55.469 54.000 -0.007 0.000 0.842 303 D CB -0.148 40.649 40.800 -0.006 0.000 0.957 303 D HN 0.674 nan 8.370 nan 0.000 0.484 304 S N -0.124 115.570 115.700 -0.010 0.000 2.574 304 S HA 0.139 4.609 4.470 -0.000 0.000 0.242 304 S C 0.582 175.160 174.600 -0.036 0.000 0.982 304 S CA -0.563 57.625 58.200 -0.019 0.000 0.977 304 S CB 0.494 63.687 63.200 -0.012 0.000 0.814 304 S HN -0.121 nan 8.310 nan 0.000 0.464 305 Q N 1.229 121.011 119.800 -0.030 0.000 2.274 305 Q HA 0.333 4.672 4.340 -0.000 0.000 0.280 305 Q C 0.619 176.564 176.000 -0.091 0.000 1.047 305 Q CA -0.177 55.599 55.803 -0.046 0.000 0.907 305 Q CB 0.768 29.502 28.738 -0.005 0.000 1.171 305 Q HN 0.356 nan 8.270 nan 0.000 0.381 306 L N 4.058 125.136 121.223 -0.243 0.000 2.202 306 L HA 0.250 4.590 4.340 -0.000 0.000 0.205 306 L C -0.046 176.679 176.870 -0.240 0.000 1.083 306 L CA 1.103 55.719 54.840 -0.374 0.000 0.790 306 L CB -0.041 41.569 42.059 -0.747 0.000 0.942 306 L HN 0.646 nan 8.230 nan 0.000 0.452 307 F N -0.863 119.171 119.950 0.140 0.000 2.377 307 F HA 0.259 4.785 4.527 -0.000 0.000 0.335 307 F C 1.359 177.159 175.800 -0.000 0.000 1.099 307 F CA -0.737 57.343 58.000 0.134 0.000 1.072 307 F CB 0.022 39.061 39.000 0.066 0.000 1.417 307 F HN -0.103 nan 8.300 nan 0.000 0.495 308 N N -0.314 118.501 118.700 0.192 0.000 2.776 308 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 308 N C -1.505 173.931 175.510 -0.124 0.000 1.112 308 N CA 0.473 53.519 53.050 -0.005 0.000 0.733 308 N CB -0.761 37.731 38.487 0.009 0.000 1.097 308 N HN 0.415 nan 8.380 nan 0.000 0.558 309 K N -0.112 120.122 120.400 -0.277 0.000 2.469 309 K HA 0.482 4.802 4.320 -0.000 0.000 0.254 309 K C -2.859 173.200 176.600 -0.900 0.000 0.939 309 K CA -1.641 54.343 56.287 -0.506 0.000 0.812 309 K CB 2.689 34.877 32.500 -0.520 0.000 1.301 309 K HN -0.166 nan 8.250 nan 0.000 0.433 310 P HA 0.197 nan 4.420 nan 0.000 0.290 310 P C -1.530 175.032 177.300 -1.231 0.000 1.276 310 P CA -0.360 62.137 63.100 -1.005 0.000 0.808 310 P CB 0.402 31.565 31.700 -0.895 0.000 0.966 311 Y N 0.884 120.770 120.300 -0.691 0.000 2.376 311 Y HA 0.463 5.013 4.550 -0.000 0.000 0.340 311 Y C -0.398 175.138 175.900 -0.608 0.000 0.965 311 Y CA -0.855 56.938 58.100 -0.513 0.000 1.078 311 Y CB 1.007 39.491 38.460 0.039 0.000 1.193 311 Y HN 0.343 nan 8.280 nan 0.000 0.452 312 W N 4.543 125.953 121.300 0.185 0.000 2.391 312 W HA 0.704 5.364 4.660 -0.000 0.000 0.311 312 W C -0.845 175.793 176.519 0.199 0.000 1.087 312 W CA -1.174 56.240 57.345 0.114 0.000 1.209 312 W CB 0.904 30.428 29.460 0.107 0.000 1.273 312 W HN 0.384 nan 8.180 nan 0.000 0.482 313 L N 2.791 124.205 121.223 0.318 0.000 2.255 313 L HA 0.447 4.786 4.340 -0.000 0.000 0.289 313 L C 1.124 178.168 176.870 0.290 0.000 1.046 313 L CA -0.755 54.260 54.840 0.290 0.000 0.816 313 L CB 0.569 42.672 42.059 0.073 0.000 1.197 313 L HN 0.622 nan 8.230 nan 0.000 0.427 314 H N 1.891 121.064 119.070 0.172 0.000 2.451 314 H HA 0.298 4.854 4.556 -0.000 0.000 0.294 314 H C -0.299 175.091 175.328 0.103 0.000 1.028 314 H CA -0.166 55.963 56.048 0.135 0.000 1.349 314 H CB 0.369 30.208 29.762 0.129 0.000 1.444 314 H HN 0.590 nan 8.280 nan 0.000 0.538 315 K N 0.897 121.039 120.400 -0.430 0.000 2.762 315 K HA 0.505 4.825 4.320 -0.000 0.000 0.272 315 K C -0.966 175.517 176.600 -0.196 0.000 1.093 315 K CA -0.154 55.973 56.287 -0.267 0.000 1.048 315 K CB 2.508 34.866 32.500 -0.237 0.000 1.304 315 K HN 0.338 nan 8.250 nan 0.000 0.511 316 A N 1.828 124.616 122.820 -0.054 0.000 2.536 316 A HA -0.063 4.257 4.320 -0.000 0.000 0.234 316 A C 1.362 178.982 177.584 0.060 0.000 1.076 316 A CA 0.381 52.452 52.037 0.057 0.000 0.769 316 A CB 0.311 19.368 19.000 0.096 0.000 1.020 316 A HN 0.856 nan 8.150 nan 0.000 0.508 317 Q N 1.731 121.594 119.800 0.104 0.000 2.046 317 Q HA 0.161 4.500 4.340 -0.000 0.000 0.200 317 Q C 1.088 177.103 176.000 0.025 0.000 0.975 317 Q CA 1.517 57.355 55.803 0.058 0.000 0.836 317 Q CB -0.778 28.001 28.738 0.068 0.000 0.896 317 Q HN 0.821 nan 8.270 nan 0.000 0.428 318 G N -0.900 107.940 108.800 0.067 0.000 2.509 318 G HA2 0.174 4.133 3.960 -0.000 0.000 0.269 318 G HA3 0.174 4.133 3.960 -0.000 0.000 0.269 318 G C -0.252 174.650 174.900 0.003 0.000 1.416 318 G CA -0.035 45.059 45.100 -0.009 0.000 1.052 318 G HN 0.464 nan 8.290 nan 0.000 0.542 319 H N -0.925 118.266 119.070 0.202 0.000 2.428 319 H HA -0.006 4.550 4.556 -0.000 0.000 0.296 319 H C 0.928 176.414 175.328 0.264 0.000 1.062 319 H CA 0.689 56.875 56.048 0.230 0.000 1.350 319 H CB 0.325 30.251 29.762 0.274 0.000 1.403 319 H HN 0.267 nan 8.280 nan 0.000 0.533 320 N N 1.353 120.313 118.700 0.433 0.000 2.414 320 N HA -0.075 4.665 4.740 -0.000 0.000 0.256 320 N C -0.759 174.897 175.510 0.243 0.000 1.029 320 N CA -0.032 53.261 53.050 0.404 0.000 0.948 320 N CB 0.391 39.207 38.487 0.549 0.000 1.102 320 N HN 0.174 