REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2r5i_1_H DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.617 177.584 0.055 0.000 1.274 20 A CA 0.000 52.052 52.037 0.024 0.000 0.836 20 A CB 0.000 19.011 19.000 0.019 0.000 0.831 21 V N 2.298 122.188 119.914 -0.040 0.000 2.775 21 V HA 0.481 4.601 4.120 0.001 0.000 0.299 21 V C 0.366 176.336 176.094 -0.206 0.000 1.062 21 V CA -0.028 62.248 62.300 -0.040 0.000 1.063 21 V CB 1.413 33.058 31.823 -0.296 0.000 0.994 21 V HN 0.794 nan 8.190 nan 0.000 0.483 22 V N 3.255 123.178 119.914 0.015 0.000 2.914 22 V HA 0.395 4.516 4.120 0.001 0.000 0.314 22 V C 0.209 176.354 176.094 0.085 0.000 1.084 22 V CA -1.224 61.006 62.300 -0.117 0.000 0.963 22 V CB 1.966 33.724 31.823 -0.110 0.000 1.025 22 V HN 0.836 nan 8.190 nan 0.000 0.432 23 N N 1.836 120.602 118.700 0.110 0.000 2.356 23 N HA -0.053 4.688 4.740 0.001 0.000 0.252 23 N C 1.433 177.052 175.510 0.181 0.000 1.241 23 N CA 0.891 54.083 53.050 0.235 0.000 0.861 23 N CB 1.476 40.073 38.487 0.183 0.000 1.075 23 N HN 1.033 nan 8.380 nan 0.000 0.461 24 T N -0.849 113.776 114.554 0.118 0.000 2.962 24 T HA -0.092 4.258 4.350 0.001 0.000 0.270 24 T C 0.868 175.385 174.700 -0.305 0.000 1.088 24 T CA 0.884 62.837 62.100 -0.245 0.000 1.127 24 T CB 0.085 68.867 68.868 -0.144 0.000 0.883 24 T HN 0.419 nan 8.240 nan 0.000 0.493 25 D N 1.629 121.981 120.400 -0.080 0.000 2.351 25 D HA -0.064 4.577 4.640 0.001 0.000 0.216 25 D C 1.208 177.490 176.300 -0.031 0.000 0.968 25 D CA 0.795 54.765 54.000 -0.050 0.000 0.899 25 D CB -0.123 40.682 40.800 0.009 0.000 0.907 25 D HN 0.469 nan 8.370 nan 0.000 0.514 26 D N -0.583 119.814 120.400 -0.004 0.000 2.271 26 D HA -0.055 4.586 4.640 0.001 0.000 0.206 26 D C 1.406 177.787 176.300 0.135 0.000 0.967 26 D CA 0.561 54.606 54.000 0.076 0.000 0.867 26 D CB 0.100 40.970 40.800 0.116 0.000 0.960 26 D HN 0.510 nan 8.370 nan 0.000 0.509 27 Y N -1.944 118.378 120.300 0.037 0.000 2.527 27 Y HA 0.495 5.045 4.550 0.001 0.000 0.247 27 Y C -0.120 175.843 175.900 0.104 0.000 1.138 27 Y CA -0.532 57.601 58.100 0.056 0.000 1.228 27 Y CB 0.358 38.842 38.460 0.040 0.000 1.252 27 Y HN -0.360 nan 8.280 nan 0.000 0.531 28 V N 2.257 122.064 119.914 -0.180 0.000 2.350 28 V HA 0.329 4.449 4.120 0.001 0.000 0.285 28 V C -0.258 175.798 176.094 -0.063 0.000 1.014 28 V CA -0.587 61.647 62.300 -0.111 0.000 0.831 28 V CB 1.333 33.019 31.823 -0.228 0.000 1.000 28 V HN 0.341 nan 8.190 nan 0.000 0.433 29 T N 5.539 120.079 114.554 -0.024 0.000 2.845 29 T HA 0.468 4.818 4.350 0.001 0.000 0.288 29 T C 0.171 174.850 174.700 -0.036 0.000 0.980 29 T CA -0.555 61.534 62.100 -0.019 0.000 1.071 29 T CB 0.808 69.674 68.868 -0.004 0.000 0.941 29 T HN 0.501 nan 8.240 nan 0.000 0.487 30 R N 1.684 122.169 120.500 -0.026 0.000 2.410 30 R HA 0.483 4.824 4.340 0.001 0.000 0.288 30 R C 1.099 177.370 176.300 -0.048 0.000 1.051 30 R CA -0.548 55.530 56.100 -0.036 0.000 1.021 30 R CB 0.811 31.110 30.300 -0.002 0.000 1.032 30 R HN 0.816 nan 8.270 nan 0.000 0.481 31 T N -2.092 112.406 114.554 -0.093 0.000 2.888 31 T HA 0.173 4.523 4.350 0.001 0.000 0.283 31 T C 0.971 175.573 174.700 -0.163 0.000 1.013 31 T CA -0.555 61.488 62.100 -0.096 0.000 0.938 31 T CB 1.237 70.045 68.868 -0.101 0.000 1.298 31 T HN 0.520 nan 8.240 nan 0.000 0.580 32 S N -0.537 115.085 115.700 -0.129 0.000 2.602 32 S HA 0.310 4.781 4.470 0.001 0.000 0.240 32 S C 0.278 174.767 174.600 -0.185 0.000 0.992 32 S CA -0.748 57.386 58.200 -0.111 0.000 0.971 32 S CB -0.376 62.852 63.200 0.048 0.000 0.855 32 S HN 0.593 nan 8.310 nan 0.000 0.481 33 I N 2.807 123.220 120.570 -0.261 0.000 2.337 33 I HA 0.429 4.599 4.170 0.001 0.000 0.291 33 I C -0.668 175.287 176.117 -0.269 0.000 1.046 33 I CA -0.877 60.345 61.300 -0.130 0.000 1.324 33 I CB -0.917 37.120 38.000 0.062 0.000 1.409 33 I HN 0.147 nan 8.210 nan 0.000 0.494 34 F N 6.140 126.157 119.950 0.111 0.000 2.508 34 F HA 0.559 5.087 4.527 0.001 0.000 0.325 34 F C -0.191 175.616 175.800 0.011 0.000 1.090 34 F CA -0.655 57.408 58.000 0.105 0.000 0.945 34 F CB 1.569 40.536 39.000 -0.055 0.000 1.156 34 F HN 0.222 nan 8.300 nan 0.000 0.463 35 Y N 0.721 121.157 120.300 0.228 0.000 2.562 35 Y HA 0.422 4.972 4.550 0.001 0.000 0.343 35 Y C -0.212 175.610 175.900 -0.131 0.000 1.025 35 Y CA -0.963 57.193 58.100 0.093 0.000 1.082 35 Y CB 1.506 40.033 38.460 0.112 0.000 1.264 35 Y HN 0.518 nan 8.280 nan 0.000 0.478 36 H N 1.118 120.112 119.070 -0.127 0.000 2.569 36 H HA 0.890 5.447 4.556 0.001 0.000 0.357 36 H C -1.841 173.193 175.328 -0.490 0.000 1.153 36 H CA -0.910 54.938 56.048 -0.334 0.000 1.193 36 H CB 1.754 31.322 29.762 -0.323 0.000 1.602 36 H HN 0.822 nan 8.280 nan 0.000 0.523 37 A N 2.204 124.557 122.820 -0.778 0.000 2.547 37 A HA 0.686 5.007 4.320 0.001 0.000 0.297 37 A C -0.961 176.421 177.584 -0.337 0.000 1.056 37 A CA -0.067 51.713 52.037 -0.428 0.000 0.688 37 A CB 1.704 20.309 19.000 -0.658 0.000 1.282 37 A HN 1.020 nan 8.150 nan 0.000 0.400 38 G N 0.166 108.937 108.800 -0.047 0.000 2.703 38 G HA2 0.657 4.617 3.960 0.001 0.000 0.294 38 G HA3 0.657 4.617 3.960 0.001 0.000 0.294 38 G C -0.231 174.691 174.900 0.036 0.000 1.451 38 G CA 0.242 45.339 45.100 -0.005 0.000 0.869 38 G HN 1.842 nan 8.290 nan 0.000 0.516 39 S N 0.200 115.907 115.700 0.011 0.000 2.576 39 S HA 0.398 4.869 4.470 0.001 0.000 0.272 39 S C 1.691 176.297 174.600 0.010 0.000 1.352 39 S CA 0.742 58.942 58.200 0.000 0.000 1.021 39 S CB 1.140 64.292 63.200 -0.080 0.000 0.887 39 S HN 1.718 nan 8.310 nan 0.000 0.542 40 S N 2.219 117.941 115.700 0.036 0.000 2.407 40 S HA 0.053 4.523 4.470 0.001 0.000 0.192 40 S C 0.712 175.327 174.600 0.024 0.000 1.169 40 S CA 0.276 58.505 58.200 0.047 0.000 1.496 40 S CB -0.499 62.740 63.200 0.066 0.000 0.918 40 S HN 1.027 nan 8.310 nan 0.000 0.388 41 R N 0.387 120.912 120.500 0.041 0.000 2.569 41 R HA 0.452 4.792 4.340 0.001 0.000 0.293 41 R C -1.666 174.684 176.300 0.084 0.000 1.186 41 R CA -0.478 55.641 56.100 0.032 0.000 0.956 41 R CB 0.569 30.891 30.300 0.036 0.000 1.196 41 R HN 0.505 nan 8.270 nan 0.000 0.444 42 L N 4.472 125.738 121.223 0.072 0.000 2.397 42 L HA 0.431 4.772 4.340 0.001 0.000 0.271 42 L C -0.337 176.721 176.870 0.314 0.000 1.148 42 L CA -0.561 54.409 54.840 0.217 0.000 0.825 42 L CB 0.791 42.835 42.059 -0.025 0.000 1.117 42 L HN 0.500 nan 8.230 nan 0.000 0.456 43 L N 2.194 123.672 121.223 0.425 0.000 2.469 43 L HA 0.772 5.112 4.340 0.001 0.000 0.256 43 L C -0.664 176.393 176.870 0.310 0.000 1.006 43 L CA 0.018 55.053 54.840 0.325 0.000 0.832 43 L CB 2.617 44.779 42.059 0.171 0.000 1.421 43 L HN 0.634 nan 8.230 nan 0.000 0.410 44 T N 2.179 116.859 114.554 0.211 0.000 3.393 44 T HA 0.654 5.005 4.350 0.001 0.000 0.359 44 T C -1.730 172.986 174.700 0.027 0.000 1.380 44 T CA 0.098 62.250 62.100 0.088 0.000 1.132 44 T CB 0.757 69.648 68.868 0.038 0.000 1.284 44 T HN 1.184 nan 8.240 nan 0.000 0.477 45 V N 1.589 121.496 119.914 -0.013 0.000 3.040 45 V HA 1.128 5.249 4.120 0.001 0.000 0.312 45 V C 0.147 176.225 176.094 -0.026 0.000 1.115 45 V CA 0.078 62.359 62.300 -0.032 0.000 0.998 45 V CB 1.402 33.204 31.823 -0.034 0.000 1.042 45 V HN 1.522 nan 8.190 nan 0.000 0.433 46 G N 0.721 109.510 108.800 -0.019 0.000 2.342 46 G HA2 0.356 4.317 3.960 0.001 0.000 0.297 46 G HA3 0.356 4.317 3.960 0.001 0.000 0.297 46 G C -2.036 172.845 174.900 -0.031 0.000 1.313 46 G CA -0.244 44.846 45.100 -0.017 0.000 0.830 46 G HN 0.998 nan 8.290 nan 0.000 0.506 47 D N 0.252 120.612 120.400 -0.066 0.000 2.304 47 D HA 0.339 4.979 4.640 0.001 0.000 0.250 47 D C -1.275 174.919 176.300 -0.178 0.000 1.107 47 D CA -1.734 52.156 54.000 -0.183 0.000 0.885 47 D CB 2.420 43.061 40.800 -0.265 0.000 1.192 47 D HN 0.036 nan 8.370 nan 0.000 0.436 48 P HA -0.040 nan 4.420 nan 0.000 0.231 48 P C 0.718 178.033 177.300 0.025 0.000 1.168 48 P CA 0.865 63.873 63.100 -0.154 0.000 0.779 48 P CB 0.204 31.724 31.700 -0.301 0.000 0.844 49 Y N -0.556 119.624 120.300 -0.199 0.000 2.559 49 Y HA 0.245 4.796 4.550 0.001 0.000 0.279 49 Y C 0.989 176.881 175.900 -0.015 0.000 1.117 49 Y CA -0.757 57.258 58.100 -0.142 0.000 1.263 49 Y CB 0.327 38.652 38.460 -0.225 0.000 1.230 49 Y HN -0.169 nan 8.280 nan 0.000 0.528 50 F N -0.485 119.566 119.950 0.168 0.000 2.678 50 F HA 0.469 4.997 4.527 0.001 0.000 0.308 50 F C -0.814 175.026 175.800 0.067 0.000 1.118 50 F CA -2.296 55.766 58.000 0.104 0.000 0.959 50 F CB 0.765 39.820 39.000 0.091 0.000 1.305 50 F HN -0.194 nan 8.300 nan 0.000 0.443 51 R N 1.683 122.384 120.500 0.335 0.000 2.438 51 R HA 0.657 4.997 4.340 0.001 0.000 0.287 51 R C -1.712 174.739 176.300 0.251 0.000 1.077 51 R CA -0.508 55.715 56.100 0.205 0.000 1.034 51 R CB 1.267 31.638 30.300 0.118 0.000 0.993 51 R HN 0.623 nan 8.270 nan 0.000 0.459 52 V N 6.164 126.191 119.914 0.189 0.000 2.304 52 V HA 0.241 4.362 4.120 0.001 0.000 0.269 52 V C -1.979 174.183 176.094 0.114 0.000 1.036 52 V CA -2.242 60.176 62.300 0.197 0.000 0.840 52 V CB 1.077 33.009 31.823 0.182 0.000 1.036 52 V HN 0.828 nan 8.190 nan 0.000 0.466 53 P HA -0.024 nan 4.420 nan 0.000 0.253 53 P C 0.468 177.797 177.300 0.049 0.000 1.159 53 P CA 0.632 63.766 63.100 0.057 0.000 0.779 53 P CB 0.185 31.910 31.700 0.042 0.000 0.745 54 A N 4.785 127.628 122.820 0.038 0.000 2.639 54 A HA 0.245 4.565 4.320 0.001 0.000 0.229 54 A C 1.732 179.332 177.584 0.027 0.000 1.062 54 A CA 0.663 52.718 52.037 0.029 0.000 0.761 54 A CB -0.895 18.116 19.000 0.019 0.000 0.988 54 A HN 0.876 nan 8.150 nan 0.000 0.510 55 G N 0.760 109.574 108.800 0.023 0.000 2.439 55 G HA2 -0.089 3.871 3.960 0.001 0.000 0.305 55 G HA3 -0.089 3.871 3.960 0.001 0.000 0.305 55 G C 1.087 176.001 174.900 0.023 0.000 0.966 55 G CA 1.400 46.512 45.100 0.019 0.000 0.890 55 G HN 1.807 nan 8.290 nan 0.000 0.513 56 G N 0.005 108.825 108.800 0.033 0.000 2.624 56 G HA2 0.295 4.256 3.960 0.001 0.000 0.216 56 G HA3 0.295 4.256 3.960 0.001 0.000 0.216 56 G C 1.713 176.635 174.900 0.037 0.000 1.274 56 G CA 1.067 46.189 45.100 0.035 0.000 0.856 56 G HN 1.044 nan 8.290 nan 0.000 0.555 57 G N 0.909 109.740 108.800 0.051 0.000 2.394 57 G HA2 0.092 4.052 3.960 0.001 0.000 0.214 57 G HA3 0.092 4.052 3.960 0.001 0.000 0.214 57 G C 0.602 175.520 174.900 0.030 0.000 1.176 57 G CA 0.958 46.088 45.100 0.051 0.000 0.786 57 G HN 0.701 nan 8.290 nan 0.000 0.533 58 N N -0.552 118.164 118.700 0.025 0.000 2.369 58 N HA 0.144 4.885 4.740 0.001 0.000 0.287 58 N C -0.956 174.558 175.510 0.006 0.000 1.067 58 N CA -0.760 52.294 53.050 0.008 0.000 0.888 58 N CB 1.846 40.328 38.487 -0.009 0.000 1.616 58 N HN 0.133 nan 8.380 nan 0.000 0.482 59 K N 1.721 122.123 120.400 0.003 0.000 2.502 59 K HA -0.254 4.067 4.320 0.001 0.000 0.268 59 K C -0.368 176.232 176.600 0.001 0.000 1.025 59 K CA 0.953 57.242 56.287 0.003 0.000 1.139 59 K CB 0.039 32.538 32.500 -0.001 0.000 0.810 59 K HN 0.754 nan 8.250 nan 0.000 0.483 60 Q N 1.887 121.690 119.800 0.004 0.000 3.224 60 Q HA -0.226 4.114 4.340 0.001 0.000 0.027 60 Q C -1.018 174.986 176.000 0.006 0.000 1.704 60 Q CA 1.072 56.876 55.803 0.003 0.000 0.244 60 Q CB -0.032 28.703 28.738 -0.004 0.000 0.584 60 Q HN 0.857 nan 8.270 nan 0.000 0.322 61 D N 2.629 123.034 120.400 0.009 0.000 2.472 61 D HA 0.078 4.718 4.640 0.001 0.000 0.237 61 D C -0.303 176.003 176.300 0.010 0.000 1.141 61 D CA 0.291 54.300 54.000 0.016 0.000 0.875 61 D CB 0.479 41.284 40.800 0.009 0.000 1.192 61 D HN 0.398 nan 8.370 nan 0.000 0.450 62 I N 5.163 125.747 120.570 0.023 0.000 2.354 62 I HA 0.240 4.410 4.170 0.001 0.000 0.286 62 I C -2.008 174.120 176.117 0.019 0.000 1.007 62 I CA -2.372 58.936 61.300 0.013 0.000 1.167 62 I CB 0.886 38.898 38.000 0.020 0.000 1.320 62 I HN 0.185 nan 8.210 nan 0.000 0.458 63 P HA 0.008 nan 4.420 nan 0.000 0.270 63 P C -0.231 177.079 177.300 0.017 0.000 1.221 63 P CA -0.174 62.926 63.100 0.000 0.000 0.788 63 P CB 0.688 32.370 31.700 -0.030 0.000 0.904 64 K N 1.583 122.004 120.400 0.036 0.000 2.299 64 K HA 0.324 4.645 4.320 0.001 0.000 0.268 64 K C -1.413 175.230 176.600 0.071 0.000 1.075 64 K CA -0.444 55.876 56.287 0.056 0.000 0.936 64 K CB 0.106 32.663 32.500 0.094 0.000 1.228 64 K HN 0.124 nan 8.250 nan 0.000 0.454 65 V N 2.868 122.826 119.914 0.074 0.000 2.347 65 V HA 0.318 4.439 4.120 0.001 0.000 0.280 65 V C -0.221 176.021 176.094 0.247 0.000 1.021 65 V CA -0.661 61.716 62.300 0.129 0.000 0.847 65 V CB 1.155 33.032 31.823 0.089 0.000 0.990 65 V HN 0.735 nan 8.190 nan 0.000 0.444 66 S N 3.015 118.882 115.700 0.279 0.000 2.548 66 S HA 0.720 5.190 4.470 0.001 0.000 0.286 66 S C 0.841 175.589 174.600 0.247 0.000 1.098 66 S CA 0.186 58.554 58.200 0.279 0.000 0.930 66 S CB 2.125 65.481 63.200 0.259 0.000 1.070 66 S HN 0.925 nan 8.310 nan 0.000 0.480 67 A N 2.578 125.416 122.820 0.031 0.000 2.167 67 A HA 0.190 4.511 4.320 0.001 0.000 0.214 67 A C 0.468 177.878 177.584 -0.289 0.000 1.151 67 A CA 0.727 52.719 52.037 -0.075 0.000 0.735 67 A CB -0.542 18.279 19.000 -0.299 0.000 0.802 67 A HN 0.837 nan 8.150 nan 0.000 0.467 68 Y N 1.136 121.528 120.300 0.155 0.000 2.547 68 Y HA 0.198 4.749 4.550 0.001 0.000 0.325 68 Y C 0.711 176.658 175.900 0.079 0.000 1.165 68 Y CA -0.179 57.997 58.100 0.127 0.000 1.300 68 Y CB -0.335 38.233 38.460 0.180 0.000 1.126 68 Y HN 0.541 nan 8.280 nan 0.000 0.513 69 Q N -1.843 118.051 119.800 0.157 0.000 2.377 69 Q HA 0.408 4.748 4.340 0.001 0.000 0.271 69 Q C -1.353 174.708 176.000 0.102 0.000 1.077 69 Q CA -1.287 54.606 55.803 0.150 0.000 0.820 69 Q CB 1.351 30.203 28.738 0.188 0.000 1.347 69 Q HN 0.196 nan 8.270 nan 0.000 0.444 70 Y N 0.679 121.050 120.300 0.117 0.000 2.480 70 Y HA 0.135 4.685 4.550 0.001 0.000 0.338 70 Y C 0.456 176.373 175.900 0.028 0.000 1.220 70 Y CA 0.070 58.222 58.100 0.086 0.000 1.430 70 Y CB 0.673 39.174 38.460 0.069 0.000 1.311 70 Y HN 0.297 nan 8.280 nan 0.000 0.575 71 R N 2.034 122.595 120.500 0.101 0.000 2.360 71 R HA 0.474 4.814 4.340 0.001 0.000 0.318 71 R C -1.770 174.347 176.300 -0.305 0.000 0.950 71 R CA -0.766 55.208 56.100 -0.211 0.000 0.837 71 R CB 1.437 31.460 30.300 -0.462 0.000 1.165 71 R HN 0.439 nan 8.270 nan 0.000 0.458 72 V N 4.962 124.717 119.914 -0.264 0.000 2.349 72 V HA 0.417 4.538 4.120 0.001 0.000 0.284 72 V C -0.388 175.594 176.094 -0.185 0.000 1.014 72 V CA -0.800 61.459 62.300 -0.068 0.000 0.826 72 V CB 0.781 32.743 31.823 0.233 0.000 1.009 72 V HN 0.465 nan 8.190 nan 0.000 0.431 73 F N 3.264 123.203 119.950 -0.018 0.000 2.404 73 F HA 0.554 5.081 4.527 0.001 0.000 0.345 73 F C 0.777 176.452 175.800 -0.209 0.000 1.110 73 F CA -0.424 57.510 58.000 -0.110 0.000 1.130 73 F