REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ofl_1_N DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.630 177.584 0.077 0.000 1.274 20 A CA 0.000 52.059 52.037 0.037 0.000 0.836 20 A CB 0.000 19.029 19.000 0.047 0.000 0.831 21 V N 1.771 121.688 119.914 0.005 0.000 2.881 21 V HA 0.558 4.678 4.120 -0.000 0.000 0.303 21 V C 0.337 176.389 176.094 -0.069 0.000 1.070 21 V CA -0.245 62.063 62.300 0.013 0.000 1.074 21 V CB 1.425 33.147 31.823 -0.169 0.000 1.012 21 V HN 0.830 nan 8.190 nan 0.000 0.482 22 V N 2.252 122.216 119.914 0.085 0.000 2.876 22 V HA 0.387 4.507 4.120 -0.000 0.000 0.312 22 V C 0.039 176.153 176.094 0.032 0.000 1.085 22 V CA -1.091 61.186 62.300 -0.038 0.000 0.945 22 V CB 2.023 33.845 31.823 -0.001 0.000 1.017 22 V HN 0.851 nan 8.190 nan 0.000 0.428 23 N N 2.233 120.957 118.700 0.040 0.000 2.434 23 N HA -0.030 4.710 4.740 -0.000 0.000 0.268 23 N C 1.596 177.127 175.510 0.036 0.000 1.256 23 N CA 0.872 54.019 53.050 0.160 0.000 0.914 23 N CB 1.615 40.209 38.487 0.179 0.000 1.088 23 N HN 1.051 nan 8.380 nan 0.000 0.478 24 T N 0.450 114.996 114.554 -0.014 0.000 2.755 24 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 24 T C 0.844 175.292 174.700 -0.420 0.000 1.041 24 T CA 1.409 63.253 62.100 -0.426 0.000 1.147 24 T CB -0.083 68.672 68.868 -0.188 0.000 0.847 24 T HN 0.455 nan 8.240 nan 0.000 0.478 25 D N 1.405 121.711 120.400 -0.157 0.000 2.403 25 D HA -0.025 4.615 4.640 -0.000 0.000 0.227 25 D C 0.982 177.238 176.300 -0.073 0.000 0.995 25 D CA 0.726 54.666 54.000 -0.100 0.000 0.928 25 D CB -0.190 40.594 40.800 -0.027 0.000 0.887 25 D HN 0.538 nan 8.370 nan 0.000 0.529 26 D N -1.100 119.251 120.400 -0.081 0.000 2.389 26 D HA -0.012 4.628 4.640 -0.000 0.000 0.206 26 D C 1.006 177.358 176.300 0.086 0.000 1.055 26 D CA 0.268 54.280 54.000 0.019 0.000 0.856 26 D CB 0.258 41.097 40.800 0.064 0.000 0.957 26 D HN 0.465 nan 8.370 nan 0.000 0.509 27 Y N -2.165 118.136 120.300 0.002 0.000 2.717 27 Y HA 0.508 5.058 4.550 -0.000 0.000 0.250 27 Y C -0.498 175.440 175.900 0.064 0.000 1.149 27 Y CA -0.569 57.539 58.100 0.014 0.000 1.211 27 Y CB 0.279 38.722 38.460 -0.028 0.000 1.289 27 Y HN -0.319 nan 8.280 nan 0.000 0.552 28 V N 2.179 122.019 119.914 -0.123 0.000 2.380 28 V HA 0.269 4.389 4.120 -0.000 0.000 0.272 28 V C -0.181 175.872 176.094 -0.068 0.000 1.011 28 V CA -0.604 61.646 62.300 -0.083 0.000 0.826 28 V CB 1.008 32.707 31.823 -0.206 0.000 1.040 28 V HN 0.376 nan 8.190 nan 0.000 0.441 29 T N 5.042 119.581 114.554 -0.025 0.000 2.814 29 T HA 0.376 4.726 4.350 -0.000 0.000 0.297 29 T C 0.328 175.000 174.700 -0.047 0.000 0.956 29 T CA -0.209 61.876 62.100 -0.025 0.000 1.123 29 T CB 0.498 69.363 68.868 -0.006 0.000 0.902 29 T HN 0.494 nan 8.240 nan 0.000 0.528 30 R N 1.696 122.171 120.500 -0.040 0.000 2.457 30 R HA 0.512 4.852 4.340 -0.000 0.000 0.284 30 R C 1.219 177.486 176.300 -0.055 0.000 1.024 30 R CA -0.657 55.411 56.100 -0.054 0.000 1.025 30 R CB 0.872 31.156 30.300 -0.027 0.000 1.063 30 R HN 0.809 nan 8.270 nan 0.000 0.493 31 T N -2.212 112.282 114.554 -0.099 0.000 2.920 31 T HA 0.190 4.540 4.350 -0.000 0.000 0.292 31 T C 0.920 175.543 174.700 -0.128 0.000 1.093 31 T CA -0.390 61.657 62.100 -0.088 0.000 0.944 31 T CB 0.916 69.729 68.868 -0.092 0.000 1.605 31 T HN 0.525 nan 8.240 nan 0.000 0.590 32 S N -0.822 114.821 115.700 -0.096 0.000 2.730 32 S HA 0.328 4.798 4.470 -0.000 0.000 0.244 32 S C 0.006 174.558 174.600 -0.080 0.000 1.022 32 S CA -0.674 57.504 58.200 -0.037 0.000 1.014 32 S CB -0.206 63.057 63.200 0.105 0.000 0.963 32 S HN 0.544 nan 8.310 nan 0.000 0.540 33 I N 3.038 123.497 120.570 -0.185 0.000 2.337 33 I HA 0.479 4.649 4.170 -0.000 0.000 0.291 33 I C -0.666 175.383 176.117 -0.114 0.000 1.046 33 I CA -1.387 59.909 61.300 -0.008 0.000 1.324 33 I CB -0.868 37.220 38.000 0.146 0.000 1.409 33 I HN 0.147 nan 8.210 nan 0.000 0.494 34 F N 6.138 126.237 119.950 0.248 0.000 2.522 34 F HA 0.584 5.111 4.527 -0.000 0.000 0.324 34 F C -0.225 175.713 175.800 0.230 0.000 1.077 34 F CA -0.653 57.492 58.000 0.241 0.000 0.944 34 F CB 1.618 40.654 39.000 0.059 0.000 1.175 34 F HN 0.208 nan 8.300 nan 0.000 0.468 35 Y N 0.235 120.662 120.300 0.213 0.000 2.602 35 Y HA 0.431 4.981 4.550 -0.000 0.000 0.342 35 Y C -0.482 175.340 175.900 -0.131 0.000 1.029 35 Y CA -1.073 57.074 58.100 0.078 0.000 1.080 35 Y CB 1.648 40.166 38.460 0.098 0.000 1.284 35 Y HN 0.499 nan 8.280 nan 0.000 0.485 36 H N 1.082 120.050 119.070 -0.170 0.000 2.538 36 H HA 0.864 5.420 4.556 -0.000 0.000 0.353 36 H C -1.859 173.142 175.328 -0.544 0.000 1.109 36 H CA -0.751 55.064 56.048 -0.388 0.000 1.192 36 H CB 1.606 31.105 29.762 -0.437 0.000 1.555 36 H HN 0.830 nan 8.280 nan 0.000 0.518 37 A N 2.809 125.165 122.820 -0.772 0.000 2.515 37 A HA 0.738 5.058 4.320 -0.000 0.000 0.298 37 A C -0.819 176.511 177.584 -0.423 0.000 1.059 37 A CA -0.160 51.583 52.037 -0.491 0.000 0.698 37 A CB 1.885 20.435 19.000 -0.750 0.000 1.289 37 A HN 0.901 nan 8.150 nan 0.000 0.404 38 G N 0.250 108.986 108.800 -0.108 0.000 2.746 38 G HA2 0.623 4.583 3.960 -0.000 0.000 0.297 38 G HA3 0.623 4.583 3.960 -0.000 0.000 0.297 38 G C -0.239 174.669 174.900 0.013 0.000 1.426 38 G CA 0.249 45.318 45.100 -0.051 0.000 0.989 38 G HN 1.583 nan 8.290 nan 0.000 0.520 39 S N 0.376 116.061 115.700 -0.025 0.000 2.608 39 S HA 0.544 5.014 4.470 -0.000 0.000 0.261 39 S C 1.599 176.194 174.600 -0.008 0.000 1.314 39 S CA 0.489 58.673 58.200 -0.027 0.000 0.992 39 S CB 1.233 64.362 63.200 -0.118 0.000 0.935 39 S HN 1.498 nan 8.310 nan 0.000 0.564 40 S N 0.955 116.663 115.700 0.014 0.000 2.269 40 S HA 0.134 4.604 4.470 -0.000 0.000 0.167 40 S C 0.585 175.188 174.600 0.005 0.000 1.319 40 S CA -0.118 58.100 58.200 0.031 0.000 2.086 40 S CB -0.459 62.773 63.200 0.052 0.000 0.582 40 S HN 0.945 nan 8.310 nan 0.000 0.360 41 R N 0.464 120.976 120.500 0.021 0.000 2.521 41 R HA 0.439 4.779 4.340 -0.000 0.000 0.295 41 R C -1.641 174.693 176.300 0.057 0.000 1.183 41 R CA -0.443 55.665 56.100 0.013 0.000 0.957 41 R CB 0.393 30.706 30.300 0.021 0.000 1.171 41 R HN 0.538 nan 8.270 nan 0.000 0.494 42 L N 4.831 126.070 121.223 0.027 0.000 2.410 42 L HA 0.353 4.693 4.340 -0.000 0.000 0.273 42 L C -0.317 176.710 176.870 0.261 0.000 1.152 42 L CA -0.299 54.631 54.840 0.150 0.000 0.855 42 L CB 0.646 42.586 42.059 -0.199 0.000 1.129 42 L HN 0.471 nan 8.230 nan 0.000 0.463 43 L N 2.895 124.354 121.223 0.394 0.000 2.465 43 L HA 0.798 5.138 4.340 -0.000 0.000 0.257 43 L C -0.706 176.348 176.870 0.306 0.000 0.988 43 L CA 0.084 55.104 54.840 0.300 0.000 0.827 43 L CB 2.657 44.809 42.059 0.154 0.000 1.397 43 L HN 0.606 nan 8.230 nan 0.000 0.410 44 T N 2.558 117.237 114.554 0.210 0.000 3.289 44 T HA 0.629 4.979 4.350 -0.000 0.000 0.370 44 T C -1.715 173.002 174.700 0.029 0.000 1.546 44 T CA 0.091 62.249 62.100 0.097 0.000 1.144 44 T CB 0.720 69.627 68.868 0.066 0.000 1.379 44 T HN 1.197 nan 8.240 nan 0.000 0.478 45 V N 1.641 121.550 119.914 -0.009 0.000 3.001 45 V HA 1.131 5.251 4.120 -0.000 0.000 0.314 45 V C 0.314 176.389 176.094 -0.032 0.000 1.099 45 V CA 0.105 62.386 62.300 -0.032 0.000 0.989 45 V CB 1.335 33.143 31.823 -0.025 0.000 1.040 45 V HN 1.522 nan 8.190 nan 0.000 0.434 46 G N 0.660 109.441 108.800 -0.031 0.000 2.340 46 G HA2 0.301 4.261 3.960 -0.000 0.000 0.299 46 G HA3 0.301 4.261 3.960 -0.000 0.000 0.299 46 G C -1.942 172.925 174.900 -0.055 0.000 1.291 46 G CA -0.293 44.786 45.100 -0.034 0.000 0.841 46 G HN 0.962 nan 8.290 nan 0.000 0.500 47 D N 0.439 120.780 120.400 -0.098 0.000 2.345 47 D HA 0.305 4.945 4.640 -0.000 0.000 0.247 47 D C -1.272 174.879 176.300 -0.247 0.000 1.108 47 D CA -1.516 52.349 54.000 -0.224 0.000 0.894 47 D CB 2.294 42.895 40.800 -0.330 0.000 1.203 47 D HN 0.059 nan 8.370 nan 0.000 0.430 48 P HA -0.022 nan 4.420 nan 0.000 0.245 48 P C 0.496 177.650 177.300 -0.243 0.000 1.206 48 P CA 0.665 63.562 63.100 -0.340 0.000 0.781 48 P CB 0.110 31.503 31.700 -0.513 0.000 0.994 49 Y N -0.398 119.760 120.300 -0.236 0.000 2.535 49 Y HA 0.264 4.814 4.550 -0.000 0.000 0.264 49 Y C 0.821 176.687 175.900 -0.057 0.000 1.087 49 Y CA -0.749 57.245 58.100 -0.177 0.000 1.285 49 Y CB 0.484 38.813 38.460 -0.218 0.000 1.200 49 Y HN -0.178 nan 8.280 nan 0.000 0.514 50 F N -0.873 119.183 119.950 0.177 0.000 2.746 50 F HA 0.448 4.975 4.527 -0.000 0.000 0.311 50 F C -1.054 174.793 175.800 0.078 0.000 1.135 50 F CA -2.253 55.815 58.000 0.114 0.000 0.954 50 F CB 0.590 39.650 39.000 0.099 0.000 1.276 50 F HN -0.182 nan 8.300 nan 0.000 0.440 51 R N 0.943 121.620 120.500 0.295 0.000 2.543 51 R HA 0.698 5.038 4.340 -0.000 0.000 0.277 51 R C -1.449 175.027 176.300 0.294 0.000 1.074 51 R CA -0.713 55.503 56.100 0.193 0.000 1.076 51 R CB 1.109 31.480 30.300 0.119 0.000 0.993 51 R HN 0.534 nan 8.270 nan 0.000 0.459 52 V N 4.796 124.836 119.914 0.210 0.000 2.348 52 V HA 0.227 4.347 4.120 -0.000 0.000 0.270 52 V C -1.953 174.218 176.094 0.129 0.000 1.037 52 V CA -2.199 60.233 62.300 0.221 0.000 0.872 52 V CB 0.951 32.893 31.823 0.199 0.000 1.002 52 V HN 0.803 nan 8.190 nan 0.000 0.464 53 P HA 0.024 nan 4.420 nan 0.000 0.256 53 P C 0.323 177.657 177.300 0.057 0.000 1.173 53 P CA 0.468 63.608 63.100 0.066 0.000 0.768 53 P CB 0.264 31.994 31.700 0.049 0.000 0.758 54 A N 4.563 127.409 122.820 0.043 0.000 2.615 54 A HA 0.299 4.619 4.320 -0.000 0.000 0.230 54 A C 1.873 179.476 177.584 0.031 0.000 1.062 54 A CA 0.760 52.818 52.037 0.033 0.000 0.758 54 A CB -1.060 17.953 19.000 0.021 0.000 0.995 54 A HN 0.895 nan 8.150 nan 0.000 0.511 55 G N 0.855 109.672 108.800 0.028 0.000 2.216 55 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.269 55 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.269 55 G C 1.492 176.410 174.900 0.030 0.000 0.981 55 G CA 1.521 46.636 45.100 0.025 0.000 0.658 55 G HN 2.047 nan 8.290 nan 0.000 0.539 56 G N -0.248 108.576 108.800 0.040 0.000 2.432 56 G HA2 0.260 4.220 3.960 -0.000 0.000 0.219 56 G HA3 0.260 4.220 3.960 -0.000 0.000 0.219 56 G C 1.423 176.351 174.900 0.047 0.000 1.135 56 G CA 1.871 46.996 45.100 0.041 0.000 0.767 56 G HN 1.572 nan 8.290 nan 0.000 0.550 57 G N -0.616 108.217 108.800 0.056 0.000 2.599 57 G HA2 0.240 4.200 3.960 -0.000 0.000 0.196 57 G HA3 0.240 4.200 3.960 -0.000 0.000 0.196 57 G C 0.138 175.063 174.900 0.042 0.000 1.148 57 G CA 0.470 45.606 45.100 0.061 0.000 0.809 57 G HN 0.609 nan 8.290 nan 0.000 0.764 58 N N 0.066 118.787 118.700 0.036 0.000 2.598 58 N HA 0.163 4.903 4.740 -0.000 0.000 0.263 58 N C -1.087 174.431 175.510 0.014 0.000 1.254 58 N CA -0.712 52.348 53.050 0.016 0.000 0.863 58 N CB 1.816 40.304 38.487 0.001 0.000 1.586 58 N HN 0.040 nan 8.380 nan 0.000 0.491 59 K N 1.150 121.554 120.400 0.006 0.000 2.550 59 K HA -0.104 4.216 4.320 -0.000 0.000 0.280 59 K C -0.358 176.244 176.600 0.004 0.000 0.987 59 K CA 0.511 56.801 56.287 0.005 0.000 1.048 59 K CB 0.177 32.677 32.500 0.001 0.000 0.879 59 K HN 0.730 nan 8.250 nan 0.000 0.491 60 Q N 1.660 121.463 119.800 0.006 0.000 2.196 60 Q HA -0.161 4.179 4.340 -0.000 0.000 0.040 60 Q C -1.668 174.338 176.000 0.010 0.000 1.413 60 Q CA 1.350 57.156 55.803 0.004 0.000 0.207 60 Q CB -0.237 28.499 28.738 -0.004 0.000 4.217 60 Q HN 0.833 nan 8.270 nan 0.000 0.303 61 D N 1.435 121.840 120.400 0.008 0.000 2.255 61 D HA 0.361 5.001 4.640 -0.000 0.000 0.249 61 D C 0.022 176.329 176.300 0.011 0.000 1.078 61 D CA -0.196 53.814 54.000 0.016 0.000 0.896 61 D CB 0.501 41.309 40.800 0.013 0.000 1.194 61 D HN 0.325 nan 8.370 nan 0.000 0.429 62 I N 3.578 124.163 120.570 0.025 0.000 2.307 62 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 62 I C -2.200 173.924 176.117 0.011 0.000 1.054 62 I CA -3.185 58.123 61.300 0.013 0.000 1.218 62 I CB 0.143 38.158 38.000 0.026 0.000 1.398 62 I HN -0.080 nan 8.210 nan 0.000 0.475 63 P HA -0.012 nan 4.420 nan 0.000 0.266 63 P C -0.171 177.126 177.300 -0.005 0.000 1.193 63 P CA -0.303 62.790 63.100 -0.013 0.000 0.770 63 P CB 0.533 32.206 31.700 -0.045 0.000 0.836 64 K N 2.731 123.140 120.400 0.016 0.000 2.292 64 K HA 0.261 4.581 4.320 -0.000 0.000 0.290 64 K C -1.256 175.368 176.600 0.039 0.000 1.083 64 K CA -0.311 55.992 56.287 0.026 0.000 0.918 64 K CB -0.076 32.468 32.500 0.073 0.000 1.089 64 K HN 0.169 nan 8.250 nan 0.000 0.473 65 V N 3.600 123.537 119.914 0.038 0.000 2.349 65 V HA 0.221 4.341 4.120 -0.000 0.000 0.284 65 V C -0.296 175.912 176.094 0.190 0.000 1.014 65 V CA -0.690 61.660 62.300 0.083 0.000 0.826 65 V CB 1.074 32.915 31.823 0.030 0.000 1.009 65 V HN 0.770 nan 8.190 nan 0.000 0.431 66 S N 3.170 119.011 115.700 0.235 0.000 2.648 66 S HA 0.781 5.251 4.470 -0.000 0.000 0.305 66 S C 1.120 175.908 174.600 0.314 0.000 1.094 66 S CA 0.239 58.628 58.200 0.314 0.000 0.983 66 S CB 2.157 65.531 63.200 0.290 0.000 1.101 66 S HN 0.848 nan 8.310 nan 0.000 0.514 67 A N 1.610 124.552 122.820 0.203 0.000 2.021 67 A HA 0.198 4.518 4.320 -0.000 0.000 0.216 67 A C 0.390 177.861 177.584 -0.187 0.000 1.163 67 A CA 0.758 52.805 52.037 0.016 0.000 0.676 67 A CB -0.548 18.289 19.000 -0.271 0.000 0.818 67 A HN 0.810 nan 8.150 nan 0.000 0.453 68 Y N 1.442 121.840 120.300 0.165 0.000 2.955 68 Y HA 0.309 4.859 4.550 -0.000 0.000 0.386 68 Y C 0.439 176.379 175.900 0.066 0.000 1.069 68 Y CA -0.201 57.960 58.100 0.101 0.000 1.764 68 Y CB -0.390 38.129 38.460 0.097 0.000 1.646 68 Y HN 0.526 nan 8.280 nan 0.000 0.486 69 Q N -1.835 118.045 119.800 0.134 0.000 2.315 69 Q HA 0.398 4.738 4.340 -0.000 0.000 0.273 69 Q C -1.460 174.599 176.000 0.098 0.000 1.053 69 Q CA -1.289 54.600 55.803 0.142 0.000 0.817 69 Q CB 1.361 30.208 28.738 0.182 0.000 1.326 69 Q HN 0.198 nan 8.270 nan 0.000 0.423 70 Y N 0.926 121.281 120.300 0.092 0.000 2.683 70 Y HA 0.104 4.654 4.550 -0.000 0.000 0.340 70 Y C 0.502 176.403 175.900 0.001 0.000 1.245 70 Y CA 0.141 58.275 58.100 0.056 0.000 1.485 70 Y CB 0.619 39.103 38.460 0.040 0.000 1.328 70 Y HN 0.318 nan 8.280 nan 0.000 0.603 71 R N 2.075 122.618 120.500 0.071 0.000 2.360 71 R HA 0.481 4.821 4.340 -0.000 0.000 0.318 71 R C -1.736 174.357 176.300 -0.346 0.000 0.950 71 R CA -0.750 55.209 56.100 -0.235 0.000 0.837 71 R CB 1.456 31.486 30.300 -0.450 0.000 1.165 71 R HN 0.419 nan 8.270 nan 0.000 0.458 72 V N 5.347 125.068 119.914 -0.322 0.000 2.350 72 V HA 0.444 4.564 4.120 -0.000 0.000 0.285 72 V C -0.458 175.436 176.094 -0.334 0.000 1.014 72 V CA -0.716 61.474 62.300 -0.183 0.000 0.831 72 V CB 1.036 32.939 31.823 0.133 0.000 1.000 72 V HN 0.476 nan 8.190 nan 0.000 0.433 73 F N 3.326 123.243 119.950 -0.055 0.000 2.421 73 F HA 0.594 5.121 4.527 -0.000 0.000 0.337 73 F C 0.669 176.295 175.800 -0.290 0.000 1.105 73 F CA -0.622 57.295 58.000 -0.138 0.000 1.049 73 F CB 