nan 8.380 nan 0.000 0.496 321 N N 3.082 121.826 118.700 0.072 0.000 3.250 321 N HA 0.127 4.867 4.740 -0.000 0.000 0.307 321 N C 0.337 175.664 175.510 -0.304 0.000 1.355 321 N CA 0.329 53.342 53.050 -0.062 0.000 1.192 321 N CB -0.730 37.743 38.487 -0.024 0.000 1.478 321 N HN 0.839 nan 8.380 nan 0.000 0.543 322 G N 0.376 108.767 108.800 -0.681 0.000 2.246 322 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.273 322 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.273 322 G C -0.073 174.483 174.900 -0.572 0.000 1.055 322 G CA 0.161 44.386 45.100 -1.457 0.000 0.851 322 G HN 0.313 nan 8.290 nan 0.000 0.500 323 V N 0.654 120.350 119.914 -0.363 0.000 2.427 323 V HA 0.230 4.349 4.120 -0.000 0.000 0.268 323 V C 1.191 177.067 176.094 -0.363 0.000 1.046 323 V CA -0.318 61.723 62.300 -0.431 0.000 0.970 323 V CB 1.077 32.445 31.823 -0.759 0.000 1.001 323 V HN 0.491 nan 8.190 nan 0.000 0.476 324 C N 5.912 125.106 119.300 -0.176 0.000 2.218 324 C HA 0.257 4.717 4.460 -0.000 0.000 0.353 324 C C 0.343 175.343 174.990 0.015 0.000 1.070 324 C CA -1.378 57.653 59.018 0.020 0.000 1.497 324 C CB -1.811 25.988 27.740 0.098 0.000 1.951 324 C HN 0.839 nan 8.230 nan 0.000 0.493 325 W N 2.376 123.842 121.300 0.277 0.000 2.181 325 W HA 0.304 4.964 4.660 -0.001 0.000 0.335 325 W C 1.164 177.899 176.519 0.360 0.000 1.310 325 W CA 0.274 57.789 57.345 0.283 0.000 1.226 325 W CB -0.037 29.606 29.460 0.306 0.000 1.155 325 W HN 0.832 nan 8.180 nan 0.000 0.565 326 H N 0.272 119.528 119.070 0.311 0.000 3.415 326 H HA -0.272 4.284 4.556 -0.000 0.000 0.213 326 H C 0.611 176.007 175.328 0.113 0.000 1.091 326 H CA 1.102 57.249 56.048 0.164 0.000 1.182 326 H CB -1.935 27.921 29.762 0.156 0.000 1.160 326 H HN 0.599 nan 8.280 nan 0.000 0.319 327 N N -0.711 118.115 118.700 0.210 0.000 2.708 327 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 327 N C -0.029 175.478 175.510 -0.006 0.000 1.097 327 N CA 1.450 54.548 53.050 0.079 0.000 0.710 327 N CB -0.860 37.646 38.487 0.032 0.000 1.032 327 N HN 0.720 nan 8.380 nan 0.000 0.551 328 Q N -0.180 119.655 119.800 0.058 0.000 2.333 328 Q HA 0.841 5.181 4.340 -0.000 0.000 0.266 328 Q C -0.548 175.420 176.000 -0.054 0.000 1.053 328 Q CA -0.849 54.925 55.803 -0.048 0.000 0.890 328 Q CB 2.293 31.044 28.738 0.023 0.000 1.337 328 Q HN 0.341 nan 8.270 nan 0.000 0.474 329 L N 0.878 121.961 121.223 -0.233 0.000 2.847 329 L HA 0.375 4.715 4.340 -0.000 0.000 0.261 329 L C -1.940 174.755 176.870 -0.292 0.000 0.926 329 L CA -0.431 54.372 54.840 -0.062 0.000 1.010 329 L CB 0.924 42.997 42.059 0.024 0.000 1.538 329 L HN 0.516 nan 8.230 nan 0.000 0.465 330 F N 4.567 124.463 119.950 -0.090 0.000 2.410 330 F HA 0.536 5.063 4.527 -0.000 0.000 0.349 330 F C 0.252 176.043 175.800 -0.015 0.000 1.117 330 F CA -0.579 57.336 58.000 -0.143 0.000 1.104 330 F CB 1.851 40.678 39.000 -0.288 0.000 1.122 330 F HN 0.062 nan 8.300 nan 0.000 0.483 331 V N 3.405 123.439 119.914 0.199 0.000 2.311 331 V HA 0.281 4.401 4.120 -0.000 0.000 0.275 331 V C -0.086 176.166 176.094 0.262 0.000 1.022 331 V CA -0.534 61.921 62.300 0.259 0.000 0.830 331 V CB 1.077 33.071 31.823 0.286 0.000 1.012 331 V HN 0.776 nan 8.190 nan 0.000 0.452 332 T N 4.892 119.572 114.554 0.211 0.000 2.806 332 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 332 T C -0.331 174.521 174.700 0.253 0.000 0.966 332 T CA -0.293 61.927 62.100 0.200 0.000 1.060 332 T CB 1.546 70.503 68.868 0.149 0.000 0.927 332 T HN 0.345 nan 8.240 nan 0.000 0.485 333 V N 3.676 123.742 119.914 0.252 0.000 2.851 333 V HA 0.499 4.618 4.120 -0.000 0.000 0.307 333 V C -0.772 175.459 176.094 0.227 0.000 1.129 333 V CA -0.725 61.734 62.300 0.264 0.000 0.932 333 V CB 2.439 34.400 31.823 0.229 0.000 1.024 333 V HN 0.699 nan 8.190 nan 0.000 0.426 334 V N 3.218 123.274 119.914 0.238 0.000 2.680 334 V HA 0.719 4.838 4.120 -0.000 0.000 0.309 334 V C -1.154 175.104 176.094 0.273 0.000 1.052 334 V CA -0.426 61.951 62.300 0.128 0.000 0.908 334 V CB 2.161 33.948 31.823 -0.061 0.000 1.001 334 V HN 1.016 nan 8.190 nan 0.000 0.431 335 D N 1.726 122.254 120.400 0.214 0.000 2.354 335 D HA 0.219 4.858 4.640 -0.000 0.000 0.230 335 D C 0.473 176.830 176.300 0.095 0.000 1.361 335 D CA 0.152 54.318 54.000 0.277 0.000 0.992 335 D CB 1.694 42.714 40.800 0.367 0.000 1.409 335 D HN 0.590 nan 8.370 nan 0.000 0.573 336 T N -0.397 114.181 114.554 0.041 0.000 3.122 336 T HA 0.020 4.370 4.350 -0.000 0.000 0.250 336 T C 1.602 176.286 174.700 -0.027 0.000 1.067 336 T CA 0.798 62.821 62.100 -0.129 0.000 0.966 336 T CB -0.126 68.664 68.868 -0.130 0.000 1.002 336 T HN 0.339 nan 8.240 nan 0.000 0.542 337 T N 0.160 114.744 114.554 0.050 0.000 3.035 337 T HA 0.097 4.447 4.350 -0.000 0.000 0.268 337 T C 1.070 175.800 174.700 0.049 0.000 1.109 337 T CA 0.054 62.191 62.100 0.063 0.000 1.119 337 T CB -0.338 68.580 68.868 0.083 0.000 