CB 1.082 39.939 39.000 -0.237 0.000 1.129 73 F HN 0.323 nan 8.300 nan 0.000 0.500 74 R N 3.371 123.775 120.500 -0.159 0.000 2.239 74 R HA 0.533 4.874 4.340 0.001 0.000 0.332 74 R C -1.603 174.505 176.300 -0.320 0.000 0.988 74 R CA -0.435 55.313 56.100 -0.586 0.000 0.859 74 R CB 0.880 30.771 30.300 -0.681 0.000 1.148 74 R HN 0.555 nan 8.270 nan 0.000 0.482 75 V N 4.527 124.241 119.914 -0.333 0.000 2.406 75 V HA 0.138 4.258 4.120 0.001 0.000 0.272 75 V C -0.015 175.923 176.094 -0.260 0.000 1.043 75 V CA -0.539 61.625 62.300 -0.226 0.000 0.915 75 V CB 1.371 33.034 31.823 -0.267 0.000 0.988 75 V HN 0.645 nan 8.190 nan 0.000 0.466 76 Q N 4.643 124.336 119.800 -0.178 0.000 2.303 76 Q HA 0.584 4.924 4.340 0.001 0.000 0.257 76 Q C -0.917 174.972 176.000 -0.185 0.000 0.941 76 Q CA 0.010 55.717 55.803 -0.160 0.000 0.931 76 Q CB 1.124 29.806 28.738 -0.094 0.000 1.215 76 Q HN 0.689 nan 8.270 nan 0.000 0.437 77 L N 5.056 126.135 121.223 -0.241 0.000 2.358 77 L HA 0.731 5.072 4.340 0.001 0.000 0.268 77 L C -1.962 174.679 176.870 -0.382 0.000 1.032 77 L CA -2.377 52.229 54.840 -0.390 0.000 0.805 77 L CB 1.247 42.964 42.059 -0.570 0.000 1.253 77 L HN 0.556 nan 8.230 nan 0.000 0.452 78 P HA 0.023 nan 4.420 nan 0.000 0.277 78 P C -1.237 175.875 177.300 -0.314 0.000 1.240 78 P CA -0.292 62.494 63.100 -0.524 0.000 0.798 78 P CB 0.874 31.994 31.700 -0.966 0.000 0.979 79 D N 3.458 123.737 120.400 -0.202 0.000 2.338 79 D HA 0.049 4.689 4.640 0.001 0.000 0.255 79 D C -1.189 174.993 176.300 -0.197 0.000 1.237 79 D CA -2.113 51.812 54.000 -0.124 0.000 0.883 79 D CB 0.688 41.467 40.800 -0.035 0.000 1.087 79 D HN 0.204 nan 8.370 nan 0.000 0.485 80 P HA -0.103 nan 4.420 nan 0.000 0.230 80 P C 0.582 177.728 177.300 -0.256 0.000 1.158 80 P CA 0.563 63.357 63.100 -0.510 0.000 0.769 80 P CB 0.628 31.598 31.700 -1.217 0.000 0.807 81 N N 1.251 119.847 118.700 -0.174 0.000 2.182 81 N HA -0.029 4.711 4.740 0.001 0.000 0.186 81 N C 1.240 176.760 175.510 0.017 0.000 1.036 81 N CA 0.936 53.935 53.050 -0.085 0.000 0.850 81 N CB -0.409 38.042 38.487 -0.060 0.000 1.010 81 N HN 0.268 nan 8.380 nan 0.000 0.432 82 K N 0.301 120.724 120.400 0.038 0.000 2.743 82 K HA 0.053 4.374 4.320 0.001 0.000 0.219 82 K C -0.216 176.471 176.600 0.147 0.000 1.003 82 K CA -0.017 56.314 56.287 0.073 0.000 1.156 82 K CB -0.199 32.336 32.500 0.057 0.000 0.932 82 K HN 0.034 nan 8.250 nan 0.000 0.490 83 F N 0.359 120.269 119.950 -0.066 0.000 2.509 83 F HA 0.522 5.050 4.527 0.001 0.000 0.334 83 F C 0.469 176.254 175.800 -0.025 0.000 1.060 83 F CA -1.713 56.251 58.000 -0.060 0.000 0.997 83 F CB 1.215 40.148 39.000 -0.113 0.000 1.271 83 F HN -0.083 nan 8.300 nan 0.000 0.488 84 G N 4.351 112.776 108.800 -0.624 0.000 2.377 84 G HA2 0.526 4.487 3.960 0.001 0.000 0.316 84 G HA3 0.526 4.487 3.960 0.001 0.000 0.316 84 G C -1.091 173.478 174.900 -0.553 0.000 1.115 84 G CA -0.539 44.274 45.100 -0.478 0.000 0.952 84 G HN 0.586 nan 8.290 nan 0.000 0.441 85 L N 3.713 124.808 121.223 -0.212 0.000 2.399 85 L HA 0.368 4.708 4.340 0.001 0.000 0.265 85 L C -0.818 176.041 176.870 -0.018 0.000 1.089 85 L CA -1.894 52.911 54.840 -0.058 0.000 0.802 85 L CB 1.906 43.972 42.059 0.012 0.000 1.180 85 L HN 0.366 nan 8.230 nan 0.000 0.454 86 P HA -0.054 nan 4.420 nan 0.000 0.234 86 P C -0.470 176.846 177.300 0.026 0.000 1.167 86 P CA 0.929 64.050 63.100 0.036 0.000 0.763 86 P CB 0.173 31.904 31.700 0.052 0.000 0.835 87 D N -1.533 118.886 120.400 0.031 0.000 2.219 87 D HA 0.043 4.684 4.640 0.001 0.000 0.191 87 D C -0.584 175.745 176.300 0.049 0.000 1.272 87 D CA -0.195 53.824 54.000 0.032 0.000 0.873 87 D CB -0.217 40.602 40.800 0.033 0.000 1.730 87 D HN -0.353 nan 8.370 nan 0.000 0.519 88 T N 1.433 116.017 114.554 0.050 0.000 3.406 88 T HA 0.236 4.586 4.350 0.001 0.000 0.244 88 T C 0.820 175.576 174.700 0.094 0.000 0.949 88 T CA 0.265 62.424 62.100 0.099 0.000 0.926 88 T CB -0.310 68.606 68.868 0.081 0.000 1.089 88 T HN 0.356 nan 8.240 nan 0.000 0.604 89 S N -0.052 115.696 115.700 0.080 0.000 2.835 89 S HA 0.307 4.778 4.470 0.001 0.000 0.248 89 S C 0.887 175.532 174.600 0.076 0.000 1.070 89 S CA -0.577 57.653 58.200 0.050 0.000 1.090 89 S CB -0.179 63.032 63.200 0.018 0.000 0.978 89 S HN 0.219 nan 8.310 nan 0.000 0.510 90 I N 0.951 121.608 120.570 0.146 0.000 3.081 90 I HA 0.299 4.470 4.170 0.001 0.000 0.274 90 I C 0.736 176.961 176.117 0.180 0.000 1.178 90 I CA 0.234 61.602 61.300 0.113 0.000 1.460 90 I CB -0.814 37.226 38.000 0.066 0.000 1.137 90 I HN 0.715 nan 8.210 nan 0.000 0.443 91 Y N -0.182 120.086 120.300 -0.054 0.000 2.677 91 Y HA 0.591 5.141 4.550 0.001 0.000 0.334 91 Y C -0.535 175.328 175.900 -0.062 0.000 1.154 91 Y CA -1.623 56.438 58.100 -0.064 0.000 1.070 91 Y CB 1.122 39.526 38.460 -0.093 0.000 1.294 91 Y HN -0.058 nan 8.280 nan 0.000 0.475 92 N N 3.196 121.701 118.700 -0.324 0.000 2.527 92 N HA 0.363 5.104 4.740 0.001 0.000 0.236 92 N C -2.237 172.898 175.510 -0.626 0.000 0.999 92 N CA -2.800 49.987 53.050 -0.438 0.000 0.935 92 N CB 1.321 39.688 38.487 -0.201 0.000 1.132 92 N HN 0.398 nan 8.380 nan 0.000 0.511 93 P HA -0.115 nan 4.420 nan 0.000 0.231 93 P C 0.075 177.206 177.300 -0.282 0.000 1.154 93 P CA 0.942 63.677 63.100 -0.608 0.000 0.762 93 P CB 0.472 31.906 31.700 -0.443 0.000 0.790 94 E N -0.771 119.285 120.200 -0.239 0.000 2.201 94 E HA 0.000 4.351 4.350 0.001 0.000 0.193 94 E C 1.753 178.291 176.600 -0.104 0.000 0.957 94 E CA 1.506 57.823 56.400 -0.138 0.000 0.858 94 E CB -0.350 29.280 29.700 -0.116 0.000 0.816 94 E HN 0.376 nan 8.360 nan 0.000 0.475 95 T N -1.954 112.534 114.554 -0.110 0.000 3.003 95 T HA 0.157 4.508 4.350 0.001 0.000 0.261 95 T C 0.745 175.410 174.700 -0.059 0.000 1.003 95 T CA -0.329 61.731 62.100 -0.067 0.000 0.917 95 T CB 0.400 69.238 68.868 -0.049 0.000 1.084 95 T HN 0.059 nan 8.240 nan 0.000 0.522 96 Q N -0.229 119.527 119.800 -0.074 0.000 2.605 96 Q HA 0.769 5.110 4.340 0.001 0.000 0.296 96 Q C -1.184 174.789 176.000 -0.045 0.000 1.056 96 Q CA -1.448 54.333 55.803 -0.036 0.000 0.778 96 Q CB 1.782 30.542 28.738 0.038 0.000 1.497 96 Q HN -0.093 nan 8.270 nan 0.000 0.443 97 R N -0.028 120.345 120.500 -0.211 0.000 2.905 97 R HA 0.654 4.994 4.340 0.001 0.000 0.260 97 R C -1.030 175.006 176.300 -0.441 0.000 1.086 97 R CA -0.919 54.894 56.100 -0.478 0.000 0.978 97 R CB 1.478 30.983 30.300 -1.325 0.000 1.215 97 R HN 0.641 nan 8.270 nan 0.000 0.480 98 L N 0.980 121.892 121.223 -0.518 0.000 2.365 98 L HA 0.662 5.003 4.340 0.001 0.000 0.273 98 L C -0.761 175.914 176.870 -0.325 0.000 1.000 98 L CA -1.030 53.518 54.840 -0.487 0.000 0.819 98 L CB 2.241 43.887 42.059 -0.689 0.000 1.284 98 L HN 0.183 nan 8.230 nan 0.000 0.418 99 V N 0.239 119.967 119.914 -0.309 0.000 2.925 99 V HA 0.383 4.503 4.120 0.001 0.000 0.311 99 V C -1.168 174.765 176.094 -0.270 0.000 1.104 99 V CA -0.863 61.320 62.300 -0.195 0.000 0.954 99 V CB 2.212 34.007 31.823 -0.048 0.000 1.022 99 V HN 0.661 nan 8.190 nan 0.000 0.427 100 W N 1.869 123.074 121.300 -0.159 0.000 2.316 100 W HA 0.698 5.359 4.660 0.001 0.000 0.311 100 W C 0.228 176.670 176.519 -0.128 0.000 1.217 100 W CA -0.336 56.899 57.345 -0.183 0.000 1.199 100 W CB 1.510 30.757 29.460 -0.355 0.000 1.202 100 W HN 0.740 nan 8.180 nan 0.000 0.528 101 A N 3.348 126.357 122.820 0.316 0.000 2.371 101 A HA 0.506 4.827 4.320 0.001 0.000 0.311 101 A C -1.091 176.655 177.584 0.270 0.000 1.068 101 A CA -0.681 51.442 52.037 0.143 0.000 0.744 101 A CB 0.940 19.972 19.000 0.053 0.000 1.239 101 A HN 0.725 nan 8.150 nan 0.000 0.435 102 C N 2.195 121.580 119.300 0.140 0.000 2.585 102 C HA 0.583 5.044 4.460 0.001 0.000 0.406 102 C C 1.288 176.275 174.990 -0.006 0.000 1.312 102 C CA 0.693 59.767 59.018 0.093 0.000 1.924 102 C CB -0.134 27.601 27.740 -0.008 0.000 2.578 102 C HN 1.126 nan 8.230 nan 0.000 0.580 103 A N 3.847 126.651 122.820 -0.028 0.000 2.474 103 A HA 0.656 4.977 4.320 0.001 0.000 0.221 103 A C 0.564 178.214 177.584 0.110 0.000 1.298 103 A CA 0.595 52.679 52.037 0.077 0.000 1.008 103 A CB -0.011 19.094 19.000 0.175 0.000 1.217 103 A HN 1.433 nan 8.150 nan 0.000 0.553 104 G N -0.864 107.905 108.800 -0.051 0.000 2.732 104 G HA2 0.547 4.508 3.960 0.001 0.000 0.296 104 G HA3 0.547 4.508 3.960 0.001 0.000 0.296 104 G C -1.694 173.017 174.900 -0.316 0.000 1.448 104 G CA -0.241 44.836 45.100 -0.040 0.000 0.911 104 G HN 0.611 nan 8.290 nan 0.000 0.528 105 V N 0.050 119.702 119.914 -0.437 0.000 3.012 105 V HA 0.783 4.904 4.120 0.001 0.000 0.307 105 V C -0.866 174.974 176.094 -0.424 0.000 1.166 105 V CA -0.856 61.161 62.300 -0.472 0.000 0.974 105 V CB 2.255 33.865 31.823 -0.354 0.000 1.040 105 V HN 1.010 nan 8.190 nan 0.000 0.428 106 E N 2.519 122.432 120.200 -0.479 0.000 2.361 106 E HA 0.535 4.885 4.350 0.001 0.000 0.270 106 E C -1.908 174.515 176.600 -0.295 0.000 0.911 106 E CA -0.592 55.599 56.400 -0.348 0.000 0.818 106 E CB 1.488 30.946 29.700 -0.403 0.000 1.332 106 E HN 0.581 nan 8.360 nan 0.000 0.402 107 I N 3.884 124.400 120.570 -0.090 0.000 2.322 107 I HA 0.311 4.482 4.170 0.001 0.000 0.292 107 I C 0.796 176.816 176.117 -0.162 0.000 1.060 107 I CA 0.231 61.424 61.300 -0.178 0.000 1.309 107 I CB 1.454 39.373 38.000 -0.136 0.000 1.415 107 I HN 0.592 nan 8.210 nan 0.000 0.492 108 G N 6.918 115.591 108.800 -0.212 0.000 2.355 108 G HA2 0.402 4.362 3.960 0.001 0.000 0.276 108 G HA3 0.402 4.362 3.960 0.001 0.000 0.276 108 G C -0.093 174.669 174.900 -0.230 0.000 1.198 108 G CA -0.639 44.355 45.100 -0.175 0.000 0.876 108 G HN 0.358 nan 8.290 nan 0.000 0.478 109 R N 1.758 122.139 120.500 -0.199 0.000 2.460 109 R HA 0.401 4.741 4.340 0.001 0.000 0.303 109 R C 1.100 177.293 176.300 -0.178 0.000 0.968 109 R CA -0.235 55.697 56.100 -0.281 0.000 0.889 109 R CB 1.779 31.932 30.300 -0.244 0.000 1.123 109 R HN 0.570 nan 8.270 nan 0.000 0.455 110 G N 2.002 110.682 108.800 -0.200 0.000 2.624 110 G HA2 -0.098 3.862 3.960 0.001 0.000 0.216 110 G HA3 -0.098 3.862 3.960 0.001 0.000 0.216 110 G C 0.263 175.117 174.900 -0.078 0.000 1.274 110 G CA 0.141 45.172 45.100 -0.116 0.000 0.856 110 G HN 0.350 nan 8.290 nan 0.000 0.555 111 Q N 1.088 120.844 119.800 -0.072 0.000 2.631 111 Q HA 0.230 4.571 4.340 0.001 0.000 0.210 111 Q C -2.013 173.976 176.000 -0.018 0.000 1.094 111 Q CA -1.302 54.480 55.803 -0.036 0.000 1.055 111 Q CB -0.050 28.671 28.738 -0.028 0.000 1.261 111 Q HN 0.264 nan 8.270 nan 0.000 0.615 112 P HA 0.137 nan 4.420 nan 0.000 0.276 112 P C -0.433 176.879 177.300 0.020 0.000 1.244 112 P CA -0.496 62.608 63.100 0.008 0.000 0.801 112 P CB 0.637 32.344 31.700 0.011 0.000 1.006 113 L N 1.095 122.333 121.223 0.024 0.000 2.467 113 L HA 0.516 4.856 4.340 0.001 0.000 0.270 113 L C 1.149 178.043 176.870 0.039 0.000 1.205 113 L CA 1.456 56.317 54.840 0.034 0.000 0.828 113 L CB -0.213 41.865 42.059 0.032 0.000 1.101 113 L HN 0.780 nan 8.230 nan 0.000 0.479 114 G N 1.443 110.271 108.800 0.048 0.000 2.489 114 G HA2 0.555 4.515 3.960 0.001 0.000 0.291 114 G HA3 0.555 4.515 3.960 0.001 0.000 0.291 114 G C -1.711 173.224 174.900 0.058 0.000 1.487 114 G CA -0.061 45.070 45.100 0.051 0.000 0.795 114 G HN 0.716 nan 8.290 nan 0.000 0.513 115 V N -1.746 118.203 119.914 0.059 0.000 3.046 115 V HA 1.088 5.208 4.120 0.001 0.000 0.316 115 V C 0.312 176.445 176.094 0.064 0.000 1.104 115 V CA -0.311 62.033 62.300 0.072 0.000 1.006 115 V CB 1.616 33.484 31.823 0.074 0.000 1.058 115 V HN 2.187 nan 8.190 nan 0.000 0.440 116 G N 1.266 110.114 108.800 0.080 0.000 2.667 116 G HA2 0.591 4.552 3.960 0.001 0.000 0.294 116 G HA3 0.591 4.552 3.960 0.001 0.000 0.294 116 G C -1.611 173.321 174.900 0.053 0.000 1.467 116 G CA -0.982 44.154 45.100 0.060 0.000 0.852 116 G HN 0.896 nan 8.290 nan 0.000 0.521 117 L N 0.497 121.735 121.223 0.025 0.000 2.375 117 L HA 0.769 5.109 4.340 0.001 0.000 0.268 117 L C 0.327 177.138 176.870 -0.099 0.000 1.058 117 L CA -0.780 54.028 54.840 -0.055 0.000 0.803 117 L CB 1.840 43.877 42.059 -0.036 0.000 1.212 117 L HN 0.491 nan 8.230 nan 0.000 0.451 118 S N -0.541 114.963 115.700 -0.328 0.000 2.570 118 S HA 0.883 5.354 4.470 0.001 0.000 0.286 118 S C -0.209 174.156 174.600 -0.392 0.000 1.099 118 S CA -0.617 57.307 58.200 -0.460 0.000 0.913 118 S CB 2.212 65.017 63.200 -0.660 0.000 1.085 118 S HN 0.895 nan 8.310 nan 0.000 0.480 119 G N 0.424 108.964 108.800 -0.434 0.000 2.721 119 G HA2 0.631 4.591 3.960 0.001 0.000 0.296 119 G HA3 0.631 4.591 3.960 0.001 0.000 0.296 119 G C -2.161 172.653 174.900 -0.142 0.000 1.383 119 G CA -0.414 44.562 45.100 -0.208 0.000 0.788 119 G HN 0.632 nan 8.290 nan 0.000 0.500 120 H N 0.007 119.019 119.070 -0.097 0.000 2.966 120 H HA 0.384 4.941 4.556 0.001 0.000 0.347 120 H C -2.124 173.116 175.328 -0.147 0.000 1.048 120 H CA -1.493 54.508 56.048 -0.078 0.000 1.295 120 H CB 3.034 32.809 29.762 0.022 0.000 1.744 120 H HN 0.137 nan 8.280 nan 0.000 0.513 121 P HA -0.071 nan 4.420 nan 0.000 0.218 121 P C 0.019 177.001 177.300 -0.530 0.000 1.148 121 P CA 1.365 64.172 63.100 -0.487 0.000 0.822 121 P CB 0.071 31.227 31.700 -0.907 0.000 0.784 122 F N -3.304 116.909 119.950 0.438 0.000 2.761 122 F HA 0.274 4.802 4.527 0.001 0.000 0.367 122 F C 0.345 176.020 175.800 -0.207 0.000 1.386 122 F CA -1.275 56.766 58.000 0.068 0.000 1.177 122 F CB -0.600 38.420 39.000 0.034 0.000 1.092 122 F HN -0.220 nan 8.300 nan 0.000 0.517 123 Y N 2.451 122.649 120.300 -0.170 0.000 2.895 123 Y HA -0.148 4.403 4.550 0.001 0.000 0.334 123 Y C 0.860 176.636 175.900 -0.207 0.000 1.261 123 Y CA 0.099 58.044 58.100 -0.258 0.000 1.560 123 Y CB 0.332 38.680 38.460 -0.188 0.000 1.253 123 Y HN 0.305 nan 8.280 nan 0.000 0.582 124 N N 6.311 124.845 118.700 -0.276 0.000 2.868 124 N HA 0.086 4.826 4.740 0.001 0.000 0.252 124 N C -1.355 174.149 175.510 -0.010 0.000 1.130 124 N CA -0.247 52.715 53.050 -0.147 0.000 1.026 124 N CB -0.008 38.355 38.487 -0.208 0.000 1.335 124 N HN 0.543 nan 8.380 nan 0.000 0.516 125 K N 3.374 123.810 120.400 0.059 0.000 2.307 125 K HA 0.171 4.491 4.320 0.001 0.000 0.263 125 K C 0.384 176.928 176.600 -0.094 0.000 0.973 125 K CA -0.655 55.585 56.287 -0.078 0.000 0.846 125 K CB 1.219 33.400 32.500 -0.531 0.000 1.100 125 K HN 0.291 nan 8.250 nan 0.000 0.438 126 L N 3.807 125.021 121.223 -0.015 0.000 1.982 126 L HA 0.013 4.354 4.340 0.001 0.000 0.206 126 L C -0.255 176.617 176.870 0.005 0.000 1.078 126 L CA 1.995 56.834 54.840 -0.001 0.000 0.749 126 L CB -0.047 42.028 42.059 0.027 0.000 0.894 126 L HN 0.899 nan 8.230 nan 0.000 0.436 127 D N -3.299 117.150 120.400 0.081 0.000 2.692 127 D HA 0.214 4.854 4.640 0.001 0.000 0.290 127 D C -1.606 174.882 