1.352 40.203 39.000 -0.247 0.000 1.139 73 F HN 0.312 nan 8.300 nan 0.000 0.479 74 R N 3.164 123.563 120.500 -0.170 0.000 2.278 74 R HA 0.493 4.833 4.340 -0.000 0.000 0.322 74 R C -1.628 174.479 176.300 -0.323 0.000 1.058 74 R CA -0.389 55.360 56.100 -0.585 0.000 0.991 74 R CB 0.639 30.583 30.300 -0.594 0.000 1.140 74 R HN 0.583 nan 8.270 nan 0.000 0.518 75 V N 4.351 124.067 119.914 -0.331 0.000 2.470 75 V HA 0.061 4.181 4.120 -0.000 0.000 0.276 75 V C 0.164 176.114 176.094 -0.239 0.000 1.040 75 V CA -0.173 61.991 62.300 -0.226 0.000 1.008 75 V CB 1.210 32.868 31.823 -0.274 0.000 0.990 75 V HN 0.641 nan 8.190 nan 0.000 0.477 76 Q N 4.955 124.660 119.800 -0.158 0.000 2.368 76 Q HA 0.539 4.879 4.340 -0.000 0.000 0.256 76 Q C -0.879 175.025 176.000 -0.160 0.000 0.980 76 Q CA -0.039 55.686 55.803 -0.131 0.000 0.887 76 Q CB 1.090 29.787 28.738 -0.069 0.000 1.221 76 Q HN 0.703 nan 8.270 nan 0.000 0.458 77 L N 5.368 126.459 121.223 -0.219 0.000 2.416 77 L HA 0.680 5.020 4.340 -0.000 0.000 0.262 77 L C -1.908 174.755 176.870 -0.345 0.000 1.093 77 L CA -2.261 52.355 54.840 -0.373 0.000 0.801 77 L CB 1.096 42.839 42.059 -0.527 0.000 1.191 77 L HN 0.578 nan 8.230 nan 0.000 0.459 78 P HA 0.033 nan 4.420 nan 0.000 0.282 78 P C -1.166 175.977 177.300 -0.261 0.000 1.249 78 P CA -0.415 62.407 63.100 -0.462 0.000 0.806 78 P CB 1.003 32.199 31.700 -0.841 0.000 0.984 79 D N 4.253 124.558 120.400 -0.158 0.000 2.363 79 D HA 0.003 4.643 4.640 -0.000 0.000 0.263 79 D C -0.956 175.234 176.300 -0.183 0.000 1.258 79 D CA -1.766 52.169 54.000 -0.108 0.000 0.907 79 D CB 0.651 41.436 40.800 -0.025 0.000 1.107 79 D HN 0.227 nan 8.370 nan 0.000 0.495 80 P HA -0.164 nan 4.420 nan 0.000 0.221 80 P C 0.739 177.854 177.300 -0.308 0.000 1.145 80 P CA 0.835 63.583 63.100 -0.588 0.000 0.795 80 P CB 0.570 31.536 31.700 -1.224 0.000 0.775 81 N N 0.959 119.524 118.700 -0.225 0.000 2.148 81 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 81 N C 1.326 176.834 175.510 -0.003 0.000 1.031 81 N CA 1.052 54.023 53.050 -0.132 0.000 0.848 81 N CB -0.375 38.042 38.487 -0.116 0.000 1.005 81 N HN 0.309 nan 8.380 nan 0.000 0.427 82 K N 0.198 120.614 120.400 0.027 0.000 2.589 82 K HA 0.076 4.396 4.320 -0.000 0.000 0.204 82 K C -0.383 176.298 176.600 0.134 0.000 1.029 82 K CA -0.155 56.171 56.287 0.064 0.000 1.177 82 K CB -0.165 32.368 32.500 0.056 0.000 0.902 82 K HN 0.027 nan 8.250 nan 0.000 0.501 83 F N 1.030 120.936 119.950 -0.074 0.000 2.436 83 F HA 0.407 4.934 4.527 -0.000 0.000 0.340 83 F C 0.573 176.361 175.800 -0.021 0.000 1.113 83 F CA -1.462 56.503 58.000 -0.059 0.000 1.022 83 F CB 1.110 40.044 39.000 -0.110 0.000 1.128 83 F HN -0.015 nan 8.300 nan 0.000 0.466 84 G N 7.071 115.555 108.800 -0.527 0.000 2.334 84 G HA2 0.369 4.329 3.960 -0.000 0.000 0.261 84 G HA3 0.369 4.329 3.960 -0.000 0.000 0.261 84 G C -0.598 173.976 174.900 -0.544 0.000 1.257 84 G CA -0.440 44.403 45.100 -0.428 0.000 0.935 84 G HN 0.693 nan 8.290 nan 0.000 0.480 85 L N 4.159 125.255 121.223 -0.210 0.000 2.399 85 L HA 0.343 4.683 4.340 -0.000 0.000 0.265 85 L C -0.665 176.203 176.870 -0.002 0.000 1.089 85 L CA -1.936 52.868 54.840 -0.060 0.000 0.802 85 L CB 1.987 44.056 42.059 0.016 0.000 1.180 85 L HN 0.401 nan 8.230 nan 0.000 0.454 86 P HA -0.080 nan 4.420 nan 0.000 0.231 86 P C -0.571 176.752 177.300 0.039 0.000 1.158 86 P CA 1.004 64.138 63.100 0.056 0.000 0.763 86 P CB 0.097 31.843 31.700 0.077 0.000 0.805 87 D N -2.302 118.123 120.400 0.042 0.000 2.625 87 D HA 0.070 4.710 4.640 -0.000 0.000 0.203 87 D C -0.776 175.556 176.300 0.054 0.000 1.230 87 D CA -0.340 53.683 54.000 0.038 0.000 0.784 87 D CB 0.039 40.864 40.800 0.042 0.000 1.936 87 D HN -0.384 nan 8.370 nan 0.000 0.522 88 T N 1.735 116.319 114.554 0.049 0.000 3.260 88 T HA 0.262 4.612 4.350 -0.000 0.000 0.254 88 T C 0.726 175.475 174.700 0.081 0.000 0.951 88 T CA 0.307 62.462 62.100 0.092 0.000 0.918 88 T CB -0.191 68.716 68.868 0.065 0.000 1.098 88 T HN 0.392 nan 8.240 nan 0.000 0.563 89 S N 0.039 115.782 115.700 0.072 0.000 2.809 89 S HA 0.267 4.737 4.470 -0.000 0.000 0.248 89 S C 1.160 175.807 174.600 0.078 0.000 1.071 89 S CA -0.518 57.707 58.200 0.041 0.000 1.059 89 S CB -0.257 62.951 63.200 0.014 0.000 0.923 89 S HN 0.252 nan 8.310 nan 0.000 0.516 90 I N 1.207 121.870 120.570 0.154 0.000 3.030 90 I HA 0.247 4.417 4.170 -0.000 0.000 0.270 90 I C 0.829 177.069 176.117 0.204 0.000 1.211 90 I CA 0.428 61.806 61.300 0.130 0.000 1.479 90 I CB -1.192 36.850 38.000 0.071 0.000 1.105 90 I HN 0.715 nan 8.210 nan 0.000 0.447 91 Y N -0.522 119.741 120.300 -0.062 0.000 2.840 91 Y HA 0.554 5.104 4.550 -0.000 0.000 0.324 91 Y C -0.823 175.035 175.900 -0.069 0.000 1.378 91 Y CA -1.644 56.412 58.100 -0.073 0.000 1.077 91 Y CB 1.042 39.439 38.460 -0.106 0.000 1.361 91 Y HN -0.091 nan 8.280 nan 0.000 0.459 92 N N 2.550 121.008 118.700 -0.402 0.000 2.518 92 N HA 0.394 5.134 4.740 -0.000 0.000 0.254 92 N C -2.344 172.760 175.510 -0.677 0.000 0.979 92 N CA -2.879 49.868 53.050 -0.505 0.000 0.930 92 N CB 1.763 40.116 38.487 -0.224 0.000 1.152 92 N HN 0.415 nan 8.380 nan 0.000 0.505 93 P HA -0.104 nan 4.420 nan 0.000 0.234 93 P C 0.108 177.255 177.300 -0.255 0.000 1.162 93 P CA 0.894 63.640 63.100 -0.590 0.000 0.759 93 P CB 0.536 31.956 31.700 -0.467 0.000 0.813 94 E N -0.360 119.705 120.200 -0.225 0.000 2.166 94 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 94 E C 1.678 178.224 176.600 -0.091 0.000 0.967 94 E CA 1.559 57.882 56.400 -0.127 0.000 0.840 94 E CB -0.368 29.266 29.700 -0.110 0.000 0.795 94 E HN 0.371 nan 8.360 nan 0.000 0.470 95 T N -1.579 112.918 114.554 -0.094 0.000 3.145 95 T HA 0.181 4.531 4.350 -0.000 0.000 0.281 95 T C 0.428 175.103 174.700 -0.042 0.000 1.003 95 T CA -0.475 61.593 62.100 -0.053 0.000 0.901 95 T CB 0.255 69.100 68.868 -0.038 0.000 1.112 95 T HN 0.060 nan 8.240 nan 0.000 0.535 96 Q N -0.150 119.619 119.800 -0.052 0.000 2.565 96 Q HA 0.735 5.075 4.340 -0.000 0.000 0.294 96 Q C -1.466 174.506 176.000 -0.047 0.000 1.005 96 Q CA -1.419 54.370 55.803 -0.023 0.000 0.771 96 Q CB 1.642 30.413 28.738 0.055 0.000 1.486 96 Q HN -0.062 nan 8.270 nan 0.000 0.422 97 R N 0.280 120.632 120.500 -0.246 0.000 2.867 97 R HA 0.653 4.993 4.340 -0.000 0.000 0.268 97 R C -0.979 174.996 176.300 -0.541 0.000 1.014 97 R CA -0.874 54.885 56.100 -0.568 0.000 0.946 97 R CB 1.619 31.020 30.300 -1.498 0.000 1.208 97 R HN 0.663 nan 8.270 nan 0.000 0.477 98 L N 0.842 121.684 121.223 -0.635 0.000 2.334 98 L HA 0.715 5.055 4.340 -0.000 0.000 0.273 98 L C -0.436 176.168 176.870 -0.444 0.000 1.013 98 L CA -1.037 53.444 54.840 -0.598 0.000 0.816 98 L CB 1.989 43.572 42.059 -0.794 0.000 1.278 98 L HN 0.142 nan 8.230 nan 0.000 0.431 99 V N -0.186 119.484 119.914 -0.407 0.000 3.007 99 V HA 0.383 4.503 4.120 -0.000 0.000 0.311 99 V C -1.260 174.623 176.094 -0.352 0.000 1.120 99 V CA -0.871 61.255 62.300 -0.290 0.000 0.980 99 V CB 2.146 33.874 31.823 -0.158 0.000 1.033 99 V HN 0.642 nan 8.190 nan 0.000 0.429 100 W N 1.598 122.779 121.300 -0.198 0.000 2.365 100 W HA 0.720 5.380 4.660 -0.000 0.000 0.316 100 W C 0.165 176.603 176.519 -0.135 0.000 1.164 100 W CA -0.415 56.816 57.345 -0.191 0.000 1.204 100 W CB 1.600 30.858 29.460 -0.337 0.000 1.213 100 W HN 0.720 nan 8.180 nan 0.000 0.539 101 A N 3.451 126.429 122.820 0.263 0.000 2.330 101 A HA 0.476 4.796 4.320 -0.000 0.000 0.313 101 A C -0.842 176.868 177.584 0.210 0.000 1.124 101 A CA -0.669 51.429 52.037 0.102 0.000 0.774 101 A CB 0.640 19.636 19.000 -0.007 0.000 1.198 101 A HN 0.759 nan 8.150 nan 0.000 0.465 102 C N 2.404 121.775 119.300 0.118 0.000 2.653 102 C HA 0.532 4.992 4.460 -0.000 0.000 0.421 102 C C 1.368 176.336 174.990 -0.037 0.000 1.334 102 C CA 0.789 59.824 59.018 0.029 0.000 1.885 102 C CB 0.001 27.736 27.740 -0.008 0.000 2.645 102 C HN 1.105 nan 8.230 nan 0.000 0.601 103 A N 3.670 126.456 122.820 -0.056 0.000 2.263 103 A HA 0.633 4.953 4.320 -0.000 0.000 0.200 103 A C 0.618 178.281 177.584 0.131 0.000 1.428 103 A CA 0.657 52.738 52.037 0.072 0.000 1.050 103 A CB -0.065 19.031 19.000 0.159 0.000 1.226 103 A HN 1.427 nan 8.150 nan 0.000 0.501 104 G N -0.745 108.031 108.800 -0.040 0.000 2.733 104 G HA2 0.553 4.513 3.960 -0.000 0.000 0.297 104 G HA3 0.553 4.513 3.960 -0.000 0.000 0.297 104 G C -1.633 173.108 174.900 -0.265 0.000 1.422 104 G CA -0.277 44.811 45.100 -0.021 0.000 0.942 104 G HN 0.566 nan 8.290 nan 0.000 0.510 105 V N 0.200 119.884 119.914 -0.383 0.000 3.049 105 V HA 0.784 4.904 4.120 -0.000 0.000 0.309 105 V C -0.779 175.045 176.094 -0.450 0.000 1.148 105 V CA -0.843 61.182 62.300 -0.457 0.000 0.990 105 V CB 2.310 33.925 31.823 -0.347 0.000 1.039 105 V HN 0.935 nan 8.190 nan 0.000 0.430 106 E N 2.617 122.514 120.200 -0.505 0.000 2.448 106 E HA 0.408 4.758 4.350 -0.000 0.000 0.288 106 E C -1.823 174.583 176.600 -0.323 0.000 0.936 106 E CA -0.628 55.570 56.400 -0.337 0.000 0.809 106 E CB 1.114 30.617 29.700 -0.329 0.000 1.408 106 E HN 0.512 nan 8.360 nan 0.000 0.393 107 I N 3.401 123.884 120.570 -0.145 0.000 2.322 107 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 107 I C 0.962 176.993 176.117 -0.143 0.000 1.060 107 I CA -0.407 60.789 61.300 -0.173 0.000 1.309 107 I CB 0.511 38.441 38.000 -0.117 0.000 1.415 107 I HN 0.518 nan 8.210 nan 0.000 0.492 108 G N 6.913 115.598 108.800 -0.193 0.000 2.377 108 G HA2 0.587 4.546 3.960 -0.000 0.000 0.299 108 G HA3 0.587 4.546 3.960 -0.000 0.000 0.299 108 G C -0.114 174.648 174.900 -0.230 0.000 1.150 108 G CA -0.630 44.375 45.100 -0.159 0.000 0.847 108 G HN 0.360 nan 8.290 nan 0.000 0.501 109 R N 0.985 121.360 120.500 -0.210 0.000 2.562 109 R HA 0.471 4.811 4.340 -0.000 0.000 0.298 109 R C 0.917 177.099 176.300 -0.196 0.000 0.961 109 R CA -0.351 55.563 56.100 -0.310 0.000 0.881 109 R CB 1.819 31.953 30.300 -0.278 0.000 1.159 109 R HN 0.604 nan 8.270 nan 0.000 0.450 110 G N 1.627 110.298 108.800 -0.216 0.000 2.632 110 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.220 110 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.220 110 G C 0.019 174.867 174.900 -0.087 0.000 1.439 110 G CA -0.004 45.021 45.100 -0.125 0.000 0.934 110 G HN 0.378 nan 8.290 nan 0.000 0.536 111 Q N 1.360 121.112 119.800 -0.081 0.000 2.560 111 Q HA 0.045 4.385 4.340 -0.000 0.000 0.303 111 Q C -1.992 173.993 176.000 -0.026 0.000 1.230 111 Q CA -0.300 55.478 55.803 -0.041 0.000 1.023 111 Q CB -0.328 28.394 28.738 -0.027 0.000 1.317 111 Q HN 0.317 nan 8.270 nan 0.000 0.482 112 P HA 0.187 nan 4.420 nan 0.000 0.279 112 P C -0.487 176.822 177.300 0.014 0.000 1.252 112 P CA -0.628 62.474 63.100 0.003 0.000 0.811 112 P CB 0.646 32.350 31.700 0.007 0.000 1.035 113 L N 0.968 122.202 121.223 0.018 0.000 2.499 113 L HA 0.460 4.799 4.340 -0.000 0.000 0.281 113 L C 1.364 178.252 176.870 0.030 0.000 1.234 113 L CA 1.684 56.540 54.840 0.027 0.000 0.839 113 L CB -0.686 41.390 42.059 0.029 0.000 1.104 113 L HN 0.784 nan 8.230 nan 0.000 0.500 114 G N 0.839 109.661 108.800 0.036 0.000 2.489 114 G HA2 0.553 4.513 3.960 -0.000 0.000 0.291 114 G HA3 0.553 4.513 3.960 -0.000 0.000 0.291 114 G C -1.709 173.215 174.900 0.041 0.000 1.487 114 G CA -0.163 44.958 45.100 0.036 0.000 0.795 114 G HN 0.654 nan 8.290 nan 0.000 0.513 115 V N -1.484 118.456 119.914 0.042 0.000 2.628 115 V HA 1.032 5.152 4.120 -0.000 0.000 0.306 115 V C 0.376 176.495 176.094 0.042 0.000 1.045 115 V CA -0.194 62.140 62.300 0.056 0.000 0.905 115 V CB 1.463 33.323 31.823 0.061 0.000 0.997 115 V HN 1.787 nan 8.190 nan 0.000 0.436 116 G N 3.044 111.880 108.800 0.061 0.000 2.620 116 G HA2 0.686 4.646 3.960 -0.000 0.000 0.301 116 G HA3 0.686 4.646 3.960 -0.000 0.000 0.301 116 G C -1.259 173.671 174.900 0.050 0.000 1.347 116 G CA -0.988 44.136 45.100 0.040 0.000 0.971 116 G HN 0.842 nan 8.290 nan 0.000 0.488 117 L N 0.532 121.766 121.223 0.018 0.000 2.387 117 L HA 0.742 5.082 4.340 -0.000 0.000 0.266 117 L C 0.230 177.080 176.870 -0.034 0.000 1.059 117 L CA -0.762 54.045 54.840 -0.055 0.000 0.801 117 L CB 1.967 43.993 42.059 -0.055 0.000 1.223 117 L HN 0.446 nan 8.230 nan 0.000 0.456 118 S N -0.488 115.068 115.700 -0.239 0.000 2.540 118 S HA 0.838 5.308 4.470 -0.000 0.000 0.275 118 S C -0.215 174.175 174.600 -0.350 0.000 1.123 118 S CA -0.582 57.445 58.200 -0.288 0.000 0.907 118 S CB 2.172 65.141 63.200 -0.385 0.000 1.081 118 S HN 0.903 nan 8.310 nan 0.000 0.476 119 G N 0.841 109.401 108.800 -0.400 0.000 2.782 119 G HA2 0.658 4.618 3.960 -0.000 0.000 0.304 119 G HA3 0.658 4.618 3.960 -0.000 0.000 0.304 119 G C -2.043 172.735 174.900 -0.204 0.000 1.315 119 G CA -0.381 44.555 45.100 -0.273 0.000 0.791 119 G HN 0.639 nan 8.290 nan 0.000 0.519 120 H N -0.451 118.492 119.070 -0.212 0.000 2.947 120 H HA 0.385 4.941 4.556 -0.000 0.000 0.354 120 H C -2.233 172.979 175.328 -0.192 0.000 1.085 120 H CA -1.352 54.607 56.048 -0.149 0.000 1.253 120 H CB 2.925 32.686 29.762 -0.000 0.000 1.757 120 H HN 0.112 nan 8.280 nan 0.000 0.523 121 P HA -0.015 nan 4.420 nan 0.000 0.220 121 P C -0.126 176.910 177.300 -0.440 0.000 1.148 121 P CA 1.307 64.148 63.100 -0.433 0.000 0.803 121 P CB 0.100 31.319 31.700 -0.802 0.000 0.782 122 F N -3.050 117.159 119.950 0.433 0.000 2.597 122 F HA 0.259 4.786 4.527 -0.000 0.000 0.336 122 F C 0.286 175.992 175.800 -0.157 0.000 1.432 122 F CA -1.307 56.755 58.000 0.102 0.000 1.120 122 F CB -0.057 38.989 39.000 0.077 0.000 1.253 122 F HN -0.196 nan 8.300 nan 0.000 0.546 123 Y N 1.966 122.181 120.300 -0.143 0.000 2.578 123 Y HA 0.031 4.581 4.550 -0.000 0.000 0.339 123 Y C 0.770 176.542 175.900 -0.213 0.000 1.231 123 Y CA -0.199 57.732 58.100 -0.283 0.000 1.461 123 Y CB 0.509 38.830 38.460 -0.232 0.000 1.323 123 Y HN 0.276 nan 8.280 nan 0.000 0.590 124 N N 5.515 123.863 118.700 -0.586 0.000 2.968 124 N HA 0.060 4.800 4.740 -0.000 0.000 0.271 124 N C -1.321 173.972 175.510 -0.361 0.000 1.174 124 N CA -0.152 52.662 53.050 -0.392 0.000 1.096 124 N CB -0.255 38.017 38.487 -0.357 0.000 1.403 124 N HN 0.553 nan 8.380 nan 0.000 0.522 125 K N 3.463 123.750 120.400 -0.189 0.000 2.367 125 K HA 0.138 4.458 4.320 -0.000 0.000 0.263 125 K C 0.438 176.963 176.600 -0.125 0.000 1.000 125 K CA -0.611 55.567 56.287 -0.182 0.000 0.891 125 K CB 0.957 33.214 32.500 -0.404 0.000 1.117 125 K HN 0.257 nan 8.250 nan 0.000 0.443 126 L N 3.967 125.163 121.223 -0.045 0.000 2.007 126 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 126 L C -0.471 176.411 176.870 0.020 0.000 1.073 126 L CA 2.047 56.881 54.840 -0.009 0.000 0.744 126 L CB -0.157 41.913 42.059 0.018 0.000 0.898 126 L HN 0.932 nan 8.230 nan 0.000 0.435 127 D N -3.563 116.894 120.400 0.096 0.000 2.807 127 D HA 0.154 4.794 4.640 -0.000 0.000 0.279 127 D C -1.505 