0.900 337 T HN 0.459 nan 8.240 nan 0.000 0.503 338 R N 1.752 122.275 120.500 0.039 0.000 2.724 338 R HA 0.376 4.716 4.340 -0.000 0.000 0.284 338 R C 0.222 176.582 176.300 0.101 0.000 1.481 338 R CA -0.049 56.082 56.100 0.052 0.000 1.652 338 R CB 0.788 31.104 30.300 0.026 0.000 1.175 338 R HN 0.408 nan 8.270 nan 0.000 0.613 339 S N -1.396 114.334 115.700 0.050 0.000 2.588 339 S HA 0.019 4.489 4.470 -0.000 0.000 0.245 339 S C 0.617 175.234 174.600 0.028 0.000 1.021 339 S CA -0.674 57.516 58.200 -0.018 0.000 1.006 339 S CB 0.189 63.280 63.200 -0.181 0.000 0.830 339 S HN 0.343 nan 8.310 nan 0.000 0.468 340 T N 1.437 116.058 114.554 0.112 0.000 2.916 340 T HA 0.281 4.630 4.350 -0.000 0.000 0.303 340 T C -0.275 174.512 174.700 0.144 0.000 1.025 340 T CA -0.430 61.726 62.100 0.094 0.000 1.142 340 T CB 0.099 69.013 68.868 0.076 0.000 0.947 340 T HN 0.427 nan 8.240 nan 0.000 0.544 341 N N 2.015 120.762 118.700 0.078 0.000 2.424 341 N HA 0.403 5.143 4.740 -0.000 0.000 0.271 341 N C -0.463 175.074 175.510 0.045 0.000 0.985 341 N CA -0.740 52.353 53.050 0.071 0.000 0.921 341 N CB 1.162 39.643 38.487 -0.010 0.000 1.149 341 N HN 0.490 nan 8.380 nan 0.000 0.492 342 L N 1.529 122.780 121.223 0.046 0.000 2.417 342 L HA 0.288 4.627 4.340 -0.000 0.000 0.268 342 L C 0.469 177.350 176.870 0.019 0.000 1.158 342 L CA -0.029 54.828 54.840 0.029 0.000 0.819 342 L CB 0.729 42.801 42.059 0.021 0.000 1.112 342 L HN 0.420 nan 8.230 nan 0.000 0.458 343 T N 3.696 118.267 114.554 0.027 0.000 2.770 343 T HA 0.602 4.951 4.350 -0.000 0.000 0.283 343 T C -0.256 174.478 174.700 0.058 0.000 0.988 343 T CA -0.219 61.904 62.100 0.039 0.000 0.957 343 T CB 0.775 69.663 68.868 0.034 0.000 0.930 343 T HN 0.255 nan 8.240 nan 0.000 0.443 344 I N 3.595 124.222 120.570 0.095 0.000 2.465 344 I HA 0.509 4.678 4.170 -0.000 0.000 0.291 344 I C -0.051 176.192 176.117 0.209 0.000 1.014 344 I CA -0.748 60.615 61.300 0.105 0.000 1.093 344 I CB 1.388 39.417 38.000 0.050 0.000 1.267 344 I HN 0.748 nan 8.210 nan 0.000 0.431 345 C N 4.177 123.594 119.300 0.194 0.000 2.482 345 C HA 0.964 5.424 4.460 -0.000 0.000 0.317 345 C C 0.053 175.209 174.990 0.275 0.000 1.197 345 C CA -0.574 58.614 59.018 0.283 0.000 1.432 345 C CB 0.418 28.305 27.740 0.246 0.000 2.062 345 C HN 0.852 nan 8.230 nan 0.000 0.471 346 A N 3.112 126.113 122.820 0.300 0.000 2.311 346 A HA 0.947 5.267 4.320 -0.000 0.000 0.334 346 A C 0.255 177.930 177.584 0.151 0.000 1.139 346 A CA -0.026 52.127 52.037 0.193 0.000 0.830 346 A CB 1.029 20.104 19.000 0.126 0.000 1.234 346 A HN 1.865 nan 8.150 nan 0.000 0.483 347 S N -0.275 115.402 115.700 -0.039 0.000 2.690 347 S HA 0.490 4.960 4.470 -0.000 0.000 0.291 347 S C 0.608 175.065 174.600 -0.237 0.000 1.138 347 S CA 0.211 58.174 58.200 -0.395 0.000 1.013 347 S CB 1.212 63.990 63.200 -0.704 0.000 1.053 347 S HN 0.580 nan 8.310 nan 0.000 0.539 348 T N 0.956 115.336 114.554 -0.290 0.000 2.937 348 T HA 0.081 4.431 4.350 -0.000 0.000 0.260 348 T C 0.560 175.177 174.700 -0.140 0.000 1.051 348 T CA 0.838 62.848 62.100 -0.151 0.000 1.141 348 T CB -0.170 68.624 68.868 -0.123 0.000 0.879 348 T HN 0.549 nan 8.240 nan 0.000 0.459 349 Q N 0.855 120.541 119.800 -0.191 0.000 2.312 349 Q HA 0.351 4.691 4.340 -0.000 0.000 0.236 349 Q C 1.356 177.290 176.000 -0.111 0.000 0.965 349 Q CA -0.075 55.649 55.803 -0.131 0.000 0.894 349 Q CB 1.242 29.900 28.738 -0.133 0.000 1.225 349 Q HN 0.157 nan 8.270 nan 0.000 0.478 350 S N 0.952 116.611 115.700 -0.069 0.000 2.371 350 S HA -0.011 4.459 4.470 -0.000 0.000 0.221 350 S C -0.835 173.742 174.600 -0.038 0.000 1.036 350 S CA 0.461 58.632 58.200 -0.047 0.000 0.965 350 S CB -0.749 62.432 63.200 -0.031 0.000 0.845 350 S HN 0.480 nan 8.310 nan 0.000 0.475 351 P HA 0.206 nan 4.420 nan 0.000 0.223 351 P C -0.271 177.021 177.300 -0.014 0.000 1.151 351 P CA 0.512 63.602 63.100 -0.017 0.000 0.787 351 P CB -0.019 31.674 31.700 -0.012 0.000 0.788 352 V N -0.877 119.012 119.914 -0.041 0.000 5.931 352 V HA -0.101 4.018 4.120 -0.000 0.000 0.317 352 V C -2.127 173.979 176.094 0.020 0.000 0.562 352 V CA -0.825 61.453 62.300 -0.035 0.000 1.035 352 V CB -2.321 29.515 31.823 0.022 0.000 1.148 352 V HN 0.257 nan 8.190 nan 0.000 0.523 353 P HA 0.113 nan 4.420 nan 0.000 0.269 353 P C 1.245 178.598 177.300 0.088 0.000 1.211 353 P CA 0.857 63.979 63.100 0.037 0.000 0.781 353 P CB 0.746 32.458 31.700 0.019 0.000 0.877 354 G N 0.347 109.193 108.800 0.077 0.000 2.956 354 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.207 354 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.207 354 G C 0.573 175.538 174.900 0.109 0.000 1.162 354 G CA 0.282 45.436 45.100 0.090 0.000 0.796 354 G HN 0.522 nan 8.290 nan 0.000 0.527 355 Q N -0.205 119.665 119.800 0.117 0.000 2.333 355 Q HA 0.460 4.800 4.340 -0.000 0.000 0.268 355 Q C -1.325 174.789 176.000 0.189 0.000 1.007 