176.300 0.314 0.000 1.281 127 D CA -0.660 53.418 54.000 0.130 0.000 0.804 127 D CB 0.137 41.003 40.800 0.111 0.000 1.331 127 D HN -0.007 nan 8.370 nan 0.000 0.432 128 D N -1.030 119.562 120.400 0.320 0.000 2.325 128 D HA 0.358 4.998 4.640 0.001 0.000 0.251 128 D C 0.669 177.150 176.300 0.302 0.000 1.196 128 D CA -0.201 54.051 54.000 0.420 0.000 0.866 128 D CB 0.942 41.924 40.800 0.304 0.000 1.101 128 D HN 0.435 nan 8.370 nan 0.000 0.476 129 T N -0.049 114.708 114.554 0.338 0.000 3.092 129 T HA 0.076 4.426 4.350 0.001 0.000 0.258 129 T C 1.285 176.127 174.700 0.236 0.000 1.031 129 T CA -0.229 62.045 62.100 0.290 0.000 0.925 129 T CB 0.085 69.191 68.868 0.397 0.000 1.036 129 T HN 0.515 nan 8.240 nan 0.000 0.544 130 E N 2.563 122.862 120.200 0.166 0.000 2.028 130 E HA -0.097 4.253 4.350 0.001 0.000 0.190 130 E C 1.051 177.645 176.600 -0.010 0.000 0.984 130 E CA 1.420 57.818 56.400 -0.004 0.000 0.800 130 E CB 0.150 29.650 29.700 -0.332 0.000 0.758 130 E HN 0.606 nan 8.360 nan 0.000 0.448 131 S N -0.118 115.584 115.700 0.003 0.000 2.690 131 S HA 0.085 4.555 4.470 0.001 0.000 0.227 131 S C -0.381 174.229 174.600 0.018 0.000 0.750 131 S CA -0.139 58.057 58.200 -0.007 0.000 1.015 131 S CB -0.570 62.595 63.200 -0.059 0.000 1.556 131 S HN 0.272 nan 8.310 nan 0.000 0.487 132 S N 1.497 117.241 115.700 0.073 0.000 2.711 132 S HA -0.082 4.389 4.470 0.001 0.000 0.320 132 S C 0.955 175.615 174.600 0.100 0.000 1.240 132 S CA 0.047 58.310 58.200 0.105 0.000 1.034 132 S CB -0.166 63.106 63.200 0.120 0.000 0.741 132 S HN 0.515 nan 8.310 nan 0.000 0.496 133 H N 2.321 121.414 119.070 0.038 0.000 2.492 133 H HA 0.020 4.576 4.556 0.001 0.000 0.296 133 H C 1.046 176.391 175.328 0.028 0.000 1.095 133 H CA 1.600 57.665 56.048 0.028 0.000 1.281 133 H CB -0.138 29.639 29.762 0.025 0.000 1.374 133 H HN 0.880 nan 8.280 nan 0.000 0.545 134 A N -1.122 121.802 122.820 0.173 0.000 4.056 134 A HA 0.580 4.901 4.320 0.001 0.000 0.277 134 A C -0.389 177.247 177.584 0.086 0.000 1.037 134 A CA -0.014 52.091 52.037 0.113 0.000 0.572 134 A CB -0.512 18.549 19.000 0.102 0.000 1.685 134 A HN 0.309 nan 8.150 nan 0.000 0.799 135 A N -0.541 122.319 122.820 0.067 0.000 2.325 135 A HA 0.552 4.872 4.320 0.001 0.000 0.283 135 A C 0.771 178.391 177.584 0.061 0.000 1.211 135 A CA 1.288 53.359 52.037 0.057 0.000 0.850 135 A CB -0.682 18.343 19.000 0.042 0.000 1.122 135 A HN 2.371 nan 8.150 nan 0.000 0.515 136 T N -2.707 111.878 114.554 0.052 0.000 2.865 136 T HA 0.589 4.940 4.350 0.001 0.000 0.294 136 T C -0.011 174.709 174.700 0.033 0.000 1.119 136 T CA -0.001 62.129 62.100 0.050 0.000 1.007 136 T CB 0.662 69.569 68.868 0.066 0.000 1.225 136 T HN 1.819 nan 8.240 nan 0.000 0.515 137 S N 1.449 117.165 115.700 0.028 0.000 2.593 137 S HA -0.048 4.423 4.470 0.001 0.000 0.303 137 S C 0.249 174.855 174.600 0.011 0.000 1.267 137 S CA -0.385 57.824 58.200 0.016 0.000 1.047 137 S CB -0.655 62.551 63.200 0.011 0.000 0.777 137 S HN 0.894 nan 8.310 nan 0.000 0.498 138 N N 1.503 120.206 118.700 0.006 0.000 2.440 138 N HA 0.075 4.815 4.740 0.001 0.000 0.265 138 N C 0.372 175.880 175.510 -0.004 0.000 1.239 138 N CA -0.138 52.913 53.050 0.001 0.000 0.909 138 N CB 0.375 38.862 38.487 -0.000 0.000 1.066 138 N HN 0.559 nan 8.380 nan 0.000 0.474 139 V N 2.771 122.681 119.914 -0.006 0.000 3.394 139 V HA -0.067 4.053 4.120 0.001 0.000 0.340 139 V C 1.624 177.708 176.094 -0.015 0.000 1.174 139 V CA 0.524 62.816 62.300 -0.013 0.000 1.368 139 V CB -1.939 29.874 31.823 -0.017 0.000 1.111 139 V HN 0.728 nan 8.190 nan 0.000 0.420 140 S N 0.577 116.269 115.700 -0.013 0.000 2.396 140 S HA -0.089 4.382 4.470 0.001 0.000 0.204 140 S C 1.112 175.700 174.600 -0.021 0.000 1.060 140 S CA 1.076 59.267 58.200 -0.015 0.000 1.098 140 S CB 0.082 63.275 63.200 -0.012 0.000 1.022 140 S HN 0.675 nan 8.310 nan 0.000 0.413 141 E N 0.744 120.931 120.200 -0.022 0.000 3.491 141 E HA 0.242 4.593 4.350 0.001 0.000 0.337 141 E C -1.068 175.512 176.600 -0.033 0.000 0.545 141 E CA -0.540 55.843 56.400 -0.028 0.000 2.130 141 E CB 0.431 30.115 29.700 -0.028 0.000 2.087 141 E HN 0.262 nan 8.360 nan 0.000 0.434 142 D N 0.631 121.010 120.400 -0.036 0.000 2.494 142 D HA 0.161 4.802 4.640 0.001 0.000 0.217 142 D C -0.583 175.703 176.300 -0.023 0.000 1.153 142 D CA 0.013 53.986 54.000 -0.044 0.000 0.954 142 D CB 0.928 41.690 40.800 -0.064 0.000 1.034 142 D HN 0.110 nan 8.370 nan 0.000 0.518 143 V N 4.060 123.962 119.914 -0.020 0.000 3.177 143 V HA 0.195 4.316 4.120 0.001 0.000 0.342 143 V C 1.033 177.122 176.094 -0.008 0.000 1.379 143 V CA -0.319 61.974 62.300 -0.012 0.000 1.191 143 V CB -0.636 31.176 31.823 -0.019 0.000 1.167 143 V HN 0.247 nan 8.190 nan 0.000 0.471 144 R N 1.570 122.080 120.500 0.017 0.000 2.490 144 R HA 0.390 4.730 4.340 0.001 0.000 0.280 144 R C -0.655 175.694 176.300 0.082 0.000 1.077 144 R CA 0.064 56.193 56.100 0.049 0.000 1.065 144 R CB 0.633 30.994 30.300 0.102 0.000 1.003 144 R HN 0.361 nan 8.270 nan 0.000 0.470 145 D N 0.785 121.200 120.400 0.025 0.000 2.423 145 D HA 0.088 4.728 4.640 0.001 0.000 0.235 145 D C -0.733 175.543 176.300 -0.041 0.000 1.011 145 D CA -0.715 53.272 54.000 -0.022 0.000 0.963 145 D CB 1.412 42.146 40.800 -0.111 0.000 1.349 145 D HN 0.343 nan 8.370 nan 0.000 0.508 146 N N 1.345 119.999 118.700 -0.078 0.000 2.406 146 N HA 0.229 4.969 4.740 0.001 0.000 0.251 146 N C -0.880 174.556 175.510 -0.123 0.000 1.069 146 N CA -0.163 52.827 53.050 -0.101 0.000 0.947 146 N CB 0.630 39.045 38.487 -0.119 0.000 1.111 146 N HN 0.292 nan 8.380 nan 0.000 0.497 147 V N 1.092 120.925 119.914 -0.135 0.000 3.040 147 V HA 0.849 4.969 4.120 0.001 0.000 0.312 147 V C -0.196 175.813 176.094 -0.140 0.000 1.115 147 V CA -0.773 61.403 62.300 -0.206 0.000 0.998 147 V CB 1.555 33.099 31.823 -0.465 0.000 1.042 147 V HN 0.652 nan 8.190 nan 0.000 0.433 148 S N 1.957 117.591 115.700 -0.110 0.000 2.709 148 S HA 0.957 5.428 4.470 0.001 0.000 0.302 148 S C -0.689 173.879 174.600 -0.054 0.000 1.127 148 S CA -0.320 57.825 58.200 -0.091 0.000 0.905 148 S CB 1.703 64.852 63.200 -0.086 0.000 1.151 148 S HN 2.345 nan 8.310 nan 0.000 0.510 149 V N 0.979 120.837 119.914 -0.093 0.000 3.023 149 V HA 0.440 4.561 4.120 0.001 0.000 0.294 149 V C -2.174 173.803 176.094 -0.194 0.000 1.324 149 V CA -0.767 61.495 62.300 -0.062 0.000 0.979 149 V CB 2.093 33.960 31.823 0.074 0.000 1.093 149 V HN 1.178 nan 8.190 nan 0.000 0.434 150 D N 5.343 125.677 120.400 -0.111 0.000 2.277 150 D HA 0.276 4.916 4.640 0.001 0.000 0.249 150 D C -0.256 176.014 176.300 -0.051 0.000 1.134 150 D CA -0.057 53.885 54.000 -0.096 0.000 0.863 150 D CB 0.888 41.694 40.800 0.010 0.000 1.143 150 D HN 0.601 nan 8.370 nan 0.000 0.458 151 Y N 0.444 120.668 120.300 -0.127 0.000 2.260 151 Y HA 0.048 4.599 4.550 0.001 0.000 0.339 151 Y C 1.647 177.515 175.900 -0.054 0.000 1.317 151 Y CA -1.071 56.900 58.100 -0.216 0.000 1.514 151 Y CB 0.849 38.894 38.460 -0.692 0.000 1.382 151 Y HN 0.289 nan 8.280 nan 0.000 0.581 152 K N 1.694 122.171 120.400 0.129 0.000 2.518 152 K HA -0.119 4.201 4.320 0.001 0.000 0.276 152 K C -0.506 176.224 176.600 0.217 0.000 0.974 152 K CA -0.136 56.210 56.287 0.099 0.000 0.986 152 K CB 0.402 32.926 32.500 0.041 0.000 0.901 152 K HN 0.672 nan 8.250 nan 0.000 0.497 153 Q N 2.483 122.385 119.800 0.171 0.000 2.257 153 Q HA 0.234 4.574 4.340 0.001 0.000 0.255 153 Q C -1.413 174.684 176.000 0.162 0.000 0.920 153 Q CA -0.488 55.432 55.803 0.195 0.000 0.927 153 Q CB 1.496 30.321 28.738 0.146 0.000 1.229 153 Q HN 0.690 nan 8.270 nan 0.000 0.433 154 T N 3.641 118.296 114.554 0.169 0.000 2.912 154 T HA 0.425 4.776 4.350 0.001 0.000 0.299 154 T C -1.179 173.596 174.700 0.124 0.000 1.052 154 T CA -0.779 61.408 62.100 0.145 0.000 0.996 154 T CB 1.692 70.663 68.868 0.172 0.000 1.070 154 T HN 0.600 nan 8.240 nan 0.000 0.465 155 Q N 2.049 121.906 119.800 0.096 0.000 2.275 155 Q HA 0.660 5.001 4.340 0.001 0.000 0.266 155 Q C -1.379 174.675 176.000 0.089 0.000 1.002 155 Q CA -0.930 54.920 55.803 0.078 0.000 0.761 155 Q CB 2.316 30.971 28.738 -0.139 0.000 1.255 155 Q HN 0.652 nan 8.270 nan 0.000 0.446 156 L N -1.027 120.334 121.223 0.230 0.000 2.469 156 L HA 0.983 5.323 4.340 0.001 0.000 0.256 156 L C -1.332 175.749 176.870 0.350 0.000 1.006 156 L CA -0.829 54.143 54.840 0.221 0.000 0.832 156 L CB 2.198 44.401 42.059 0.240 0.000 1.421 156 L HN 0.681 nan 8.230 nan 0.000 0.410 157 C N 2.308 121.769 119.300 0.269 0.000 2.811 157 C HA 0.857 5.318 4.460 0.001 0.000 0.352 157 C C -1.259 173.871 174.990 0.233 0.000 1.098 157 C CA -0.360 58.847 59.018 0.315 0.000 1.295 157 C CB 0.461 28.458 27.740 0.428 0.000 1.758 157 C HN 0.854 nan 8.230 nan 0.000 0.488 158 I N 5.867 126.589 120.570 0.253 0.000 2.569 158 I HA 0.486 4.656 4.170 0.001 0.000 0.290 158 I C -0.781 175.487 176.117 0.251 0.000 1.088 158 I CA -0.609 60.825 61.300 0.223 0.000 1.047 158 I CB 1.772 39.840 38.000 0.112 0.000 1.237 158 I HN 0.466 nan 8.210 nan 0.000 0.421 159 L N 4.705 126.123 121.223 0.324 0.000 2.334 159 L HA 0.932 5.273 4.340 0.001 0.000 0.276 159 L C 0.243 177.009 176.870 -0.173 0.000 1.014 159 L CA -0.387 54.609 54.840 0.260 0.000 0.815 159 L CB 1.966 44.316 42.059 0.485 0.000 1.268 159 L HN 0.856 nan 8.230 nan 0.000 0.428 160 G N -0.007 108.586 108.800 -0.345 0.000 2.550 160 G HA2 0.334 4.294 3.960 0.001 0.000 0.293 160 G HA3 0.334 4.294 3.960 0.001 0.000 0.293 160 G C -0.647 174.073 174.900 -0.301 0.000 1.402 160 G CA -0.291 44.189 45.100 -1.033 0.000 0.784 160 G HN 0.715 nan 8.290 nan 0.000 0.482 161 C N -0.835 118.378 119.300 -0.144 0.000 2.470 161 C HA 0.824 5.284 4.460 0.001 0.000 0.311 161 C C 0.727 175.869 174.990 0.254 0.000 1.387 161 C CA -0.255 58.899 59.018 0.227 0.000 1.783 161 C CB -1.601 26.331 27.740 0.320 0.000 2.416 161 C HN 1.586 nan 8.230 nan 0.000 0.558 162 A N 1.162 123.981 122.820 -0.002 0.000 2.589 162 A HA 0.863 5.184 4.320 0.001 0.000 0.296 162 A C -2.980 174.026 177.584 -0.964 0.000 1.062 162 A CA -1.023 50.779 52.037 -0.391 0.000 0.686 162 A CB 0.972 19.883 19.000 -0.148 0.000 1.282 162 A HN 0.199 nan 8.150 nan 0.000 0.404 163 P HA 0.274 nan 4.420 nan 0.000 0.266 163 P C 0.141 177.125 177.300 -0.527 0.000 1.193 163 P CA 0.530 62.887 63.100 -1.238 0.000 0.770 163 P CB 0.759 31.779 31.700 -1.133 0.000 0.836 164 A N 3.007 125.622 122.820 -0.341 0.000 2.287 164 A HA 0.502 4.823 4.320 0.001 0.000 0.273 164 A C 0.063 177.505 177.584 -0.237 0.000 1.091 164 A CA -0.500 51.387 52.037 -0.250 0.000 0.817 164 A CB -0.063 18.814 19.000 -0.204 0.000 1.069 164 A HN 0.474 nan 8.150 nan 0.000 0.492 165 I N 0.497 120.932 120.570 -0.225 0.000 2.377 165 I HA 0.525 4.696 4.170 0.001 0.000 0.293 165 I C 0.824 176.796 176.117 -0.241 0.000 0.987 165 I CA 0.488 61.666 61.300 -0.204 0.000 1.185 165 I CB 1.884 39.790 38.000 -0.156 0.000 1.341 165 I HN 0.706 nan 8.210 nan 0.000 0.455 166 G N 4.408 113.082 108.800 -0.210 0.000 2.537 166 G HA2 0.747 4.707 3.960 0.001 0.000 0.323 166 G HA3 0.747 4.707 3.960 0.001 0.000 0.323 166 G C -1.277 173.570 174.900 -0.088 0.000 1.207 166 G CA -0.418 44.573 45.100 -0.182 0.000 0.976 166 G HN 0.620 nan 8.290 nan 0.000 0.487 167 E N -0.649 119.533 120.200 -0.030 0.000 2.317 167 E HA 0.627 4.978 4.350 0.001 0.000 0.270 167 E C -1.404 175.216 176.600 0.034 0.000 0.885 167 E CA -0.985 55.374 56.400 -0.068 0.000 0.760 167 E CB 2.332 31.963 29.700 -0.115 0.000 1.227 167 E HN 0.768 nan 8.360 nan 0.000 0.434 168 H N 0.499 119.450 119.070 -0.199 0.000 3.037 168 H HA 0.254 4.810 4.556 0.001 0.000 0.336 168 H C -1.994 173.162 175.328 -0.287 0.000 1.323 168 H CA -1.109 54.849 56.048 -0.149 0.000 1.159 168 H CB 0.282 30.039 29.762 -0.008 0.000 1.882 168 H HN 0.622 nan 8.280 nan 0.000 0.535 169 W N 1.654 122.930 121.300 -0.041 0.000 2.351 169 W HA 0.685 5.345 4.660 0.001 0.000 0.311 169 W C 0.042 176.523 176.519 -0.064 0.000 1.168 169 W CA -0.112 57.162 57.345 -0.118 0.000 1.200 169 W CB 1.603 31.021 29.460 -0.070 0.000 1.221 169 W HN 0.811 nan 8.180 nan 0.000 0.519 170 A N 2.966 125.817 122.820 0.051 0.000 2.350 170 A HA 0.580 4.900 4.320 0.001 0.000 0.318 170 A C -0.740 176.890 177.584 0.076 0.000 1.132 170 A CA -1.129 50.956 52.037 0.079 0.000 0.811 170 A CB 1.312 20.337 19.000 0.042 0.000 1.313 170 A HN 0.570 nan 8.150 nan 0.000 0.454 171 K N 1.385 121.821 120.400 0.061 0.000 2.228 171 K HA 0.342 4.662 4.320 0.001 0.000 0.284 171 K C 0.449 177.069 176.600 0.034 0.000 1.088 171 K CA 0.320 56.632 56.287 0.040 0.000 0.941 171 K CB -0.236 32.282 32.500 0.030 0.000 1.158 171 K HN 0.771 nan 8.250 nan 0.000 0.438 172 G N 2.130 110.950 108.800 0.033 0.000 2.773 172 G HA2 0.134 4.094 3.960 0.001 0.000 0.186 172 G HA3 0.134 4.094 3.960 0.001 0.000 0.186 172 G C -0.634 174.276 174.900 0.015 0.000 1.411 172 G CA -0.588 44.524 45.100 0.020 0.000 1.054 172 G HN 0.658 nan 8.290 nan 0.000 0.579 173 T N -0.523 114.037 114.554 0.010 0.000 2.826 173 T HA 0.307 4.658 4.350 0.001 0.000 0.301 173 T C 0.094 174.800 174.700 0.010 0.000 1.038 173 T CA 0.792 62.897 62.100 0.007 0.000 1.134 173 T CB 0.182 69.055 68.868 0.008 0.000 1.083 173 T HN 1.858 nan 8.240 nan 0.000 0.494 174 A N 1.825 124.650 122.820 0.007 0.000 2.508 174 A HA 0.568 4.889 4.320 0.001 0.000 0.297 174 A C 0.208 177.794 177.584 0.004 0.000 1.036 174 A CA -0.526 51.515 52.037 0.006 0.000 0.957 174 A CB 0.526 19.530 19.000 0.006 0.000 1.428 174 A HN 1.464 nan 8.150 nan 0.000 0.393 175 S N 2.385 118.087 115.700 0.003 0.000 2.558 175 S HA 0.140 4.610 4.470 0.001 0.000 0.291 175 S C 1.239 175.840 174.600 0.001 0.000 1.306 175 S CA 0.500 58.701 58.200 0.002 0.000 1.056 175 S CB 0.510 63.711 63.200 0.002 0.000 0.836 175 S HN 0.963 nan 8.310 nan 0.000 0.504 176 K N 2.620 123.020 120.400 0.000 0.000 2.015 176 K HA -0.241 4.080 4.320 0.001 0.000 0.216 176 K C 2.337 178.937 176.600 -0.000 0.000 1.052 176 K CA 1.943 58.230 56.287 -0.000 0.000 0.937 176 K CB -1.212 31.287 32.500 -0.001 0.000 0.719 176 K HN 0.780 nan 8.250 nan 0.000 0.446 177 S N 0.707 116.407 115.700 -0.000 0.000 2.348 177 S HA -0.156 4.314 4.470 0.001 0.000 0.221 177 S C 1.355 175.955 174.600 -0.000 0.000 1.033 177 S CA 0.503 58.703 58.200 -0.000 0.000 1.010 177 S CB -0.253 62.947 63.200 0.000 0.000 0.891 177 S HN 0.234 nan 8.310 nan 0.000 0.442 178 R N 2.504 123.005 120.500 0.000 0.000 2.278 178 R HA 0.436 4.776 4.340 0.001 0.000 0.322 178 R C -2.745 173.555 176.300 0.000 0.000 1.058 178 R CA -2.302 53.798 56.100 0.000 0.000 0.991 178 R CB 0.864 31.164 30.300 0.000 0.000 1.140 178 R HN 0.327 nan 8.270 nan 0.000 0.518 179 P HA -0.055 nan 4.420 nan 0.000 