175.007 176.300 0.355 0.000 1.247 127 D CA -0.645 53.451 54.000 0.160 0.000 0.749 127 D CB -0.067 40.809 40.800 0.127 0.000 1.264 127 D HN -0.031 nan 8.370 nan 0.000 0.421 128 D N -0.701 119.920 120.400 0.368 0.000 2.358 128 D HA 0.303 4.943 4.640 -0.000 0.000 0.258 128 D C 0.843 177.315 176.300 0.286 0.000 1.223 128 D CA 0.184 54.434 54.000 0.416 0.000 0.886 128 D CB 0.786 41.771 40.800 0.308 0.000 1.120 128 D HN 0.456 nan 8.370 nan 0.000 0.482 129 T N -0.065 114.671 114.554 0.303 0.000 3.054 129 T HA 0.070 4.420 4.350 -0.000 0.000 0.255 129 T C 1.330 176.142 174.700 0.187 0.000 1.035 129 T CA -0.293 61.950 62.100 0.238 0.000 0.941 129 T CB 0.089 69.137 68.868 0.300 0.000 1.026 129 T HN 0.499 nan 8.240 nan 0.000 0.533 130 E N 2.255 122.559 120.200 0.173 0.000 2.106 130 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 130 E C 0.599 177.225 176.600 0.044 0.000 0.984 130 E CA 1.286 57.750 56.400 0.106 0.000 0.806 130 E CB 0.163 29.715 29.700 -0.246 0.000 0.750 130 E HN 0.661 nan 8.360 nan 0.000 0.458 131 S N -0.293 115.429 115.700 0.036 0.000 2.703 131 S HA 0.015 4.485 4.470 -0.000 0.000 0.188 131 S C -0.388 174.222 174.600 0.017 0.000 0.797 131 S CA -0.124 58.080 58.200 0.007 0.000 0.888 131 S CB -0.863 62.312 63.200 -0.041 0.000 1.605 131 S HN 0.223 nan 8.310 nan 0.000 0.553 132 S N 1.480 117.223 115.700 0.071 0.000 2.715 132 S HA -0.044 4.426 4.470 -0.000 0.000 0.318 132 S C 1.088 175.741 174.600 0.088 0.000 1.242 132 S CA 0.038 58.300 58.200 0.103 0.000 1.044 132 S CB -0.141 63.131 63.200 0.121 0.000 0.760 132 S HN 0.507 nan 8.310 nan 0.000 0.501 133 H N 2.742 121.841 119.070 0.048 0.000 2.466 133 H HA -0.128 4.428 4.556 -0.000 0.000 0.297 133 H C 1.190 176.538 175.328 0.033 0.000 1.113 133 H CA 1.846 57.916 56.048 0.036 0.000 1.273 133 H CB -0.105 29.676 29.762 0.033 0.000 1.371 133 H HN 0.909 nan 8.280 nan 0.000 0.528 134 A N -1.202 121.715 122.820 0.163 0.000 5.327 134 A HA 0.552 4.872 4.320 -0.000 0.000 0.105 134 A C -0.660 176.977 177.584 0.088 0.000 1.178 134 A CA 0.099 52.200 52.037 0.107 0.000 1.782 134 A CB -0.612 18.451 19.000 0.104 0.000 2.452 134 A HN 0.340 nan 8.150 nan 0.000 1.125 135 A N -0.500 122.362 122.820 0.070 0.000 2.292 135 A HA 0.703 5.023 4.320 -0.000 0.000 0.265 135 A C 0.676 178.297 177.584 0.062 0.000 1.133 135 A CA 0.972 53.044 52.037 0.059 0.000 0.807 135 A CB -0.355 18.670 19.000 0.042 0.000 1.102 135 A HN 2.260 nan 8.150 nan 0.000 0.502 136 T N -2.408 112.178 114.554 0.054 0.000 2.742 136 T HA 0.628 4.978 4.350 -0.000 0.000 0.282 136 T C 0.226 174.946 174.700 0.034 0.000 1.025 136 T CA 0.017 62.147 62.100 0.051 0.000 1.020 136 T CB 0.358 69.265 68.868 0.066 0.000 1.317 136 T HN 1.492 nan 8.240 nan 0.000 0.538 137 S N 1.095 116.812 115.700 0.028 0.000 2.560 137 S HA 0.116 4.586 4.470 -0.000 0.000 0.276 137 S C 0.273 174.879 174.600 0.009 0.000 1.350 137 S CA -0.569 57.640 58.200 0.015 0.000 1.024 137 S CB -0.514 62.692 63.200 0.010 0.000 0.864 137 S HN 0.987 nan 8.310 nan 0.000 0.536 138 N N 0.295 118.997 118.700 0.003 0.000 2.492 138 N HA 0.049 4.789 4.740 -0.000 0.000 0.262 138 N C -0.130 175.375 175.510 -0.008 0.000 1.202 138 N CA -0.400 52.649 53.050 -0.002 0.000 0.926 138 N CB 0.429 38.913 38.487 -0.004 0.000 1.078 138 N HN 0.470 nan 8.380 nan 0.000 0.454 139 V N 3.333 123.240 119.914 -0.011 0.000 2.670 139 V HA -0.027 4.092 4.120 -0.000 0.000 0.344 139 V C 1.690 177.771 176.094 -0.022 0.000 1.648 139 V CA 0.462 62.751 62.300 -0.019 0.000 1.673 139 V CB -1.943 29.867 31.823 -0.022 0.000 1.382 139 V HN 0.806 nan 8.190 nan 0.000 0.503 140 S N 0.985 116.673 115.700 -0.020 0.000 2.436 140 S HA -0.143 4.327 4.470 -0.000 0.000 0.208 140 S C 1.397 175.979 174.600 -0.030 0.000 1.063 140 S CA 1.561 59.748 58.200 -0.022 0.000 1.120 140 S CB 0.111 63.299 63.200 -0.020 0.000 1.053 140 S HN 0.685 nan 8.310 nan 0.000 0.407 141 E N -0.224 119.955 120.200 -0.035 0.000 3.902 141 E HA 0.133 4.483 4.350 -0.000 0.000 0.247 141 E C -1.122 175.445 176.600 -0.056 0.000 1.284 141 E CA 0.024 56.397 56.400 -0.045 0.000 1.773 141 E CB 0.444 30.117 29.700 -0.045 0.000 1.684 141 E HN 0.383 nan 8.360 nan 0.000 0.762 142 D N 1.008 121.375 120.400 -0.056 0.000 2.464 142 D HA 0.253 4.893 4.640 -0.000 0.000 0.243 142 D C -0.295 175.978 176.300 -0.046 0.000 1.104 142 D CA -0.152 53.807 54.000 -0.067 0.000 0.883 142 D CB 1.720 42.465 40.800 -0.092 0.000 1.050 142 D HN 0.020 nan 8.370 nan 0.000 0.524 143 V N 3.627 123.516 119.914 -0.041 0.000 3.276 143 V HA 0.235 4.355 4.120 -0.000 0.000 0.319 143 V C 1.034 177.115 176.094 -0.021 0.000 1.427 143 V CA -0.359 61.925 62.300 -0.026 0.000 1.102 143 V CB -0.551 31.256 31.823 -0.027 0.000 1.020 143 V HN 0.302 nan 8.190 nan 0.000 0.456 144 R N 1.933 122.425 120.500 -0.013 0.000 2.522 144 R HA 0.219 4.559 4.340 -0.000 0.000 0.284 144 R C -0.566 175.780 176.300 0.077 0.000 1.032 144 R CA 0.349 56.463 56.100 0.023 0.000 1.049 144 R CB 0.335 30.669 30.300 0.057 0.000 0.956 144 R HN 0.354 nan 8.270 nan 0.000 0.422 145 D N 0.799 121.220 120.400 0.034 0.000 2.392 145 D HA 0.101 4.741 4.640 -0.000 0.000 0.246 145 D C -0.515 175.783 176.300 -0.003 0.000 1.013 145 D CA -0.630 53.375 54.000 0.009 0.000 0.993 145 D CB 1.078 41.839 40.800 -0.064 0.000 1.219 145 D HN 0.333 nan 8.370 nan 0.000 0.538 146 N N 1.055 119.725 118.700 -0.050 0.000 2.414 146 N HA 0.269 5.009 4.740 -0.000 0.000 0.256 146 N C -0.900 174.528 175.510 -0.137 0.000 1.029 146 N CA -0.205 52.788 53.050 -0.095 0.000 0.948 146 N CB 0.603 39.020 38.487 -0.116 0.000 1.102 146 N HN 0.264 nan 8.380 nan 0.000 0.496 147 V N 0.795 120.596 119.914 -0.188 0.000 3.102 147 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 147 V C -0.193 175.738 176.094 -0.272 0.000 1.135 147 V CA -0.824 61.311 62.300 -0.276 0.000 1.022 147 V CB 1.446 32.969 31.823 -0.500 0.000 1.056 147 V HN 0.689 nan 8.190 nan 0.000 0.436 148 S N 0.903 116.468 115.700 -0.224 0.000 2.697 148 S HA 0.968 5.438 4.470 -0.000 0.000 0.289 148 S C -0.896 173.605 174.600 -0.166 0.000 1.149 148 S CA -0.292 57.786 58.200 -0.204 0.000 0.850 148 S CB 1.707 64.816 63.200 -0.152 0.000 1.151 148 S HN 2.407 nan 8.310 nan 0.000 0.491 149 V N 1.180 120.976 119.914 -0.198 0.000 3.036 149 V HA 0.402 4.522 4.120 -0.000 0.000 0.280 149 V C -2.221 173.695 176.094 -0.298 0.000 1.497 149 V CA -0.641 61.559 62.300 -0.167 0.000 0.982 149 V CB 2.074 33.856 31.823 -0.069 0.000 1.171 149 V HN 1.243 nan 8.190 nan 0.000 0.444 150 D N 5.073 125.357 120.400 -0.195 0.000 2.264 150 D HA 0.296 4.936 4.640 -0.000 0.000 0.250 150 D C -0.138 176.079 176.300 -0.138 0.000 1.113 150 D CA -0.016 53.878 54.000 -0.177 0.000 0.871 150 D CB 0.798 41.577 40.800 -0.035 0.000 1.167 150 D HN 0.558 nan 8.370 nan 0.000 0.447 151 Y N 0.372 120.614 120.300 -0.098 0.000 2.188 151 Y HA 0.027 4.577 4.550 -0.000 0.000 0.360 151 Y C 1.688 177.596 175.900 0.015 0.000 1.324 151 Y CA -0.820 57.193 58.100 -0.145 0.000 1.726 151 Y CB 0.664 38.779 38.460 -0.576 0.000 1.536 151 Y HN 0.299 nan 8.280 nan 0.000 0.628 152 K N 1.413 121.958 120.400 0.241 0.000 2.319 152 K HA -0.010 4.310 4.320 -0.000 0.000 0.265 152 K C -0.665 176.100 176.600 0.275 0.000 1.000 152 K CA -0.410 55.984 56.287 0.178 0.000 0.943 152 K CB 0.567 33.138 32.500 0.119 0.000 0.950 152 K HN 0.676 nan 8.250 nan 0.000 0.485 153 Q N 2.454 122.378 119.800 0.208 0.000 2.314 153 Q HA 0.217 4.557 4.340 -0.000 0.000 0.259 153 Q C -1.420 174.680 176.000 0.167 0.000 0.951 153 Q CA -0.422 55.502 55.803 0.201 0.000 0.909 153 Q CB 1.393 30.225 28.738 0.155 0.000 1.236 153 Q HN 0.694 nan 8.270 nan 0.000 0.444 154 T N 3.430 118.084 114.554 0.167 0.000 2.906 154 T HA 0.509 4.858 4.350 -0.000 0.000 0.295 154 T C -1.136 173.639 174.700 0.125 0.000 1.075 154 T CA -0.764 61.424 62.100 0.146 0.000 1.005 154 T CB 1.823 70.792 68.868 0.168 0.000 1.136 154 T HN 0.582 nan 8.240 nan 0.000 0.498 155 Q N 1.351 121.219 119.800 0.114 0.000 2.313 155 Q HA 0.599 4.939 4.340 -0.000 0.000 0.255 155 Q C -1.739 174.322 176.000 0.102 0.000 0.944 155 Q CA -0.828 55.047 55.803 0.121 0.000 0.881 155 Q CB 2.491 31.230 28.738 0.001 0.000 1.375 155 Q HN 0.663 nan 8.270 nan 0.000 0.422 156 L N -0.730 120.612 121.223 0.198 0.000 2.518 156 L HA 0.968 5.308 4.340 -0.000 0.000 0.257 156 L C -1.729 175.317 176.870 0.293 0.000 0.980 156 L CA -0.660 54.289 54.840 0.182 0.000 0.837 156 L CB 2.349 44.526 42.059 0.198 0.000 1.410 156 L HN 0.716 nan 8.230 nan 0.000 0.410 157 C N 4.076 123.520 119.300 0.240 0.000 2.642 157 C HA 0.857 5.317 4.460 -0.000 0.000 0.344 157 C C -1.368 173.769 174.990 0.246 0.000 1.110 157 C CA -0.309 58.898 59.018 0.315 0.000 1.298 157 C CB 0.734 28.740 27.740 0.443 0.000 1.827 157 C HN 0.777 nan 8.230 nan 0.000 0.467 158 I N 6.421 127.133 120.570 0.237 0.000 2.498 158 I HA 0.538 4.708 4.170 -0.000 0.000 0.290 158 I C -0.465 175.760 176.117 0.181 0.000 1.032 158 I CA -0.601 60.808 61.300 0.182 0.000 1.073 158 I CB 1.532 39.584 38.000 0.087 0.000 1.251 158 I HN 0.602 nan 8.210 nan 0.000 0.426 159 L N 4.381 125.707 121.223 0.171 0.000 2.354 159 L HA 0.959 5.299 4.340 -0.000 0.000 0.269 159 L C 0.224 176.845 176.870 -0.413 0.000 1.005 159 L CA -0.356 54.526 54.840 0.069 0.000 0.819 159 L CB 2.425 44.655 42.059 0.284 0.000 1.311 159 L HN 0.847 nan 8.230 nan 0.000 0.423 160 G N -0.307 108.189 108.800 -0.507 0.000 2.441 160 G HA2 0.297 4.257 3.960 -0.000 0.000 0.294 160 G HA3 0.297 4.257 3.960 -0.000 0.000 0.294 160 G C -0.746 174.045 174.900 -0.181 0.000 1.393 160 G CA -0.179 44.381 45.100 -0.899 0.000 0.796 160 G HN 0.736 nan 8.290 nan 0.000 0.494 161 C N -0.849 118.451 119.300 0.001 0.000 2.470 161 C HA 0.829 5.289 4.460 -0.000 0.000 0.311 161 C C 0.709 175.795 174.990 0.159 0.000 1.387 161 C CA -0.250 58.940 59.018 0.286 0.000 1.783 161 C CB -1.484 26.492 27.740 0.393 0.000 2.416 161 C HN 1.850 nan 8.230 nan 0.000 0.558 162 A N 1.319 123.991 122.820 -0.246 0.000 2.532 162 A HA 0.789 5.109 4.320 -0.000 0.000 0.296 162 A C -2.937 173.962 177.584 -1.141 0.000 1.058 162 A CA -0.811 50.785 52.037 -0.735 0.000 0.729 162 A CB 0.869 19.714 19.000 -0.259 0.000 1.285 162 A HN 0.192 nan 8.150 nan 0.000 0.396 163 P HA 0.216 nan 4.420 nan 0.000 0.269 163 P C 0.219 177.226 177.300 -0.487 0.000 1.200 163 P CA 0.580 63.048 63.100 -1.052 0.000 0.779 163 P CB 0.546 31.781 31.700 -0.775 0.000 0.841 164 A N 2.589 125.231 122.820 -0.296 0.000 2.302 164 A HA 0.534 4.854 4.320 -0.000 0.000 0.285 164 A C 0.300 177.753 177.584 -0.218 0.000 1.105 164 A CA -0.682 51.219 52.037 -0.225 0.000 0.816 164 A CB -0.101 18.791 19.000 -0.180 0.000 1.067 164 A HN 0.470 nan 8.150 nan 0.000 0.489 165 I N 0.803 121.249 120.570 -0.205 0.000 2.437 165 I HA 0.569 4.739 4.170 -0.000 0.000 0.298 165 I C 0.850 176.833 176.117 -0.223 0.000 0.984 165 I CA 0.018 61.208 61.300 -0.184 0.000 1.214 165 I CB 2.034 39.951 38.000 -0.138 0.000 1.365 165 I HN 0.701 nan 8.210 nan 0.000 0.469 166 G N 3.714 112.398 108.800 -0.193 0.000 2.630 166 G HA2 0.742 4.702 3.960 -0.000 0.000 0.296 166 G HA3 0.742 4.702 3.960 -0.000 0.000 0.296 166 G C -1.512 173.337 174.900 -0.086 0.000 1.285 166 G CA -0.458 44.533 45.100 -0.182 0.000 0.958 166 G HN 0.667 nan 8.290 nan 0.000 0.479 167 E N -0.785 119.396 120.200 -0.031 0.000 2.369 167 E HA 0.706 5.056 4.350 -0.000 0.000 0.270 167 E C -1.347 175.284 176.600 0.052 0.000 0.909 167 E CA -1.005 55.371 56.400 -0.039 0.000 0.775 167 E CB 2.524 32.156 29.700 -0.113 0.000 1.270 167 E HN 0.773 nan 8.360 nan 0.000 0.445 168 H N -0.381 118.534 119.070 -0.259 0.000 2.987 168 H HA 0.231 4.787 4.556 -0.000 0.000 0.316 168 H C -2.027 173.055 175.328 -0.410 0.000 1.380 168 H CA -1.151 54.758 56.048 -0.232 0.000 1.160 168 H CB 0.009 29.732 29.762 -0.066 0.000 1.865 168 H HN 0.652 nan 8.280 nan 0.000 0.521 169 W N 1.269 122.499 121.300 -0.118 0.000 2.365 169 W HA 0.705 5.365 4.660 -0.000 0.000 0.316 169 W C 0.011 176.422 176.519 -0.181 0.000 1.164 169 W CA 0.104 57.337 57.345 -0.186 0.000 1.204 169 W CB 1.718 31.119 29.460 -0.099 0.000 1.213 169 W HN 0.863 nan 8.180 nan 0.000 0.539 170 A N 2.576 125.402 122.820 0.009 0.000 2.569 170 A HA 0.581 4.901 4.320 -0.000 0.000 0.290 170 A C -1.034 176.583 177.584 0.055 0.000 1.136 170 A CA -1.194 50.856 52.037 0.023 0.000 0.710 170 A CB 1.353 20.330 19.000 -0.038 0.000 1.303 170 A HN 0.558 nan 8.150 nan 0.000 0.413 171 K N 0.651 121.078 120.400 0.045 0.000 2.451 171 K HA 0.311 4.631 4.320 -0.000 0.000 0.280 171 K C 0.566 177.185 176.600 0.030 0.000 1.020 171 K CA 0.587 56.897 56.287 0.037 0.000 1.008 171 K CB 0.220 32.738 32.500 0.030 0.000 0.917 171 K HN 0.867 nan 8.250 nan 0.000 0.478 172 G N 2.427 111.247 108.800 0.034 0.000 2.503 172 G HA2 0.080 4.040 3.960 -0.000 0.000 0.257 172 G HA3 0.080 4.040 3.960 -0.000 0.000 0.257 172 G C -0.634 174.276 174.900 0.016 0.000 1.214 172 G CA -0.636 44.480 45.100 0.027 0.000 0.839 172 G HN 0.654 nan 8.290 nan 0.000 0.559 173 T N 1.345 115.905 114.554 0.010 0.000 2.793 173 T HA 0.345 4.695 4.350 -0.000 0.000 0.289 173 T C 0.915 175.620 174.700 0.007 0.000 0.956 173 T CA 0.338 62.442 62.100 0.007 0.000 1.177 173 T CB 0.579 69.448 68.868 0.003 0.000 0.897 173 T HN 0.826 nan 8.240 nan 0.000 0.533 174 A N 4.721 127.545 122.820 0.006 0.000 2.526 174 A HA 0.368 4.687 4.320 -0.000 0.000 0.267 174 A C 1.041 178.628 177.584 0.004 0.000 1.095 174 A CA -0.632 51.408 52.037 0.005 0.000 0.775 174 A CB -0.310 18.693 19.000 0.004 0.000 1.036 174 A HN 0.923 nan 8.150 nan 0.000 0.510 175 S N 2.616 118.318 115.700 0.004 0.000 2.549 175 S HA 0.163 4.633 4.470 -0.000 0.000 0.283 175 S C 1.008 175.608 174.600 0.001 0.000 1.320 175 S CA 0.005 58.206 58.200 0.002 0.000 1.058 175 S CB 0.931 64.133 63.200 0.003 0.000 0.882 175 S HN 0.785 nan 8.310 nan 0.000 0.498 176 K N 2.018 122.419 120.400 0.001 0.000 2.211 176 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 176 K C 2.041 178.641 176.600 0.000 0.000 1.050 176 K CA 1.414 57.701 56.287 0.000 0.000 0.945 176 K CB -0.611 31.889 32.500 -0.000 0.000 0.732 176 K HN 0.706 nan 8.250 nan 0.000 0.451 177 S N 0.690 116.390 115.700 0.000 0.000 2.355 177 S HA -0.090 4.379 4.470 -0.000 0.000 0.222 177 S C 1.315 175.915 174.600 -0.000 0.000 1.031 177 S CA 0.346 58.547 58.200 0.000 0.000 0.993 177 S CB -0.158 63.042 63.200 0.000 0.000 0.859 177 S HN 0.172 nan 8.310 nan 0.000 0.453 178 R N 2.710 123.210 120.500 0.000 0.000 2.363 178 R HA 0.442 4.782 4.340 -0.000 0.000 0.297 178 R C -2.955 173.345 176.300 0.000 0.000 1.208 178 R CA -2.310 53.789 56.100 -0.000 0.000 1.121 178 R CB 1.014 31.314 30.300 0.000 0.000 1.124 178 R HN 0.369 nan 8.270 nan 0.000 0.561 179 P HA -0.007 nan 4.420 nan 0.000 0.270 179 P C -0.458 176.842 