355 Q CA -1.062 54.819 55.803 0.130 0.000 0.810 355 Q CB 1.175 29.961 28.738 0.080 0.000 1.264 355 Q HN 0.277 nan 8.270 nan 0.000 0.452 356 Y N 3.075 123.435 120.300 0.099 0.000 2.377 356 Y HA 0.385 4.935 4.550 -0.000 0.000 0.330 356 Y C -0.925 175.059 175.900 0.141 0.000 1.108 356 Y CA 0.050 58.232 58.100 0.136 0.000 1.308 356 Y CB 0.898 39.384 38.460 0.042 0.000 1.216 356 Y HN 0.575 nan 8.280 nan 0.000 0.518 357 D N 5.103 125.226 120.400 -0.462 0.000 2.476 357 D HA 0.353 4.992 4.640 -0.000 0.000 0.251 357 D C 0.525 176.528 176.300 -0.496 0.000 1.291 357 D CA 0.204 53.945 54.000 -0.432 0.000 0.939 357 D CB 1.508 42.235 40.800 -0.122 0.000 1.221 357 D HN 0.806 nan 8.370 nan 0.000 0.567 358 A N 2.871 125.293 122.820 -0.664 0.000 1.894 358 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 358 A C 2.109 179.692 177.584 -0.003 0.000 1.237 358 A CA 3.217 55.082 52.037 -0.287 0.000 0.660 358 A CB -1.423 17.515 19.000 -0.103 0.000 0.835 358 A HN 0.713 nan 8.150 nan 0.000 0.461 359 T N -2.411 112.129 114.554 -0.022 0.000 2.778 359 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 359 T C 1.646 176.360 174.700 0.022 0.000 1.050 359 T CA 1.859 63.963 62.100 0.007 0.000 1.137 359 T CB -0.358 68.500 68.868 -0.017 0.000 0.860 359 T HN 0.488 nan 8.240 nan 0.000 0.468 360 K N -0.051 120.359 120.400 0.018 0.000 2.555 360 K HA 0.119 4.438 4.320 -0.000 0.000 0.193 360 K C -0.850 175.594 176.600 -0.260 0.000 1.032 360 K CA 0.138 56.363 56.287 -0.103 0.000 1.004 360 K CB -0.087 32.319 32.500 -0.156 0.000 0.804 360 K HN 0.427 nan 8.250 nan 0.000 0.496 361 F N 0.520 120.443 119.950 -0.044 0.000 2.540 361 F HA 0.371 4.898 4.527 -0.000 0.000 0.317 361 F C -0.210 175.597 175.800 0.012 0.000 1.104 361 F CA -1.027 56.980 58.000 0.011 0.000 0.913 361 F CB 1.495 40.519 39.000 0.040 0.000 1.170 361 F HN -0.413 nan 8.300 nan 0.000 0.450 362 K N 1.806 122.340 120.400 0.223 0.000 2.156 362 K HA 0.447 4.767 4.320 -0.000 0.000 0.271 362 K C -0.796 175.878 176.600 0.124 0.000 0.995 362 K CA -0.972 55.373 56.287 0.098 0.000 0.890 362 K CB 1.588 34.122 32.500 0.057 0.000 1.073 362 K HN 0.479 nan 8.250 nan 0.000 0.454 363 Q N 2.327 122.085 119.800 -0.070 0.000 2.314 363 Q HA 0.301 4.641 4.340 -0.000 0.000 0.259 363 Q C -1.667 174.224 176.000 -0.182 0.000 0.951 363 Q CA -0.245 55.553 55.803 -0.008 0.000 0.909 363 Q CB 0.718 29.452 28.738 -0.006 0.000 1.236 363 Q HN 0.373 nan 8.270 nan 0.000 0.444 364 Y N 0.031 120.345 120.300 0.022 0.000 2.598 364 Y HA 0.702 5.252 4.550 -0.000 0.000 0.340 364 Y C -0.172 175.697 175.900 -0.051 0.000 1.038 364 Y CA -1.149 56.945 58.100 -0.011 0.000 1.100 364 Y CB 2.372 40.827 38.460 -0.008 0.000 1.281 364 Y HN 0.466 nan 8.280 nan 0.000 0.488 365 S N 1.870 117.609 115.700 0.065 0.000 2.594 365 S HA 0.725 5.195 4.470 -0.000 0.000 0.296 365 S C -1.361 173.170 174.600 -0.115 0.000 1.124 365 S CA -0.753 57.403 58.200 -0.074 0.000 1.011 365 S CB 0.389 63.438 63.200 -0.251 0.000 1.016 365 S HN 0.565 nan 8.310 nan 0.000 0.485 366 R N 3.147 123.608 120.500 -0.064 0.000 2.574 366 R HA 0.355 4.695 4.340 -0.000 0.000 0.288 366 R C -1.026 175.290 176.300 0.027 0.000 1.004 366 R CA -0.620 55.456 56.100 -0.040 0.000 0.895 366 R CB 1.364 31.648 30.300 -0.026 0.000 1.191 366 R HN 0.850 nan 8.270 nan 0.000 0.444 367 H N 1.558 120.582 119.070 -0.076 0.000 2.499 367 H HA 0.564 5.120 4.556 -0.000 0.000 0.340 367 H C -0.858 174.470 175.328 -0.001 0.000 1.148 367 H CA -0.756 55.270 56.048 -0.035 0.000 1.215 367 H CB 1.796 31.543 29.762 -0.025 0.000 1.529 367 H HN 0.161 nan 8.280 nan 0.000 0.510 368 V N 3.114 122.705 119.914 -0.539 0.000 3.019 368 V HA 0.258 4.378 4.120 -0.000 0.000 0.317 368 V C -0.590 175.201 176.094 -0.506 0.000 1.094 368 V CA -0.649 61.424 62.300 -0.378 0.000 1.000 368 V CB 2.006 33.723 31.823 -0.177 0.000 1.060 368 V HN 0.766 nan 8.190 nan 0.000 0.443 369 E N 1.409 121.517 120.200 -0.154 0.000 2.290 369 E HA 0.484 4.834 4.350 -0.000 0.000 0.274 369 E C -1.308 175.362 176.600 0.117 0.000 0.889 369 E CA -0.434 55.966 56.400 0.000 0.000 0.760 369 E CB 1.925 31.764 29.700 0.232 0.000 1.206 369 E HN 0.709 nan 8.360 nan 0.000 0.419 370 E N 3.744 123.927 120.200 -0.030 0.000 2.283 370 E HA 0.338 4.688 4.350 -0.000 0.000 0.258 370 E C -1.389 175.092 176.600 -0.199 0.000 0.893 370 E CA -0.490 55.898 56.400 -0.021 0.000 0.798 370 E CB 0.697 30.361 29.700 -0.059 0.000 1.242 370 E HN 0.425 nan 8.360 nan 0.000 0.414 371 Y N 1.580 121.821 120.300 -0.100 0.000 2.630 371 Y HA 0.495 5.045 4.550 -0.000 0.000 0.337 371 Y C -0.235 175.508 175.900 -0.262 0.000 1.051 371 Y CA -0.755 57.204 58.100 -0.236 0.000 1.121 371 Y CB 1.840 40.073 38.460 -0.379 0.000 1.299 371 Y HN 0.414 nan 8.280 nan 0.000 0.498 372 D N 1.367 121.679 120.400 -0.146 0.000 2.688 372 D HA 0.238 4.878 4.640 -0.000 0.000 0.210 372 D C -2.026 174.104 176.300 -0.285 0.000 1.333 372 D CA -0.218 53.672 54.000 -0.183 0.000 0.920 372 D CB 0.936 41.662 40.800 -0.122 0.000 1.554 372 D HN 0.543 nan 8.370 nan 0.000 0.579 373 L N 2.209 123.228 121.223 -0.341 0.000 2.322 373 L HA 0.563 4.903 4.340 -0.000 0.000 0.279 373 L C 0.123 176.704 176.870 -0.482 0.000 1.036 373 L CA -0.720 53.834 54.840 -0.477 0.000 0.807 373 L CB 1.750 43.576 42.059 -0.387 0.000 1.226 373 L HN 0.324 nan 8.230 nan 0.000 0.433 374 Q N 2.685 121.959 119.800 -0.876 0.000 2.315 374 Q HA 0.665 5.004 4.340 -0.000 0.000 0.273 374 Q C -1.692 173.639 176.000 -1.116 0.000 1.053 374 Q CA -0.556 54.833 55.803 -0.690 0.000 0.817 374 Q CB 2.962 31.460 28.738 -0.401 0.000 1.326 374 Q HN 0.355 nan 8.270 nan 0.000 0.423 375 F N 0.803 120.332 119.950 -0.701 0.000 2.629 375 F HA 0.613 5.140 4.527 -0.000 0.000 0.316 375 F C -0.536 174.707 175.800 -0.929 0.000 1.081 375 F CA -1.119 56.364 58.000 -0.861 0.000 0.954 375 F CB 1.355 39.640 39.000 -1.192 0.000 1.337 375 F HN 0.282 nan 8.300 nan 0.000 0.474 376 I N 2.242 122.424 120.570 -0.647 0.000 2.439 376 I HA 0.354 4.524 4.170 -0.000 0.000 0.285 376 I C -1.114 174.673 176.117 -0.551 0.000 1.021 376 I CA -0.822 60.146 61.300 -0.554 0.000 1.091 376 I CB 1.158 38.817 38.000 -0.568 0.000 1.242 376 I HN 0.430 nan 8.210 nan 0.000 0.439 377 F N 3.900 123.717 119.950 -0.221 0.000 2.492 377 F HA 0.482 5.008 4.527 -0.000 0.000 0.327 377 F C 0.535 176.453 175.800 0.197 0.000 1.079 377 F CA -0.700 57.241 58.000 -0.099 0.000 0.967 377 F CB 1.788 40.541 39.000 -0.412 0.000 1.169 377 F HN 0.361 nan 8.300 nan 0.000 0.472 378 Q N 3.097 123.205 119.800 0.513 0.000 2.333 378 Q HA 0.424 4.764 4.340 -0.000 0.000 0.265 378 Q C -1.306 174.895 176.000 0.334 0.000 0.989 378 Q CA -1.138 54.828 55.803 0.273 0.000 0.842 378 Q CB 1.712 30.509 28.738 0.098 0.000 1.262 378 Q HN 0.705 nan 8.270 nan 0.000 0.451 379 L N 3.931 125.335 121.223 0.301 0.000 2.453 379 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 379 L C -1.233 175.566 176.870 -0.117 0.000 1.182 379 L CA 0.615 55.477 54.840 0.037 0.000 0.858 379 L CB 0.463 42.538 42.059 0.027 0.000 1.120 379 L HN 0.838 nan 8.230 nan 0.000 0.474 380 C N 1.941 121.113 119.300 -0.215 0.000 3.154 380 C HA 0.853 5.313 4.460 -0.000 0.000 0.312 380 C C -0.062 174.798 174.990 -0.216 0.000 1.349 380 C CA -0.469 58.447 59.018 -0.170 0.000 1.518 380 C CB 2.025 29.693 27.740 -0.120 0.000 1.934 380 C HN 0.894 nan 8.230 nan 0.000 0.462 381 T N -0.646 113.829 114.554 -0.132 0.000 2.886 381 T HA 0.758 5.108 4.350 -0.000 0.000 0.292 381 T C -1.105 173.581 174.700 -0.023 0.000 1.012 381 T CA -0.394 61.637 62.100 -0.114 0.000 0.982 381 T CB 0.758 69.582 68.868 -0.073 0.000 1.018 381 T HN 0.533 nan 8.240 nan 0.000 0.451 382 I N 3.017 123.576 120.570 -0.017 0.000 2.382 382 I HA 0.264 4.433 4.170 -0.000 0.000 0.285 382 I C 0.029 176.178 176.117 0.053 0.000 1.007 382 I CA -0.827 60.528 61.300 0.092 0.000 1.142 382 I CB 1.697 39.823 38.000 0.210 0.000 1.289 382 I HN 0.673 nan 8.210 nan 0.000 0.453 383 T N 7.367 121.971 114.554 0.085 0.000 2.737 383 T HA 0.334 4.684 4.350 -0.000 0.000 0.296 383 T C 0.360 175.107 174.700 0.078 0.000 0.922 383 T CA -0.327 61.808 62.100 0.059 0.000 1.079 383 T CB 0.244 69.144 68.868 0.053 0.000 0.892 383 T HN 0.307 nan 8.240 nan 0.000 0.514 384 L N 5.222 126.478 121.223 0.055 0.000 2.407 384 L HA 0.286 4.626 4.340 -0.000 0.000 0.282 384 L C 1.301 178.204 176.870 0.056 0.000 1.110 384 L CA -0.388 54.500 54.840 0.080 0.000 0.863 384 L CB -0.335 41.769 42.059 0.074 0.000 1.207 384 L HN 0.740 nan 8.230 nan 0.000 0.454 385 T N -0.534 114.054 114.554 0.057 0.000 2.910 385 T HA 0.634 4.984 4.350 -0.000 0.000 0.287 385 T C 1.071 175.792 174.700 0.036 0.000 1.050 385 T CA -0.128 61.995 62.100 0.038 0.000 1.011 385 T CB 1.867 70.754 68.868 0.032 0.000 1.195 385 T HN 0.415 nan 8.240 nan 0.000 0.540 386 A N 1.665 124.500 122.820 0.025 0.000 1.859 386 A HA -0.225 4.094 4.320 -0.000 0.000 0.218 386 A C 1.876 179.474 177.584 0.023 0.000 1.242 386 A CA 2.806 54.856 52.037 0.021 0.000 0.661 386 A CB -1.830 17.179 19.000 0.015 0.000 0.842 386 A HN 1.046 nan 8.150 nan 0.000 0.455 387 D N -0.312 120.100 120.400 0.019 0.000 2.133 387 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 387 D C 1.572 177.888 176.300 0.027 0.000 0.997 387 D CA 1.457 55.470 54.000 0.021 0.000 0.840 387 D CB -1.071 39.733 40.800 0.008 0.000 0.947 387 D HN 0.192 nan 8.370 nan 0.000 0.452 388 V N 0.262 120.182 119.914 0.010 0.000 2.278 388 V HA -0.341 3.779 4.120 -0.000 0.000 0.251 388 V C 2.622 178.743 176.094 0.044 0.000 1.062 388 V CA 2.235 64.536 62.300 0.001 0.000 1.038 388 V CB -0.533 31.316 31.823 0.044 0.000 0.646 388 V HN 0.241 nan 8.190 nan 0.000 0.447 389 M N 0.174 119.805 119.600 0.052 0.000 2.175 389 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 389 M C 2.356 