0.273 179 P C -0.801 176.499 177.300 -0.001 0.000 1.252 179 P CA -0.291 62.808 63.100 -0.001 0.000 0.809 179 P CB 0.558 32.257 31.700 -0.001 0.000 1.017 180 L N 0.220 121.443 121.223 -0.001 0.000 2.376 180 L HA 0.313 4.654 4.340 0.001 0.000 0.275 180 L C -0.302 176.567 176.870 -0.002 0.000 0.987 180 L CA -0.335 54.504 54.840 -0.002 0.000 0.828 180 L CB 1.000 43.058 42.059 -0.001 0.000 1.249 180 L HN 0.348 nan 8.230 nan 0.000 0.409 181 S N 2.751 118.449 115.700 -0.003 0.000 2.531 181 S HA 0.309 4.780 4.470 0.001 0.000 0.279 181 S C 0.079 174.676 174.600 -0.005 0.000 1.305 181 S CA -0.556 57.641 58.200 -0.004 0.000 1.058 181 S CB 0.810 64.007 63.200 -0.004 0.000 0.899 181 S HN 0.611 nan 8.310 nan 0.000 0.493 182 Q N 1.907 121.704 119.800 -0.005 0.000 2.320 182 Q HA 0.348 4.688 4.340 0.001 0.000 0.311 182 Q C 1.307 177.303 176.000 -0.007 0.000 1.083 182 Q CA 1.848 57.647 55.803 -0.006 0.000 1.001 182 Q CB -0.421 28.313 28.738 -0.006 0.000 1.074 182 Q HN 1.352 nan 8.270 nan 0.000 0.379 183 G N 3.212 112.007 108.800 -0.008 0.000 2.253 183 G HA2 -0.196 3.765 3.960 0.001 0.000 0.209 183 G HA3 -0.196 3.765 3.960 0.001 0.000 0.209 183 G C -0.251 174.643 174.900 -0.011 0.000 0.997 183 G CA -0.125 44.969 45.100 -0.010 0.000 0.640 183 G HN 0.632 nan 8.290 nan 0.000 0.496 184 D N 0.058 120.453 120.400 -0.009 0.000 2.358 184 D HA 0.468 5.109 4.640 0.001 0.000 0.244 184 D C 0.763 177.057 176.300 -0.010 0.000 1.163 184 D CA 0.083 54.077 54.000 -0.009 0.000 0.945 184 D CB 1.118 41.914 40.800 -0.007 0.000 1.152 184 D HN 0.380 nan 8.370 nan 0.000 0.451 185 C N 2.932 122.224 119.300 -0.013 0.000 2.499 185 C HA 0.415 4.875 4.460 0.001 0.000 0.386 185 C C -1.900 173.082 174.990 -0.012 0.000 1.293 185 C CA -1.328 57.681 59.018 -0.015 0.000 1.884 185 C CB -0.656 27.072 27.740 -0.022 0.000 2.509 185 C HN 0.452 nan 8.230 nan 0.000 0.566 186 P HA 0.417 nan 4.420 nan 0.000 0.275 186 P C -2.818 174.480 177.300 -0.003 0.000 1.266 186 P CA -0.983 62.116 63.100 -0.003 0.000 0.793 186 P CB -0.053 31.648 31.700 0.003 0.000 1.074 187 P HA 0.303 nan 4.420 nan 0.000 0.293 187 P C -0.908 176.415 177.300 0.038 0.000 1.291 187 P CA -0.468 62.640 63.100 0.014 0.000 0.867 187 P CB 0.796 32.507 31.700 0.018 0.000 1.074 188 L N 1.967 123.223 121.223 0.055 0.000 2.312 188 L HA 0.456 4.796 4.340 0.001 0.000 0.281 188 L C 0.749 177.769 176.870 0.251 0.000 1.070 188 L CA -0.012 54.914 54.840 0.145 0.000 0.805 188 L CB 0.208 42.303 42.059 0.059 0.000 1.174 188 L HN 0.574 nan 8.230 nan 0.000 0.434 189 E N 2.162 122.512 120.200 0.251 0.000 2.266 189 E HA 0.378 4.728 4.350 0.001 0.000 0.268 189 E C -1.519 175.038 176.600 -0.071 0.000 0.879 189 E CA -0.912 55.569 56.400 0.134 0.000 0.762 189 E CB 2.495 32.206 29.700 0.018 0.000 1.199 189 E HN 0.390 nan 8.360 nan 0.000 0.422 190 L N 4.185 125.195 121.223 -0.354 0.000 2.281 190 L HA 0.357 4.697 4.340 0.001 0.000 0.285 190 L C -0.854 175.708 176.870 -0.512 0.000 1.074 190 L CA 0.121 54.462 54.840 -0.833 0.000 0.817 190 L CB 0.441 41.885 42.059 -1.025 0.000 1.168 190 L HN 0.385 nan 8.230 nan 0.000 0.434 191 K N 4.282 124.330 120.400 -0.588 0.000 2.206 191 K HA 0.375 4.695 4.320 0.001 0.000 0.264 191 K C -0.728 175.687 176.600 -0.308 0.000 0.967 191 K CA -0.858 55.177 56.287 -0.419 0.000 0.844 191 K CB 1.115 33.351 32.500 -0.440 0.000 1.099 191 K HN 0.602 nan 8.250 nan 0.000 0.441 192 N N 1.097 119.689 118.700 -0.180 0.000 2.515 192 N HA 0.276 5.016 4.740 0.001 0.000 0.279 192 N C -0.338 175.130 175.510 -0.070 0.000 1.164 192 N CA 0.147 53.124 53.050 -0.121 0.000 0.982 192 N CB 1.759 40.182 38.487 -0.106 0.000 1.170 192 N HN 0.562 nan 8.380 nan 0.000 0.474 193 T N -1.174 113.349 114.554 -0.053 0.000 2.886 193 T HA 0.287 4.638 4.350 0.001 0.000 0.330 193 T C -1.310 173.343 174.700 -0.078 0.000 1.488 193 T CA -0.649 61.430 62.100 -0.035 0.000 1.054 193 T CB 0.515 69.400 68.868 0.029 0.000 1.348 193 T HN 0.028 nan 8.240 nan 0.000 0.489 194 V N 4.516 124.384 119.914 -0.078 0.000 2.555 194 V HA 0.341 4.462 4.120 0.001 0.000 0.286 194 V C 0.541 176.552 176.094 -0.139 0.000 1.044 194 V CA -0.455 61.781 62.300 -0.107 0.000 1.026 194 V CB 0.799 32.580 31.823 -0.070 0.000 0.981 194 V HN 0.730 nan 8.190 nan 0.000 0.480 195 L N 5.899 127.008 121.223 -0.191 0.000 2.385 195 L HA 0.306 4.647 4.340 0.001 0.000 0.281 195 L C 0.506 177.316 176.870 -0.101 0.000 1.106 195 L CA 0.177 54.855 54.840 -0.270 0.000 0.856 195 L CB 0.030 41.799 42.059 -0.483 0.000 1.186 195 L HN 0.717 nan 8.230 nan 0.000 0.453 196 E N 1.492 121.633 120.200 -0.097 0.000 2.232 196 E HA 0.203 4.554 4.350 0.001 0.000 0.265 196 E C -0.889 175.735 176.600 0.041 0.000 1.001 196 E CA -0.964 55.403 56.400 -0.055 0.000 0.870 196 E CB 1.268 30.829 29.700 -0.231 0.000 1.175 196 E HN 0.410 nan 8.360 nan 0.000 0.407 197 D N -0.373 120.089 120.400 0.103 0.000 2.450 197 D HA 0.223 4.864 4.640 0.001 0.000 0.247 197 D C 0.753 177.097 176.300 0.074 0.000 1.162 197 D CA 1.678 55.739 54.000 0.102 0.000 0.879 197 D CB 0.271 41.138 40.800 0.111 0.000 1.163 197 D HN 0.575 nan 8.370 nan 0.000 0.472 198 G N 3.561 112.432 108.800 0.118 0.000 2.352 198 G HA2 -0.204 3.756 3.960 0.001 0.000 0.204 198 G HA3 -0.204 3.756 3.960 0.001 0.000 0.204 198 G C -0.031 174.954 174.900 0.143 0.000 1.004 198 G CA -0.083 45.080 45.100 0.104 0.000 0.648 198 G HN 0.618 nan 8.290 nan 0.000 0.491 199 D N 2.086 122.587 120.400 0.169 0.000 2.362 199 D HA 0.445 5.086 4.640 0.001 0.000 0.242 199 D C 1.057 177.564 176.300 0.345 0.000 1.132 199 D CA 0.167 54.287 54.000 0.200 0.000 0.907 199 D CB 0.601 41.477 40.800 0.128 0.000 1.195 199 D HN 0.064 nan 8.370 nan 0.000 0.429 200 M N 0.861 120.624 119.600 0.272 0.000 2.247 200 M HA 0.205 4.685 4.480 0.001 0.000 0.326 200 M C 0.337 176.828 176.300 0.318 0.000 1.134 200 M CA -0.760 54.695 55.300 0.258 0.000 1.136 200 M CB 1.059 33.772 32.600 0.187 0.000 1.454 200 M HN 0.188 nan 8.290 nan 0.000 0.467 201 V N -1.265 118.747 119.914 0.164 0.000 3.302 201 V HA 0.521 4.641 4.120 0.001 0.000 0.316 201 V C -0.335 175.861 176.094 0.170 0.000 1.111 201 V CA -1.134 61.248 62.300 0.136 0.000 1.029 201 V CB 1.250 33.045 31.823 -0.047 0.000 1.170 201 V HN 0.805 nan 8.190 nan 0.000 0.452 202 D N 0.920 121.444 120.400 0.208 0.000 2.339 202 D HA 0.248 4.888 4.640 0.001 0.000 0.256 202 D C 1.086 177.410 176.300 0.039 0.000 1.214 202 D CA 0.566 54.657 54.000 0.152 0.000 0.877 202 D CB 1.294 42.166 40.800 0.120 0.000 1.111 202 D HN 0.918 nan 8.370 nan 0.000 0.478 203 T N 0.589 115.082 114.554 -0.102 0.000 3.069 203 T HA 0.371 4.722 4.350 0.001 0.000 0.252 203 T C 1.321 175.895 174.700 -0.211 0.000 1.053 203 T CA 0.210 62.083 62.100 -0.379 0.000 0.964 203 T CB 0.272 68.317 68.868 -1.372 0.000 1.005 203 T HN 0.625 nan 8.240 nan 0.000 0.532 204 G N 0.263 109.028 108.800 -0.058 0.000 2.273 204 G HA2 -0.134 3.827 3.960 0.001 0.000 0.162 204 G HA3 -0.134 3.827 3.960 0.001 0.000 0.162 204 G C 0.110 174.895 174.900 -0.192 0.000 1.006 204 G CA -0.265 44.761 45.100 -0.124 0.000 0.704 204 G HN 0.477 nan 8.290 nan 0.000 0.487 205 Y N 1.205 121.531 120.300 0.043 0.000 2.660 205 Y HA 0.487 5.038 4.550 0.001 0.000 0.254 205 Y C 1.425 177.473 175.900 0.246 0.000 1.176 205 Y CA 0.512 58.708 58.100 0.161 0.000 1.195 205 Y CB 1.134 39.712 38.460 0.196 0.000 1.190 205 Y HN 1.016 nan 8.280 nan 0.000 0.535 206 G N 0.770 109.733 108.800 0.272 0.000 2.662 206 G HA2 0.118 4.078 3.960 0.001 0.000 0.686 206 G HA3 0.118 4.078 3.960 0.001 0.000 0.686 206 G C -0.724 174.328 174.900 0.254 0.000 1.271 206 G CA -0.705 44.516 45.100 0.201 0.000 0.816 206 G HN 0.517 nan 8.290 nan 0.000 0.608 207 A N 1.365 124.320 122.820 0.226 0.000 2.478 207 A HA 0.798 5.118 4.320 0.001 0.000 0.327 207 A C 0.597 178.346 177.584 0.275 0.000 1.431 207 A CA 0.920 53.123 52.037 0.277 0.000 1.014 207 A CB -0.565 18.619 19.000 0.306 0.000 1.143 207 A HN 1.926 nan 8.150 nan 0.000 0.532 208 M N -0.158 119.483 119.600 0.069 0.000 3.223 208 M HA 0.600 5.080 4.480 0.001 0.000 0.282 208 M C -1.485 174.710 176.300 -0.176 0.000 1.346 208 M CA -0.866 54.415 55.300 -0.033 0.000 0.789 208 M CB 1.315 33.737 32.600 -0.297 0.000 1.724 208 M HN 0.193 nan 8.290 nan 0.000 0.447 209 D N 0.400 120.735 120.400 -0.110 0.000 2.505 209 D HA 0.395 5.035 4.640 0.001 0.000 0.242 209 D C -0.092 176.155 176.300 -0.089 0.000 1.136 209 D CA -0.411 53.568 54.000 -0.036 0.000 0.954 209 D CB -0.079 40.780 40.800 0.099 0.000 1.002 209 D HN 0.548 nan 8.370 nan 0.000 0.512 210 F N 1.014 120.995 119.950 0.052 0.000 2.250 210 F HA -0.213 4.315 4.527 0.001 0.000 0.301 210 F C 2.700 178.510 175.800 0.016 0.000 1.077 210 F CA 1.174 59.188 58.000 0.023 0.000 1.348 210 F CB -0.268 38.730 39.000 -0.003 0.000 1.040 210 F HN 0.341 nan 8.300 nan 0.000 0.509 211 S N -0.969 114.854 115.700 0.206 0.000 2.423 211 S HA -0.159 4.312 4.470 0.001 0.000 0.231 211 S C 1.857 176.504 174.600 0.079 0.000 1.014 211 S CA 1.392 59.665 58.200 0.121 0.000 0.965 211 S CB -1.015 62.241 63.200 0.094 0.000 0.785 211 S HN 0.475 nan 8.310 nan 0.000 0.495 212 T N -2.296 112.298 114.554 0.066 0.000 3.001 212 T HA 0.387 4.738 4.350 0.001 0.000 0.251 212 T C 1.163 175.881 174.700 0.031 0.000 1.040 212 T CA -0.181 61.946 62.100 0.045 0.000 0.985 212 T CB 0.024 68.920 68.868 0.047 0.000 1.011 212 T HN 0.232 nan 8.240 nan 0.000 0.509 213 L N 0.414 121.650 121.223 0.021 0.000 2.701 213 L HA 0.481 4.822 4.340 0.001 0.000 0.238 213 L C 0.402 177.278 176.870 0.010 0.000 1.106 213 L CA 0.531 55.370 54.840 -0.002 0.000 0.898 213 L CB 0.190 42.221 42.059 -0.047 0.000 1.188 213 L HN 0.309 nan 8.230 nan 0.000 0.508 214 Q N -0.337 119.490 119.800 0.046 0.000 2.413 214 Q HA 0.167 4.508 4.340 0.001 0.000 0.258 214 Q C -0.151 175.869 176.000 0.033 0.000 1.037 214 Q CA -0.355 55.476 55.803 0.047 0.000 0.764 214 Q CB 1.349 30.144 28.738 0.096 0.000 1.217 214 Q HN 0.003 nan 8.270 nan 0.000 0.490 215 D N 0.613 121.020 120.400 0.011 0.000 2.264 215 D HA -0.114 4.526 4.640 0.001 0.000 0.208 215 D C 1.295 177.592 176.300 -0.004 0.000 0.966 215 D CA 1.220 55.223 54.000 0.005 0.000 0.864 215 D CB 0.290 41.087 40.800 -0.004 0.000 0.933 215 D HN 0.425 nan 8.370 nan 0.000 0.499 216 T N 0.368 114.912 114.554 -0.017 0.000 2.708 216 T HA -0.141 4.209 4.350 0.001 0.000 0.266 216 T C 0.945 175.627 174.700 -0.029 0.000 1.037 216 T CA 1.236 63.311 62.100 -0.040 0.000 1.146 216 T CB -0.024 68.801 68.868 -0.073 0.000 0.865 216 T HN 0.204 nan 8.240 nan 0.000 0.435 217 K N -1.205 119.189 120.400 -0.009 0.000 3.339 217 K HA -0.141 4.179 4.320 0.001 0.000 0.299 217 K C -0.193 176.417 176.600 0.016 0.000 1.270 217 K CA 0.510 56.822 56.287 0.042 0.000 0.875 217 K CB -2.341 30.204 32.500 0.075 0.000 1.298 217 K HN 0.480 nan 8.250 nan 0.000 0.485 218 C N -0.393 118.796 119.300 -0.185 0.000 3.680 218 C HA 0.145 4.606 4.460 0.001 0.000 0.301 218 C C 1.244 175.909 174.990 -0.541 0.000 2.566 218 C CA -0.804 57.887 59.018 -0.544 0.000 1.614 218 C CB 0.080 27.539 27.740 -0.468 0.000 3.388 218 C HN 0.291 nan 8.230 nan 0.000 0.384 219 E N 1.599 121.565 120.200 -0.390 0.000 2.442 219 E HA 0.114 4.464 4.350 0.001 0.000 0.195 219 E C 0.801 176.969 176.600 -0.721 0.000 1.030 219 E CA 0.843 56.948 56.400 -0.492 0.000 0.869 219 E CB 0.493 30.076 29.700 -0.195 0.000 0.857 219 E HN 0.693 nan 8.360 nan 0.000 0.505 220 V N -2.851 116.705 119.914 -0.596 0.000 3.206 220 V HA 0.535 4.656 4.120 0.001 0.000 0.305 220 V C -3.020 172.929 176.094 -0.242 0.000 1.257 220 V CA -3.038 58.880 62.300 -0.636 0.000 1.057 220 V CB 1.758 33.021 31.823 -0.934 0.000 1.075 220 V HN -0.298 nan 8.190 nan 0.000 0.443 221 P HA 0.194 nan 4.420 nan 0.000 0.268 221 P C 0.860 178.132 177.300 -0.048 0.000 1.208 221 P CA -0.130 62.978 63.100 0.013 0.000 0.777 221 P CB 0.429 32.123 31.700 -0.011 0.000 0.875 222 L N 2.419 123.573 121.223 -0.113 0.000 2.085 222 L HA -0.250 4.090 4.340 0.001 0.000 0.218 222 L C 1.724 178.588 176.870 -0.011 0.000 1.080 222 L CA 2.255 57.021 54.840 -0.124 0.000 0.776 222 L CB -1.464 40.490 42.059 -0.176 0.000 0.891 222 L HN 0.513 nan 8.230 nan 0.000 0.437 223 D N -1.420 118.973 120.400 -0.010 0.000 2.363 223 D HA -0.124 4.517 4.640 0.001 0.000 0.220 223 D C 1.548 177.890 176.300 0.070 0.000 0.994 223 D CA 1.141 55.207 54.000 0.110 0.000 0.890 223 D CB -0.290 40.635 40.800 0.209 0.000 0.906 223 D HN 0.623 nan 8.370 nan 0.000 0.530 224 I N -3.378 117.164 120.570 -0.047 0.000 4.442 224 I HA 0.263 4.434 4.170 0.001 0.000 0.331 224 I C 1.897 177.888 176.117 -0.209 0.000 1.364 224 I CA -0.647 60.573 61.300 -0.134 0.000 1.207 224 I CB -0.001 37.784 38.000 -0.359 0.000 1.298 224 I HN 0.016 nan 8.210 nan 0.000 0.463 225 C N 1.763 120.973 119.300 -0.150 0.000 2.403 225 C HA -0.123 4.337 4.460 0.001 0.000 0.277 225 C C 1.925 176.931 174.990 0.025 0.000 1.248 225 C CA 1.459 60.415 59.018 -0.104 0.000 1.762 225 C CB -0.715 27.032 27.740 0.013 0.000 2.014 225 C HN 0.647 nan 8.230 nan 0.000 0.486 226 Q N 1.020 120.854 119.800 0.056 0.000 2.182 226 Q HA 0.372 4.713 4.340 0.001 0.000 0.270 226 Q C -0.007 176.056 176.000 0.106 0.000 0.861 226 Q CA 0.106 55.964 55.803 0.091 0.000 1.098 226 Q CB 0.984 29.763 28.738 0.068 0.000 1.188 226 Q HN 0.803 nan 8.270 nan 0.000 0.464 227 S N -0.785 115.000 115.700 0.142 0.000 2.911 227 S HA 0.658 5.129 4.470 0.001 0.000 0.319 227 S C -0.198 174.514 174.600 0.186 0.000 1.154 227 S CA -0.679 57.599 58.200 0.130 0.000 0.857 227 S CB 1.485 64.751 63.200 0.110 0.000 1.279 227 S HN 0.166 nan 8.310 nan 0.000 0.593 228 I N 1.001 121.640 120.570 0.114 0.000 2.447 228 I HA 0.341 4.511 4.170 0.001 0.000 0.287 228 I C -1.091 175.085 176.117 0.099 0.000 1.023 228 I CA -0.464 60.858 61.300 0.038 0.000 1.083 228 I CB 1.424 39.293 38.000 -0.219 0.000 1.245 228 I HN 0.496 nan 8.210 nan 0.000 0.434 229 C N 6.180 125.618 119.300 0.230 0.000 2.347 229 C HA 0.419 4.880 4.460 0.001 0.000 0.353 229 C C 0.433 175.571 174.990 0.247 0.000 1.273 229 C CA -0.547 58.642 59.018 0.285 0.000 1.861 229 C CB -0.054 27.938 27.740 0.420 0.000 2.420 229 C HN 0.684 nan 8.230 nan 0.000 0.542 230 K N 1.898 122.484 120.400 0.309 0.000 2.340 230 K HA 0.610 4.930 4.320 0.001 0.000 0.244 230 K C -1.339 175.545 176.600 0.473 0.000 0.973 230 K CA -0.573 55.889 56.287 0.292 0.000 0.828 230 K CB 1.990 34.551 32.500 0.102 0.000 1.226 230 K HN 0.609 nan 8.250 nan 0.000 0.437 231 Y N 1.358 121.782 120.300 0.207 0.000 2.406 231 Y HA 0.350 4.900 4.550 0.001 0.000 0.340 231 Y C -2.760 173.183 175.900 0.072 0.000 0.975 231 Y CA -2.618 55.617 58.100 0.225 0.000 1.056 231 Y CB 1.782 40.363 38.460 0.201 