177.300 -0.001 0.000 1.227 179 P CA -0.536 62.564 63.100 -0.000 0.000 0.788 179 P CB 0.989 32.688 31.700 -0.001 0.000 0.926 180 L N 1.892 123.115 121.223 -0.000 0.000 2.287 180 L HA 0.170 4.509 4.340 -0.000 0.000 0.280 180 L C 0.340 177.209 176.870 -0.002 0.000 1.055 180 L CA -0.114 54.725 54.840 -0.001 0.000 0.863 180 L CB -0.170 41.889 42.059 0.000 0.000 1.245 180 L HN 0.381 nan 8.230 nan 0.000 0.432 181 S N 2.344 118.042 115.700 -0.003 0.000 2.558 181 S HA 0.085 4.555 4.470 -0.000 0.000 0.293 181 S C 0.210 174.808 174.600 -0.004 0.000 1.292 181 S CA -0.530 57.668 58.200 -0.004 0.000 1.063 181 S CB 0.356 63.553 63.200 -0.004 0.000 0.831 181 S HN 0.594 nan 8.310 nan 0.000 0.499 182 Q N 1.815 121.612 119.800 -0.005 0.000 2.283 182 Q HA 0.387 4.727 4.340 -0.000 0.000 0.301 182 Q C 1.359 177.355 176.000 -0.007 0.000 1.063 182 Q CA 1.789 57.589 55.803 -0.005 0.000 0.952 182 Q CB -0.131 28.604 28.738 -0.006 0.000 1.166 182 Q HN 1.276 nan 8.270 nan 0.000 0.381 183 G N 3.236 112.031 108.800 -0.008 0.000 2.349 183 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.213 183 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.213 183 G C -0.106 174.788 174.900 -0.011 0.000 1.044 183 G CA -0.071 45.023 45.100 -0.010 0.000 0.633 183 G HN 0.654 nan 8.290 nan 0.000 0.506 184 D N 0.377 120.772 120.400 -0.009 0.000 2.361 184 D HA 0.433 5.073 4.640 -0.000 0.000 0.239 184 D C 0.933 177.227 176.300 -0.010 0.000 1.200 184 D CA 0.571 54.565 54.000 -0.010 0.000 0.915 184 D CB 0.930 41.725 40.800 -0.008 0.000 1.170 184 D HN 0.598 nan 8.370 nan 0.000 0.444 185 C N 3.374 122.666 119.300 -0.013 0.000 2.514 185 C HA 0.466 4.926 4.460 -0.000 0.000 0.392 185 C C -1.966 173.017 174.990 -0.012 0.000 1.294 185 C CA -1.349 57.660 59.018 -0.015 0.000 1.957 185 C CB -0.453 27.273 27.740 -0.022 0.000 2.541 185 C HN 0.455 nan 8.230 nan 0.000 0.569 186 P HA 0.407 nan 4.420 nan 0.000 0.276 186 P C -2.794 174.504 177.300 -0.004 0.000 1.252 186 P CA -1.054 62.045 63.100 -0.002 0.000 0.802 186 P CB 0.362 32.065 31.700 0.004 0.000 1.035 187 P HA 0.244 nan 4.420 nan 0.000 0.284 187 P C -0.705 176.616 177.300 0.035 0.000 1.253 187 P CA -0.276 62.831 63.100 0.011 0.000 0.800 187 P CB 0.803 32.513 31.700 0.017 0.000 0.961 188 L N 2.172 123.421 121.223 0.044 0.000 2.307 188 L HA 0.445 4.785 4.340 -0.000 0.000 0.282 188 L C 0.735 177.783 176.870 0.296 0.000 1.051 188 L CA -0.040 54.887 54.840 0.144 0.000 0.804 188 L CB 0.550 42.611 42.059 0.004 0.000 1.197 188 L HN 0.578 nan 8.230 nan 0.000 0.431 189 E N 2.639 123.021 120.200 0.304 0.000 2.224 189 E HA 0.315 4.665 4.350 -0.000 0.000 0.265 189 E C -1.389 175.159 176.600 -0.087 0.000 0.878 189 E CA -0.928 55.569 56.400 0.162 0.000 0.759 189 E CB 2.352 32.071 29.700 0.032 0.000 1.164 189 E HN 0.383 nan 8.360 nan 0.000 0.414 190 L N 4.350 125.331 121.223 -0.405 0.000 2.360 190 L HA 0.277 4.617 4.340 -0.000 0.000 0.276 190 L C -0.748 175.803 176.870 -0.532 0.000 1.121 190 L CA 0.611 54.879 54.840 -0.953 0.000 0.845 190 L CB 0.333 41.820 42.059 -0.953 0.000 1.143 190 L HN 0.454 nan 8.230 nan 0.000 0.452 191 K N 4.320 124.365 120.400 -0.592 0.000 2.413 191 K HA 0.395 4.715 4.320 -0.000 0.000 0.257 191 K C -0.852 175.606 176.600 -0.236 0.000 0.946 191 K CA -0.835 55.225 56.287 -0.378 0.000 0.823 191 K CB 1.197 33.455 32.500 -0.402 0.000 1.109 191 K HN 0.590 nan 8.250 nan 0.000 0.427 192 N N 1.223 119.838 118.700 -0.142 0.000 2.515 192 N HA 0.283 5.023 4.740 -0.000 0.000 0.279 192 N C -0.331 175.156 175.510 -0.038 0.000 1.164 192 N CA 0.231 53.229 53.050 -0.086 0.000 0.982 192 N CB 1.812 40.249 38.487 -0.083 0.000 1.170 192 N HN 0.571 nan 8.380 nan 0.000 0.474 193 T N -1.066 113.467 114.554 -0.035 0.000 2.775 193 T HA 0.260 4.610 4.350 -0.000 0.000 0.320 193 T C -1.259 173.397 174.700 -0.073 0.000 1.597 193 T CA -0.616 61.465 62.100 -0.032 0.000 1.022 193 T CB 0.488 69.358 68.868 0.003 0.000 1.485 193 T HN 0.020 nan 8.240 nan 0.000 0.494 194 V N 3.441 123.315 119.914 -0.068 0.000 2.686 194 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 194 V C 0.417 176.440 176.094 -0.120 0.000 1.055 194 V CA -0.479 61.769 62.300 -0.086 0.000 1.050 194 V CB 1.037 32.838 31.823 -0.037 0.000 0.984 194 V HN 0.706 nan 8.190 nan 0.000 0.482 195 L N 5.262 126.390 121.223 -0.157 0.000 2.295 195 L HA 0.342 4.682 4.340 -0.000 0.000 0.288 195 L C 0.443 177.278 176.870 -0.058 0.000 1.079 195 L CA 0.006 54.705 54.840 -0.236 0.000 0.830 195 L CB 0.194 42.003 42.059 -0.416 0.000 1.200 195 L HN 0.728 nan 8.230 nan 0.000 0.438 196 E N 1.439 121.602 120.200 -0.061 0.000 2.250 196 E HA 0.196 4.546 4.350 -0.000 0.000 0.265 196 E C -0.862 175.766 176.600 0.047 0.000 1.033 196 E CA -0.939 55.459 56.400 -0.003 0.000 0.888 196 E CB 1.195 30.800 29.700 -0.159 0.000 1.151 196 E HN 0.374 nan 8.360 nan 0.000 0.412 197 D N -0.628 119.834 120.400 0.103 0.000 2.424 197 D HA 0.232 4.872 4.640 -0.000 0.000 0.244 197 D C 0.836 177.169 176.300 0.055 0.000 1.134 197 D CA 1.776 55.831 54.000 0.091 0.000 0.881 197 D CB 0.465 41.328 40.800 0.106 0.000 1.191 197 D HN 0.566 nan 8.370 nan 0.000 0.445 198 G N 3.446 112.301 108.800 0.092 0.000 2.313 198 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 198 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 198 G C 0.054 175.028 174.900 0.124 0.000 1.023 198 G CA -0.004 45.148 45.100 0.086 0.000 0.626 198 G HN 0.639 nan 8.290 nan 0.000 0.503 199 D N 2.182 122.659 120.400 0.128 0.000 2.449 199 D HA 0.359 4.999 4.640 -0.000 0.000 0.236 199 D C 1.144 177.626 176.300 0.304 0.000 1.149 199 D CA 0.479 54.571 54.000 0.154 0.000 0.878 199 D CB 0.388 41.217 40.800 0.048 0.000 1.198 199 D HN 0.157 nan 8.370 nan 0.000 0.446 200 M N 1.251 121.005 119.600 0.257 0.000 2.314 200 M HA 0.218 4.698 4.480 -0.000 0.000 0.342 200 M C 0.323 176.820 176.300 0.328 0.000 1.171 200 M CA -0.892 54.562 55.300 0.257 0.000 1.098 200 M CB 1.218 33.930 32.600 0.187 0.000 1.559 200 M HN 0.175 nan 8.290 nan 0.000 0.459 201 V N -0.742 119.289 119.914 0.196 0.000 3.262 201 V HA 0.464 4.584 4.120 -0.000 0.000 0.313 201 V C -0.196 176.015 176.094 0.196 0.000 1.070 201 V CA -1.003 61.398 62.300 0.168 0.000 1.049 201 V CB 1.087 32.843 31.823 -0.111 0.000 1.157 201 V HN 0.865 nan 8.190 nan 0.000 0.454 202 D N 1.029 121.579 120.400 0.250 0.000 2.417 202 D HA 0.224 4.863 4.640 -0.000 0.000 0.250 202 D C 1.097 177.452 176.300 0.091 0.000 1.166 202 D CA 0.749 54.864 54.000 0.192 0.000 0.881 202 D CB 1.236 42.131 40.800 0.158 0.000 1.164 202 D HN 0.972 nan 8.370 nan 0.000 0.467 203 T N 0.615 115.162 114.554 -0.011 0.000 3.054 203 T HA 0.388 4.737 4.350 -0.000 0.000 0.255 203 T C 1.324 176.005 174.700 -0.033 0.000 1.035 203 T CA 0.099 62.069 62.100 -0.217 0.000 0.941 203 T CB 0.318 68.597 68.868 -0.981 0.000 1.026 203 T HN 0.710 nan 8.240 nan 0.000 0.533 204 G N 0.603 109.423 108.800 0.033 0.000 2.175 204 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.182 204 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.182 204 G C 0.059 174.878 174.900 -0.136 0.000 1.003 204 G CA -0.206 44.866 45.100 -0.048 0.000 0.666 204 G HN 0.522 nan 8.290 nan 0.000 0.506 205 Y N 1.079 121.449 120.300 0.116 0.000 2.696 205 Y HA 0.471 5.021 4.550 -0.000 0.000 0.260 205 Y C 1.486 177.571 175.900 0.309 0.000 1.165 205 Y CA 0.500 58.724 58.100 0.206 0.000 1.189 205 Y CB 0.977 39.541 38.460 0.173 0.000 1.180 205 Y HN 1.072 nan 8.280 nan 0.000 0.538 206 G N 1.011 109.993 108.800 0.304 0.000 2.733 206 G HA2 0.037 3.997 3.960 -0.000 0.000 0.686 206 G HA3 0.037 3.997 3.960 -0.000 0.000 0.686 206 G C -0.498 174.582 174.900 0.299 0.000 1.373 206 G CA -0.596 44.649 45.100 0.242 0.000 0.838 206 G HN 0.589 nan 8.290 nan 0.000 0.588 207 A N 1.577 124.546 122.820 0.248 0.000 2.621 207 A HA 0.785 5.105 4.320 -0.000 0.000 0.329 207 A C 0.561 178.282 177.584 0.228 0.000 1.458 207 A CA 0.844 53.039 52.037 0.262 0.000 1.052 207 A CB -0.496 18.671 19.000 0.280 0.000 1.142 207 A HN 1.906 nan 8.150 nan 0.000 0.523 208 M N -0.188 119.402 119.600 -0.017 0.000 2.843 208 M HA 0.573 5.053 4.480 -0.000 0.000 0.273 208 M C -1.324 174.819 176.300 -0.261 0.000 1.286 208 M CA -0.891 54.349 55.300 -0.100 0.000 0.807 208 M CB 1.370 33.821 32.600 -0.247 0.000 1.684 208 M HN 0.187 nan 8.290 nan 0.000 0.458 209 D N 0.692 121.046 120.400 -0.077 0.000 2.522 209 D HA 0.336 4.976 4.640 -0.000 0.000 0.218 209 D C -0.008 176.243 176.300 -0.082 0.000 1.149 209 D CA -0.272 53.721 54.000 -0.011 0.000 0.981 209 D CB -0.234 40.644 40.800 0.131 0.000 1.041 209 D HN 0.550 nan 8.370 nan 0.000 0.518 210 F N 1.061 121.070 119.950 0.097 0.000 2.307 210 F HA -0.199 4.328 4.527 -0.000 0.000 0.301 210 F C 2.692 178.523 175.800 0.051 0.000 1.076 210 F CA 1.034 59.073 58.000 0.065 0.000 1.383 210 F CB -0.326 38.700 39.000 0.044 0.000 1.055 210 F HN 0.350 nan 8.300 nan 0.000 0.526 211 S N -1.027 114.795 115.700 0.203 0.000 2.453 211 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 211 S C 1.787 176.441 174.600 0.090 0.000 1.005 211 S CA 1.310 59.590 58.200 0.133 0.000 0.949 211 S CB -0.918 62.346 63.200 0.107 0.000 0.774 211 S HN 0.467 nan 8.310 nan 0.000 0.510 212 T N -2.404 112.196 114.554 0.076 0.000 3.010 212 T HA 0.406 4.756 4.350 -0.000 0.000 0.257 212 T C 1.108 175.833 174.700 0.041 0.000 1.020 212 T CA -0.240 61.892 62.100 0.053 0.000 0.938 212 T CB 0.019 68.917 68.868 0.050 0.000 1.049 212 T HN 0.221 nan 8.240 nan 0.000 0.522 213 L N 0.571 121.818 121.223 0.039 0.000 2.609 213 L HA 0.481 4.821 4.340 -0.000 0.000 0.230 213 L C 0.453 177.347 176.870 0.039 0.000 1.087 213 L CA 0.625 55.479 54.840 0.023 0.000 0.874 213 L CB 0.139 42.192 42.059 -0.011 0.000 1.114 213 L HN 0.327 nan 8.230 nan 0.000 0.488 214 Q N -0.572 119.271 119.800 0.072 0.000 2.347 214 Q HA 0.192 4.532 4.340 -0.000 0.000 0.265 214 Q C -0.324 175.706 176.000 0.050 0.000 1.024 214 Q CA -0.283 55.562 55.803 0.070 0.000 0.731 214 Q CB 1.555 30.369 28.738 0.127 0.000 1.245 214 Q HN -0.011 nan 8.270 nan 0.000 0.472 215 D N 0.434 120.847 120.400 0.023 0.000 2.277 215 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 215 D C 1.276 177.577 176.300 0.002 0.000 0.962 215 D CA 1.047 55.055 54.000 0.013 0.000 0.865 215 D CB 0.432 41.233 40.800 0.001 0.000 0.939 215 D HN 0.428 nan 8.370 nan 0.000 0.510 216 T N 0.495 115.041 114.554 -0.013 0.000 2.746 216 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 216 T C 0.858 175.542 174.700 -0.026 0.000 1.039 216 T CA 0.965 63.042 62.100 -0.039 0.000 1.142 216 T CB -0.108 68.714 68.868 -0.077 0.000 0.866 216 T HN 0.167 nan 8.240 nan 0.000 0.444 217 K N -0.995 119.404 120.400 -0.003 0.000 3.129 217 K HA -0.151 4.169 4.320 -0.000 0.000 0.273 217 K C -0.269 176.326 176.600 -0.008 0.000 1.123 217 K CA 0.420 56.730 56.287 0.038 0.000 0.800 217 K CB -2.256 30.288 32.500 0.073 0.000 1.238 217 K HN 0.446 nan 8.250 nan 0.000 0.492 218 C N -0.423 118.776 119.300 -0.168 0.000 3.725 218 C HA 0.133 4.593 4.460 -0.000 0.000 0.294 218 C C 1.224 175.930 174.990 -0.474 0.000 2.443 218 C CA -0.726 58.026 59.018 -0.443 0.000 1.613 218 C CB 0.153 27.675 27.740 -0.363 0.000 3.378 218 C HN 0.340 nan 8.230 nan 0.000 0.406 219 E N 1.264 121.266 120.200 -0.329 0.000 2.415 219 E HA 0.152 4.502 4.350 -0.000 0.000 0.197 219 E C 0.720 177.087 176.600 -0.389 0.000 1.007 219 E CA 0.839 57.022 56.400 -0.362 0.000 0.890 219 E CB 0.738 30.363 29.700 -0.125 0.000 0.891 219 E HN 0.629 nan 8.360 nan 0.000 0.496 220 V N -2.367 117.345 119.914 -0.336 0.000 3.159 220 V HA 0.567 4.687 4.120 -0.000 0.000 0.308 220 V C -2.919 173.098 176.094 -0.129 0.000 1.190 220 V CA -3.036 59.000 62.300 -0.440 0.000 1.037 220 V CB 1.754 33.029 31.823 -0.913 0.000 1.060 220 V HN -0.280 nan 8.190 nan 0.000 0.437 221 P HA 0.062 nan 4.420 nan 0.000 0.269 221 P C 0.720 178.040 177.300 0.033 0.000 1.205 221 P CA 0.037 63.153 63.100 0.027 0.000 0.780 221 P CB 0.354 32.080 31.700 0.043 0.000 0.858 222 L N 2.258 123.457 121.223 -0.040 0.000 2.079 222 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 222 L C 1.594 178.499 176.870 0.057 0.000 1.081 222 L CA 2.232 57.030 54.840 -0.070 0.000 0.752 222 L CB -1.394 40.530 42.059 -0.225 0.000 0.896 222 L HN 0.469 nan 8.230 nan 0.000 0.433 223 D N -1.224 119.231 120.400 0.093 0.000 2.312 223 D HA -0.152 4.488 4.640 -0.000 0.000 0.211 223 D C 1.589 177.966 176.300 0.128 0.000 0.964 223 D CA 1.272 55.390 54.000 0.197 0.000 0.877 223 D CB -0.333 40.660 40.800 0.321 0.000 0.924 223 D HN 0.576 nan 8.370 nan 0.000 0.515 224 I N -3.299 117.286 120.570 0.025 0.000 4.081 224 I HA 0.315 4.485 4.170 -0.000 0.000 0.333 224 I C 1.600 177.649 176.117 -0.112 0.000 1.413 224 I CA -0.753 60.513 61.300 -0.056 0.000 1.110 224 I CB -0.018 37.837 38.000 -0.242 0.000 1.082 224 I HN 0.052 nan 8.210 nan 0.000 0.402 225 C N 1.764 121.038 119.300 -0.044 0.000 2.393 225 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 225 C C 2.238 177.280 174.990 0.087 0.000 1.215 225 C CA 1.625 60.645 59.018 0.003 0.000 1.743 225 C CB -0.594 27.193 27.740 0.078 0.000 2.044 225 C HN 0.664 nan 8.230 nan 0.000 0.464 226 Q N 0.551 120.416 119.800 0.107 0.000 2.157 226 Q HA 0.309 4.649 4.340 -0.000 0.000 0.229 226 Q C 0.432 176.512 176.000 0.134 0.000 0.827 226 Q CA 0.047 55.923 55.803 0.122 0.000 1.055 226 Q CB 0.924 29.715 28.738 0.089 0.000 1.157 226 Q HN 0.685 nan 8.270 nan 0.000 0.482 227 S N -0.075 115.723 115.700 0.163 0.000 2.713 227 S HA 0.670 5.140 4.470 -0.000 0.000 0.296 227 S C 0.045 174.766 174.600 0.203 0.000 1.114 227 S CA -0.523 57.770 58.200 0.155 0.000 0.997 227 S CB 1.024 64.310 63.200 0.144 0.000 1.249 227 S HN 0.116 nan 8.310 nan 0.000 0.534 228 I N 0.585 121.237 120.570 0.137 0.000 2.478 228 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 228 I C -1.196 174.981 176.117 0.099 0.000 1.042 228 I CA -0.186 61.156 61.300 0.071 0.000 1.067 228 I CB 1.432 39.346 38.000 -0.143 0.000 1.233 228 I HN 0.525 nan 8.210 nan 0.000 0.431 229 C N 5.764 125.182 119.300 0.197 0.000 2.285 229 C HA 0.516 4.976 4.460 -0.000 0.000 0.335 229 C C 0.369 175.477 174.990 0.197 0.000 1.267 229 C CA -0.924 58.244 59.018 0.249 0.000 1.762 229 C CB -0.483 27.485 27.740 0.382 0.000 2.365 229 C HN 0.664 nan 8.230 nan 0.000 0.527 230 K N 1.777 122.307 120.400 0.217 0.000 2.166 230 K HA 0.594 4.914 4.320 -0.000 0.000 0.245 230 K C -1.277 175.546 176.600 0.372 0.000 0.967 230 K CA -0.593 55.806 56.287 0.187 0.000 0.863 230 K CB 1.812 34.301 32.500 -0.019 0.000 1.107 230 K HN 0.621 nan 8.250 nan 0.000 0.436 231 Y N 1.316 121.698 120.300 0.137 0.000 2.442 231 Y HA 0.314 4.864 4.550 -0.000 0.000 0.344 231 Y C -2.689 173.214 175.900 0.004 0.000 0.976 231 Y CA -2.618 55.580 58.100 