178.655 176.300 -0.001 0.000 1.063 389 M CA 1.977 57.303 55.300 0.043 0.000 1.119 389 M CB -0.290 32.340 32.600 0.050 0.000 1.377 389 M HN 0.590 nan 8.290 nan 0.000 0.415 390 S N -0.749 114.957 115.700 0.010 0.000 2.402 390 S HA -0.176 4.293 4.470 -0.000 0.000 0.229 390 S C 1.749 176.330 174.600 -0.031 0.000 1.021 390 S CA 0.790 58.983 58.200 -0.011 0.000 0.974 390 S CB -0.865 62.339 63.200 0.007 0.000 0.800 390 S HN 0.539 nan 8.310 nan 0.000 0.484 391 Y N 2.896 123.125 120.300 -0.119 0.000 2.070 391 Y HA -0.010 4.540 4.550 -0.000 0.000 0.279 391 Y C 2.132 177.908 175.900 -0.206 0.000 1.134 391 Y CA 1.481 59.485 58.100 -0.161 0.000 1.113 391 Y CB -0.533 37.775 38.460 -0.253 0.000 0.981 391 Y HN 0.152 nan 8.280 nan 0.000 0.487 392 I N 0.298 120.766 120.570 -0.170 0.000 2.315 392 I HA -0.343 3.827 4.170 -0.000 0.000 0.251 392 I C 2.305 178.206 176.117 -0.359 0.000 1.125 392 I CA 1.684 62.796 61.300 -0.312 0.000 1.392 392 I CB -0.713 37.173 38.000 -0.190 0.000 1.065 392 I HN 0.369 nan 8.210 nan 0.000 0.424 393 Q N 1.546 121.202 119.800 -0.239 0.000 1.948 393 Q HA -0.178 4.162 4.340 -0.000 0.000 0.205 393 Q C 2.364 178.221 176.000 -0.238 0.000 0.992 393 Q CA 2.720 58.402 55.803 -0.201 0.000 0.849 393 Q CB -0.429 28.238 28.738 -0.119 0.000 0.918 393 Q HN 0.351 nan 8.270 nan 0.000 0.421 394 S N 0.129 115.691 115.700 -0.230 0.000 2.372 394 S HA -0.290 4.180 4.470 -0.000 0.000 0.227 394 S C 1.830 176.249 174.600 -0.302 0.000 1.044 394 S CA 1.740 59.811 58.200 -0.215 0.000 1.050 394 S CB -0.530 62.557 63.200 -0.188 0.000 0.901 394 S HN 0.520 nan 8.310 nan 0.000 0.447 395 M N 0.970 120.254 119.600 -0.528 0.000 2.126 395 M HA -0.103 4.377 4.480 -0.000 0.000 0.259 395 M C 0.596 176.500 176.300 -0.659 0.000 1.073 395 M CA 1.666 56.466 55.300 -0.833 0.000 1.103 395 M CB 0.020 31.992 32.600 -1.047 0.000 1.284 395 M HN 0.290 nan 8.290 nan 0.000 0.420 396 N N -0.418 117.959 118.700 -0.539 0.000 2.732 396 N HA 0.088 4.828 4.740 -0.000 0.000 0.247 396 N C 0.424 175.735 175.510 -0.333 0.000 1.305 396 N CA 0.255 53.069 53.050 -0.394 0.000 0.762 396 N CB 0.839 39.090 38.487 -0.392 0.000 1.361 396 N HN 0.328 nan 8.380 nan 0.000 0.545 397 S N 0.650 116.195 115.700 -0.258 0.000 2.421 397 S HA -0.302 4.168 4.470 -0.000 0.000 0.239 397 S C 1.880 176.348 174.600 -0.220 0.000 1.054 397 S CA 1.993 60.062 58.200 -0.218 0.000 1.035 397 S CB -0.596 62.512 63.200 -0.154 0.000 0.840 397 S HN 0.638 nan 8.310 nan 0.000 0.475 398 S N 1.993 117.592 115.700 -0.168 0.000 2.469 398 S HA 0.048 4.518 4.470 -0.000 0.000 0.238 398 S C 1.713 176.153 174.600 -0.266 0.000 0.998 398 S CA 0.974 59.113 58.200 -0.102 0.000 0.957 398 S CB -0.882 62.351 63.200 0.055 0.000 0.764 398 S HN 0.623 nan 8.310 nan 0.000 0.514 399 I N 1.394 121.729 120.570 -0.391 0.000 2.113 399 I HA -0.163 4.007 4.170 -0.000 0.000 0.238 399 I C 2.450 177.878 176.117 -1.147 0.000 1.070 399 I CA 1.389 62.217 61.300 -0.786 0.000 1.332 399 I CB -0.500 37.013 38.000 -0.811 0.000 1.044 399 I HN 0.287 nan 8.210 nan 0.000 0.402 400 L N 0.345 121.099 121.223 -0.782 0.000 2.131 400 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 400 L C 2.515 179.224 176.870 -0.270 0.000 1.092 400 L CA 1.270 55.830 54.840 -0.468 0.000 0.759 400 L CB -0.513 41.430 42.059 -0.194 0.000 0.903 400 L HN 0.303 nan 8.230 nan 0.000 0.435 401 E N 0.061 120.100 120.200 -0.268 0.000 2.110 401 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 401 E C 1.484 178.007 176.600 -0.129 0.000 0.988 401 E CA 1.314 57.623 56.400 -0.151 0.000 0.804 401 E CB 0.176 29.799 29.700 -0.129 0.000 0.745 401 E HN 0.415 nan 8.360 nan 0.000 0.458 402 D N -0.886 119.361 120.400 -0.255 0.000 2.277 402 D HA -0.112 4.527 4.640 -0.000 0.000 0.208 402 D C 1.020 177.347 176.300 0.045 0.000 0.962 402 D CA 0.514 54.418 54.000 -0.160 0.000 0.865 402 D CB -0.113 40.498 40.800 -0.316 0.000 0.939 402 D HN 0.363 nan 8.370 nan 0.000 0.510 403 W N 1.409 122.666 121.300 -0.072 0.000 2.937 403 W HA 0.119 4.779 4.660 0.000 0.000 0.245 403 W C 0.477 176.980 176.519 -0.028 0.000 1.306 403 W CA -0.193 57.127 57.345 -0.040 0.000 1.470 403 W CB -1.035 28.409 29.460 -0.026 0.000 1.132 403 W HN -0.102 nan 8.180 nan 0.000 0.675 439 K N 0.935 121.330 120.400 -0.008 0.000 2.227 439 K HA 0.247 4.567 4.320 -0.000 0.000 0.280 439 K C -0.653 175.929 176.600 -0.030 0.000 1.041 439 K CA -0.344 55.933 56.287 -0.015 0.000 0.905 439 K CB 0.562 33.047 32.500 -0.025 0.000 1.068 439 K HN 0.349 nan 8.250 nan 0.000 0.470 440 D N 4.602 124.990 120.400 -0.021 0.000 2.232 440 D HA 0.130 4.770 4.640 -0.000 0.000 0.242 440 D C -1.567 174.658 176.300 -0.125 0.000 1.093 440 D CA -1.957 52.012 54.000 -0.052 0.000 0.845 440 D CB 1.411 42.234 40.800 0.037 0.000 1.124 440 D HN 0.261 nan 8.370 nan 0.000 0.467 441 P HA -0.129 nan 4.420 nan 0.000 0.226 441 P C 0.394 177.507 177.300 -0.312 0.000 