0.000 1.210 231 Y HN 0.402 nan 8.280 nan 0.000 0.448 232 P HA -0.025 nan 4.420 nan 0.000 0.262 232 P C -0.683 176.163 177.300 -0.756 0.000 1.182 232 P CA 0.422 63.081 63.100 -0.735 0.000 0.761 232 P CB 0.500 31.524 31.700 -1.127 0.000 0.795 233 D N 2.793 122.921 120.400 -0.453 0.000 2.608 233 D HA 0.016 4.657 4.640 0.001 0.000 0.224 233 D C 0.510 176.677 176.300 -0.221 0.000 1.123 233 D CA -0.002 53.853 54.000 -0.241 0.000 1.030 233 D CB -0.425 40.283 40.800 -0.152 0.000 1.093 233 D HN 0.320 nan 8.370 nan 0.000 0.497 234 Y N 0.803 121.049 120.300 -0.089 0.000 2.274 234 Y HA -0.152 4.398 4.550 0.001 0.000 0.290 234 Y C 2.190 178.071 175.900 -0.031 0.000 1.145 234 Y CA 0.718 58.779 58.100 -0.066 0.000 1.203 234 Y CB 0.045 38.472 38.460 -0.056 0.000 0.984 234 Y HN 0.310 nan 8.280 nan 0.000 0.533 235 L N -0.541 120.759 121.223 0.128 0.000 2.005 235 L HA -0.234 4.106 4.340 0.001 0.000 0.207 235 L C 2.627 179.519 176.870 0.035 0.000 1.072 235 L CA 1.647 56.536 54.840 0.081 0.000 0.744 235 L CB -0.627 41.478 42.059 0.076 0.000 0.895 235 L HN 0.184 nan 8.230 nan 0.000 0.433 236 Q N 0.256 120.058 119.800 0.003 0.000 2.135 236 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 236 Q C 2.115 178.103 176.000 -0.020 0.000 0.981 236 Q CA 1.954 57.746 55.803 -0.019 0.000 0.856 236 Q CB -0.247 28.461 28.738 -0.050 0.000 0.902 236 Q HN 0.404 nan 8.270 nan 0.000 0.425 237 M N -0.517 119.064 119.600 -0.032 0.000 2.200 237 M HA -0.079 4.402 4.480 0.001 0.000 0.265 237 M C 2.171 178.476 176.300 0.009 0.000 1.066 237 M CA 1.365 56.648 55.300 -0.028 0.000 1.127 237 M CB 0.024 32.584 32.600 -0.066 0.000 1.379 237 M HN 0.207 nan 8.290 nan 0.000 0.420 238 S N 0.676 116.392 115.700 0.028 0.000 2.382 238 S HA -0.087 4.384 4.470 0.001 0.000 0.228 238 S C 2.041 176.650 174.600 0.015 0.000 1.027 238 S CA 1.298 59.517 58.200 0.031 0.000 0.991 238 S CB -0.304 62.920 63.200 0.040 0.000 0.823 238 S HN 0.555 nan 8.310 nan 0.000 0.469 239 A N 1.436 124.265 122.820 0.015 0.000 1.902 239 A HA -0.051 4.269 4.320 0.001 0.000 0.217 239 A C 0.950 178.540 177.584 0.011 0.000 1.181 239 A CA 0.811 52.854 52.037 0.009 0.000 0.623 239 A CB -0.841 18.164 19.000 0.009 0.000 0.818 239 A HN 0.453 nan 8.150 nan 0.000 0.443 240 D N 0.378 120.789 120.400 0.018 0.000 3.264 240 D HA -0.064 4.577 4.640 0.001 0.000 0.213 240 D C -0.835 175.490 176.300 0.041 0.000 1.112 240 D CA 0.080 54.102 54.000 0.037 0.000 0.777 240 D CB 0.733 41.566 40.800 0.056 0.000 1.156 240 D HN 0.231 nan 8.370 nan 0.000 0.556 241 P HA -0.192 nan 4.420 nan 0.000 0.217 241 P C 0.907 178.173 177.300 -0.056 0.000 1.150 241 P CA 1.338 64.399 63.100 -0.065 0.000 0.832 241 P CB -0.007 31.571 31.700 -0.205 0.000 0.787 242 Y N 0.097 120.511 120.300 0.190 0.000 2.365 242 Y HA 0.211 4.761 4.550 0.001 0.000 0.293 242 Y C 1.949 178.022 175.900 0.289 0.000 1.119 242 Y CA 1.075 59.332 58.100 0.263 0.000 1.203 242 Y CB -0.691 37.890 38.460 0.201 0.000 1.026 242 Y HN 0.056 nan 8.280 nan 0.000 0.549 243 G N 0.486 109.474 108.800 0.312 0.000 2.198 243 G HA2 -0.260 3.701 3.960 0.001 0.000 0.257 243 G HA3 -0.260 3.701 3.960 0.001 0.000 0.257 243 G C 0.275 175.328 174.900 0.254 0.000 1.042 243 G CA 0.512 45.753 45.100 0.235 0.000 0.791 243 G HN 0.373 nan 8.290 nan 0.000 0.502 244 D N -0.053 120.492 120.400 0.243 0.000 2.348 244 D HA 0.098 4.739 4.640 0.001 0.000 0.211 244 D C 2.291 178.555 176.300 -0.060 0.000 0.998 244 D CA 0.954 55.055 54.000 0.168 0.000 0.873 244 D CB 0.130 41.077 40.800 0.245 0.000 0.925 244 D HN 0.394 nan 8.370 nan 0.000 0.524 245 S N 0.443 116.114 115.700 -0.049 0.000 2.345 245 S HA -0.019 4.451 4.470 0.001 0.000 0.219 245 S C 1.136 175.623 174.600 -0.189 0.000 1.031 245 S CA 0.741 58.866 58.200 -0.126 0.000 0.984 245 S CB 0.028 63.183 63.200 -0.075 0.000 0.874 245 S HN 0.398 nan 8.310 nan 0.000 0.451 246 M N -0.192 119.328 119.600 -0.133 0.000 2.277 246 M HA 0.508 4.988 4.480 0.001 0.000 0.282 246 M C -1.337 174.974 176.300 0.018 0.000 1.074 246 M CA -0.729 54.491 55.300 -0.134 0.000 0.954 246 M CB 1.446 34.030 32.600 -0.027 0.000 1.672 246 M HN 0.062 nan 8.290 nan 0.000 0.471 247 F N 1.320 121.376 119.950 0.177 0.000 2.735 247 F HA 0.715 5.242 4.527 0.001 0.000 0.304 247 F C -1.147 174.831 175.800 0.296 0.000 1.119 247 F CA -1.613 56.502 58.000 0.191 0.000 1.280 247 F CB -0.145 38.956 39.000 0.167 0.000 0.994 247 F HN 0.541 nan 8.300 nan 0.000 0.520 248 F N 1.597 121.729 119.950 0.303 0.000 2.688 248 F HA 0.466 4.994 4.527 0.001 0.000 0.332 248 F C -1.856 174.016 175.800 0.121 0.000 1.131 248 F CA -1.586 56.535 58.000 0.202 0.000 1.113 248 F CB 0.591 39.740 39.000 0.248 0.000 1.359 248 F HN 0.188 nan 8.300 nan 0.000 0.551 249 C N 7.874 126.899 119.300 -0.457 0.000 2.608 249 C HA 0.913 5.373 4.460 0.001 0.000 0.325 249 C C -2.279 172.449 174.990 -0.436 0.000 1.147 249 C CA -0.536 58.323 59.018 -0.266 0.000 1.359 249 C CB 0.622 28.352 27.740 -0.017 0.000 1.912 249 C HN 0.766 nan 8.230 nan 0.000 0.466 250 L N 6.137 127.178 121.223 -0.303 0.000 2.439 250 L HA 0.769 5.110 4.340 0.001 0.000 0.270 250 L C -0.189 176.603 176.870 -0.130 0.000 0.972 250 L CA -0.071 54.595 54.840 -0.290 0.000 0.836 250 L CB 1.795 43.638 42.059 -0.361 0.000 1.255 250 L HN 0.939 nan 8.230 nan 0.000 0.404 251 R N 2.253 122.670 120.500 -0.139 0.000 2.698 251 R HA 0.934 5.275 4.340 0.001 0.000 0.275 251 R C -0.942 175.312 176.300 -0.077 0.000 1.001 251 R CA -1.072 54.985 56.100 -0.071 0.000 0.896 251 R CB 2.266 32.508 30.300 -0.098 0.000 1.218 251 R HN 0.452 nan 8.270 nan 0.000 0.462 252 R N 1.486 121.969 120.500 -0.029 0.000 2.585 252 R HA 0.197 4.538 4.340 0.001 0.000 0.288 252 R C -1.457 174.860 176.300 0.028 0.000 1.194 252 R CA -0.328 55.758 56.100 -0.023 0.000 1.006 252 R CB 1.366 31.630 30.300 -0.060 0.000 1.229 252 R HN 0.989 nan 8.270 nan 0.000 0.412 253 E N 3.751 123.980 120.200 0.049 0.000 2.423 253 E HA 0.500 4.850 4.350 0.001 0.000 0.269 253 E C -1.476 175.161 176.600 0.061 0.000 0.948 253 E CA -1.085 55.362 56.400 0.078 0.000 0.802 253 E CB 2.538 32.309 29.700 0.117 0.000 1.339 253 E HN 0.611 nan 8.360 nan 0.000 0.445 254 Q N 0.232 120.074 119.800 0.071 0.000 2.617 254 Q HA 0.501 4.841 4.340 0.001 0.000 0.270 254 Q C -1.537 174.511 176.000 0.080 0.000 0.967 254 Q CA -1.153 54.692 55.803 0.070 0.000 0.887 254 Q CB 1.330 30.112 28.738 0.072 0.000 1.516 254 Q HN 0.603 nan 8.270 nan 0.000 0.395 255 L N -1.352 119.922 121.223 0.085 0.000 3.020 255 L HA 0.871 5.211 4.340 0.001 0.000 0.273 255 L C -1.667 175.275 176.870 0.120 0.000 1.018 255 L CA -0.913 53.962 54.840 0.059 0.000 0.950 255 L CB 0.424 42.471 42.059 -0.019 0.000 1.510 255 L HN 0.995 nan 8.230 nan 0.000 0.404 256 F N -1.066 118.878 119.950 -0.010 0.000 2.685 256 F HA 0.960 5.487 4.527 0.001 0.000 0.315 256 F C -0.491 175.291 175.800 -0.029 0.000 1.126 256 F CA -0.813 57.174 58.000 -0.021 0.000 0.950 256 F CB 1.295 40.284 39.000 -0.020 0.000 1.360 256 F HN 0.863 nan 8.300 nan 0.000 0.469 257 A N 2.467 125.330 122.820 0.072 0.000 2.415 257 A HA 0.493 4.814 4.320 0.001 0.000 0.309 257 A C 1.096 178.724 177.584 0.073 0.000 1.356 257 A CA -0.393 51.650 52.037 0.010 0.000 0.998 257 A CB 0.129 19.236 19.000 0.179 0.000 1.145 257 A HN 0.880 nan 8.150 nan 0.000 0.545 258 R N 1.928 122.261 120.500 -0.279 0.000 2.082 258 R HA -0.031 4.309 4.340 0.001 0.000 0.228 258 R C -0.012 175.988 176.300 -0.500 0.000 1.140 258 R CA 1.846 57.813 56.100 -0.222 0.000 0.920 258 R CB -0.398 29.757 30.300 -0.241 0.000 0.828 258 R HN 0.819 nan 8.270 nan 0.000 0.430 259 H N -2.241 116.618 119.070 -0.351 0.000 2.731 259 H HA 0.413 4.970 4.556 0.001 0.000 0.368 259 H C -1.074 173.983 175.328 -0.451 0.000 1.168 259 H CA -0.634 55.063 56.048 -0.584 0.000 1.181 259 H CB 1.500 30.754 29.762 -0.846 0.000 1.743 259 H HN 0.050 nan 8.280 nan 0.000 0.547 260 F N 1.749 121.389 119.950 -0.516 0.000 2.426 260 F HA 0.281 4.808 4.527 0.001 0.000 0.348 260 F C -0.628 175.047 175.800 -0.208 0.000 1.124 260 F CA -0.812 56.998 58.000 -0.316 0.000 1.008 260 F CB 1.298 40.224 39.000 -0.124 0.000 1.139 260 F HN 0.201 nan 8.300 nan 0.000 0.452 261 W N 1.314 122.836 121.300 0.371 0.000 2.929 261 W HA 0.345 5.006 4.660 0.001 0.000 0.345 261 W C -0.695 175.998 176.519 0.290 0.000 1.151 261 W CA -1.219 56.304 57.345 0.297 0.000 1.111 261 W CB 1.323 30.938 29.460 0.258 0.000 1.449 261 W HN 0.416 nan 8.180 nan 0.000 0.572 262 N N 0.525 119.496 118.700 0.451 0.000 2.477 262 N HA 0.451 5.191 4.740 0.001 0.000 0.284 262 N C -0.540 175.045 175.510 0.126 0.000 1.182 262 N CA -0.697 52.454 53.050 0.168 0.000 0.949 262 N CB 1.151 39.695 38.487 0.095 0.000 1.204 262 N HN -0.081 nan 8.380 nan 0.000 0.526 263 R N 1.026 121.530 120.500 0.007 0.000 2.445 263 R HA 0.434 4.775 4.340 0.001 0.000 0.308 263 R C -0.746 175.536 176.300 -0.031 0.000 0.961 263 R CA -0.654 55.450 56.100 0.007 0.000 0.862 263 R CB 1.362 31.658 30.300 -0.006 0.000 1.144 263 R HN 0.575 nan 8.270 nan 0.000 0.447 264 A N 1.266 124.068 122.820 -0.030 0.000 2.407 264 A HA 0.643 4.964 4.320 0.001 0.000 0.248 264 A C 0.576 178.133 177.584 -0.045 0.000 1.082 264 A CA 0.766 52.781 52.037 -0.037 0.000 0.785 264 A CB 0.355 19.331 19.000 -0.039 0.000 1.020 264 A HN 0.853 nan 8.150 nan 0.000 0.489 265 G N -0.185 108.589 108.800 -0.044 0.000 2.361 265 G HA2 0.486 4.447 3.960 0.001 0.000 0.331 265 G HA3 0.486 4.447 3.960 0.001 0.000 0.331 265 G C -0.404 174.472 174.900 -0.041 0.000 1.324 265 G CA -0.179 44.895 45.100 -0.042 0.000 0.984 265 G HN 1.797 nan 8.290 nan 0.000 0.586 266 T N -0.776 113.756 114.554 -0.036 0.000 2.837 266 T HA 0.615 4.966 4.350 0.001 0.000 0.285 266 T C 0.728 175.407 174.700 -0.035 0.000 0.984 266 T CA -0.771 61.309 62.100 -0.032 0.000 1.049 266 T CB 1.249 70.102 68.868 -0.025 0.000 0.947 266 T HN 0.576 nan 8.240 nan 0.000 0.472 267 M N 3.439 123.016 119.600 -0.037 0.000 2.307 267 M HA 0.198 4.678 4.480 0.001 0.000 0.346 267 M C 1.643 177.927 176.300 -0.027 0.000 1.552 267 M CA -0.279 54.997 55.300 -0.040 0.000 1.116 267 M CB 0.050 32.623 32.600 -0.045 0.000 1.889 267 M HN 1.076 nan 8.290 nan 0.000 0.460 268 G N 3.183 111.967 108.800 -0.027 0.000 2.402 268 G HA2 -0.089 3.871 3.960 0.001 0.000 0.216 268 G HA3 -0.089 3.871 3.960 0.001 0.000 0.216 268 G C 0.249 175.140 174.900 -0.014 0.000 1.162 268 G CA 0.277 45.365 45.100 -0.019 0.000 0.777 268 G HN 0.611 nan 8.290 nan 0.000 0.539 269 D N 1.412 121.803 120.400 -0.015 0.000 2.347 269 D HA 0.302 4.943 4.640 0.001 0.000 0.235 269 D C -0.175 176.124 176.300 -0.001 0.000 1.149 269 D CA 0.160 54.156 54.000 -0.007 0.000 0.850 269 D CB 1.203 41.998 40.800 -0.008 0.000 1.061 269 D HN -0.078 nan 8.370 nan 0.000 0.487 270 T N 1.432 115.992 114.554 0.009 0.000 2.799 270 T HA 0.120 4.470 4.350 0.001 0.000 0.296 270 T C 0.876 175.602 174.700 0.044 0.000 0.947 270 T CA -0.628 61.486 62.100 0.023 0.000 1.141 270 T CB 0.663 69.548 68.868 0.029 0.000 0.891 270 T HN 0.059 nan 8.240 nan 0.000 0.533 271 V N 6.977 126.921 119.914 0.050 0.000 2.539 271 V HA 0.029 4.150 4.120 0.001 0.000 0.300 271 V C -1.694 174.503 176.094 0.172 0.000 1.019 271 V CA -1.271 61.083 62.300 0.090 0.000 1.160 271 V CB -0.856 30.999 31.823 0.054 0.000 0.901 271 V HN 0.735 nan 8.190 nan 0.000 0.481 272 P HA 0.031 nan 4.420 nan 0.000 0.264 272 P C 0.759 178.145 177.300 0.143 0.000 1.183 272 P CA 0.048 63.213 63.100 0.109 0.000 0.763 272 P CB 0.432 32.175 31.700 0.072 0.000 0.807 273 Q N 1.465 121.274 119.800 0.015 0.000 2.291 273 Q HA -0.093 4.248 4.340 0.001 0.000 0.205 273 Q C 1.506 177.347 176.000 -0.265 0.000 0.970 273 Q CA 1.503 57.172 55.803 -0.223 0.000 0.876 273 Q CB -0.262 28.369 28.738 -0.177 0.000 0.935 273 Q HN 0.590 nan 8.270 nan 0.000 0.455 274 S N -0.804 114.842 115.700 -0.090 0.000 2.603 274 S HA 0.055 4.526 4.470 0.001 0.000 0.229 274 S C 1.529 176.125 174.600 -0.007 0.000 0.972 274 S CA 0.188 58.352 58.200 -0.060 0.000 0.935 274 S CB -0.113 63.072 63.200 -0.025 0.000 0.769 274 S HN 0.284 nan 8.310 nan 0.000 0.536 275 L N 0.037 121.298 121.223 0.063 0.000 2.693 275 L HA 0.413 4.754 4.340 0.001 0.000 0.235 275 L C 0.162 177.202 176.870 0.284 0.000 1.127 275 L CA -0.321 54.620 54.840 0.169 0.000 0.914 275 L CB 0.006 42.184 42.059 0.199 0.000 1.193 275 L HN 0.612 nan 8.230 nan 0.000 0.502 276 Y N -3.034 117.275 120.300 0.016 0.000 2.725 276 Y HA 0.613 5.164 4.550 0.001 0.000 0.333 276 Y C -1.043 174.865 175.900 0.014 0.000 1.242 276 Y CA -1.559 56.552 58.100 0.017 0.000 1.059 276 Y CB 0.982 39.456 38.460 0.023 0.000 1.306 276 Y HN -0.287 nan 8.280 nan 0.000 0.454 277 I N 2.604 123.275 120.570 0.169 0.000 2.377 277 I HA 0.336 4.507 4.170 0.001 0.000 0.293 277 I C -0.388 175.831 176.117 0.169 0.000 0.987 277 I CA -1.063 60.262 61.300 0.043 0.000 1.185 277 I CB 1.819 39.848 38.000 0.048 0.000 1.341 277 I HN 0.562 nan 8.210 nan 0.000 0.455 278 K N 3.228 123.668 120.400 0.066 0.000 2.440 278 K HA 0.275 4.595 4.320 0.001 0.000 0.270 278 K C 0.414 177.081 176.600 0.112 0.000 0.980 278 K CA -0.011 56.362 56.287 0.144 0.000 0.953 278 K CB 0.698 33.238 32.500 0.066 0.000 0.925 278 K HN 0.847 nan 8.250 nan 0.000 0.497 279 G N 0.050 108.917 108.800 0.111 0.000 3.119 279 G HA2 0.491 4.452 3.960 0.001 0.000 0.206 279 G HA3 0.491 4.452 3.960 0.001 0.000 0.206 279 G C -0.955 173.979 174.900 0.057 0.000 1.313 279 G CA -0.499 44.645 45.100 0.074 0.000 1.010 279 G HN 0.581 nan 8.290 nan 0.000 0.578 280 T N -3.253 111.327 114.554 0.044 0.000 2.893 280 T HA 0.711 5.061 4.350 0.001 0.000 0.291 280 T C 0.549 175.267 174.700 0.031 0.000 1.028 280 T CA 0.512 62.633 62.100 0.034 0.000 0.995 280 T CB 1.397 70.281 68.868 0.027 0.000 1.051 280 T HN 2.426 nan 8.240 nan 0.000 0.470 281 G N 2.796 111.613 108.800 0.027 0.000 2.542 281 G HA2 -0.261 3.699 3.960 0.001 0.000 0.235 281 G HA3 -0.261 3.699 3.960 0.001 0.000 0.235 281 G C 0.860 175.774 174.900 0.024 0.000 1.286 281 G CA 0.517 45.631 45.100 0.023 0.000 0.904 281 G HN 1.709 nan 8.290 nan 0.000 0.577 282 M N -0.411 119.201 119.600 0.020 0.000 2.331 282 M HA 0.035 4.515 4.480 0.001 0.000 0.260 282 M C 2.002 178.314 176.300 0.021 0.000 1.072 282 M CA 2.621 57.932 55.300 0.018 0.000 1.065 282 M CB -0.219 32.391 32.600 0.016 0.000 1.392 282 M HN 0.417 nan 8.290 nan 0.000 0.427 283 R N 0.272 120.789 120.500 0.028 0.000 2.310 283 R HA 0.259 4.600 4.340 0.001 0.000 0.202 283 R C 1.927 178.261 176.300 0.057 0.000 0.933 283 R CA 0.456 56.577 56.100 0.035 0.000 1.054 283 R CB 0.000 30.323 30.300 0.038 0.000 0.985 283 R HN 0.603 nan 8.270 nan 0.000 0.489 284 A N -0.202 122.651 122.820 0.056 0.000 