0.163 0.000 1.040 231 Y CB 1.684 40.242 38.460 0.162 0.000 1.228 231 Y HN 0.404 nan 8.280 nan 0.000 0.451 232 P HA -0.049 nan 4.420 nan 0.000 0.264 232 P C -0.635 176.220 177.300 -0.742 0.000 1.183 232 P CA 0.525 63.148 63.100 -0.795 0.000 0.763 232 P CB 0.519 31.431 31.700 -1.313 0.000 0.807 233 D N 2.604 122.734 120.400 -0.450 0.000 2.767 233 D HA 0.051 4.691 4.640 -0.000 0.000 0.241 233 D C 0.626 176.819 176.300 -0.179 0.000 1.187 233 D CA -0.266 53.605 54.000 -0.216 0.000 0.999 233 D CB -0.392 40.332 40.800 -0.126 0.000 1.042 233 D HN 0.302 nan 8.370 nan 0.000 0.510 234 Y N 0.526 120.783 120.300 -0.071 0.000 2.193 234 Y HA -0.246 4.304 4.550 -0.000 0.000 0.285 234 Y C 2.316 178.206 175.900 -0.016 0.000 1.166 234 Y CA 0.828 58.899 58.100 -0.049 0.000 1.181 234 Y CB -0.116 38.318 38.460 -0.043 0.000 0.976 234 Y HN 0.285 nan 8.280 nan 0.000 0.520 235 L N -0.246 121.073 121.223 0.161 0.000 1.989 235 L HA -0.300 4.040 4.340 -0.000 0.000 0.211 235 L C 2.695 179.597 176.870 0.053 0.000 1.071 235 L CA 2.055 56.954 54.840 0.098 0.000 0.749 235 L CB -0.661 41.452 42.059 0.090 0.000 0.890 235 L HN 0.275 nan 8.230 nan 0.000 0.431 236 Q N -0.041 119.773 119.800 0.023 0.000 2.124 236 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 236 Q C 2.219 178.220 176.000 0.001 0.000 0.977 236 Q CA 1.643 57.446 55.803 0.001 0.000 0.850 236 Q CB -0.083 28.640 28.738 -0.026 0.000 0.901 236 Q HN 0.437 nan 8.270 nan 0.000 0.429 237 M N -0.264 119.332 119.600 -0.006 0.000 2.296 237 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 237 M C 1.900 178.218 176.300 0.031 0.000 1.064 237 M CA 1.101 56.400 55.300 -0.002 0.000 1.109 237 M CB 0.217 32.799 32.600 -0.030 0.000 1.396 237 M HN 0.173 nan 8.290 nan 0.000 0.430 238 S N 0.408 116.135 115.700 0.045 0.000 2.446 238 S HA 0.091 4.561 4.470 -0.000 0.000 0.225 238 S C 1.985 176.602 174.600 0.029 0.000 1.016 238 S CA 0.904 59.131 58.200 0.044 0.000 0.943 238 S CB -0.057 63.173 63.200 0.050 0.000 0.786 238 S HN 0.533 nan 8.310 nan 0.000 0.508 239 A N 1.294 124.130 122.820 0.027 0.000 2.067 239 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 239 A C 0.753 178.349 177.584 0.020 0.000 1.156 239 A CA 0.108 52.157 52.037 0.019 0.000 0.683 239 A CB -0.434 18.577 19.000 0.017 0.000 0.808 239 A HN 0.411 nan 8.150 nan 0.000 0.455 240 D N 0.652 121.069 120.400 0.028 0.000 2.648 240 D HA 0.005 4.645 4.640 -0.000 0.000 0.229 240 D C -0.626 175.701 176.300 0.045 0.000 1.119 240 D CA -0.499 53.525 54.000 0.040 0.000 0.850 240 D CB 0.899 41.736 40.800 0.063 0.000 1.169 240 D HN 0.164 nan 8.370 nan 0.000 0.489 241 P HA -0.222 nan 4.420 nan 0.000 0.211 241 P C 1.050 178.347 177.300 -0.006 0.000 1.179 241 P CA 1.537 64.588 63.100 -0.083 0.000 0.910 241 P CB -0.121 31.404 31.700 -0.290 0.000 0.785 242 Y N -0.052 120.353 120.300 0.176 0.000 2.163 242 Y HA 0.098 4.648 4.550 -0.000 0.000 0.288 242 Y C 1.946 178.011 175.900 0.276 0.000 1.136 242 Y CA 1.242 59.482 58.100 0.234 0.000 1.147 242 Y CB -0.910 37.649 38.460 0.165 0.000 0.987 242 Y HN 0.135 nan 8.280 nan 0.000 0.509 243 G N 0.327 109.334 108.800 0.345 0.000 2.248 243 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 243 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 243 G C 0.034 175.108 174.900 0.290 0.000 1.085 243 G CA 0.348 45.606 45.100 0.263 0.000 0.845 243 G HN 0.372 nan 8.290 nan 0.000 0.494 244 D N 0.017 120.576 120.400 0.265 0.000 2.354 244 D HA 0.080 4.720 4.640 -0.000 0.000 0.209 244 D C 2.317 178.629 176.300 0.021 0.000 1.015 244 D CA 0.933 55.077 54.000 0.240 0.000 0.867 244 D CB 0.115 41.080 40.800 0.274 0.000 0.933 244 D HN 0.393 nan 8.370 nan 0.000 0.520 245 S N 0.478 116.175 115.700 -0.006 0.000 2.402 245 S HA -0.065 4.405 4.470 -0.000 0.000 0.229 245 S C 1.106 175.606 174.600 -0.166 0.000 1.021 245 S CA 0.698 58.833 58.200 -0.109 0.000 0.974 245 S CB -0.116 63.043 63.200 -0.070 0.000 0.800 245 S HN 0.434 nan 8.310 nan 0.000 0.484 246 M N -0.600 118.922 119.600 -0.130 0.000 2.355 246 M HA 0.404 4.884 4.480 -0.000 0.000 0.232 246 M C -1.264 175.039 176.300 0.006 0.000 0.988 246 M CA -0.670 54.541 55.300 -0.148 0.000 0.931 246 M CB 0.567 33.146 32.600 -0.034 0.000 2.294 246 M HN -0.006 nan 8.290 nan 0.000 0.459 247 F N 1.146 121.200 119.950 0.173 0.000 2.708 247 F HA 0.764 5.290 4.527 -0.000 0.000 0.300 247 F C -1.008 174.955 175.800 0.271 0.000 1.118 247 F CA -1.392 56.715 58.000 0.178 0.000 1.307 247 F CB -0.032 39.063 39.000 0.158 0.000 0.986 247 F HN 0.511 nan 8.300 nan 0.000 0.522 248 F N 1.226 121.340 119.950 0.273 0.000 2.652 248 F HA 0.514 5.041 4.527 -0.000 0.000 0.320 248 F C -1.856 174.003 175.800 0.099 0.000 1.115 248 F CA -1.579 56.540 58.000 0.198 0.000 1.053 248 F CB 0.988 40.146 39.000 0.262 0.000 1.297 248 F HN 0.133 nan 8.300 nan 0.000 0.471 249 C N 7.651 126.681 119.300 -0.450 0.000 2.752 249 C HA 0.873 5.333 4.460 -0.000 0.000 0.360 249 C C -2.317 172.398 174.990 -0.457 0.000 1.081 249 C CA -0.563 58.288 59.018 -0.279 0.000 1.272 249 C CB 0.472 28.179 27.740 -0.055 0.000 1.754 249 C HN 0.789 nan 8.230 nan 0.000 0.483 250 L N 6.381 127.409 121.223 -0.326 0.000 2.439 250 L HA 0.776 5.116 4.340 -0.000 0.000 0.270 250 L C -0.099 176.681 176.870 -0.149 0.000 0.972 250 L CA -0.098 54.549 54.840 -0.322 0.000 0.836 250 L CB 1.803 43.599 42.059 -0.439 0.000 1.255 250 L HN 0.890 nan 8.230 nan 0.000 0.404 251 R N 2.276 122.690 120.500 -0.144 0.000 2.771 251 R HA 0.961 5.301 4.340 -0.000 0.000 0.274 251 R C -1.001 175.259 176.300 -0.067 0.000 0.987 251 R CA -1.095 54.967 56.100 -0.063 0.000 0.908 251 R CB 2.346 32.602 30.300 -0.072 0.000 1.213 251 R HN 0.495 nan 8.270 nan 0.000 0.468 252 R N 1.395 121.887 120.500 -0.013 0.000 2.658 252 R HA 0.159 4.499 4.340 -0.000 0.000 0.287 252 R C -1.660 174.667 176.300 0.045 0.000 1.209 252 R CA -0.334 55.762 56.100 -0.007 0.000 1.046 252 R CB 1.458 31.732 30.300 -0.043 0.000 1.247 252 R HN 0.994 nan 8.270 nan 0.000 0.405 253 E N 3.842 124.080 120.200 0.063 0.000 2.416 253 E HA 0.484 4.834 4.350 -0.000 0.000 0.273 253 E C -1.528 175.120 176.600 0.080 0.000 0.935 253 E CA -1.063 55.394 56.400 0.095 0.000 0.784 253 E CB 2.724 32.506 29.700 0.136 0.000 1.301 253 E HN 0.596 nan 8.360 nan 0.000 0.454 254 Q N 0.814 120.670 119.800 0.095 0.000 2.617 254 Q HA 0.523 4.863 4.340 -0.000 0.000 0.270 254 Q C -1.462 174.610 176.000 0.119 0.000 0.967 254 Q CA -1.118 54.742 55.803 0.095 0.000 0.887 254 Q CB 1.472 30.262 28.738 0.087 0.000 1.516 254 Q HN 0.624 nan 8.270 nan 0.000 0.395 255 L N -1.302 120.001 121.223 0.133 0.000 3.041 255 L HA 0.891 5.230 4.340 -0.000 0.000 0.278 255 L C -1.689 175.324 176.870 0.238 0.000 1.051 255 L CA -0.853 54.075 54.840 0.146 0.000 0.957 255 L CB 0.604 42.699 42.059 0.060 0.000 1.538 255 L HN 1.125 nan 8.230 nan 0.000 0.393 256 F N -1.245 118.712 119.950 0.012 0.000 2.741 256 F HA 0.898 5.425 4.527 -0.000 0.000 0.311 256 F C -0.942 174.860 175.800 0.002 0.000 1.149 256 F CA -0.633 57.369 58.000 0.004 0.000 0.930 256 F CB 0.980 39.979 39.000 -0.002 0.000 1.312 256 F HN 0.906 nan 8.300 nan 0.000 0.450 257 A N 2.580 125.468 122.820 0.113 0.000 2.347 257 A HA 0.580 4.900 4.320 -0.000 0.000 0.287 257 A C 0.810 178.357 177.584 -0.062 0.000 1.199 257 A CA -0.270 51.784 52.037 0.028 0.000 0.851 257 A CB 0.652 19.821 19.000 0.282 0.000 1.118 257 A HN 0.939 nan 8.150 nan 0.000 0.525 258 R N 1.790 122.082 120.500 -0.346 0.000 2.048 258 R HA 0.118 4.458 4.340 -0.000 0.000 0.221 258 R C -0.208 175.710 176.300 -0.638 0.000 1.174 258 R CA 1.433 57.305 56.100 -0.380 0.000 0.971 258 R CB -0.134 29.981 30.300 -0.309 0.000 0.863 258 R HN 0.834 nan 8.270 nan 0.000 0.439 259 H N -1.613 117.141 119.070 -0.527 0.000 2.690 259 H HA 0.378 4.934 4.556 -0.000 0.000 0.368 259 H C -1.239 173.670 175.328 -0.698 0.000 1.150 259 H CA -0.589 54.971 56.048 -0.812 0.000 1.174 259 H CB 1.507 30.637 29.762 -1.053 0.000 1.684 259 H HN 0.027 nan 8.280 nan 0.000 0.538 260 F N 2.430 122.054 119.950 -0.544 0.000 2.404 260 F HA 0.283 4.810 4.527 -0.000 0.000 0.354 260 F C -0.450 175.212 175.800 -0.230 0.000 1.122 260 F CA -0.774 57.027 58.000 -0.333 0.000 1.080 260 F CB 1.162 40.060 39.000 -0.170 0.000 1.131 260 F HN 0.230 nan 8.300 nan 0.000 0.471 261 W N 1.502 123.023 121.300 0.367 0.000 2.967 261 W HA 0.351 5.011 4.660 -0.000 0.000 0.342 261 W C -0.644 176.052 176.519 0.296 0.000 1.162 261 W CA -1.142 56.381 57.345 0.297 0.000 1.085 261 W CB 1.256 30.881 29.460 0.275 0.000 1.460 261 W HN 0.408 nan 8.180 nan 0.000 0.584 262 N N 0.259 119.253 118.700 0.490 0.000 2.483 262 N HA 0.487 5.227 4.740 -0.000 0.000 0.285 262 N C -0.790 174.796 175.510 0.127 0.000 1.210 262 N CA -0.645 52.547 53.050 0.237 0.000 0.931 262 N CB 1.221 39.807 38.487 0.165 0.000 1.220 262 N HN -0.047 nan 8.380 nan 0.000 0.542 263 R N 0.959 121.461 120.500 0.004 0.000 2.480 263 R HA 0.433 4.773 4.340 -0.000 0.000 0.306 263 R C -0.933 175.330 176.300 -0.062 0.000 0.958 263 R CA -0.622 55.454 56.100 -0.039 0.000 0.861 263 R CB 1.407 31.674 30.300 -0.053 0.000 1.171 263 R HN 0.603 nan 8.270 nan 0.000 0.445 264 A N 1.248 124.025 122.820 -0.072 0.000 2.386 264 A HA 0.690 5.010 4.320 -0.000 0.000 0.248 264 A C 0.532 178.075 177.584 -0.069 0.000 1.082 264 A CA 0.719 52.716 52.037 -0.066 0.000 0.789 264 A CB 0.367 19.326 19.000 -0.069 0.000 1.025 264 A HN 0.869 nan 8.150 nan 0.000 0.490 265 G N -0.428 108.337 108.800 -0.060 0.000 2.381 265 G HA2 0.450 4.410 3.960 -0.000 0.000 0.672 265 G HA3 0.450 4.410 3.960 -0.000 0.000 0.672 265 G C -0.214 174.655 174.900 -0.052 0.000 1.324 265 G CA -0.069 44.998 45.100 -0.056 0.000 0.975 265 G HN 2.043 nan 8.290 nan 0.000 0.593 266 T N -0.811 113.716 114.554 -0.045 0.000 2.910 266 T HA 0.586 4.936 4.350 -0.000 0.000 0.293 266 T C 0.873 175.546 174.700 -0.044 0.000 1.015 266 T CA -0.558 61.517 62.100 -0.041 0.000 1.094 266 T CB 0.977 69.827 68.868 -0.031 0.000 0.968 266 T HN 0.606 nan 8.240 nan 0.000 0.521 267 M N 3.505 123.078 119.600 -0.045 0.000 2.194 267 M HA 0.230 4.710 4.480 -0.000 0.000 0.347 267 M C 1.679 177.959 176.300 -0.033 0.000 1.439 267 M CA -0.398 54.874 55.300 -0.047 0.000 1.131 267 M CB 0.167 32.737 32.600 -0.050 0.000 1.733 267 M HN 1.091 nan 8.290 nan 0.000 0.467 268 G N 3.665 112.445 108.800 -0.033 0.000 2.511 268 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 268 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 268 G C 0.294 175.183 174.900 -0.019 0.000 1.218 268 G CA 0.417 45.502 45.100 -0.025 0.000 0.788 268 G HN 0.620 nan 8.290 nan 0.000 0.560 269 D N 1.034 121.422 120.400 -0.020 0.000 2.264 269 D HA 0.340 4.980 4.640 -0.000 0.000 0.250 269 D C -0.150 176.147 176.300 -0.005 0.000 1.113 269 D CA 0.224 54.217 54.000 -0.012 0.000 0.871 269 D CB 1.342 42.134 40.800 -0.013 0.000 1.167 269 D HN -0.005 nan 8.370 nan 0.000 0.447 270 T N 0.834 115.393 114.554 0.007 0.000 2.817 270 T HA 0.194 4.544 4.350 -0.000 0.000 0.293 270 T C 0.669 175.397 174.700 0.047 0.000 0.964 270 T CA -0.728 61.386 62.100 0.023 0.000 1.085 270 T CB 1.148 70.033 68.868 0.028 0.000 0.921 270 T HN 0.033 nan 8.240 nan 0.000 0.502 271 V N 6.526 126.480 119.914 0.067 0.000 2.434 271 V HA 0.082 4.202 4.120 -0.000 0.000 0.281 271 V C -1.781 174.438 176.094 0.207 0.000 1.005 271 V CA -1.331 61.042 62.300 0.123 0.000 1.089 271 V CB -0.610 31.275 31.823 0.104 0.000 0.978 271 V HN 0.752 nan 8.190 nan 0.000 0.474 272 P HA -0.014 nan 4.420 nan 0.000 0.260 272 P C 0.862 178.185 177.300 0.039 0.000 1.172 272 P CA 0.191 63.337 63.100 0.077 0.000 0.760 272 P CB 0.412 32.140 31.700 0.048 0.000 0.773 273 Q N 1.836 121.580 119.800 -0.092 0.000 2.234 273 Q HA -0.128 4.212 4.340 -0.000 0.000 0.206 273 Q C 1.517 177.294 176.000 -0.372 0.000 0.980 273 Q CA 1.898 57.479 55.803 -0.371 0.000 0.869 273 Q CB -0.353 28.239 28.738 -0.244 0.000 0.912 273 Q HN 0.601 nan 8.270 nan 0.000 0.436 274 S N -0.698 114.903 115.700 -0.165 0.000 2.660 274 S HA 0.056 4.526 4.470 -0.000 0.000 0.228 274 S C 1.446 176.006 174.600 -0.067 0.000 0.966 274 S CA 0.179 58.312 58.200 -0.111 0.000 0.940 274 S CB -0.130 63.037 63.200 -0.056 0.000 0.773 274 S HN 0.275 nan 8.310 nan 0.000 0.535 275 L N 0.171 121.367 121.223 -0.045 0.000 2.766 275 L HA 0.424 4.764 4.340 -0.000 0.000 0.242 275 L C -0.016 176.982 176.870 0.214 0.000 1.136 275 L CA -0.422 54.477 54.840 0.097 0.000 0.933 275 L CB 0.114 42.275 42.059 0.170 0.000 1.241 275 L HN 0.607 nan 8.230 nan 0.000 0.522 276 Y N -2.836 117.471 120.300 0.011 0.000 2.788 276 Y HA 0.608 5.158 4.550 -0.000 0.000 0.335 276 Y C -1.242 174.664 175.900 0.011 0.000 1.287 276 Y CA -1.660 56.447 58.100 0.013 0.000 1.068 276 Y CB 0.944 39.414 38.460 0.017 0.000 1.340 276 Y HN -0.233 nan 8.280 nan 0.000 0.449 277 I N 2.504 123.220 120.570 0.243 0.000 2.410 277 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 277 I C -0.543 175.708 176.117 0.223 0.000 1.009 277 I CA -1.009 60.357 61.300 0.111 0.000 1.111 277 I CB 1.755 39.799 38.000 0.073 0.000 1.262 277 I HN 0.516 nan 8.210 nan 0.000 0.443 278 K N 3.466 123.963 120.400 0.160 0.000 2.518 278 K HA 0.198 4.518 4.320 -0.000 0.000 0.276 278 K C 0.523 177.196 176.600 0.122 0.000 0.974 278 K CA 0.203 56.609 56.287 0.198 0.000 0.986 278 K CB 0.781 33.349 32.500 0.113 0.000 0.901 278 K HN 0.849 nan 8.250 nan 0.000 0.497 279 G N 0.467 109.331 108.800 0.107 0.000 3.122 279 G HA2 0.510 4.470 3.960 -0.000 0.000 0.180 279 G HA3 0.510 4.470 3.960 -0.000 0.000 0.180 279 G C -0.771 174.160 174.900 0.051 0.000 1.279 279 G CA -0.390 44.750 45.100 0.067 0.000 0.987 279 G HN 0.612 nan 8.290 nan 0.000 0.589 280 T N -3.644 110.932 114.554 0.038 0.000 2.887 280 T HA 0.704 5.054 4.350 -0.000 0.000 0.292 280 T C 0.811 175.526 174.700 0.025 0.000 1.087 280 T CA 0.538 62.655 62.100 0.030 0.000 1.009 280 T CB 1.296 70.178 68.868 0.024 0.000 1.203 280 T HN 2.344 nan 8.240 nan 0.000 0.518 281 G N 1.683 110.495 108.800 0.020 0.000 2.566 281 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.280 281 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.280 281 G C 0.986 175.895 174.900 0.015 0.000 1.225 281 G CA 1.125 46.235 45.100 0.016 0.000 0.966 281 G HN 1.575 nan 8.290 nan 0.000 0.560 282 M N -0.692 118.916 119.600 0.013 0.000 2.149 282 M HA 0.103 4.583 4.480 -0.000 0.000 0.261 282 M C 2.229 178.534 176.300 0.008 0.000 1.064 282 M CA 2.465 57.770 55.300 0.009 0.000 1.102 282 M CB -0.279 32.326 32.600 0.009 0.000 1.369 282 M HN 0.394 nan 8.290 nan 0.000 0.408 283 R N 0.865 121.372 120.500 0.013 0.000 2.343 283 R HA 0.180 4.520 4.340 -0.000 0.000 0.202 283 R C 1.998 178.313 176.300 0.025 0.000 1.023 283 R CA 0.378 56.486 56.100 0.013 0.000 1.084 283 R CB -0.263 30.049 30.300 0.020 