1.146 441 P CA 0.936 63.811 63.100 -0.375 0.000 0.773 441 P CB -0.118 31.245 31.700 -0.562 0.000 0.772 442 Y N -0.942 119.410 120.300 0.087 0.000 2.555 442 Y HA 0.146 4.696 4.550 -0.000 0.000 0.259 442 Y C 1.603 177.569 175.900 0.110 0.000 1.179 442 Y CA -0.599 57.592 58.100 0.152 0.000 1.230 442 Y CB -0.115 38.566 38.460 0.369 0.000 1.146 442 Y HN -0.136 nan 8.280 nan 0.000 0.526 443 D N 0.493 120.986 120.400 0.155 0.000 2.348 443 D HA -0.101 4.539 4.640 -0.000 0.000 0.216 443 D C 1.719 178.044 176.300 0.042 0.000 0.970 443 D CA 0.834 54.894 54.000 0.101 0.000 0.889 443 D CB 0.219 41.055 40.800 0.059 0.000 0.912 443 D HN 0.222 nan 8.370 nan 0.000 0.524 444 K N -0.031 120.387 120.400 0.030 0.000 2.167 444 K HA 0.070 4.389 4.320 -0.000 0.000 0.203 444 K C 1.051 177.604 176.600 -0.077 0.000 1.052 444 K CA 0.187 56.465 56.287 -0.015 0.000 0.956 444 K CB 0.186 32.681 32.500 -0.009 0.000 0.735 444 K HN 0.219 nan 8.250 nan 0.000 0.451 445 L N 2.157 123.299 121.223 -0.136 0.000 2.375 445 L HA 0.159 4.498 4.340 -0.000 0.000 0.271 445 L C 0.438 176.974 176.870 -0.556 0.000 1.107 445 L CA -0.711 53.913 54.840 -0.361 0.000 0.806 445 L CB 0.583 42.360 42.059 -0.471 0.000 1.146 445 L HN -0.188 nan 8.230 nan 0.000 0.447 446 K N 2.974 123.051 120.400 -0.538 0.000 2.234 446 K HA 0.565 4.885 4.320 -0.000 0.000 0.282 446 K C -0.877 175.433 176.600 -0.483 0.000 1.039 446 K CA 0.110 56.169 56.287 -0.379 0.000 0.928 446 K CB 1.050 33.435 32.500 -0.191 0.000 1.039 446 K HN 0.329 nan 8.250 nan 0.000 0.470 447 F N 0.186 120.165 119.950 0.048 0.000 2.662 447 F HA 0.274 4.801 4.527 -0.000 0.000 0.312 447 F C -0.489 175.370 175.800 0.099 0.000 1.113 447 F CA -1.268 56.774 58.000 0.070 0.000 0.951 447 F CB 1.633 40.697 39.000 0.108 0.000 1.344 447 F HN 0.389 nan 8.300 nan 0.000 0.462 448 W N 4.310 125.663 121.300 0.089 0.000 2.288 448 W HA 0.343 5.003 4.660 -0.000 0.000 0.325 448 W C -1.047 175.518 176.519 0.077 0.000 1.019 448 W CA -1.214 56.129 57.345 -0.003 0.000 1.403 448 W CB 0.318 29.643 29.460 -0.225 0.000 1.226 448 W HN 0.387 nan 8.180 nan 0.000 0.391 449 N N 4.635 123.601 118.700 0.443 0.000 2.438 449 N HA 0.063 4.803 4.740 -0.000 0.000 0.267 449 N C -0.698 175.024 175.510 0.354 0.000 1.222 449 N CA 0.196 53.430 53.050 0.308 0.000 0.930 449 N CB 1.590 40.193 38.487 0.193 0.000 1.083 449 N HN 0.087 nan 8.380 nan 0.000 0.476 450 V N 2.250 122.292 119.914 0.214 0.000 2.334 450 V HA 0.098 4.217 4.120 -0.000 0.000 0.281 450 V C 0.253 176.376 176.094 0.049 0.000 1.016 450 V CA -0.860 61.522 62.300 0.136 0.000 0.832 450 V CB 1.531 33.391 31.823 0.061 0.000 0.999 450 V HN 0.503 nan 8.190 nan 0.000 0.439 451 D N 5.083 125.521 120.400 0.063 0.000 2.380 451 D HA 0.286 4.926 4.640 -0.000 0.000 0.230 451 D C 0.353 176.664 176.300 0.019 0.000 1.154 451 D CA -0.129 53.886 54.000 0.025 0.000 0.859 451 D CB 1.428 42.252 40.800 0.040 0.000 1.045 451 D HN 0.494 nan 8.370 nan 0.000 0.495 452 L N 3.843 125.058 121.223 -0.013 0.000 2.818 452 L HA 0.160 4.499 4.340 -0.000 0.000 0.243 452 L C 1.910 178.791 176.870 0.018 0.000 1.185 452 L CA -0.190 54.671 54.840 0.036 0.000 0.988 452 L CB 0.245 42.339 42.059 0.059 0.000 1.292 452 L HN 0.135 nan 8.230 nan 0.000 0.519 453 K N 0.322 120.672 120.400 -0.084 0.000 2.147 453 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 453 K C 0.962 177.528 176.600 -0.057 0.000 1.049 453 K CA 0.903 57.082 56.287 -0.180 0.000 0.936 453 K CB 0.156 32.581 32.500 -0.124 0.000 0.722 453 K HN 0.184 nan 8.250 nan 0.000 0.446 454 E N 0.595 120.818 120.200 0.038 0.000 2.394 454 E HA 0.042 4.392 4.350 -0.000 0.000 0.191 454 E C 0.384 177.077 176.600 0.156 0.000 1.044 454 E CA 0.261 56.721 56.400 0.100 0.000 0.939 454 E CB 0.598 30.352 29.700 0.089 0.000 1.089 454 E HN 0.188 nan 8.360 nan 0.000 0.456 455 K N -0.068 120.453 120.400 0.203 0.000 2.438 455 K HA 0.176 4.496 4.320 -0.000 0.000 0.206 455 K C 0.175 176.950 176.600 0.293 0.000 1.081 455 K CA -0.304 56.115 56.287 0.221 0.000 1.053 455 K CB 0.618 33.209 32.500 0.151 0.000 0.908 455 K HN -0.046 nan 8.250 nan 0.000 0.556 456 F N 1.661 121.627 119.950 0.027 0.000 2.459 456 F HA 0.189 4.715 4.527 -0.000 0.000 0.346 456 F C 1.031 177.019 175.800 0.313 0.000 1.128 456 F CA -0.172 57.889 58.000 0.100 0.000 1.268 456 F CB 0.971 39.921 39.000 -0.083 0.000 1.161 456 F HN -0.242 nan 8.300 nan 0.000 0.583 457 S N 2.135 118.105 115.700 0.450 0.000 2.564 457 S HA 0.578 5.048 4.470 -0.000 0.000 0.274 457 S C 0.232 174.996 174.600 0.273 0.000 1.124 457 S CA -0.655 57.782 58.200 0.397 0.000 0.869 457 S CB 1.089 64.477 63.200 0.314 0.000 1.105 457 S HN 0.591 nan 8.310 nan 0.000 0.472 458 L N 1.266 122.568 121.223 0.132 0.000 2.463 458 L HA 0.244 4.584 4.340 -0.000 0.000 0.219 458 L C -0.273 176.612 176.870 0.024 0.000 1.088 458 L CA 0.271 55.048 54.840 -0.106 0.000 0.849 458 L CB -0.054 41.899 42.059 -0.175 0.000 1.012 458 L HN 0.614 nan 8.230 nan 0.000 0.468 459 D N 0.265 120.735 120.400 0.116 0.000 2.468 459 D HA 0.145 4.785 4.640 -0.000 0.000 0.218 459 D C 1.234 177.639 176.300 0.176 0.000 1.155 459 D CA -0.211 53.855 54.000 0.109 0.000 0.924 459 D CB 0.374 41.212 40.800 0.063 0.000 1.029 459 D HN 0.021 nan 8.370 nan 0.000 0.515 460 L N 0.707 122.032 121.223 0.169 0.000 2.013 460 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 460 L C 1.944 178.915 176.870 0.167 0.000 1.073 460 L CA 1.681 56.647 54.840 0.210 0.000 0.753 460 L CB -0.512 41.674 42.059 0.211 0.000 0.890 460 L HN 0.360 nan 8.230 nan 0.000 0.432 461 D N -0.316 120.138 120.400 0.091 0.000 2.248 461 D HA -0.272 4.367 4.640 -0.000 0.000 0.191 461 D C 2.069 178.339 176.300 -0.050 0.000 1.013 461 D CA 1.483 55.496 54.000 0.022 0.000 0.883 461 D CB 0.098 40.901 40.800 0.005 0.000 0.915 461 D HN 0.242 nan 8.370 nan 0.000 0.448 462 Q N -1.156 118.570 119.800 -0.123 0.000 2.482 462 Q HA 0.030 4.370 4.340 -0.000 0.000 0.209 462 Q C -0.499 175.079 176.000 -0.704 0.000 0.961 462 Q CA 0.514 56.072 55.803 -0.408 0.000 0.945 462 Q CB 0.221 28.621 28.738 -0.564 0.000 1.012 462 Q HN 0.521 nan 8.270 nan 0.000 0.515 463 Y N -0.551 119.645 120.300 -0.173 0.000 2.536 463 Y HA 0.227 4.776 4.550 -0.001 0.000 0.347 463 Y C -1.507 174.342 175.900 -0.086 0.000 1.000 463 Y CA -2.424 55.535 58.100 -0.234 0.000 1.051 463 Y CB 1.499 39.538 38.460 -0.702 0.000 1.259 463 Y HN -0.160 nan 8.280 nan 0.000 0.468 464 P HA -0.254 nan 4.420 nan 0.000 0.211 464 P C 1.697 179.077 177.300 0.134 0.000 1.181 464 P CA 1.645 64.797 63.100 0.087 0.000 0.929 464 P CB 0.528 32.265 31.700 0.062 0.000 0.789 465 L N -0.807 120.516 121.223 0.167 0.000 2.131 465 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 465 L C 2.557 179.608 176.870 0.302 0.000 1.092 465 L CA 1.851 56.793 54.840 0.170 0.000 0.759 465 L CB -1.289 40.801 42.059 0.052 0.000 0.903 465 L HN 0.050 nan 8.230 nan 0.000 0.435 466 G N 0.176 109.166 108.800 0.317 0.000 2.545 466 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 466 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 466 G C 1.567 176.616 174.900 0.248 0.000 1.218 466 G CA 0.911 46.186 45.100 0.292 0.000 0.787 466 G HN 0.372 nan 8.290 nan 0.000 0.571 467 R N 0.296 120.894 120.500 0.163 0.000 2.081 467 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 467 R C 2.651 179.012 176.300 0.102 0.000 1.131 467 R CA 1.344 57.501 56.100 0.095 0.000 0.960 467 R CB -0.306 30.024 30.300 0.050 0.000 0.856 467 R HN 0.292 nan 8.270 nan 0.000 0.436 468 K N 0.157 120.663 120.400 0.177 0.000 2.057 468 K HA -0.160 4.159 4.320 -0.000 0.000 0.207 468 K C 1.844 178.584 176.600 0.233 0.000 1.049 468 K CA 1.382 57.811 56.287 0.236 0.000 0.931 468 K CB -0.237 32.456 32.500 0.322 0.000 0.714 468 K HN 0.059 nan 8.250 nan 0.000 0.440 469 F N 1.569 121.589 119.950 0.116 0.000 2.216 469 F HA -0.155 4.372 4.527 -0.001 0.000 0.300 469 F C 1.579 177.135 175.800 -0.406 0.000 1.085 469 F CA 1.230 58.992 58.000 -0.396 0.000 1.326 469 F CB -0.073 38.812 39.000 -0.190 0.000 1.027 469 F HN -0.074 nan 8.300 nan 0.000 0.497 470 L N -1.005 120.072 121.223 -0.243 0.000 2.056 470 L HA -0.192 4.147 4.340 -0.000 0.000 0.207 470 L C 2.372 179.031 176.870 -0.352 0.000 1.078 470 L CA 0.905 55.547 54.840 -0.330 0.000 0.749 470 L CB -0.800 41.201 42.059 -0.097 0.000 0.901 470 L HN -0.012 nan 8.230 nan 0.000 0.433 471 V N -0.197 119.576 119.914 -0.235 0.000 2.214 471 V HA -0.381 3.738 4.120 -0.000 0.000 0.247 471 V C 2.496 178.403 176.094 -0.312 0.000 1.051 471 V CA 2.243 64.421 62.300 -0.203 0.000 1.003 471 V CB -0.813 30.947 31.823 -0.107 0.000 0.635 471 V HN 0.575 nan 8.190 nan 0.000 0.447 472 Q N 0.207 119.755 119.800 -0.419 0.000 2.268 472 Q HA -0.265 4.074 4.340 -0.000 0.000 0.210 472 Q C 2.065 177.719 176.000 -0.576 0.000 0.988 472 Q CA 2.275 57.766 55.803 -0.520 0.000 0.883 472 Q CB -0.293 27.924 28.738 -0.868 0.000 0.911 472 Q HN 0.662 nan 8.270 nan 0.000 0.430 473 A N -0.790 121.593 122.820 -0.729 0.000 2.119 473 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 473 A C 1.695 179.062 177.584 -0.362 0.000 1.153 473 A CA 1.628 53.277 52.037 -0.646 0.000 0.692 473 A CB -0.276 18.179 19.000 -0.908 0.000 0.799 473 A HN 0.659 nan 8.150 nan 0.000 0.458 474 G N -1.090 107.532 108.800 -0.297 0.000 2.493 474 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.206 474 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.206 474 G C 0.434 175.242 174.900 -0.155 0.000 1.109 474 G CA -0.044 44.943 45.100 -0.189 0.000 0.689 474 G HN 1.109 nan 8.290 nan 0.000 0.516 475 L N 0.000 121.126 121.223 -0.161 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.773 54.840 -0.111 0.000 0.813 475 L CB 0.000 42.005 42.059 -0.090 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502