2.021 284 A HA 0.038 4.358 4.320 0.001 0.000 0.216 284 A C 0.894 178.543 177.584 0.109 0.000 1.163 284 A CA 0.611 52.694 52.037 0.077 0.000 0.676 284 A CB 0.328 19.359 19.000 0.053 0.000 0.818 284 A HN 0.140 nan 8.150 nan 0.000 0.453 285 S N 0.847 116.590 115.700 0.072 0.000 2.561 285 S HA 0.544 5.015 4.470 0.001 0.000 0.303 285 S C -2.909 171.680 174.600 -0.019 0.000 1.110 285 S CA -1.627 56.611 58.200 0.064 0.000 1.034 285 S CB 1.202 64.430 63.200 0.046 0.000 1.010 285 S HN 0.230 nan 8.310 nan 0.000 0.482 286 P HA 0.193 nan 4.420 nan 0.000 0.266 286 P C 0.536 177.774 177.300 -0.103 0.000 1.193 286 P CA -0.059 62.917 63.100 -0.207 0.000 0.770 286 P CB 0.274 31.756 31.700 -0.365 0.000 0.836 287 G N 1.076 109.825 108.800 -0.084 0.000 2.714 287 G HA2 0.186 4.146 3.960 0.001 0.000 0.197 287 G HA3 0.186 4.146 3.960 0.001 0.000 0.197 287 G C -0.292 174.553 174.900 -0.092 0.000 1.449 287 G CA -0.464 44.599 45.100 -0.062 0.000 1.065 287 G HN 0.598 nan 8.290 nan 0.000 0.575 288 S N -1.646 113.994 115.700 -0.101 0.000 2.544 288 S HA 0.117 4.588 4.470 0.001 0.000 0.290 288 S C 0.376 174.777 174.600 -0.332 0.000 1.276 288 S CA -0.422 57.672 58.200 -0.176 0.000 1.075 288 S CB -0.263 62.842 63.200 -0.158 0.000 0.849 288 S HN 0.484 nan 8.310 nan 0.000 0.494 289 C N 5.603 124.688 119.300 -0.358 0.000 2.849 289 C HA 0.337 4.798 4.460 0.001 0.000 0.271 289 C C -0.249 174.433 174.990 -0.513 0.000 1.519 289 C CA -0.622 58.088 59.018 -0.514 0.000 1.783 289 C CB -0.992 26.663 27.740 -0.142 0.000 2.869 289 C HN 0.676 nan 8.230 nan 0.000 0.527 290 V N 1.996 121.608 119.914 -0.503 0.000 2.294 290 V HA 0.367 4.488 4.120 0.001 0.000 0.272 290 V C -0.670 175.260 176.094 -0.272 0.000 1.027 290 V CA -0.326 61.819 62.300 -0.260 0.000 0.823 290 V CB -0.266 31.483 31.823 -0.123 0.000 1.030 290 V HN 0.417 nan 8.190 nan 0.000 0.457 291 Y N 2.268 122.590 120.300 0.037 0.000 2.387 291 Y HA 0.721 5.271 4.550 0.001 0.000 0.330 291 Y C 0.647 176.581 175.900 0.058 0.000 1.133 291 Y CA -0.725 57.410 58.100 0.059 0.000 1.152 291 Y CB 2.108 40.574 38.460 0.009 0.000 1.215 291 Y HN 0.639 nan 8.280 nan 0.000 0.466 292 S N 2.149 118.023 115.700 0.291 0.000 2.603 292 S HA 0.586 5.057 4.470 0.001 0.000 0.274 292 S C -3.396 171.323 174.600 0.200 0.000 1.168 292 S CA -1.493 56.832 58.200 0.208 0.000 0.963 292 S CB 2.351 65.715 63.200 0.273 0.000 1.078 292 S HN 0.367 nan 8.310 nan 0.000 0.477 293 P HA 0.383 nan 4.420 nan 0.000 0.290 293 P C -0.224 176.994 177.300 -0.137 0.000 1.275 293 P CA -0.469 62.587 63.100 -0.073 0.000 0.841 293 P CB 1.381 32.997 31.700 -0.140 0.000 1.042 294 S N 3.191 118.746 115.700 -0.243 0.000 2.510 294 S HA 0.287 4.758 4.470 0.001 0.000 0.279 294 S C -1.856 172.595 174.600 -0.247 0.000 1.284 294 S CA -0.859 57.249 58.200 -0.153 0.000 1.059 294 S CB -0.415 62.674 63.200 -0.185 0.000 0.901 294 S HN 0.335 nan 8.310 nan 0.000 0.491 295 P HA 0.382 nan 4.420 nan 0.000 0.286 295 P C -0.426 176.680 177.300 -0.322 0.000 1.293 295 P CA -0.512 62.401 63.100 -0.313 0.000 0.770 295 P CB 0.646 32.193 31.700 -0.256 0.000 1.206 296 S N -2.058 113.395 115.700 -0.410 0.000 2.674 296 S HA 0.439 4.910 4.470 0.001 0.000 0.321 296 S C -0.672 173.730 174.600 -0.329 0.000 0.934 296 S CA -0.547 57.420 58.200 -0.388 0.000 0.827 296 S CB -0.540 62.292 63.200 -0.613 0.000 1.041 296 S HN 0.686 nan 8.310 nan 0.000 0.470 297 G N 2.590 111.367 108.800 -0.039 0.000 2.415 297 G HA2 0.508 4.469 3.960 0.001 0.000 0.269 297 G HA3 0.508 4.469 3.960 0.001 0.000 0.269 297 G C 0.617 175.626 174.900 0.180 0.000 1.209 297 G CA 0.190 45.344 45.100 0.090 0.000 0.835 297 G HN 0.843 nan 8.290 nan 0.000 0.534 298 S N 0.982 116.841 115.700 0.265 0.000 2.380 298 S HA 0.276 4.746 4.470 0.001 0.000 0.168 298 S C 1.047 175.745 174.600 0.163 0.000 1.296 298 S CA -0.499 57.884 58.200 0.306 0.000 2.072 298 S CB -0.297 63.036 63.200 0.222 0.000 0.456 298 S HN 0.407 nan 8.310 nan 0.000 0.388 299 I N 1.746 122.381 120.570 0.108 0.000 2.588 299 I HA 0.237 4.407 4.170 0.001 0.000 0.283 299 I C -0.169 175.990 176.117 0.069 0.000 1.119 299 I CA -0.174 61.169 61.300 0.073 0.000 1.419 299 I CB 1.263 39.289 38.000 0.043 0.000 1.394 299 I HN 0.166 nan 8.210 nan 0.000 0.562 300 V N 6.325 126.277 119.914 0.063 0.000 2.370 300 V HA 0.537 4.658 4.120 0.001 0.000 0.283 300 V C -0.132 175.986 176.094 0.040 0.000 1.023 300 V CA 0.113 62.447 62.300 0.057 0.000 0.857 300 V CB 1.646 33.508 31.823 0.066 0.000 0.985 300 V HN 0.884 nan 8.190 nan 0.000 0.443 301 T N 2.807 117.379 114.554 0.031 0.000 2.916 301 T HA 0.389 4.740 4.350 0.001 0.000 0.292 301 T C 1.057 175.767 174.700 0.015 0.000 1.055 301 T CA 0.103 62.215 62.100 0.021 0.000 1.009 301 T CB 1.890 70.767 68.868 0.015 0.000 1.118 301 T HN 1.101 nan 8.240 nan 0.000 0.497 302 S N 1.576 117.283 115.700 0.012 0.000 2.515 302 S HA -0.013 4.458 4.470 0.001 0.000 0.231 302 S C 1.073 175.673 174.600 0.001 0.000 0.987 302 S CA 0.547 58.751 58.200 0.008 0.000 0.936 302 S CB -0.293 62.911 63.200 0.007 0.000 0.766 302 S HN 0.746 nan 8.310 nan 0.000 0.528 303 D N 2.539 122.939 120.400 0.000 0.000 2.178 303 D HA -0.037 4.603 4.640 0.001 0.000 0.202 303 D C 1.522 177.817 176.300 -0.008 0.000 0.974 303 D CA 1.474 55.472 54.000 -0.004 0.000 0.841 303 D CB -0.218 40.581 40.800 -0.003 0.000 0.953 303 D HN 0.680 nan 8.370 nan 0.000 0.478 304 S N -0.115 115.579 115.700 -0.009 0.000 2.552 304 S HA 0.174 4.645 4.470 0.001 0.000 0.246 304 S C 0.441 175.017 174.600 -0.039 0.000 1.019 304 S CA -0.643 57.546 58.200 -0.018 0.000 1.045 304 S CB 0.514 63.708 63.200 -0.010 0.000 0.784 304 S HN -0.140 nan 8.310 nan 0.000 0.453 305 Q N 0.969 120.748 119.800 -0.036 0.000 2.288 305 Q HA 0.502 4.842 4.340 0.001 0.000 0.254 305 Q C 0.478 176.418 176.000 -0.099 0.000 0.932 305 Q CA -0.565 55.205 55.803 -0.054 0.000 0.902 305 Q CB 1.264 29.996 28.738 -0.009 0.000 1.203 305 Q HN 0.359 nan 8.270 nan 0.000 0.415 306 L N 3.352 124.420 121.223 -0.259 0.000 2.253 306 L HA 0.323 4.663 4.340 0.001 0.000 0.205 306 L C 0.037 176.826 176.870 -0.134 0.000 1.078 306 L CA 1.010 55.645 54.840 -0.341 0.000 0.805 306 L CB -0.063 41.534 42.059 -0.770 0.000 0.963 306 L HN 0.658 nan 8.230 nan 0.000 0.459 307 F N -0.313 119.745 119.950 0.179 0.000 2.291 307 F HA 0.193 4.721 4.527 0.001 0.000 0.305 307 F C 1.407 177.213 175.800 0.011 0.000 1.171 307 F CA -0.387 57.710 58.000 0.161 0.000 1.090 307 F CB 0.045 39.091 39.000 0.075 0.000 1.436 307 F HN -0.010 nan 8.300 nan 0.000 0.509 308 N N -0.375 118.443 118.700 0.196 0.000 2.741 308 N HA -0.216 4.525 4.740 0.001 0.000 0.251 308 N C -1.288 174.144 175.510 -0.130 0.000 1.112 308 N CA 0.518 53.565 53.050 -0.006 0.000 0.750 308 N CB -0.750 37.744 38.487 0.012 0.000 1.119 308 N HN 0.410 nan 8.380 nan 0.000 0.561 309 K N -0.003 120.223 120.400 -0.290 0.000 2.435 309 K HA 0.500 4.821 4.320 0.001 0.000 0.251 309 K C -2.776 173.242 176.600 -0.970 0.000 0.954 309 K CA -1.668 54.306 56.287 -0.521 0.000 0.820 309 K CB 2.555 34.740 32.500 -0.525 0.000 1.292 309 K HN -0.168 nan 8.250 nan 0.000 0.436 310 P HA 0.217 nan 4.420 nan 0.000 0.288 310 P C -1.543 175.037 177.300 -1.200 0.000 1.267 310 P CA -0.376 62.107 63.100 -1.029 0.000 0.815 310 P CB 0.472 31.629 31.700 -0.905 0.000 0.989 311 Y N 0.510 120.402 120.300 -0.679 0.000 2.406 311 Y HA 0.435 4.986 4.550 0.001 0.000 0.340 311 Y C -0.524 175.020 175.900 -0.594 0.000 0.975 311 Y CA -0.614 57.204 58.100 -0.469 0.000 1.056 311 Y CB 1.293 39.774 38.460 0.035 0.000 1.210 311 Y HN 0.339 nan 8.280 nan 0.000 0.448 312 W N 4.831 126.236 121.300 0.176 0.000 2.429 312 W HA 0.696 5.356 4.660 0.001 0.000 0.314 312 W C -0.825 175.800 176.519 0.178 0.000 1.062 312 W CA -1.114 56.289 57.345 0.096 0.000 1.211 312 W CB 1.156 30.672 29.460 0.093 0.000 1.305 312 W HN 0.377 nan 8.180 nan 0.000 0.476 313 L N 2.711 124.103 121.223 0.281 0.000 2.260 313 L HA 0.431 4.772 4.340 0.001 0.000 0.289 313 L C 1.242 178.318 176.870 0.343 0.000 1.057 313 L CA -0.672 54.368 54.840 0.333 0.000 0.811 313 L CB 0.580 42.723 42.059 0.140 0.000 1.184 313 L HN 0.608 nan 8.230 nan 0.000 0.429 314 H N 2.162 121.345 119.070 0.188 0.000 2.418 314 H HA 0.299 4.856 4.556 0.001 0.000 0.300 314 H C -0.369 175.026 175.328 0.111 0.000 1.041 314 H CA -0.047 56.089 56.048 0.145 0.000 1.364 314 H CB 0.218 30.064 29.762 0.140 0.000 1.439 314 H HN 0.579 nan 8.280 nan 0.000 0.540 315 K N 0.654 120.750 120.400 -0.508 0.000 2.615 315 K HA 0.601 4.921 4.320 0.001 0.000 0.249 315 K C -0.783 175.709 176.600 -0.180 0.000 0.977 315 K CA -0.230 55.898 56.287 -0.266 0.000 0.833 315 K CB 3.119 35.472 32.500 -0.244 0.000 1.208 315 K HN 0.340 nan 8.250 nan 0.000 0.443 316 A N 1.697 124.497 122.820 -0.033 0.000 2.364 316 A HA 0.019 4.339 4.320 0.001 0.000 0.258 316 A C 1.144 178.768 177.584 0.067 0.000 1.131 316 A CA 0.352 52.434 52.037 0.075 0.000 0.800 316 A CB 0.236 19.311 19.000 0.124 0.000 1.086 316 A HN 0.884 nan 8.150 nan 0.000 0.508 317 Q N -0.476 119.394 119.800 0.116 0.000 2.165 317 Q HA 0.314 4.654 4.340 0.001 0.000 0.197 317 Q C 1.057 177.071 176.000 0.022 0.000 0.952 317 Q CA 1.132 56.972 55.803 0.062 0.000 0.848 317 Q CB -0.554 28.229 28.738 0.074 0.000 0.931 317 Q HN 0.770 nan 8.270 nan 0.000 0.470 318 G N -0.623 108.209 108.800 0.053 0.000 2.714 318 G HA2 0.214 4.175 3.960 0.001 0.000 0.197 318 G HA3 0.214 4.175 3.960 0.001 0.000 0.197 318 G C -0.140 174.758 174.900 -0.003 0.000 1.449 318 G CA -0.051 45.021 45.100 -0.047 0.000 1.065 318 G HN 0.384 nan 8.290 nan 0.000 0.575 319 H N -0.931 118.258 119.070 0.197 0.000 2.486 319 H HA 0.120 4.677 4.556 0.001 0.000 0.287 319 H C 0.787 176.268 175.328 0.256 0.000 1.010 319 H CA 0.007 56.183 56.048 0.214 0.000 1.324 319 H CB 0.393 30.302 29.762 0.245 0.000 1.446 319 H HN 0.269 nan 8.280 nan 0.000 0.537 320 N N 1.596 120.556 118.700 0.433 0.000 2.430 320 N HA -0.087 4.654 4.740 0.001 0.000 0.265 320 N C -0.700 174.974 175.510 0.273 0.000 1.100 320 N CA 0.089 53.371 53.050 0.387 0.000 0.961 320 N CB 0.393 39.184 38.487 0.507 0.000 1.075 320 N HN 0.207 nan 8.380 nan 0.000 0.478 321 N N 3.045 121.808 118.700 0.105 0.000 3.324 321 N HA 0.141 4.882 4.740 0.001 0.000 0.302 321 N C 0.415 175.777 175.510 -0.247 0.000 1.360 321 N CA 0.365 53.401 53.050 -0.024 0.000 1.190 321 N CB -0.673 37.806 38.487 -0.013 0.000 1.462 321 N HN 0.843 nan 8.380 nan 0.000 0.532 322 G N 0.415 108.851 108.800 -0.608 0.000 2.179 322 G HA2 -0.258 3.703 3.960 0.001 0.000 0.257 322 G HA3 -0.258 3.703 3.960 0.001 0.000 0.257 322 G C 0.077 174.700 174.900 -0.461 0.000 1.010 322 G CA 0.259 44.641 45.100 -1.198 0.000 0.736 322 G HN 0.343 nan 8.290 nan 0.000 0.513 323 V N 0.574 120.318 119.914 -0.283 0.000 2.470 323 V HA 0.219 4.340 4.120 0.001 0.000 0.276 323 V C 1.189 177.108 176.094 -0.292 0.000 1.040 323 V CA -0.084 61.977 62.300 -0.398 0.000 1.008 323 V CB 1.111 32.484 31.823 -0.751 0.000 0.990 323 V HN 0.431 nan 8.190 nan 0.000 0.477 324 C N 6.067 125.280 119.300 -0.145 0.000 2.183 324 C HA 0.283 4.743 4.460 0.001 0.000 0.409 324 C C 0.399 175.439 174.990 0.083 0.000 1.022 324 C CA -1.321 57.719 59.018 0.038 0.000 1.367 324 C CB -1.738 26.041 27.740 0.065 0.000 1.650 324 C HN 0.859 nan 8.230 nan 0.000 0.499 325 W N 1.852 123.294 121.300 0.236 0.000 2.158 325 W HA 0.266 4.927 4.660 0.001 0.000 0.339 325 W C 1.260 177.943 176.519 0.273 0.000 1.294 325 W CA 0.217 57.688 57.345 0.209 0.000 1.231 325 W CB 0.047 29.649 29.460 0.237 0.000 1.143 325 W HN 0.801 nan 8.180 nan 0.000 0.571 326 H N 0.209 119.448 119.070 0.281 0.000 3.395 326 H HA -0.279 4.278 4.556 0.001 0.000 0.222 326 H C 0.557 175.939 175.328 0.090 0.000 1.099 326 H CA 1.321 57.446 56.048 0.128 0.000 1.182 326 H CB -1.741 28.092 29.762 0.118 0.000 1.188 326 H HN 0.565 nan 8.280 nan 0.000 0.317 327 N N -0.570 118.248 118.700 0.198 0.000 2.747 327 N HA -0.204 4.536 4.740 0.001 0.000 0.249 327 N C -0.086 175.419 175.510 -0.007 0.000 1.107 327 N CA 1.461 54.562 53.050 0.084 0.000 0.707 327 N CB -0.864 37.652 38.487 0.048 0.000 1.054 327 N HN 0.706 nan 8.380 nan 0.000 0.555 328 Q N -0.182 119.644 119.800 0.044 0.000 2.385 328 Q HA 0.823 5.163 4.340 0.001 0.000 0.262 328 Q C -0.397 175.554 176.000 -0.081 0.000 1.050 328 Q CA -0.800 54.959 55.803 -0.073 0.000 0.903 328 Q CB 2.259 30.983 28.738 -0.024 0.000 1.325 328 Q HN 0.325 nan 8.270 nan 0.000 0.485 329 L N 0.950 122.031 121.223 -0.237 0.000 2.847 329 L HA 0.359 4.700 4.340 0.001 0.000 0.261 329 L C -1.895 174.804 176.870 -0.285 0.000 0.926 329 L CA -0.403 54.378 54.840 -0.099 0.000 1.010 329 L CB 0.883 42.904 42.059 -0.062 0.000 1.538 329 L HN 0.489 nan 8.230 nan 0.000 0.465 330 F N 4.421 124.296 119.950 -0.125 0.000 2.394 330 F HA 0.617 5.145 4.527 0.001 0.000 0.340 330 F C 0.213 176.000 175.800 -0.022 0.000 1.105 330 F CA -0.557 57.348 58.000 -0.159 0.000 1.124 330 F CB 1.838 40.661 39.000 -0.294 0.000 1.145 330 F HN 0.058 nan 8.300 nan 0.000 0.505 331 V N 2.683 122.724 119.914 0.211 0.000 2.376 331 V HA 0.352 4.472 4.120 0.001 0.000 0.287 331 V C -0.457 175.805 176.094 0.280 0.000 1.015 331 V CA -0.658 61.803 62.300 0.268 0.000 0.834 331 V CB 1.641 33.644 31.823 0.300 0.000 1.001 331 V HN 0.807 nan 8.190 nan 0.000 0.428 332 T N 4.627 119.318 114.554 0.229 0.000 2.795 332 T HA 0.713 5.064 4.350 0.001 0.000 0.282 332 T C -0.404 174.454 174.700 0.263 0.000 0.980 332 T CA -0.455 61.774 62.100 0.215 0.000 1.012 332 T CB 1.722 70.689 68.868 0.165 0.000 0.936 332 T HN 0.325 nan 8.240 nan 0.000 0.457 333 V N 3.467 123.536 119.914 0.258 0.000 2.808 333 V HA 0.557 4.678 4.120 0.001 0.000 0.308 333 V C -0.798 175.441 176.094 0.241 0.000 1.099 333 V CA -0.749 61.716 62.300 0.275 0.000 0.920 333 V CB 2.426 34.392 31.823 0.239 0.000 1.014 333 V HN 0.729 nan 8.190 nan 0.000 0.425 334 V N 3.212 123.288 119.914 0.270 0.000 2.588 334 V HA 0.682 4.802 4.120 0.001 0.000 0.304 334 V C -1.211 175.066 176.094 0.304 0.000 1.042 334 V CA -0.415 61.980 62.300 0.158 0.000 0.877 334 V CB 2.029 33.853 31.823 0.001 0.000 0.996 334 V HN 1.010 nan 8.190 nan 0.000 0.425 335 D N 2.310 122.853 120.400 0.238 0.000 2.470 335 D HA 0.313 4.953 4.640 0.001 0.000 0.233 335 D C 0.423 176.793 176.300 0.117 0.000 1.372 335 D CA 0.081 54.269 54.000 0.313 0.000 0.994 335 D CB 1.965 43.057 40.800 0.486 0.000 1.377 335 D HN 0.581 nan 8.370 nan 0.000 0.586 336 T N -0.441 114.145 114.554 0.055 0.000 3.134 336 T HA 0.068 4.418 4.350 0.001 0.000 0.260 336 T C 1.483 176.173 174.700 -0.016 0.000 1.027 336 T CA 0.532 62.563 62.100 -0.115 0.000 0.913 336 T CB -0.081 68.713 68.868 -0.122 0.000 1.046 