0.000 0.956 283 R HN 0.614 nan 8.270 nan 0.000 0.478 284 A N 0.062 122.899 122.820 0.029 0.000 1.874 284 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 284 A C 1.141 178.764 177.584 0.065 0.000 1.189 284 A CA 0.870 52.936 52.037 0.049 0.000 0.615 284 A CB 0.165 19.188 19.000 0.038 0.000 0.830 284 A HN 0.219 nan 8.150 nan 0.000 0.443 285 S N 0.430 116.148 115.700 0.030 0.000 2.503 285 S HA 0.565 5.035 4.470 -0.000 0.000 0.301 285 S C -2.875 171.689 174.600 -0.060 0.000 1.087 285 S CA -1.778 56.432 58.200 0.018 0.000 1.042 285 S CB 1.209 64.421 63.200 0.020 0.000 1.043 285 S HN 0.240 nan 8.310 nan 0.000 0.489 286 P HA 0.247 nan 4.420 nan 0.000 0.268 286 P C 0.473 177.698 177.300 -0.126 0.000 1.205 286 P CA -0.150 62.808 63.100 -0.238 0.000 0.771 286 P CB 0.376 31.807 31.700 -0.448 0.000 0.858 287 G N 1.324 110.062 108.800 -0.103 0.000 2.582 287 G HA2 0.206 4.166 3.960 -0.000 0.000 0.232 287 G HA3 0.206 4.166 3.960 -0.000 0.000 0.232 287 G C -0.268 174.573 174.900 -0.097 0.000 1.458 287 G CA -0.447 44.610 45.100 -0.072 0.000 1.062 287 G HN 0.587 nan 8.290 nan 0.000 0.566 288 S N -1.954 113.685 115.700 -0.102 0.000 2.549 288 S HA 0.201 4.671 4.470 -0.000 0.000 0.283 288 S C 0.325 174.742 174.600 -0.305 0.000 1.320 288 S CA -0.532 57.568 58.200 -0.168 0.000 1.058 288 S CB 0.029 63.140 63.200 -0.148 0.000 0.882 288 S HN 0.529 nan 8.310 nan 0.000 0.498 289 C N 4.964 124.042 119.300 -0.370 0.000 2.859 289 C HA 0.368 4.828 4.460 -0.000 0.000 0.256 289 C C -0.394 174.231 174.990 -0.609 0.000 1.660 289 C CA -0.697 57.994 59.018 -0.546 0.000 1.755 289 C CB -1.116 26.512 27.740 -0.185 0.000 3.127 289 C HN 0.628 nan 8.230 nan 0.000 0.494 290 V N 1.813 121.378 119.914 -0.582 0.000 2.293 290 V HA 0.374 4.494 4.120 -0.000 0.000 0.275 290 V C -0.735 175.171 176.094 -0.313 0.000 1.021 290 V CA -0.322 61.790 62.300 -0.314 0.000 0.815 290 V CB -0.194 31.537 31.823 -0.154 0.000 1.025 290 V HN 0.455 nan 8.190 nan 0.000 0.448 291 Y N 2.156 122.477 120.300 0.035 0.000 2.419 291 Y HA 0.710 5.260 4.550 -0.000 0.000 0.328 291 Y C 0.691 176.633 175.900 0.070 0.000 1.162 291 Y CA -0.644 57.492 58.100 0.060 0.000 1.174 291 Y CB 2.123 40.588 38.460 0.009 0.000 1.228 291 Y HN 0.619 nan 8.280 nan 0.000 0.473 292 S N 2.359 118.241 115.700 0.304 0.000 2.649 292 S HA 0.541 5.011 4.470 -0.000 0.000 0.274 292 S C -3.360 171.390 174.600 0.250 0.000 1.176 292 S CA -1.441 56.903 58.200 0.241 0.000 0.988 292 S CB 2.235 65.608 63.200 0.288 0.000 1.071 292 S HN 0.388 nan 8.310 nan 0.000 0.478 293 P HA 0.401 nan 4.420 nan 0.000 0.284 293 P C -0.390 176.898 177.300 -0.020 0.000 1.258 293 P CA -0.493 62.633 63.100 0.045 0.000 0.824 293 P CB 1.383 33.082 31.700 -0.002 0.000 1.038 294 S N 2.183 117.812 115.700 -0.117 0.000 2.513 294 S HA 0.423 4.893 4.470 -0.000 0.000 0.276 294 S C -1.988 172.499 174.600 -0.189 0.000 1.254 294 S CA -1.237 56.916 58.200 -0.077 0.000 1.053 294 S CB 0.165 63.309 63.200 -0.094 0.000 0.958 294 S HN 0.355 nan 8.310 nan 0.000 0.491 295 P HA 0.384 nan 4.420 nan 0.000 0.275 295 P C -0.541 176.609 177.300 -0.250 0.000 1.266 295 P CA -0.514 62.453 63.100 -0.221 0.000 0.793 295 P CB 0.959 32.558 31.700 -0.169 0.000 1.074 296 S N -1.118 114.396 115.700 -0.309 0.000 2.581 296 S HA 0.474 4.944 4.470 -0.000 0.000 0.306 296 S C -0.736 173.734 174.600 -0.218 0.000 1.080 296 S CA -0.625 57.360 58.200 -0.359 0.000 0.925 296 S CB -0.248 62.501 63.200 -0.752 0.000 1.128 296 S HN 0.673 nan 8.310 nan 0.000 0.451 297 G N 2.766 111.575 108.800 0.016 0.000 2.325 297 G HA2 0.504 4.464 3.960 -0.000 0.000 0.298 297 G HA3 0.504 4.464 3.960 -0.000 0.000 0.298 297 G C 0.573 175.605 174.900 0.219 0.000 1.134 297 G CA 0.006 45.191 45.100 0.142 0.000 0.876 297 G HN 0.804 nan 8.290 nan 0.000 0.452 298 S N 1.567 117.461 115.700 0.323 0.000 2.373 298 S HA 0.124 4.594 4.470 -0.000 0.000 0.219 298 S C 1.097 175.792 174.600 0.159 0.000 1.377 298 S CA -0.336 58.042 58.200 0.297 0.000 1.021 298 S CB -0.235 63.066 63.200 0.168 0.000 0.777 298 S HN 0.400 nan 8.310 nan 0.000 0.463 299 I N 1.066 121.693 120.570 0.096 0.000 2.710 299 I HA 0.113 4.283 4.170 -0.000 0.000 0.286 299 I C -0.071 176.085 176.117 0.065 0.000 1.181 299 I CA 0.206 61.545 61.300 0.065 0.000 1.430 299 I CB 0.780 38.800 38.000 0.034 0.000 1.367 299 I HN 0.199 nan 8.210 nan 0.000 0.577 300 V N 6.904 126.854 119.914 0.061 0.000 2.347 300 V HA 0.513 4.633 4.120 -0.000 0.000 0.280 300 V C -0.141 175.978 176.094 0.040 0.000 1.021 300 V CA 0.111 62.445 62.300 0.057 0.000 0.847 300 V CB 1.537 33.398 31.823 0.064 0.000 0.990 300 V HN 0.846 nan 8.190 nan 0.000 0.444 301 T N 3.138 117.712 114.554 0.033 0.000 2.916 301 T HA 0.389 4.739 4.350 -0.000 0.000 0.292 301 T C 1.172 175.884 174.700 0.020 0.000 1.055 301 T CA 0.139 62.253 62.100 0.023 0.000 1.009 301 T CB 1.924 70.802 68.868 0.016 0.000 1.118 301 T HN 1.008 nan 8.240 nan 0.000 0.497 302 S N 1.850 117.560 115.700 0.015 0.000 2.428 302 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 302 S C 1.264 175.868 174.600 0.006 0.000 1.014 302 S CA 0.883 59.090 58.200 0.012 0.000 0.957 302 S CB -0.324 62.882 63.200 0.009 0.000 0.784 302 S HN 0.776 nan 8.310 nan 0.000 0.499 303 D N 2.490 122.892 120.400 0.004 0.000 2.221 303 D HA -0.069 4.571 4.640 -0.000 0.000 0.204 303 D C 1.598 177.897 176.300 -0.002 0.000 0.982 303 D CA 1.617 55.617 54.000 -0.000 0.000 0.857 303 D CB -0.304 40.496 40.800 0.000 0.000 0.934 303 D HN 0.702 nan 8.370 nan 0.000 0.475 304 S N -0.316 115.384 115.700 -0.001 0.000 2.574 304 S HA 0.156 4.626 4.470 -0.000 0.000 0.242 304 S C 0.510 175.098 174.600 -0.020 0.000 0.982 304 S CA -0.632 57.563 58.200 -0.008 0.000 0.977 304 S CB 0.574 63.773 63.200 -0.001 0.000 0.814 304 S HN -0.098 nan 8.310 nan 0.000 0.464 305 Q N 0.978 120.768 119.800 -0.017 0.000 2.373 305 Q HA 0.457 4.796 4.340 -0.000 0.000 0.255 305 Q C 0.392 176.343 176.000 -0.082 0.000 0.980 305 Q CA -0.192 55.593 55.803 -0.031 0.000 0.882 305 Q CB 1.075 29.817 28.738 0.006 0.000 1.249 305 Q HN 0.387 nan 8.270 nan 0.000 0.438 306 L N 2.589 123.676 121.223 -0.226 0.000 2.638 306 L HA 0.411 4.751 4.340 -0.000 0.000 0.232 306 L C -0.640 176.004 176.870 -0.377 0.000 1.099 306 L CA 0.425 55.047 54.840 -0.364 0.000 0.883 306 L CB 0.279 41.941 42.059 -0.662 0.000 1.136 306 L HN 0.618 nan 8.230 nan 0.000 0.492 307 F N -1.062 118.950 119.950 0.103 0.000 2.629 307 F HA 0.314 4.841 4.527 -0.000 0.000 0.386 307 F C 1.404 177.194 175.800 -0.016 0.000 1.135 307 F CA -0.774 57.269 58.000 0.071 0.000 1.116 307 F CB 0.328 39.349 39.000 0.035 0.000 1.426 307 F HN -0.157 nan 8.300 nan 0.000 0.501 308 N N -0.703 118.109 118.700 0.187 0.000 2.815 308 N HA -0.223 4.517 4.740 -0.000 0.000 0.247 308 N C -1.047 174.424 175.510 -0.065 0.000 1.030 308 N CA 0.712 53.775 53.050 0.022 0.000 0.881 308 N CB -0.734 37.765 38.487 0.020 0.000 1.134 308 N HN 0.390 nan 8.380 nan 0.000 0.582 309 K N 0.437 120.763 120.400 -0.124 0.000 2.259 309 K HA 0.485 4.805 4.320 -0.000 0.000 0.249 309 K C -2.559 173.705 176.600 -0.560 0.000 0.942 309 K CA -1.654 54.436 56.287 -0.329 0.000 0.816 309 K CB 2.152 34.409 32.500 -0.405 0.000 1.155 309 K HN -0.125 nan 8.250 nan 0.000 0.428 310 P HA 0.222 nan 4.420 nan 0.000 0.282 310 P C -1.413 175.177 177.300 -1.183 0.000 1.259 310 P CA -0.395 62.218 63.100 -0.813 0.000 0.826 310 P CB 0.723 31.969 31.700 -0.758 0.000 1.064 311 Y N -0.464 119.359 120.300 -0.796 0.000 2.457 311 Y HA 0.372 4.922 4.550 -0.000 0.000 0.343 311 Y C -0.557 174.907 175.900 -0.726 0.000 0.994 311 Y CA -0.492 57.249 58.100 -0.598 0.000 1.031 311 Y CB 1.791 40.206 38.460 -0.074 0.000 1.246 311 Y HN 0.353 nan 8.280 nan 0.000 0.449 312 W N 4.586 126.024 121.300 0.229 0.000 2.429 312 W HA 0.630 5.290 4.660 -0.000 0.000 0.314 312 W C -0.973 175.705 176.519 0.266 0.000 1.062 312 W CA -0.913 56.532 57.345 0.166 0.000 1.211 312 W CB 0.918 30.471 29.460 0.155 0.000 1.305 312 W HN 0.275 nan 8.180 nan 0.000 0.476 313 L N 5.761 127.195 121.223 0.352 0.000 2.399 313 L HA 0.124 4.464 4.340 -0.000 0.000 0.257 313 L C 1.769 178.806 176.870 0.279 0.000 1.236 313 L CA -0.657 54.366 54.840 0.305 0.000 1.144 313 L CB -0.774 41.335 42.059 0.083 0.000 1.379 313 L HN 0.662 nan 8.230 nan 0.000 0.414 314 H N 1.566 120.776 119.070 0.233 0.000 2.267 314 H HA -0.037 4.519 4.556 -0.000 0.000 0.297 314 H C -0.032 175.373 175.328 0.127 0.000 1.080 314 H CA 0.886 57.038 56.048 0.173 0.000 1.278 314 H CB -0.083 29.777 29.762 0.164 0.000 1.365 314 H HN 0.384 nan 8.280 nan 0.000 0.489 315 K N 0.369 120.344 120.400 -0.709 0.000 2.652 315 K HA 0.586 4.906 4.320 -0.000 0.000 0.249 315 K C -0.790 175.593 176.600 -0.361 0.000 0.986 315 K CA -0.018 56.041 56.287 -0.379 0.000 0.867 315 K CB 2.862 35.246 32.500 -0.192 0.000 1.201 315 K HN 0.480 nan 8.250 nan 0.000 0.450 316 A N 1.796 124.540 122.820 -0.126 0.000 2.521 316 A HA -0.063 4.257 4.320 -0.000 0.000 0.237 316 A C 1.220 178.822 177.584 0.029 0.000 1.087 316 A CA 0.419 52.466 52.037 0.017 0.000 0.777 316 A CB 0.255 19.309 19.000 0.090 0.000 1.035 316 A HN 0.879 nan 8.150 nan 0.000 0.510 317 Q N 1.032 120.883 119.800 0.085 0.000 2.163 317 Q HA 0.245 4.585 4.340 -0.000 0.000 0.198 317 Q C 1.072 177.092 176.000 0.034 0.000 0.954 317 Q CA 1.247 57.081 55.803 0.053 0.000 0.851 317 Q CB -0.732 28.043 28.738 0.061 0.000 0.928 317 Q HN 0.815 nan 8.270 nan 0.000 0.459 318 G N -0.582 108.270 108.800 0.086 0.000 2.504 318 G HA2 0.131 4.091 3.960 -0.000 0.000 0.257 318 G HA3 0.131 4.091 3.960 -0.000 0.000 0.257 318 G C -0.203 174.732 174.900 0.057 0.000 1.451 318 G CA -0.060 45.075 45.100 0.057 0.000 1.059 318 G HN 0.443 nan 8.290 nan 0.000 0.550 319 H N -1.136 118.050 119.070 0.193 0.000 2.525 319 H HA 0.106 4.662 4.556 -0.000 0.000 0.275 319 H C 0.697 176.162 175.328 0.229 0.000 0.984 319 H CA -0.133 56.036 56.048 0.203 0.000 1.264 319 H CB 0.428 30.336 29.762 0.242 0.000 1.432 319 H HN 0.234 nan 8.280 nan 0.000 0.549 320 N N 1.329 120.271 118.700 0.403 0.000 2.422 320 N HA -0.066 4.674 4.740 -0.000 0.000 0.264 320 N C -0.808 174.821 175.510 0.198 0.000 1.063 320 N CA 0.078 53.344 53.050 0.360 0.000 0.959 320 N CB 0.504 39.295 38.487 0.506 0.000 1.087 320 N HN 0.227 nan 8.380 nan 0.000 0.483 321 N N 2.879 121.591 118.700 0.020 0.000 3.131 321 N HA 0.158 4.898 4.740 -0.000 0.000 0.312 321 N C 0.508 175.804 175.510 -0.358 0.000 1.433 321 N CA 0.344 53.323 53.050 -0.119 0.000 1.141 321 N CB -0.426 38.019 38.487 -0.070 0.000 1.431 321 N HN 0.865 nan 8.380 nan 0.000 0.523 322 G N 0.040 108.331 108.800 -0.848 0.000 2.162 322 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 322 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 322 G C 0.124 174.680 174.900 -0.572 0.000 0.976 322 G CA 0.239 44.563 45.100 -1.293 0.000 0.655 322 G HN 0.321 nan 8.290 nan 0.000 0.533 323 V N 1.140 120.824 119.914 -0.383 0.000 2.446 323 V HA 0.223 4.343 4.120 -0.000 0.000 0.276 323 V C 1.219 177.102 176.094 -0.350 0.000 1.030 323 V CA 0.054 62.097 62.300 -0.429 0.000 1.033 323 V CB 0.898 32.283 31.823 -0.729 0.000 0.993 323 V HN 0.430 nan 8.190 nan 0.000 0.477 324 C N 6.071 125.273 119.300 -0.164 0.000 2.145 324 C HA 0.281 4.741 4.460 -0.000 0.000 0.374 324 C C 0.403 175.428 174.990 0.059 0.000 1.035 324 C CA -1.333 57.715 59.018 0.050 0.000 1.431 324 C CB -1.735 26.078 27.740 0.123 0.000 1.789 324 C HN 0.861 nan 8.230 nan 0.000 0.483 325 W N 2.213 123.658 121.300 0.243 0.000 2.210 325 W HA 0.291 4.950 4.660 -0.000 0.000 0.330 325 W C 1.190 177.877 176.519 0.279 0.000 1.334 325 W CA 0.320 57.789 57.345 0.206 0.000 1.227 325 W CB -0.071 29.518 29.460 0.215 0.000 1.178 325 W HN 0.817 nan 8.180 nan 0.000 0.560 326 H N 0.348 119.603 119.070 0.308 0.000 3.257 326 H HA -0.248 4.308 4.556 -0.000 0.000 0.222 326 H C 0.291 175.699 175.328 0.132 0.000 1.143 326 H CA 1.028 57.176 56.048 0.167 0.000 1.152 326 H CB -1.843 28.017 29.762 0.162 0.000 1.188 326 H HN 0.555 nan 8.280 nan 0.000 0.315 327 N N 0.117 118.946 118.700 0.214 0.000 2.725 327 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 327 N C -0.261 175.280 175.510 0.052 0.000 1.031 327 N CA 1.486 54.607 53.050 0.117 0.000 0.720 327 N CB -0.743 37.791 38.487 0.079 0.000 0.930 327 N HN 0.735 nan 8.380 nan 0.000 0.543 328 Q N -0.672 119.187 119.800 0.098 0.000 2.528 328 Q HA 0.801 5.141 4.340 -0.000 0.000 0.289 328 Q C -1.126 174.889 176.000 0.024 0.000 1.091 328 Q CA -0.898 54.918 55.803 0.021 0.000 0.797 328 Q CB 2.429 31.245 28.738 0.130 0.000 1.466 328 Q HN 0.238 nan 8.270 nan 0.000 0.436 329 L N 0.945 122.093 121.223 -0.126 0.000 2.641 329 L HA 0.492 4.832 4.340 -0.000 0.000 0.261 329 L C -2.120 174.623 176.870 -0.212 0.000 0.926 329 L CA -0.106 54.721 54.840 -0.022 0.000 0.917 329 L CB 1.543 43.563 42.059 -0.066 0.000 1.361 329 L HN 0.481 nan 8.230 nan 0.000 0.417 330 F N 4.747 124.630 119.950 -0.111 0.000 2.426 330 F HA 0.650 5.177 4.527 -0.000 0.000 0.348 330 F C -0.076 175.694 175.800 -0.051 0.000 1.124 330 F CA -0.788 57.117 58.000 -0.158 0.000 1.008 330 F CB 1.943 40.773 39.000 -0.283 0.000 1.139 330 F HN 0.099 nan 8.300 nan 0.000 0.452 331 V N 3.036 123.047 119.914 0.161 0.000 2.334 331 V HA 0.380 4.500 4.120 -0.000 0.000 0.281 331 V C -0.198 176.028 176.094 0.220 0.000 1.016 331 V CA -0.621 61.821 62.300 0.236 0.000 0.832 331 V CB 1.257 33.269 31.823 0.316 0.000 0.999 331 V HN 0.754 nan 8.190 nan 0.000 0.439 332 T N 4.869 119.532 114.554 0.182 0.000 2.749 332 T HA 0.673 5.023 4.350 -0.000 0.000 0.287 332 T C -0.248 174.581 174.700 0.215 0.000 0.970 332 T CA -0.351 61.845 62.100 0.160 0.000 0.980 332 T CB 1.547 70.495 68.868 0.133 0.000 0.924 332 T HN 0.355 nan 8.240 nan 0.000 0.456 333 V N 3.461 123.488 119.914 0.188 0.000 2.876 333 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 333 V C -0.755 175.446 176.094 0.178 0.000 1.085 333 V CA -0.787 61.646 62.300 0.222 0.000 0.945 333 V CB 2.444 34.389 31.823 0.203 0.000 1.017 333 V HN 0.690 nan 8.190 nan 0.000 0.428 334 V N 2.528 122.571 119.914 0.215 0.000 2.612 334 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 334 V C -1.497 174.740 176.094 0.237 0.000 1.059 334 V CA -0.399 61.969 62.300 0.114 0.000 0.886 334 V CB 1.966 33.763 31.823 -0.044 0.000 1.007 334 V HN 1.020 nan 8.190 nan 0.000 0.426 335 D N 2.467 122.980 120.400 0.190 0.000 2.386 335 D HA 0.364 5.004 4.640 -0.000 0.000 0.247 335 D C 0.658 176.998 176.300 0.067 0.000 1.336 335 D CA 0.170 54.309 54.000 0.233 0.000 0.976 335 D CB 1.976 42.949 40.800 0.288 0.000 1.257 335 D HN 0.606 nan 8.370 nan 0.000 0.570 336 T N -0.499 114.063 114.554 0.015 0.000 3.122 336 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 336 T C 1.433 176.114 174.700 -0.033 