336 T HN 0.340 nan 8.240 nan 0.000 0.553 337 T N -0.098 114.492 114.554 0.060 0.000 3.118 337 T HA 0.156 4.506 4.350 0.001 0.000 0.260 337 T C 1.040 175.775 174.700 0.059 0.000 1.139 337 T CA -0.036 62.106 62.100 0.070 0.000 1.085 337 T CB -0.316 68.601 68.868 0.082 0.000 0.934 337 T HN 0.392 nan 8.240 nan 0.000 0.518 338 R N 1.355 121.886 120.500 0.050 0.000 2.681 338 R HA 0.282 4.623 4.340 0.001 0.000 0.277 338 R C 0.254 176.618 176.300 0.107 0.000 1.563 338 R CA 0.015 56.155 56.100 0.065 0.000 1.673 338 R CB 0.839 31.166 30.300 0.045 0.000 1.258 338 R HN 0.427 nan 8.270 nan 0.000 0.650 339 S N -1.535 114.195 115.700 0.050 0.000 2.588 339 S HA 0.012 4.483 4.470 0.001 0.000 0.245 339 S C 0.597 175.189 174.600 -0.015 0.000 1.021 339 S CA -0.601 57.579 58.200 -0.033 0.000 1.006 339 S CB 0.201 63.312 63.200 -0.148 0.000 0.830 339 S HN 0.270 nan 8.310 nan 0.000 0.468 340 T N 1.697 116.300 114.554 0.082 0.000 2.867 340 T HA 0.203 4.553 4.350 0.001 0.000 0.297 340 T C -0.223 174.546 174.700 0.115 0.000 0.989 340 T CA -0.305 61.843 62.100 0.079 0.000 1.159 340 T CB -0.201 68.712 68.868 0.076 0.000 0.928 340 T HN 0.439 nan 8.240 nan 0.000 0.538 341 N N 2.517 121.252 118.700 0.057 0.000 2.422 341 N HA 0.345 5.086 4.740 0.001 0.000 0.266 341 N C -0.359 175.183 175.510 0.053 0.000 1.007 341 N CA -0.726 52.361 53.050 0.061 0.000 0.941 341 N CB 0.913 39.392 38.487 -0.014 0.000 1.115 341 N HN 0.515 nan 8.380 nan 0.000 0.492 342 L N 2.070 123.330 121.223 0.062 0.000 2.410 342 L HA 0.174 4.514 4.340 0.001 0.000 0.273 342 L C 0.577 177.465 176.870 0.029 0.000 1.152 342 L CA 0.045 54.909 54.840 0.040 0.000 0.855 342 L CB 0.389 42.469 42.059 0.034 0.000 1.129 342 L HN 0.430 nan 8.230 nan 0.000 0.463 343 T N 4.766 119.340 114.554 0.033 0.000 2.799 343 T HA 0.606 4.957 4.350 0.001 0.000 0.286 343 T C -0.077 174.661 174.700 0.064 0.000 0.973 343 T CA -0.146 61.980 62.100 0.044 0.000 1.035 343 T CB 0.822 69.712 68.868 0.037 0.000 0.932 343 T HN 0.293 nan 8.240 nan 0.000 0.469 344 I N 3.264 123.897 120.570 0.105 0.000 2.533 344 I HA 0.485 4.656 4.170 0.001 0.000 0.290 344 I C -0.245 176.003 176.117 0.220 0.000 1.056 344 I CA -0.836 60.536 61.300 0.120 0.000 1.057 344 I CB 1.637 39.685 38.000 0.079 0.000 1.240 344 I HN 0.760 nan 8.210 nan 0.000 0.423 345 C N 3.968 123.388 119.300 0.201 0.000 2.609 345 C HA 0.981 5.441 4.460 0.001 0.000 0.313 345 C C -0.093 175.064 174.990 0.277 0.000 1.175 345 C CA -0.457 58.728 59.018 0.278 0.000 1.434 345 C CB 0.613 28.498 27.740 0.241 0.000 2.005 345 C HN 0.876 nan 8.230 nan 0.000 0.471 346 A N 2.780 125.781 122.820 0.301 0.000 2.354 346 A HA 0.968 5.288 4.320 0.001 0.000 0.321 346 A C 0.136 177.798 177.584 0.131 0.000 1.125 346 A CA -0.027 52.129 52.037 0.198 0.000 0.799 346 A CB 1.263 20.344 19.000 0.136 0.000 1.293 346 A HN 1.942 nan 8.150 nan 0.000 0.452 347 S N -0.382 115.274 115.700 -0.073 0.000 2.687 347 S HA 0.476 4.946 4.470 0.001 0.000 0.283 347 S C 0.635 175.102 174.600 -0.222 0.000 1.170 347 S CA 0.246 58.199 58.200 -0.411 0.000 1.008 347 S CB 1.120 63.835 63.200 -0.808 0.000 1.026 347 S HN 0.603 nan 8.310 nan 0.000 0.541 348 T N 0.960 115.360 114.554 -0.256 0.000 2.942 348 T HA 0.056 4.407 4.350 0.001 0.000 0.265 348 T C 0.626 175.249 174.700 -0.129 0.000 1.062 348 T CA 0.848 62.865 62.100 -0.137 0.000 1.139 348 T CB -0.171 68.630 68.868 -0.113 0.000 0.883 348 T HN 0.566 nan 8.240 nan 0.000 0.468 349 Q N 0.788 120.480 119.800 -0.181 0.000 2.256 349 Q HA 0.374 4.714 4.340 0.001 0.000 0.232 349 Q C 1.341 177.276 176.000 -0.108 0.000 0.965 349 Q CA -0.118 55.610 55.803 -0.125 0.000 0.908 349 Q CB 1.295 29.961 28.738 -0.120 0.000 1.209 349 Q HN 0.146 nan 8.270 nan 0.000 0.489 350 S N 0.729 116.388 115.700 -0.068 0.000 2.387 350 S HA -0.003 4.468 4.470 0.001 0.000 0.221 350 S C -0.788 173.789 174.600 -0.038 0.000 1.041 350 S CA 0.427 58.599 58.200 -0.047 0.000 0.959 350 S CB -0.808 62.373 63.200 -0.030 0.000 0.843 350 S HN 0.470 nan 8.310 nan 0.000 0.488 351 P HA 0.161 nan 4.420 nan 0.000 0.218 351 P C -0.314 176.975 177.300 -0.018 0.000 1.149 351 P CA 0.681 63.769 63.100 -0.019 0.000 0.817 351 P CB 0.034 31.726 31.700 -0.014 0.000 0.785 352 V N -1.175 118.711 119.914 -0.046 0.000 5.149 352 V HA -0.090 4.030 4.120 0.001 0.000 0.365 352 V C -2.191 173.908 176.094 0.010 0.000 0.607 352 V CA -0.822 61.450 62.300 -0.047 0.000 1.433 352 V CB -2.273 29.554 31.823 0.007 0.000 1.723 352 V HN 0.250 nan 8.190 nan 0.000 0.491 353 P HA 0.146 nan 4.420 nan 0.000 0.267 353 P C 1.266 178.617 177.300 0.085 0.000 1.201 353 P CA 0.825 63.945 63.100 0.034 0.000 0.775 353 P CB 0.895 32.606 31.700 0.018 0.000 0.854 354 G N 0.961 109.805 108.800 0.072 0.000 2.776 354 G HA2 -0.120 3.840 3.960 0.001 0.000 0.209 354 G HA3 -0.120 3.840 3.960 0.001 0.000 0.209 354 G C 0.633 175.597 174.900 0.106 0.000 1.145 354 G CA 0.272 45.424 45.100 0.086 0.000 0.791 354 G HN 0.529 nan 8.290 nan 0.000 0.530 355 Q N -0.141 119.727 119.800 0.112 0.000 2.347 355 Q HA 0.435 4.775 4.340 0.001 0.000 0.262 355 Q C -1.182 174.932 176.000 0.190 0.000 0.980 355 Q CA -1.033 54.844 55.803 0.124 0.000 0.867 355 Q CB 0.801 29.584 28.738 0.075 0.000 1.242 355 Q HN 0.285 nan 8.270 nan 0.000 0.453 356 Y N 3.099 123.456 120.300 0.095 0.000 2.442 356 Y HA 0.347 4.898 4.550 0.001 0.000 0.330 356 Y C -0.790 175.186 175.900 0.126 0.000 1.129 356 Y CA 0.172 58.345 58.100 0.122 0.000 1.365 356 Y CB 0.861 39.339 38.460 0.031 0.000 1.233 356 Y HN 0.584 nan 8.280 nan 0.000 0.529 357 D N 5.062 125.122 120.400 -0.566 0.000 2.319 357 D HA 0.305 4.945 4.640 0.001 0.000 0.237 357 D C 0.566 176.565 176.300 -0.500 0.000 1.353 357 D CA 0.287 54.026 54.000 -0.435 0.000 0.992 357 D CB 1.050 41.781 40.800 -0.114 0.000 1.368 357 D HN 0.792 nan 8.370 nan 0.000 0.564 358 A N 2.597 124.942 122.820 -0.792 0.000 1.916 358 A HA -0.334 3.987 4.320 0.001 0.000 0.224 358 A C 2.056 179.620 177.584 -0.034 0.000 1.366 358 A CA 3.303 55.130 52.037 -0.351 0.000 0.692 358 A CB -1.397 17.526 19.000 -0.128 0.000 0.841 358 A HN 0.692 nan 8.150 nan 0.000 0.480 359 T N -2.909 111.624 114.554 -0.034 0.000 2.977 359 T HA -0.088 4.263 4.350 0.001 0.000 0.271 359 T C 1.449 176.170 174.700 0.034 0.000 1.105 359 T CA 1.662 63.766 62.100 0.007 0.000 1.116 359 T CB -0.225 68.635 68.868 -0.015 0.000 0.878 359 T HN 0.502 nan 8.240 nan 0.000 0.509 360 K N 0.035 120.469 120.400 0.056 0.000 2.476 360 K HA 0.200 4.520 4.320 0.001 0.000 0.196 360 K C -1.059 175.399 176.600 -0.236 0.000 1.025 360 K CA -0.161 56.087 56.287 -0.064 0.000 1.138 360 K CB -0.038 32.391 32.500 -0.118 0.000 0.860 360 K HN 0.384 nan 8.250 nan 0.000 0.515 361 F N 0.392 120.315 119.950 -0.045 0.000 2.569 361 F HA 0.382 4.910 4.527 0.001 0.000 0.312 361 F C -0.321 175.476 175.800 -0.005 0.000 1.109 361 F CA -1.004 56.998 58.000 0.003 0.000 0.919 361 F CB 1.559 40.578 39.000 0.031 0.000 1.211 361 F HN -0.388 nan 8.300 nan 0.000 0.446 362 K N 2.039 122.556 120.400 0.194 0.000 2.213 362 K HA 0.400 4.721 4.320 0.001 0.000 0.270 362 K C -0.792 175.820 176.600 0.020 0.000 1.002 362 K CA -0.883 55.425 56.287 0.035 0.000 0.868 362 K CB 1.724 34.233 32.500 0.015 0.000 1.093 362 K HN 0.524 nan 8.250 nan 0.000 0.454 363 Q N 2.435 122.163 119.800 -0.121 0.000 2.278 363 Q HA 0.266 4.606 4.340 0.001 0.000 0.257 363 Q C -1.518 174.319 176.000 -0.272 0.000 0.928 363 Q CA -0.102 55.660 55.803 -0.070 0.000 0.932 363 Q CB 0.626 29.351 28.738 -0.021 0.000 1.221 363 Q HN 0.363 nan 8.270 nan 0.000 0.434 364 Y N 0.132 120.444 120.300 0.021 0.000 2.621 364 Y HA 0.639 5.190 4.550 0.001 0.000 0.334 364 Y C -0.060 175.807 175.900 -0.055 0.000 1.074 364 Y CA -1.022 57.070 58.100 -0.014 0.000 1.149 364 Y CB 2.320 40.774 38.460 -0.009 0.000 1.302 364 Y HN 0.428 nan 8.280 nan 0.000 0.501 365 S N 1.777 117.501 115.700 0.041 0.000 2.659 365 S HA 0.606 5.077 4.470 0.001 0.000 0.312 365 S C -1.178 173.362 174.600 -0.099 0.000 1.114 365 S CA -0.720 57.431 58.200 -0.082 0.000 1.063 365 S CB 0.127 63.153 63.200 -0.289 0.000 0.996 365 S HN 0.437 nan 8.310 nan 0.000 0.478 366 R N 2.733 123.210 120.500 -0.039 0.000 2.599 366 R HA 0.413 4.754 4.340 0.001 0.000 0.295 366 R C -0.696 175.628 176.300 0.040 0.000 0.963 366 R CA -0.600 55.483 56.100 -0.028 0.000 0.883 366 R CB 1.216 31.505 30.300 -0.018 0.000 1.171 366 R HN 0.803 nan 8.270 nan 0.000 0.450 367 H N 1.069 120.096 119.070 -0.072 0.000 2.529 367 H HA 0.584 5.140 4.556 0.001 0.000 0.348 367 H C -0.868 174.461 175.328 0.002 0.000 1.152 367 H CA -0.820 55.209 56.048 -0.030 0.000 1.202 367 H CB 1.772 31.523 29.762 -0.019 0.000 1.562 367 H HN 0.145 nan 8.280 nan 0.000 0.515 368 V N 2.992 122.530 119.914 -0.627 0.000 2.919 368 V HA 0.246 4.367 4.120 0.001 0.000 0.316 368 V C -0.720 175.064 176.094 -0.517 0.000 1.077 368 V CA -0.629 61.429 62.300 -0.404 0.000 0.977 368 V CB 2.047 33.759 31.823 -0.186 0.000 1.039 368 V HN 0.777 nan 8.190 nan 0.000 0.441 369 E N 1.775 121.880 120.200 -0.158 0.000 2.291 369 E HA 0.407 4.757 4.350 0.001 0.000 0.276 369 E C -1.217 175.459 176.600 0.126 0.000 0.896 369 E CA -0.395 56.003 56.400 -0.003 0.000 0.774 369 E CB 1.699 31.509 29.700 0.184 0.000 1.227 369 E HN 0.726 nan 8.360 nan 0.000 0.413 370 E N 4.651 124.856 120.200 0.009 0.000 2.235 370 E HA 0.281 4.632 4.350 0.001 0.000 0.252 370 E C -1.248 175.277 176.600 -0.125 0.000 0.886 370 E CA -0.529 55.884 56.400 0.021 0.000 0.767 370 E CB 0.543 30.229 29.700 -0.023 0.000 1.205 370 E HN 0.398 nan 8.360 nan 0.000 0.421 371 Y N 1.719 121.975 120.300 -0.073 0.000 2.568 371 Y HA 0.449 4.999 4.550 0.001 0.000 0.327 371 Y C 0.139 175.898 175.900 -0.235 0.000 1.163 371 Y CA -0.734 57.244 58.100 -0.204 0.000 1.219 371 Y CB 1.448 39.707 38.460 -0.335 0.000 1.308 371 Y HN 0.455 nan 8.280 nan 0.000 0.503 372 D N 1.302 121.623 120.400 -0.132 0.000 2.891 372 D HA 0.279 4.920 4.640 0.001 0.000 0.224 372 D C -1.939 174.187 176.300 -0.291 0.000 1.321 372 D CA -0.250 53.641 54.000 -0.181 0.000 0.929 372 D CB 1.041 41.767 40.800 -0.124 0.000 1.551 372 D HN 0.543 nan 8.370 nan 0.000 0.574 373 L N 2.167 123.172 121.223 -0.365 0.000 2.325 373 L HA 0.555 4.896 4.340 0.001 0.000 0.278 373 L C 0.068 176.609 176.870 -0.548 0.000 1.023 373 L CA -0.732 53.791 54.840 -0.529 0.000 0.811 373 L CB 1.797 43.578 42.059 -0.463 0.000 1.249 373 L HN 0.321 nan 8.230 nan 0.000 0.431 374 Q N 2.808 122.061 119.800 -0.912 0.000 2.315 374 Q HA 0.654 4.995 4.340 0.001 0.000 0.273 374 Q C -1.711 173.561 176.000 -1.215 0.000 1.053 374 Q CA -0.533 54.797 55.803 -0.788 0.000 0.817 374 Q CB 2.991 31.449 28.738 -0.465 0.000 1.326 374 Q HN 0.375 nan 8.270 nan 0.000 0.423 375 F N 0.960 120.474 119.950 -0.727 0.000 2.613 375 F HA 0.589 5.117 4.527 0.001 0.000 0.314 375 F C -0.580 174.623 175.800 -0.995 0.000 1.075 375 F CA -1.099 56.374 58.000 -0.878 0.000 0.945 375 F CB 1.481 39.751 39.000 -1.218 0.000 1.310 375 F HN 0.284 nan 8.300 nan 0.000 0.467 376 I N 2.373 122.551 120.570 -0.652 0.000 2.418 376 I HA 0.359 4.530 4.170 0.001 0.000 0.287 376 I C -0.988 174.794 176.117 -0.557 0.000 1.008 376 I CA -1.072 59.882 61.300 -0.577 0.000 1.104 376 I CB 1.192 38.875 38.000 -0.528 0.000 1.264 376 I HN 0.445 nan 8.210 nan 0.000 0.438 377 F N 4.246 124.076 119.950 -0.201 0.000 2.469 377 F HA 0.464 4.991 4.527 0.001 0.000 0.332 377 F C 0.537 176.443 175.800 0.176 0.000 1.103 377 F CA -0.715 57.216 58.000 -0.115 0.000 0.979 377 F CB 1.835 40.553 39.000 -0.470 0.000 1.137 377 F HN 0.375 nan 8.300 nan 0.000 0.463 378 Q N 3.304 123.382 119.800 0.463 0.000 2.293 378 Q HA 0.441 4.781 4.340 0.001 0.000 0.261 378 Q C -1.335 174.871 176.000 0.343 0.000 0.960 378 Q CA -1.191 54.751 55.803 0.231 0.000 0.882 378 Q CB 1.939 30.748 28.738 0.119 0.000 1.275 378 Q HN 0.703 nan 8.270 nan 0.000 0.445 379 L N 4.038 125.407 121.223 0.244 0.000 2.360 379 L HA 0.286 4.627 4.340 0.001 0.000 0.276 379 L C -1.304 175.497 176.870 -0.116 0.000 1.121 379 L CA 0.342 55.203 54.840 0.034 0.000 0.845 379 L CB 0.450 42.502 42.059 -0.012 0.000 1.143 379 L HN 0.781 nan 8.230 nan 0.000 0.452 380 C N 2.284 121.473 119.300 -0.185 0.000 2.719 380 C HA 0.840 5.300 4.460 0.001 0.000 0.327 380 C C 0.138 175.008 174.990 -0.200 0.000 1.238 380 C CA -0.483 58.442 59.018 -0.155 0.000 1.727 380 C CB 1.961 29.635 27.740 -0.110 0.000 2.256 380 C HN 0.879 nan 8.230 nan 0.000 0.489 381 T N -0.402 114.075 114.554 -0.130 0.000 2.841 381 T HA 0.762 5.113 4.350 0.001 0.000 0.283 381 T C -0.983 173.700 174.700 -0.028 0.000 1.000 381 T CA -0.377 61.659 62.100 -0.107 0.000 0.977 381 T CB 0.680 69.511 68.868 -0.062 0.000 0.979 381 T HN 0.505 nan 8.240 nan 0.000 0.446 382 I N 3.039 123.601 120.570 -0.014 0.000 2.382 382 I HA 0.244 4.414 4.170 0.001 0.000 0.285 382 I C 0.150 176.287 176.117 0.033 0.000 1.007 382 I CA -0.808 60.542 61.300 0.083 0.000 1.142 382 I CB 1.814 39.931 38.000 0.196 0.000 1.289 382 I HN 0.689 nan 8.210 nan 0.000 0.453 383 T N 7.417 122.009 114.554 0.064 0.000 2.752 383 T HA 0.308 4.659 4.350 0.001 0.000 0.295 383 T C 0.278 175.014 174.700 0.060 0.000 0.923 383 T CA -0.247 61.879 62.100 0.043 0.000 1.112 383 T CB 0.139 69.032 68.868 0.042 0.000 0.884 383 T HN 0.294 nan 8.240 nan 0.000 0.525 384 L N 5.251 126.492 121.223 0.030 0.000 2.385 384 L HA 0.321 4.661 4.340 0.001 0.000 0.281 384 L C 1.228 178.124 176.870 0.043 0.000 1.106 384 L CA -0.330 54.542 54.840 0.053 0.000 0.856 384 L CB -0.044 42.038 42.059 0.037 0.000 1.186 384 L HN 0.779 nan 8.230 nan 0.000 0.453 385 T N -0.681 113.903 114.554 0.051 0.000 2.773 385 T HA 0.606 4.957 4.350 0.001 0.000 0.278 385 T C 0.955 175.676 174.700 0.034 0.000 1.011 385 T CA -0.103 62.018 62.100 0.034 0.000 1.014 385 T CB 1.677 70.564 68.868 0.032 0.000 1.293 385 T HN 0.371 nan 8.240 nan 0.000 0.554 386 A N 1.285 124.120 122.820 0.025 0.000 1.834 386 A HA -0.123 4.198 4.320 0.001 0.000 0.216 386 A C 1.825 179.424 177.584 0.025 0.000 1.203 386 A CA 2.465 54.515 52.037 0.022 0.000 0.621 386 A CB -1.636 17.373 19.000 0.016 0.000 0.841 386 A HN 1.006 nan 8.150 nan 0.000 0.446 387 D N -0.589 119.824 120.400 0.022 0.000 2.224 387 D HA -0.048 4.593 4.640 0.001 0.000 0.205 387 D C 1.511 177.829 176.300 0.031 0.000 0.965 387 D CA 1.022 55.037 54.000 0.025 0.000 0.852 387 D CB -0.684 40.125 40.800 0.015 0.000 0.947 387 D HN 0.190 nan 8.370 nan 0.000 0.494 388 V N 0.517 120.444 119.914 0.022 0.000 2.255 388 V HA -0.300 3.820 4.120 0.001 0.000 0.247 388 V C 2.608 178.737 176.094 0.059 0.000 1.051 388 V CA 1.924 64.235 62.300 0.018 0.000 1.018 388 V CB -0.547 31.313 31.823 0.061 0.000 0.641 388 V HN 0.207 nan 8.190 nan 0.000 0.445 389 M N 0.593 120.232 119.600 0.065 0.000 2.080 389 M HA -0.200 4.280 4.480 0.001 0.000 0.260 389 M C 2.430 178.742 176.300 0.020 0.000 1.068 389 M CA 2.450 57.785 55.300 0.058 0.000 1.109 389 M CB -0.470 32.162 32.600 0.053 0.000 1.342 389 M HN 0.599 nan 8.290 nan 0.000 0.405 390 S N -0.798 114.916 115.700 0.024 0.000 2.402 390 S HA -0.185 4.286 4.470 0.001 0.000 0.229 390 S C 1.823 176.414 174.600 -0.015 0.000 1.021 390 S CA 0.875 59.075 58.200 0.001 0.000 0.974 390 S CB -0.956 62.252 63.200 0.012 0.000 0.800 390 S HN 0.578 nan 8.310 nan 0.000 0.484 391 Y N 2.372 122.609 120.300 -0.106 0.000 2.114 391 Y HA 0.003 4.553 4.550 0.001 0.000 0.284 391 Y C 2.049 177.840 175.900 -0.182 0.000 1.143 391 Y CA 1.587 59.601 58.100 -0.143 0.000 1.135 391 Y CB -0.430 37.896 38.460 -0.223 0.000 0.980 391 Y HN 0.212 nan 8.280 nan 0.000 0.499 392 I N 0.266 120.774 120.570 -0.103 0.000 2.567 392 I HA -0.279 3.891 4.170 0.001 0.000 0.257 392 I C 2.278 178.209 176.117 -0.310 0.000 1.184 392 I CA 1.473 62.631 61.300 -0.237 0.000 1.451 392 I CB -0.356 37.574 38.000 -0.117 0.000 1.089 392 I HN 0.365 nan 8.210 nan 0.000 0.441 393 Q N 0.982 120.654 119.800 -0.213 0.000 2.020 393 Q HA -0.144 4.197 4.340 0.001 0.000 0.198 393 Q C 2.286 178.154 176.000 -0.218 0.000 0.974 393 Q CA 2.278 57.970 55.803 -0.184 0.000 0.829 393 Q CB -0.086 28.586 28.738 -0.110 0.000 0.894 393 Q HN 0.330 nan 8.270 nan 0.000 0.433 394 S N 0.275 115.837 115.700 -0.229 0.000 2.359 394 S HA -0.213 4.257 4.470 0.001 0.000 0.224 394 S C 1.833 176.244 174.600 -0.315 0.000 1.035 394 S CA 1.485 59.552 58.200 -0.222 0.000 1.018 394 S CB -0.455 62.630 63.200 -0.193 0.000 0.876 394 S HN 0.495 nan 8.310 nan 0.000 0.448 395 M N 1.189 120.474 119.600 -0.525 0.000 2.180 395 M HA -0.128 4.352 4.480 0.001 0.000 0.260 395 M C 0.523 176.446 176.300 -0.628 0.000 1.071 395 M CA 1.635 56.462 55.300 -0.788 0.000 1.096 395 M CB -0.010 32.043 32.600 -0.911 0.000 1.276 395 M HN 0.305 nan 8.290 nan 0.000 0.426 396 N N -0.585 117.811 118.700 -0.506 0.000 2.747 396 N HA 0.068 4.809 4.740 0.001 0.000 0.262 396 N C 0.378 175.694 175.510 -0.323 0.000 1.261 396 N CA 0.299 53.122 53.050 -0.379 0.000 0.809 396 N CB 0.895 39.151 38.487 -0.384 0.000 1.450 396 N HN 0.312 nan 8.380 nan 0.000 0.560 397 S N 1.062 116.615 115.700 -0.245 0.000 2.407 397 S HA -0.234 4.237 4.470 0.001 0.000 0.235 397 S C 1.774 176.248 174.600 -0.209 0.000 1.036 397 S CA 1.834 59.909 58.200 -0.208 0.000 1.013 397 S CB -0.457 62.654 63.200 -0.149 0.000 0.820 397 S HN 0.603 nan 8.310 nan 0.000 0.476 398 S N 1.604 117.204 115.700 -0.166 0.000 2.547 398 S HA 0.138 4.608 4.470 0.001 0.000 0.235 398 S C 1.632 176.062 174.600 -0.283 0.000 0.980 398 S CA 0.779 58.910 58.200 -0.114 0.000 0.941 398 S CB -0.878 62.335 63.200 0.022 0.000 0.763 398 S HN 0.647 nan 8.310 nan 0.000 0.532 399 I N 0.699 120.994 120.570 -0.459 0.000 2.353 399 I HA -0.060 4.111 4.170 0.001 0.000 0.248 399 I C 2.209 177.672 176.117 -1.091 0.000 1.119 399 I CA 1.024 61.789 61.300 -0.892 0.000 1.417 399 I CB -0.282 37.149 38.000 -0.949 0.000 1.078 399 I HN 0.310 nan 8.210 nan 0.000 0.421 400 L N 0.131 120.979 121.223 -0.625 0.000 2.162 400 L HA -0.084 4.256 4.340 0.001 0.000 0.205 400 L C 2.440 179.213 176.870 -0.162 0.000 1.086 400 L CA 0.893 55.547 54.840 -0.310 0.000 0.778 400 L CB -0.366 41.628 42.059 -0.109 0.000 0.928 400 L HN 0.184 nan 8.230 nan 0.000 0.446 401 E N 0.421 120.507 120.200 -0.190 0.000 2.070 401 E HA -0.259 4.092 4.350 0.001 0.000 0.197 401 E C 1.611 178.159 176.600 -0.087 0.000 1.004 401 E CA 1.679 58.014 56.400 -0.107 0.000 0.805 401 E CB 0.061 29.701 29.700 -0.101 0.000 0.744 401 E HN 0.445 nan 8.360 nan 0.000 0.451 402 D N -0.433 119.854 120.400 -0.188 0.000 2.221 402 D HA -0.178 4.462 4.640 0.001 0.000 0.204 402 D C 1.255 177.596 176.300 0.068 0.000 0.982 402 D CA 0.717 54.649 54.000 -0.114 0.000 0.857 402 D CB -0.270 40.390 40.800 -0.233 0.000 0.934 402 D HN 0.389 nan 8.370 nan 0.000 0.475 403 W N 1.438 122.701 121.300 -0.063 0.000 3.180 403 W HA 0.114 4.775 4.660 0.001 0.000 0.254 403 W C 0.533 177.038 176.519 -0.024 0.000 1.318 403 W CA -0.322 57.000 57.345 -0.037 0.000 1.608 403 W CB -0.991 28.451 29.460 -0.030 0.000 1.124 403 W HN -0.080 nan 8.180 nan 0.000 0.694 439 K N 1.108 121.502 120.400 -0.010 0.000 2.281 439 K HA 0.247 4.567 4.320 0.001 0.000 0.272 439 K C -0.952 175.624 176.600 -0.039 0.000 1.048 439 K CA -0.445 55.831 56.287 -0.019 0.000 0.898 439 K CB 0.516 32.999 32.500 -0.027 0.000 1.128 439 K HN 0.308 nan 8.250 nan 0.000 0.460 440 D N 4.708 125.092 120.400 -0.026 0.000 2.312 440 D HA 0.078 4.719 4.640 0.001 0.000 0.252 440 D C -1.558 174.673 176.300 -0.115 0.000 1.150 440 D CA -1.820 52.148 54.000 -0.052 0.000 0.870 440 D CB 1.397 42.217 40.800 0.033 0.000 1.153 440 D HN 0.277 nan 8.370 nan 0.000 0.457 441 P HA -0.080 nan 4.420 nan 0.000 0.239 441 P C 0.195 177.301 177.300 -0.325 0.000 1.184 441 P CA 0.768 63.649 63.100 -0.366 0.000 0.760 441 P CB -0.174 31.199 31.700 -0.545 0.000 0.884 442 Y N -1.089 119.256 120.300 0.075 0.000 2.584 442 Y HA 0.181 4.732 4.550 0.001 0.000 0.254 442 Y C 1.423 177.393 175.900 0.116 0.000 1.177 442 Y CA -0.567 57.622 58.100 0.148 0.000 1.216 442 Y CB 0.064 38.736 38.460 0.355 0.000 1.172 442 Y HN -0.150 nan 8.280 nan 0.000 0.529 443 D N 0.475 120.966 120.400 0.152 0.000 2.378 443 D HA -0.076 4.564 4.640 0.001 0.000 0.227 443 D C 1.596 177.928 176.300 0.054 0.000 1.012 443 D CA 0.875 54.939 54.000 0.106 0.000 0.905 443 D CB 0.267 41.102 40.800 0.059 0.000 0.895 443 D HN 0.292 nan 8.370 nan 0.000 0.532 444 K N -0.273 120.149 120.400 0.036 0.000 2.308 444 K HA 0.148 4.469 4.320 0.001 0.000 0.197 444 K C 0.942 177.502 176.600 -0.067 0.000 1.049 444 K CA 0.077 56.358 56.287 -0.011 0.000 0.991 444 K CB 0.764 33.257 32.500 -0.012 0.000 0.836 444 K HN 0.172 nan 8.250 nan 0.000 0.500 445 L N 2.278 123.429 121.223 -0.121 0.000 2.375 445 L HA 0.197 4.537 4.340 0.001 0.000 0.271 445 L C 0.379 176.936 176.870 -0.522 0.000 1.107 445 L CA -0.763 53.867 54.840 -0.349 0.000 0.806 445 L CB 0.407 42.163 42.059 -0.505 0.000 1.146 445 L HN -0.227 nan 8.230 nan 0.000 0.447 446 K N 2.654 122.755 120.400 -0.498 0.000 2.205 446 K HA 0.565 4.886 4.320 0.001 0.000 0.279 446 K C -0.877 175.447 176.600 -0.460 0.000 1.027 446 K CA 0.138 56.221 56.287 -0.339 0.000 0.932 446 K CB 0.992 33.398 32.500 -0.158 0.000 1.032 446 K HN 0.355 nan 8.250 nan 0.000 0.466 447 F N 0.215 120.198 119.950 0.055 0.000 2.645 447 F HA 0.233 4.761 4.527 0.001 0.000 0.310 447 F C -0.414 175.457 175.800 0.119 0.000 1.102 447 F CA -1.278 56.770 58.000 0.080 0.000 0.952 447 F CB 1.683 40.747 39.000 0.108 0.000 1.326 447 F HN 0.373 nan 8.300 nan 0.000 0.456 448 W N 4.520 125.873 121.300 0.088 0.000 2.332 448 W HA 0.300 4.961 4.660 0.001 0.000 0.306 448 W C -1.021 175.552 176.519 0.090 0.000 1.149 448 W CA -0.956 56.406 57.345 0.027 0.000 1.271 448 W CB 0.541 29.925 29.460 -0.126 0.000 1.243 448 W HN 0.412 nan 8.180 nan 0.000 0.459 449 N N 4.993 123.978 118.700 0.475 0.000 2.422 449 N HA 0.220 4.960 4.740 0.001 0.000 0.264 449 N C -1.072 174.622 175.510 0.306 0.000 1.063 449 N CA -0.183 53.038 53.050 0.285 0.000 0.959 449 N CB 2.094 40.692 38.487 0.184 0.000 1.087 449 N HN 0.059 nan 8.380 nan 0.000 0.483 450 V N 2.127 122.140 119.914 0.165 0.000 2.349 450 V HA 0.098 4.219 4.120 0.001 0.000 0.284 450 V C -0.085 176.034 176.094 0.042 0.000 1.014 450 V CA -0.909 61.459 62.300 0.113 0.000 0.826 450 V CB 1.627 33.470 31.823 0.033 0.000 1.009 450 V HN 0.531 nan 8.190 nan 0.000 0.431 451 D N 4.862 125.295 120.400 0.055 0.000 2.316 451 D HA 0.292 4.932 4.640 0.001 0.000 0.245 451 D C 0.286 176.601 176.300 0.024 0.000 1.171 451 D CA -0.100 53.913 54.000 0.022 0.000 0.856 451 D CB 1.665 42.486 40.800 0.035 0.000 1.090 451 D HN 0.480 nan 8.370 nan 0.000 0.476 452 L N 3.947 125.169 121.223 -0.001 0.000 2.965 452 L HA 0.177 4.517 4.340 0.001 0.000 0.254 452 L C 1.823 178.718 176.870 0.043 0.000 1.220 452 L CA -0.172 54.703 54.840 0.057 0.000 1.023 452 L CB 0.293 42.410 42.059 0.097 0.000 1.355 452 L HN 0.211 nan 8.230 nan 0.000 0.545 453 K N 0.173 120.548 120.400 -0.042 0.000 2.155 453 K HA -0.037 4.283 4.320 0.001 0.000 0.203 453 K C 0.894 177.462 176.600 -0.055 0.000 1.052 453 K CA 0.751 56.952 56.287 -0.145 0.000 0.948 453 K CB 0.250 32.681 32.500 -0.116 0.000 0.728 453 K HN 0.170 nan 8.250 nan 0.000 0.448 454 E N 0.859 121.084 120.200 0.041 0.000 2.335 454 E HA 0.039 4.390 4.350 0.001 0.000 0.191 454 E C 0.245 176.939 176.600 0.157 0.000 1.077 454 E CA 0.289 56.750 56.400 0.102 0.000 1.010 454 E CB 0.507 30.261 29.700 0.090 0.000 1.141 454 E HN 0.172 nan 8.360 nan 0.000 0.452 455 K N 0.146 120.673 120.400 0.212 0.000 2.533 455 K HA 0.183 4.503 4.320 0.001 0.000 0.202 455 K C -0.128 176.654 176.600 0.304 0.000 1.096 455 K CA -0.312 56.109 56.287 0.224 0.000 1.056 455 K CB 0.639 33.237 32.500 0.163 0.000 0.890 455 K HN -0.058 nan 8.250 nan 0.000 0.552 456 F N 1.451 121.444 119.950 0.072 0.000 2.412 456 F HA 0.267 4.794 4.527 0.001 0.000 0.348 456 F C 0.896 176.890 175.800 0.324 0.000 1.102 456 F CA -0.377 57.705 58.000 0.137 0.000 1.196 456 F CB 1.424 40.405 39.000 -0.031 0.000 1.144 456 F HN -0.239 nan 8.300 nan 0.000 0.541 457 S N 3.105 119.057 115.700 0.419 0.000 2.570 457 S HA 0.573 5.043 4.470 0.001 0.000 0.286 457 S C 0.325 175.069 174.600 0.240 0.000 1.099 457 S CA -0.617 57.793 58.200 0.351 0.000 0.913 457 S CB 1.144 64.490 63.200 0.244 0.000 1.085 457 S HN 0.669 nan 8.310 nan 0.000 0.480 458 L N 1.433 122.721 121.223 0.108 0.000 2.513 458 L HA 0.231 4.571 4.340 0.001 0.000 0.222 458 L C -0.205 176.671 176.870 0.010 0.000 1.096 458 L CA 0.278 55.045 54.840 -0.122 0.000 0.857 458 L CB 0.051 42.018 42.059 -0.153 0.000 1.026 458 L HN 0.652 nan 8.230 nan 0.000 0.469 459 D N 0.296 120.755 120.400 0.098 0.000 2.483 459 D HA 0.087 4.728 4.640 0.001 0.000 0.220 459 D C 1.283 177.679 176.300 0.160 0.000 1.173 459 D CA -0.157 53.904 54.000 0.102 0.000 0.964 459 D CB 0.178 41.016 40.800 0.064 0.000 1.046 459 D HN 0.078 nan 8.370 nan 0.000 0.517 460 L N 0.508 121.822 121.223 0.152 0.000 2.079 460 L HA -0.207 4.133 4.340 0.001 0.000 0.210 460 L C 1.899 178.870 176.870 0.169 0.000 1.081 460 L CA 1.572 56.531 54.840 0.198 0.000 0.752 460 L CB -0.486 41.689 42.059 0.194 0.000 0.896 460 L HN 0.328 nan 8.230 nan 0.000 0.433 461 D N -0.315 120.143 120.400 0.096 0.000 2.271 461 D HA -0.225 4.416 4.640 0.001 0.000 0.207 461 D C 1.975 178.256 176.300 -0.032 0.000 0.983 461 D CA 0.923 54.945 54.000 0.037 0.000 0.878 461 D CB 0.166 40.977 40.800 0.017 0.000 0.920 461 D HN 0.271 nan 8.370 nan 0.000 0.479 462 Q N -0.870 118.873 119.800 -0.094 0.000 2.320 462 Q HA 0.074 4.414 4.340 0.001 0.000 0.201 462 Q C -0.736 174.884 176.000 -0.632 0.000 0.910 462 Q CA 0.270 55.859 55.803 -0.357 0.000 0.946 462 Q CB 0.531 28.983 28.738 -0.476 0.000 1.062 462 Q HN 0.470 nan 8.270 nan 0.000 0.503 463 Y N -0.565 119.658 120.300 -0.128 0.000 2.504 463 Y HA 0.208 4.758 4.550 0.001 0.000 0.344 463 Y C -1.686 174.192 175.900 -0.036 0.000 1.023 463 Y CA -2.136 55.865 58.100 -0.165 0.000 1.020 463 Y CB 1.669 39.819 38.460 -0.517 0.000 1.282 463 Y HN -0.166 nan 8.280 nan 0.000 0.454 464 P HA -0.255 nan 4.420 nan 0.000 0.211 464 P C 1.732 179.118 177.300 0.144 0.000 1.181 464 P CA 1.671 64.830 63.100 0.099 0.000 0.929 464 P CB 0.641 32.379 31.700 0.063 0.000 0.789 465 L N -0.448 120.869 121.223 0.157 0.000 2.021 465 L HA -0.192 4.149 4.340 0.001 0.000 0.215 465 L C 2.779 179.830 176.870 0.302 0.000 1.074 465 L CA 2.359 57.292 54.840 0.154 0.000 0.760 465 L CB -1.474 40.590 42.059 0.009 0.000 0.889 465 L HN 0.094 nan 8.230 nan 0.000 0.433 466 G N -0.496 108.511 108.800 0.344 0.000 2.529 466 G HA2 -0.326 3.635 3.960 0.001 0.000 0.219 466 G HA3 -0.326 3.635 3.960 0.001 0.000 0.219 466 G C 1.594 176.650 174.900 0.261 0.000 1.177 466 G CA 1.075 46.365 45.100 0.317 0.000 0.773 466 G HN 0.385 nan 8.290 nan 0.000 0.573 467 R N 0.227 120.833 120.500 0.177 0.000 2.062 467 R HA 0.062 4.403 4.340 0.001 0.000 0.231 467 R C 2.665 179.022 176.300 0.095 0.000 1.136 467 R CA 1.224 57.385 56.100 0.102 0.000 0.948 467 R CB -0.341 29.993 30.300 0.056 0.000 0.845 467 R HN 0.253 nan 8.270 nan 0.000 0.430 468 K N 0.092 120.581 120.400 0.148 0.000 2.144 468 K HA -0.240 4.080 4.320 0.001 0.000 0.209 468 K C 1.835 178.523 176.600 0.147 0.000 1.047 468 K CA 1.886 58.293 56.287 0.201 0.000 0.927 468 K CB -0.286 32.408 32.500 0.323 0.000 0.716 468 K HN 0.142 nan 8.250 nan 0.000 0.454 469 F N 0.957 120.922 119.950 0.025 0.000 2.234 469 F HA -0.022 4.505 4.527 0.001 0.000 0.296 469 F C 1.588 177.144 175.800 -0.407 0.000 1.089 469 F CA 0.925 58.691 58.000 -0.391 0.000 1.343 469 F CB -0.078 38.806 39.000 -0.194 0.000 1.040 469 F HN -0.129 nan 8.300 nan 0.000 0.498 470 L N -0.469 120.606 121.223 -0.247 0.000 2.141 470 L HA -0.174 4.166 4.340 0.001 0.000 0.209 470 L C 2.310 178.964 176.870 -0.361 0.000 1.094 470 L CA 0.710 55.354 54.840 -0.325 0.000 0.763 470 L CB -0.676 41.334 42.059 -0.081 0.000 0.908 470 L HN 0.069 nan 8.230 nan 0.000 0.437 471 V N -0.497 119.256 119.914 -0.268 0.000 2.283 471 V HA -0.275 3.846 4.120 0.001 0.000 0.243 471 V C 2.448 178.351 176.094 -0.319 0.000 1.039 471 V CA 1.742 63.912 62.300 -0.218 0.000 1.016 471 V CB -0.596 31.154 31.823 -0.121 0.000 0.650 471 V HN 0.522 nan 8.190 nan 0.000 0.449 472 Q N 0.412 119.948 119.800 -0.440 0.000 2.308 472 Q HA -0.207 4.134 4.340 0.001 0.000 0.209 472 Q C 1.895 177.542 176.000 -0.589 0.000 0.985 472 Q CA 2.007 57.493 55.803 -0.528 0.000 0.881 472 Q CB -0.153 28.077 28.738 -0.846 0.000 0.917 472 Q HN 0.633 nan 8.270 nan 0.000 0.443 473 A N -1.097 121.299 122.820 -0.707 0.000 2.238 473 A HA 0.383 4.703 4.320 0.001 0.000 0.210 473 A C 1.418 178.787 177.584 -0.359 0.000 1.179 473 A CA 1.147 52.812 52.037 -0.621 0.000 0.827 473 A CB 0.111 18.599 19.000 -0.852 0.000 0.856 473 A HN 0.579 nan 8.150 nan 0.000 0.488 474 G N -0.223 108.396 108.800 -0.301 0.000 3.178 474 G HA2 -0.207 3.753 3.960 0.001 0.000 0.200 474 G HA3 -0.207 3.753 3.960 0.001 0.000 0.200 474 G C 0.507 175.312 174.900 -0.158 0.000 1.831 474 G CA -0.228 44.757 45.100 -0.192 0.000 1.470 474 G HN 1.072 nan 8.290 nan 0.000 0.591 475 L N 0.000 121.133 121.223 -0.150 0.000 2.949 475 L HA 0.000 4.341 4.340 0.001 0.000 0.249 475 L CA 0.000 54.776 54.840 -0.107 0.000 0.813 475 L CB 0.000 42.009 42.059 -0.084 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502