0.000 1.067 336 T CA 0.566 62.581 62.100 -0.141 0.000 0.966 336 T CB -0.164 68.589 68.868 -0.192 0.000 1.002 336 T HN 0.317 nan 8.240 nan 0.000 0.542 337 T N -0.164 114.417 114.554 0.044 0.000 3.160 337 T HA 0.208 4.558 4.350 -0.000 0.000 0.257 337 T C 0.907 175.634 174.700 0.045 0.000 1.147 337 T CA -0.245 61.891 62.100 0.059 0.000 1.064 337 T CB -0.327 68.589 68.868 0.080 0.000 0.949 337 T HN 0.390 nan 8.240 nan 0.000 0.526 338 R N 1.351 121.870 120.500 0.031 0.000 2.629 338 R HA 0.300 4.640 4.340 -0.000 0.000 0.277 338 R C 0.275 176.624 176.300 0.081 0.000 1.637 338 R CA -0.022 56.105 56.100 0.045 0.000 1.663 338 R CB 0.884 31.199 30.300 0.025 0.000 1.228 338 R HN 0.419 nan 8.270 nan 0.000 0.632 339 S N -1.667 114.041 115.700 0.014 0.000 2.650 339 S HA 0.000 4.470 4.470 -0.000 0.000 0.240 339 S C 0.677 175.196 174.600 -0.135 0.000 1.007 339 S CA -0.543 57.587 58.200 -0.118 0.000 0.984 339 S CB 0.277 63.390 63.200 -0.144 0.000 0.910 339 S HN 0.311 nan 8.310 nan 0.000 0.509 340 T N 2.327 116.882 114.554 0.001 0.000 2.871 340 T HA 0.169 4.519 4.350 -0.000 0.000 0.296 340 T C -0.290 174.424 174.700 0.022 0.000 0.998 340 T CA -0.199 61.908 62.100 0.013 0.000 1.162 340 T CB -0.283 68.610 68.868 0.042 0.000 0.947 340 T HN 0.449 nan 8.240 nan 0.000 0.536 341 N N 2.760 121.449 118.700 -0.018 0.000 2.469 341 N HA 0.347 5.087 4.740 -0.000 0.000 0.253 341 N C -0.147 175.374 175.510 0.019 0.000 0.970 341 N CA -0.743 52.301 53.050 -0.011 0.000 0.940 341 N CB 0.983 39.417 38.487 -0.088 0.000 1.128 341 N HN 0.512 nan 8.380 nan 0.000 0.503 342 L N 1.582 122.832 121.223 0.044 0.000 2.506 342 L HA 0.067 4.407 4.340 -0.000 0.000 0.281 342 L C 0.538 177.428 176.870 0.033 0.000 1.228 342 L CA 0.382 55.244 54.840 0.037 0.000 0.850 342 L CB 0.016 42.098 42.059 0.038 0.000 1.110 342 L HN 0.448 nan 8.230 nan 0.000 0.496 343 T N 3.523 118.102 114.554 0.042 0.000 2.786 343 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 343 T C -0.381 174.365 174.700 0.076 0.000 0.992 343 T CA -0.329 61.806 62.100 0.057 0.000 0.954 343 T CB 1.146 70.043 68.868 0.048 0.000 0.934 343 T HN 0.160 nan 8.240 nan 0.000 0.440 344 I N 3.075 123.714 120.570 0.115 0.000 2.740 344 I HA 0.712 4.882 4.170 -0.000 0.000 0.303 344 I C -0.220 176.027 176.117 0.217 0.000 1.044 344 I CA -0.707 60.671 61.300 0.130 0.000 1.064 344 I CB 1.854 39.907 38.000 0.087 0.000 1.249 344 I HN 0.861 nan 8.210 nan 0.000 0.433 345 C N 2.785 122.209 119.300 0.207 0.000 2.931 345 C HA 0.966 5.426 4.460 -0.000 0.000 0.370 345 C C -0.555 174.586 174.990 0.252 0.000 1.071 345 C CA -0.842 58.348 59.018 0.287 0.000 1.266 345 C CB 0.483 28.386 27.740 0.271 0.000 1.691 345 C HN 1.084 nan 8.230 nan 0.000 0.511 346 A N 2.514 125.482 122.820 0.247 0.000 2.380 346 A HA 0.984 5.304 4.320 -0.000 0.000 0.315 346 A C 0.061 177.650 177.584 0.009 0.000 1.101 346 A CA 0.082 52.191 52.037 0.120 0.000 0.771 346 A CB 1.379 20.419 19.000 0.066 0.000 1.287 346 A HN 2.173 nan 8.150 nan 0.000 0.436 347 S N 0.102 115.691 115.700 -0.186 0.000 2.616 347 S HA 0.427 4.897 4.470 -0.000 0.000 0.277 347 S C 0.719 175.164 174.600 -0.259 0.000 1.234 347 S CA 0.264 58.166 58.200 -0.497 0.000 1.028 347 S CB 1.116 63.883 63.200 -0.721 0.000 0.988 347 S HN 0.615 nan 8.310 nan 0.000 0.522 348 T N 1.313 115.709 114.554 -0.264 0.000 2.812 348 T HA 0.001 4.351 4.350 -0.000 0.000 0.264 348 T C 0.560 175.187 174.700 -0.120 0.000 1.042 348 T CA 1.027 63.046 62.100 -0.136 0.000 1.140 348 T CB -0.221 68.583 68.868 -0.108 0.000 0.870 348 T HN 0.590 nan 8.240 nan 0.000 0.445 349 Q N 1.156 120.862 119.800 -0.157 0.000 2.340 349 Q HA 0.303 4.643 4.340 -0.000 0.000 0.249 349 Q C 1.324 177.268 176.000 -0.094 0.000 0.957 349 Q CA -0.042 55.697 55.803 -0.107 0.000 0.882 349 Q CB 1.211 29.886 28.738 -0.104 0.000 1.235 349 Q HN 0.154 nan 8.270 nan 0.000 0.439 350 S N 2.088 117.753 115.700 -0.058 0.000 2.362 350 S HA -0.026 4.444 4.470 -0.000 0.000 0.221 350 S C -0.817 173.763 174.600 -0.033 0.000 1.032 350 S CA 0.606 58.781 58.200 -0.042 0.000 0.973 350 S CB -0.591 62.593 63.200 -0.028 0.000 0.849 350 S HN 0.493 nan 8.310 nan 0.000 0.465 351 P HA 0.218 nan 4.420 nan 0.000 0.229 351 P C -0.431 176.865 177.300 -0.008 0.000 1.160 351 P CA 0.383 63.475 63.100 -0.013 0.000 0.777 351 P CB 0.055 31.751 31.700 -0.007 0.000 0.814 352 V N -0.609 119.289 119.914 -0.027 0.000 4.700 352 V HA -0.105 4.015 4.120 -0.000 0.000 0.388 352 V C -2.008 174.104 176.094 0.030 0.000 0.654 352 V CA -0.984 61.309 62.300 -0.012 0.000 1.587 352 V CB -2.276 29.561 31.823 0.025 0.000 1.932 352 V HN 0.298 nan 8.190 nan 0.000 0.480 353 P HA 0.079 nan 4.420 nan 0.000 0.264 353 P C 1.155 178.514 177.300 0.100 0.000 1.173 353 P CA 0.944 64.075 63.100 0.053 0.000 0.761 353 P CB 0.761 32.485 31.700 0.040 0.000 0.794 354 G N 0.853 109.701 108.800 0.080 0.000 3.088 354 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.212 354 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.212 354 G C 0.510 175.471 174.900 0.102 0.000 1.173 354 G CA 0.195 45.347 45.100 0.087 0.000 0.779 354 G HN 0.558 nan 8.290 nan 0.000 0.540 355 Q N -0.063 119.805 119.800 0.114 0.000 2.331 355 Q HA 0.477 4.817 4.340 -0.000 0.000 0.267 355 Q C -1.478 174.630 176.000 0.180 0.000 1.006 355 Q CA -1.120 54.756 55.803 0.123 0.000 0.818 355 Q CB 1.298 30.084 28.738 0.079 0.000 1.276 355 Q HN 0.213 nan 8.270 nan 0.000 0.450 356 Y N 2.974 123.316 120.300 0.070 0.000 2.377 356 Y HA 0.436 4.986 4.550 -0.000 0.000 0.330 356 Y C -0.896 175.051 175.900 0.078 0.000 1.108 356 Y CA 0.211 58.354 58.100 0.071 0.000 1.308 356 Y CB 0.946 39.403 38.460 -0.005 0.000 1.216 356 Y HN 0.669 nan 8.280 nan 0.000 0.518 357 D N 4.625 124.614 120.400 -0.685 0.000 2.365 357 D HA 0.292 4.932 4.640 -0.000 0.000 0.235 357 D C 0.368 176.357 176.300 -0.518 0.000 1.368 357 D CA 0.190 53.896 54.000 -0.490 0.000 1.001 357 D CB 1.122 41.841 40.800 -0.134 0.000 1.364 357 D HN 0.725 nan 8.370 nan 0.000 0.577 358 A N 2.482 124.914 122.820 -0.646 0.000 1.971 358 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 358 A C 2.013 179.577 177.584 -0.034 0.000 1.182 358 A CA 2.794 54.661 52.037 -0.284 0.000 0.649 358 A CB -0.994 17.944 19.000 -0.102 0.000 0.818 358 A HN 0.682 nan 8.150 nan 0.000 0.458 359 T N -2.293 112.239 114.554 -0.037 0.000 2.962 359 T HA -0.055 4.295 4.350 -0.000 0.000 0.270 359 T C 1.300 176.022 174.700 0.037 0.000 1.088 359 T CA 1.488 63.592 62.100 0.006 0.000 1.127 359 T CB -0.349 68.510 68.868 -0.015 0.000 0.883 359 T HN 0.586 nan 8.240 nan 0.000 0.493 360 K N 0.438 120.885 120.400 0.078 0.000 2.504 360 K HA 0.291 4.611 4.320 -0.000 0.000 0.199 360 K C -0.933 175.572 176.600 -0.158 0.000 1.028 360 K CA -0.134 56.144 56.287 -0.016 0.000 1.164 360 K CB 0.039 32.496 32.500 -0.072 0.000 0.877 360 K HN 0.364 nan 8.250 nan 0.000 0.508 361 F N 0.812 120.741 119.950 -0.035 0.000 2.561 361 F HA 0.347 4.874 4.527 -0.000 0.000 0.313 361 F C -0.108 175.699 175.800 0.012 0.000 1.126 361 F CA -1.071 56.936 58.000 0.012 0.000 0.918 361 F CB 1.645 40.665 39.000 0.033 0.000 1.199 361 F HN -0.361 nan 8.300 nan 0.000 0.444 362 K N 2.044 122.557 120.400 0.189 0.000 2.185 362 K HA 0.455 4.774 4.320 -0.000 0.000 0.269 362 K C -0.801 175.854 176.600 0.093 0.000 0.987 362 K CA -0.959 55.372 56.287 0.074 0.000 0.865 362 K CB 1.562 34.108 32.500 0.077 0.000 1.090 362 K HN 0.484 nan 8.250 nan 0.000 0.450 363 Q N 2.242 121.998 119.800 -0.072 0.000 2.290 363 Q HA 0.317 4.657 4.340 -0.000 0.000 0.259 363 Q C -1.589 174.296 176.000 -0.192 0.000 0.941 363 Q CA -0.172 55.623 55.803 -0.013 0.000 0.912 363 Q CB 0.778 29.519 28.738 0.005 0.000 1.244 363 Q HN 0.362 nan 8.270 nan 0.000 0.441 364 Y N -0.083 120.247 120.300 0.049 0.000 2.562 364 Y HA 0.687 5.237 4.550 -0.000 0.000 0.343 364 Y C -0.091 175.808 175.900 -0.001 0.000 1.025 364 Y CA -0.927 57.188 58.100 0.026 0.000 1.082 364 Y CB 2.474 40.946 38.460 0.020 0.000 1.264 364 Y HN 0.437 nan 8.280 nan 0.000 0.478 365 S N 2.129 117.900 115.700 0.119 0.000 2.647 365 S HA 0.697 5.167 4.470 -0.000 0.000 0.300 365 S C -1.288 173.275 174.600 -0.060 0.000 1.129 365 S CA -0.748 57.446 58.200 -0.010 0.000 1.029 365 S CB 0.321 63.455 63.200 -0.110 0.000 1.007 365 S HN 0.517 nan 8.310 nan 0.000 0.484 366 R N 2.674 123.155 120.500 -0.031 0.000 2.744 366 R HA 0.445 4.785 4.340 -0.000 0.000 0.279 366 R C -1.082 175.243 176.300 0.041 0.000 0.977 366 R CA -0.662 55.426 56.100 -0.019 0.000 0.906 366 R CB 1.443 31.743 30.300 -0.001 0.000 1.197 366 R HN 0.859 nan 8.270 nan 0.000 0.463 367 H N 0.850 119.873 119.070 -0.079 0.000 2.637 367 H HA 0.557 5.113 4.556 -0.000 0.000 0.363 367 H C -1.044 174.278 175.328 -0.011 0.000 1.131 367 H CA -0.804 55.216 56.048 -0.047 0.000 1.183 367 H CB 1.967 31.696 29.762 -0.055 0.000 1.637 367 H HN 0.181 nan 8.280 nan 0.000 0.531 368 V N 3.322 123.040 119.914 -0.327 0.000 2.881 368 V HA 0.267 4.387 4.120 -0.000 0.000 0.316 368 V C -0.455 175.363 176.094 -0.460 0.000 1.070 368 V CA -0.659 61.467 62.300 -0.288 0.000 0.976 368 V CB 1.797 33.559 31.823 -0.101 0.000 1.038 368 V HN 0.738 nan 8.190 nan 0.000 0.446 369 E N 1.759 121.850 120.200 -0.182 0.000 2.281 369 E HA 0.399 4.749 4.350 -0.000 0.000 0.266 369 E C -1.143 175.508 176.600 0.084 0.000 0.893 369 E CA -0.309 56.062 56.400 -0.049 0.000 0.798 369 E CB 1.615 31.398 29.700 0.138 0.000 1.245 369 E HN 0.742 nan 8.360 nan 0.000 0.410 370 E N 3.981 124.145 120.200 -0.060 0.000 2.185 370 E HA 0.366 4.716 4.350 -0.000 0.000 0.261 370 E C -1.208 175.270 176.600 -0.205 0.000 0.879 370 E CA -0.523 55.856 56.400 -0.035 0.000 0.756 370 E CB 0.723 30.384 29.700 -0.066 0.000 1.152 370 E HN 0.413 nan 8.360 nan 0.000 0.416 371 Y N 1.618 121.849 120.300 -0.115 0.000 2.659 371 Y HA 0.469 5.019 4.550 -0.000 0.000 0.333 371 Y C -0.219 175.524 175.900 -0.262 0.000 1.064 371 Y CA -0.785 57.175 58.100 -0.233 0.000 1.141 371 Y CB 1.831 40.078 38.460 -0.354 0.000 1.316 371 Y HN 0.429 nan 8.280 nan 0.000 0.509 372 D N 1.207 121.520 120.400 -0.145 0.000 2.484 372 D HA 0.212 4.852 4.640 -0.000 0.000 0.206 372 D C -2.058 174.060 176.300 -0.303 0.000 1.322 372 D CA -0.160 53.719 54.000 -0.202 0.000 0.913 372 D CB 0.809 41.525 40.800 -0.141 0.000 1.559 372 D HN 0.524 nan 8.370 nan 0.000 0.565 373 L N 2.444 123.433 121.223 -0.389 0.000 2.309 373 L HA 0.519 4.859 4.340 -0.000 0.000 0.282 373 L C 0.169 176.701 176.870 -0.563 0.000 1.036 373 L CA -0.589 53.925 54.840 -0.543 0.000 0.806 373 L CB 1.793 43.554 42.059 -0.497 0.000 1.220 373 L HN 0.275 nan 8.230 nan 0.000 0.429 374 Q N 2.819 122.091 119.800 -0.880 0.000 2.331 374 Q HA 0.658 4.998 4.340 -0.000 0.000 0.272 374 Q C -1.639 173.688 176.000 -1.122 0.000 1.062 374 Q CA -0.533 54.821 55.803 -0.748 0.000 0.806 374 Q CB 2.902 31.381 28.738 -0.431 0.000 1.312 374 Q HN 0.363 nan 8.270 nan 0.000 0.431 375 F N 0.934 120.457 119.950 -0.711 0.000 2.650 375 F HA 0.597 5.124 4.527 -0.000 0.000 0.320 375 F C -0.523 174.717 175.800 -0.933 0.000 1.091 375 F CA -1.084 56.419 58.000 -0.828 0.000 0.962 375 F CB 1.441 39.781 39.000 -1.100 0.000 1.363 375 F HN 0.271 nan 8.300 nan 0.000 0.482 376 I N 2.413 122.596 120.570 -0.645 0.000 2.476 376 I HA 0.312 4.482 4.170 -0.000 0.000 0.281 376 I C -1.100 174.686 176.117 -0.551 0.000 1.040 376 I CA -0.700 60.271 61.300 -0.549 0.000 1.094 376 I CB 0.899 38.583 38.000 -0.527 0.000 1.219 376 I HN 0.411 nan 8.210 nan 0.000 0.450 377 F N 3.981 123.802 119.950 -0.215 0.000 2.432 377 F HA 0.515 5.042 4.527 -0.000 0.000 0.329 377 F C 0.648 176.521 175.800 0.121 0.000 1.076 377 F CA -0.557 57.372 58.000 -0.119 0.000 1.018 377 F CB 1.525 40.288 39.000 -0.395 0.000 1.201 377 F HN 0.382 nan 8.300 nan 0.000 0.489 378 Q N 2.297 122.337 119.800 0.400 0.000 2.353 378 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 378 Q C -1.672 174.504 176.000 0.293 0.000 1.045 378 Q CA -1.173 54.737 55.803 0.180 0.000 0.811 378 Q CB 2.128 30.876 28.738 0.016 0.000 1.305 378 Q HN 0.691 nan 8.270 nan 0.000 0.447 379 L N 3.741 125.068 121.223 0.173 0.000 2.319 379 L HA 0.384 4.723 4.340 -0.000 0.000 0.280 379 L C -1.360 175.414 176.870 -0.160 0.000 1.099 379 L CA 0.276 55.090 54.840 -0.044 0.000 0.828 379 L CB 0.625 42.634 42.059 -0.084 0.000 1.150 379 L HN 0.805 nan 8.230 nan 0.000 0.442 380 C N 2.225 121.385 119.300 -0.234 0.000 2.779 380 C HA 0.857 5.317 4.460 -0.000 0.000 0.314 380 C C 0.142 174.989 174.990 -0.240 0.000 1.231 380 C CA -0.567 58.335 59.018 -0.194 0.000 1.652 380 C CB 1.890 29.539 27.740 -0.150 0.000 2.198 380 C HN 0.888 nan 8.230 nan 0.000 0.483 381 T N -0.774 113.683 114.554 -0.161 0.000 2.887 381 T HA 0.813 5.163 4.350 -0.000 0.000 0.288 381 T C -0.990 173.679 174.700 -0.051 0.000 1.021 381 T CA -0.451 61.561 62.100 -0.145 0.000 1.000 381 T CB 0.976 69.792 68.868 -0.087 0.000 1.034 381 T HN 0.460 nan 8.240 nan 0.000 0.467 382 I N 2.299 122.844 120.570 -0.041 0.000 2.466 382 I HA 0.236 4.406 4.170 -0.000 0.000 0.279 382 I C 0.122 176.264 176.117 0.041 0.000 1.033 382 I CA -0.570 60.773 61.300 0.072 0.000 1.123 382 I CB 1.804 39.921 38.000 0.195 0.000 1.237 382 I HN 0.722 nan 8.210 nan 0.000 0.460 383 T N 7.159 121.751 114.554 0.063 0.000 2.750 383 T HA 0.238 4.588 4.350 -0.000 0.000 0.286 383 T C 0.472 175.206 174.700 0.057 0.000 0.911 383 T CA -0.142 61.984 62.100 0.043 0.000 1.130 383 T CB -0.132 68.760 68.868 0.040 0.000 0.873 383 T HN 0.291 nan 8.240 nan 0.000 0.536 384 L N 5.349 126.595 121.223 0.039 0.000 2.536 384 L HA 0.192 4.532 4.340 -0.000 0.000 0.282 384 L C 1.432 178.327 176.870 0.042 0.000 1.147 384 L CA -0.372 54.504 54.840 0.060 0.000 0.936 384 L CB -0.564 41.530 42.059 0.059 0.000 1.279 384 L HN 0.735 nan 8.230 nan 0.000 0.461 385 T N -0.603 113.976 114.554 0.042 0.000 2.919 385 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 385 T C 1.143 175.859 174.700 0.026 0.000 1.020 385 T CA -0.105 62.012 62.100 0.027 0.000 0.994 385 T CB 1.828 70.709 68.868 0.022 0.000 1.180 385 T HN 0.383 nan 8.240 nan 0.000 0.566 386 A N 1.694 124.526 122.820 0.019 0.000 1.862 386 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 386 A C 1.906 179.501 177.584 0.018 0.000 1.228 386 A CA 2.614 54.661 52.037 0.017 0.000 0.665 386 A CB -1.833 17.175 19.000 0.012 0.000 0.845 386 A HN 1.047 nan 8.150 nan 0.000 0.459 387 D N -0.262 120.147 120.400 0.016 0.000 2.172 387 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 387 D C 1.530 177.842 176.300 0.020 0.000 0.999 387 D CA 1.570 55.582 54.000 0.020 0.000 0.856 387 D CB -1.061 39.747 40.800 0.014 0.000 0.934 387 D HN 0.192 nan 8.370 nan 0.000 0.453 388 V N 0.228 120.140 119.914 -0.003 0.000 2.282 388 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 388 V C 2.633 178.736 176.094 0.016 0.000 1.057 388 V CA 2.099 64.378 62.300 -0.035 0.000 1.032 388 V CB -0.548 31.276 31.823 0.001 0.000 0.645 388 V HN 0.240 nan 8.190 nan 0.000 0.447 389 M N 0.460 120.083 119.600 0.038 0.000 2.099 389 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 389 M C 2.471 178.774 176.300 0.006 0.000 1.067 389 M CA 2.148 57.471 55.300 0.039 0.000 1.124 389 M CB -0.419 32.209 32.600 0.046 0.000 1.353 389 M HN 0.581 nan 8.290 nan 0.000 0.410 390 S N -0.484 115.223 115.700 0.013 0.000 2.400 390 S HA -0.217 4.253 4.470 -0.000 0.000 0.232 390 S C 1.764 176.356 174.600 -0.013 0.000 1.025 390 S CA 1.141 59.339 58.200 -0.004 0.000 0.993 390 S CB -0.996 62.209 63.200 0.008 0.000 0.808 390 S HN 0.574 nan 8.310 nan 0.000 0.478 391 Y N 2.497 122.729 120.300 -0.114 0.000 2.109 391 Y HA 0.023 4.573 4.550 -0.000 0.000 0.285 391 Y C 2.073 177.860 175.900 -0.189 0.000 1.131 391 Y CA 1.452 59.466 58.100 -0.143 0.000 1.121 391 Y CB -0.418 37.908 38.460 -0.223 0.000 0.987 391 Y HN 0.180 nan 8.280 nan 0.000 0.495 392 I N 0.283 120.808 120.570 -0.074 0.000 2.335 392 I HA -0.312 3.858 4.170 -0.000 0.000 0.251 392 I C 2.361 178.294 176.117 -0.307 0.000 1.129 392 I CA 1.548 62.696 61.300 -0.253 0.000 1.402 392 I CB -0.534 37.353 38.000 -0.188 0.000 1.069 392 I HN 0.331 nan 8.210 nan 0.000 0.424 393 Q N 1.297 120.977 119.800 -0.200 0.000 2.030 393 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 393 Q C 2.307 178.184 176.000 -0.205 0.000 0.986 393 Q CA 2.605 58.303 55.803 -0.174 0.000 0.843 393 Q CB -0.215 28.460 28.738 -0.105 0.000 0.904 393 Q HN 0.400 nan 8.270 nan 0.000 0.420 394 S N -0.247 115.322 115.700 -0.219 0.000 2.383 394 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 394 S C 1.790 176.244 174.600 -0.243 0.000 1.026 394 S CA 1.313 59.396 58.200 -0.195 0.000 0.981 394 S CB -0.340 62.754 63.200 -0.177 0.000 0.818 394 S HN 0.512 nan 8.310 nan 0.000 0.472 395 M N 1.110 120.435 119.600 -0.459 0.000 2.077 395 M HA -0.020 4.460 4.480 -0.000 0.000 0.261 395 M C 0.375 176.308 176.300 -0.612 0.000 1.070 395 M CA 1.486 56.310 55.300 -0.794 0.000 1.125 395 M CB 0.130 32.109 32.600 -1.035 0.000 1.339 395 M HN 0.256 nan 8.290 nan 0.000 0.409 396 N N -0.286 118.125 118.700 -0.482 0.000 3.151 396 N HA 0.033 4.773 4.740 -0.000 0.000 0.219 396 N C 0.405 175.734 175.510 -0.300 0.000 1.434 396 N CA 0.320 53.161 53.050 -0.349 0.000 0.767 396 N CB 0.747 39.023 38.487 -0.353 0.000 1.564 396 N HN 0.296 nan 8.380 nan 0.000 0.612 397 S N 0.782 116.347 115.700 -0.226 0.000 2.389 397 S HA -0.298 4.172 4.470 -0.000 0.000 0.231 397 S C 1.948 176.427 174.600 -0.201 0.000 1.052 397 S CA 2.046 60.130 58.200 -0.194 0.000 1.053 397 S CB -0.642 62.477 63.200 -0.135 0.000 0.886 397 S HN 0.645 nan 8.310 nan 0.000 0.456 398 S N 2.423 118.031 115.700 -0.154 0.000 2.440 398 S HA -0.030 4.440 4.470 -0.000 0.000 0.238 398 S C 1.803 176.240 174.600 -0.272 0.000 1.010 398 S CA 1.221 59.358 58.200 -0.105 0.000 0.972 398 S CB -0.962 62.267 63.200 0.048 0.000 0.774 398 S HN 0.629 nan 8.310 nan 0.000 0.501 399 I N 1.392 121.688 120.570 -0.458 0.000 2.179 399 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 399 I C 2.465 177.994 176.117 -0.981 0.000 1.088 399 I CA 1.302 62.074 61.300 -0.880 0.000 1.357 399 I CB -0.714 36.726 38.000 -0.934 0.000 1.051 399 I HN 0.320 nan 8.210 nan 0.000 0.409 400 L N 0.455 121.303 121.223 -0.625 0.000 2.131 400 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 400 L C 2.538 179.303 176.870 -0.175 0.000 1.092 400 L CA 1.236 55.874 54.840 -0.336 0.000 0.759 400 L CB -0.487 41.480 42.059 -0.153 0.000 0.903 400 L HN 0.279 nan 8.230 nan 0.000 0.435 401 E N 0.164 120.249 120.200 -0.192 0.000 2.023 401 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 401 E C 1.761 178.319 176.600 -0.069 0.000 1.003 401 E CA 1.618 57.959 56.400 -0.098 0.000 0.809 401 E CB -0.013 29.634 29.700 -0.089 0.000 0.755 401 E HN 0.442 nan 8.360 nan 0.000 0.449 402 D N -0.234 120.077 120.400 -0.148 0.000 2.158 402 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 402 D C 1.425 177.783 176.300 0.096 0.000 0.995 402 D CA 0.812 54.770 54.000 -0.071 0.000 0.846 402 D CB -0.290 40.406 40.800 -0.173 0.000 0.941 402 D HN 0.368 nan 8.370 nan 0.000 0.456 403 W N 1.240 122.512 121.300 -0.048 0.000 2.699 403 W HA 0.080 4.740 4.660 -0.000 0.000 0.249 403 W C 0.660 177.169 176.519 -0.017 0.000 1.280 403 W CA -0.088 57.240 57.345 -0.028 0.000 1.345 403 W CB -1.044 28.403 29.460 -0.022 0.000 1.128 403 W HN -0.060 nan 8.180 nan 0.000 0.642 439 K N 0.567 120.962 120.400 -0.008 0.000 2.207 439 K HA 0.445 4.765 4.320 -0.000 0.000 0.255 439 K C -1.265 175.313 176.600 -0.035 0.000 0.941 439 K CA -0.557 55.719 56.287 -0.017 0.000 0.825 439 K CB 1.267 33.751 32.500 -0.028 0.000 1.119 439 K HN 0.577 nan 8.250 nan 0.000 0.430 440 D N 2.550 122.930 120.400 -0.033 0.000 2.217 440 D HA 0.289 4.929 4.640 -0.000 0.000 0.243 440 D C -1.614 174.599 176.300 -0.146 0.000 1.054 440 D CA -2.127 51.829 54.000 -0.074 0.000 0.838 440 D CB 1.266 42.080 40.800 0.023 0.000 1.162 440 D HN 0.216 nan 8.370 nan 0.000 0.472 441 P HA -0.118 nan 4.420 nan 0.000 0.236 441 P C 0.011 177.095 177.300 -0.360 0.000 1.172 441 P CA 0.981 63.822 63.100 -0.432 0.000 0.759 441 P CB -0.092 31.223 31.700 -0.642 0.000 0.843 442 Y N -1.139 119.206 120.300 0.075 0.000 2.500 442 Y HA 0.178 4.728 4.550 -0.000 0.000 0.246 442 Y C 1.574 177.540 175.900 0.110 0.000 1.146 442 Y CA -0.612 57.579 58.100 0.151 0.000 1.230 442 Y CB -0.080 38.600 38.460 0.368 0.000 1.214 442 Y HN -0.145 nan 8.280 nan 0.000 0.526 443 D N 0.783 121.283 120.400 0.166 0.000 2.403 443 D HA -0.104 4.536 4.640 -0.000 0.000 0.227 443 D C 1.590 177.913 176.300 0.038 0.000 0.995 443 D CA 0.903 54.964 54.000 0.101 0.000 0.928 443 D CB 0.156 40.992 40.800 0.060 0.000 0.887 443 D HN 0.262 nan 8.370 nan 0.000 0.529 444 K N -0.287 120.127 120.400 0.024 0.000 2.284 444 K HA 0.140 4.460 4.320 -0.000 0.000 0.198 444 K C 0.901 177.451 176.600 -0.084 0.000 1.048 444 K CA 0.086 56.360 56.287 -0.022 0.000 0.987 444 K CB 0.625 33.116 32.500 -0.014 0.000 0.800 444 K HN 0.198 nan 8.250 nan 0.000 0.486 445 L N 1.821 122.957 121.223 -0.145 0.000 2.379 445 L HA 0.226 4.566 4.340 -0.000 0.000 0.269 445 L C 0.393 176.903 176.870 -0.600 0.000 1.084 445 L CA -0.767 53.841 54.840 -0.386 0.000 0.802 445 L CB 0.538 42.288 42.059 -0.516 0.000 1.175 445 L HN -0.280 nan 8.230 nan 0.000 0.448 446 K N 2.565 122.618 120.400 -0.579 0.000 2.276 446 K HA 0.528 4.848 4.320 -0.000 0.000 0.285 446 K C -0.919 175.376 176.600 -0.509 0.000 1.062 446 K CA 0.191 56.231 56.287 -0.412 0.000 0.918 446 K CB 0.854 33.232 32.500 -0.204 0.000 1.055 446 K HN 0.348 nan 8.250 nan 0.000 0.477 447 F N 0.226 120.196 119.950 0.034 0.000 2.675 447 F HA 0.331 4.858 4.527 -0.000 0.000 0.324 447 F C -0.208 175.651 175.800 0.098 0.000 1.106 447 F CA -1.234 56.799 58.000 0.054 0.000 0.970 447 F CB 1.620 40.658 39.000 0.063 0.000 1.385 447 F HN 0.385 nan 8.300 nan 0.000 0.489 448 W N 4.155 125.530 121.300 0.126 0.000 2.309 448 W HA 0.325 4.985 4.660 -0.000 0.000 0.332 448 W C -0.942 175.649 176.519 0.120 0.000 0.962 448 W CA -1.228 56.155 57.345 0.063 0.000 1.497 448 W CB 0.142 29.565 29.460 -0.061 0.000 1.308 448 W HN 0.389 nan 8.180 nan 0.000 0.384 449 N N 3.833 122.803 118.700 0.450 0.000 2.447 449 N HA 0.059 4.799 4.740 -0.000 0.000 0.263 449 N C -0.774 174.923 175.510 0.311 0.000 1.226 449 N CA 0.312 53.534 53.050 0.286 0.000 0.906 449 N CB 1.764 40.361 38.487 0.184 0.000 1.060 449 N HN 0.059 nan 8.380 nan 0.000 0.468 450 V N 2.412 122.423 119.914 0.161 0.000 2.349 450 V HA 0.091 4.211 4.120 -0.000 0.000 0.284 450 V C 0.054 176.171 176.094 0.039 0.000 1.014 450 V CA -0.894 61.464 62.300 0.098 0.000 0.826 450 V CB 1.637 33.461 31.823 0.003 0.000 1.009 450 V HN 0.541 nan 8.190 nan 0.000 0.431 451 D N 4.768 125.202 120.400 0.056 0.000 2.295 451 D HA 0.335 4.975 4.640 -0.000 0.000 0.248 451 D C 0.307 176.628 176.300 0.034 0.000 1.154 451 D CA -0.139 53.879 54.000 0.029 0.000 0.857 451 D CB 1.739 42.564 40.800 0.041 0.000 1.117 451 D HN 0.479 nan 8.370 nan 0.000 0.468 452 L N 3.726 124.960 121.223 0.020 0.000 2.959 452 L HA 0.164 4.504 4.340 -0.000 0.000 0.259 452 L C 1.966 178.886 176.870 0.084 0.000 1.185 452 L CA -0.254 54.635 54.840 0.082 0.000 0.998 452 L CB 0.328 42.460 42.059 0.121 0.000 1.337 452 L HN 0.197 nan 8.230 nan 0.000 0.555 453 K N 0.713 121.097 120.400 -0.027 0.000 2.211 453 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 453 K C 0.775 177.366 176.600 -0.017 0.000 1.047 453 K CA 0.992 57.208 56.287 -0.118 0.000 0.935 453 K CB 0.173 32.622 32.500 -0.084 0.000 0.728 453 K HN 0.239 nan 8.250 nan 0.000 0.452 454 E N 0.188 120.433 120.200 0.074 0.000 2.496 454 E HA 0.063 4.413 4.350 -0.000 0.000 0.200 454 E C 0.329 177.034 176.600 0.175 0.000 1.016 454 E CA 0.142 56.619 56.400 0.127 0.000 0.962 454 E CB 0.742 30.505 29.700 0.104 0.000 1.071 454 E HN 0.175 nan 8.360 nan 0.000 0.457 455 K N -0.008 120.528 120.400 0.227 0.000 2.438 455 K HA 0.194 4.514 4.320 -0.000 0.000 0.206 455 K C 0.205 176.959 176.600 0.257 0.000 1.081 455 K CA -0.300 56.117 56.287 0.216 0.000 1.053 455 K CB 0.650 33.236 32.500 0.144 0.000 0.908 455 K HN -0.049 nan 8.250 nan 0.000 0.556 456 F N 1.906 121.888 119.950 0.053 0.000 2.471 456 F HA 0.153 4.680 4.527 -0.000 0.000 0.353 456 F C 0.987 176.960 175.800 0.290 0.000 1.113 456 F CA 0.041 58.121 58.000 0.134 0.000 1.262 456 F CB 0.972 39.987 39.000 0.025 0.000 1.146 456 F HN -0.232 nan 8.300 nan 0.000 0.578 457 S N 3.103 119.018 115.700 0.357 0.000 2.546 457 S HA 0.522 4.992 4.470 -0.000 0.000 0.274 457 S C 0.311 174.933 174.600 0.038 0.000 1.121 457 S CA -0.705 57.632 58.200 0.228 0.000 0.887 457 S CB 1.099 64.384 63.200 0.142 0.000 1.094 457 S HN 0.656 nan 8.310 nan 0.000 0.474 458 L N 1.445 122.616 121.223 -0.088 0.000 2.307 458 L HA 0.181 4.521 4.340 -0.000 0.000 0.211 458 L C -0.111 176.712 176.870 -0.078 0.000 1.099 458 L CA 0.513 55.177 54.840 -0.293 0.000 0.816 458 L CB -0.050 41.841 42.059 -0.280 0.000 0.952 458 L HN 0.682 nan 8.230 nan 0.000 0.455 459 D N 0.203 120.623 120.400 0.032 0.000 2.411 459 D HA 0.118 4.758 4.640 -0.000 0.000 0.225 459 D C 1.095 177.479 176.300 0.139 0.000 1.156 459 D CA -0.193 53.850 54.000 0.073 0.000 0.874 459 D CB 0.632 41.471 40.800 0.064 0.000 1.034 459 D HN 0.050 nan 8.370 nan 0.000 0.502 460 L N 0.675 121.973 121.223 0.125 0.000 2.093 460 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 460 L C 1.898 178.862 176.870 0.157 0.000 1.085 460 L CA 0.906 55.844 54.840 0.163 0.000 0.755 460 L CB -0.407 41.758 42.059 0.177 0.000 0.904 460 L HN 0.345 nan 8.230 nan 0.000 0.435 461 D N 0.301 120.759 120.400 0.096 0.000 2.191 461 D HA -0.231 4.409 4.640 -0.000 0.000 0.195 461 D C 2.174 178.474 176.300 -0.001 0.000 1.003 461 D CA 1.317 55.343 54.000 0.044 0.000 0.867 461 D CB 0.053 40.865 40.800 0.019 0.000 0.926 461 D HN 0.264 nan 8.370 nan 0.000 0.450 462 Q N -1.065 118.717 119.800 -0.030 0.000 2.437 462 Q HA -0.076 4.264 4.340 -0.000 0.000 0.210 462 Q C -0.077 175.621 176.000 -0.504 0.000 0.972 462 Q CA 0.632 56.278 55.803 -0.260 0.000 0.903 462 Q CB 0.035 28.554 28.738 -0.366 0.000 0.967 462 Q HN 0.466 nan 8.270 nan 0.000 0.486 463 Y N -0.337 119.855 120.300 -0.179 0.000 2.524 463 Y HA 0.216 4.766 4.550 -0.000 0.000 0.344 463 Y C -1.466 174.386 175.900 -0.080 0.000 1.012 463 Y CA -2.659 55.302 58.100 -0.233 0.000 1.068 463 Y CB 1.056 39.096 38.460 -0.701 0.000 1.249 463 Y HN -0.181 nan 8.280 nan 0.000 0.468 464 P HA -0.259 nan 4.420 nan 0.000 0.213 464 P C 1.725 179.107 177.300 0.136 0.000 1.176 464 P CA 1.722 64.875 63.100 0.089 0.000 0.919 464 P CB 0.552 32.290 31.700 0.064 0.000 0.791 465 L N -0.646 120.684 121.223 0.179 0.000 2.042 465 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 465 L C 2.712 179.760 176.870 0.296 0.000 1.076 465 L CA 2.071 57.026 54.840 0.192 0.000 0.749 465 L CB -1.335 40.779 42.059 0.091 0.000 0.893 465 L HN 0.057 nan 8.230 nan 0.000 0.432 466 G N -0.266 108.723 108.800 0.313 0.000 2.491 466 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 466 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 466 G C 1.554 176.595 174.900 0.235 0.000 1.180 466 G CA 0.988 46.255 45.100 0.278 0.000 0.774 466 G HN 0.351 nan 8.290 nan 0.000 0.562 467 R N 0.440 121.034 120.500 0.157 0.000 2.082 467 R HA -0.019 4.321 4.340 -0.000 0.000 0.234 467 R C 2.685 179.041 176.300 0.093 0.000 1.136 467 R CA 1.591 57.746 56.100 0.092 0.000 0.935 467 R CB -0.379 29.953 30.300 0.053 0.000 0.842 467 R HN 0.275 nan 8.270 nan 0.000 0.430 468 K N -0.124 120.367 120.400 0.151 0.000 2.127 468 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 468 K C 1.933 178.625 176.600 0.154 0.000 1.047 468 K CA 1.715 58.118 56.287 0.193 0.000 0.927 468 K CB -0.331 32.353 32.500 0.307 0.000 0.716 468 K HN 0.098 nan 8.250 nan 0.000 0.450 469 F N 1.687 121.668 119.950 0.052 0.000 2.075 469 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 469 F C 1.806 177.388 175.800 -0.364 0.000 1.113 469 F CA 1.324 59.144 58.000 -0.302 0.000 1.218 469 F CB -0.414 38.505 39.000 -0.135 0.000 0.984 469 F HN -0.125 nan 8.300 nan 0.000 0.472 470 L N -0.491 120.556 121.223 -0.293 0.000 2.081 470 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 470 L C 2.345 178.996 176.870 -0.365 0.000 1.080 470 L CA 1.218 55.846 54.840 -0.353 0.000 0.754 470 L CB -0.990 41.006 42.059 -0.105 0.000 0.893 470 L HN 0.082 nan 8.230 nan 0.000 0.433 471 V N -0.458 119.301 119.914 -0.259 0.000 2.223 471 V HA -0.336 3.784 4.120 -0.000 0.000 0.244 471 V C 2.511 178.424 176.094 -0.301 0.000 1.045 471 V CA 2.129 64.303 62.300 -0.209 0.000 1.000 471 V CB -0.765 30.991 31.823 -0.112 0.000 0.635 471 V HN 0.572 nan 8.190 nan 0.000 0.445 472 Q N 0.486 120.049 119.800 -0.395 0.000 2.173 472 Q HA -0.291 4.049 4.340 -0.000 0.000 0.208 472 Q C 2.093 177.769 176.000 -0.540 0.000 0.989 472 Q CA 2.661 58.169 55.803 -0.491 0.000 0.872 472 Q CB -0.351 27.900 28.738 -0.812 0.000 0.909 472 Q HN 0.628 nan 8.270 nan 0.000 0.420 473 A N -0.082 122.320 122.820 -0.697 0.000 2.014 473 A HA 0.289 4.609 4.320 -0.000 0.000 0.218 473 A C 1.132 178.505 177.584 -0.352 0.000 1.163 473 A CA 1.559 53.242 52.037 -0.589 0.000 0.652 473 A CB -0.516 18.008 19.000 -0.794 0.000 0.808 473 A HN 0.728 nan 8.150 nan 0.000 0.449 474 G N 0.000 108.615 108.800 -0.309 0.000 5.446 474 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 474 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 474 G CA 0.000 44.982 45.100 -0.197 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925