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 2pnk_1_B DATA FIRST_RESID 2 DATA SEQUENCE SINSREVLAE KVKNAVNNQP VTDXHTHLFS PNFGEILLWD IDELLTYHYL DATA SEQUENCE VAEVXRWTDV SIEAFWAXSK REQADLIWEE LFIKRSPVSE ACRGVLTCLQ DATA SEQUENCE GLGLDPATRD LQVYREYFAK KTSEEQVDTV LQLANVSDVV XTNDPFDDNE DATA SEQUENCE RISWLEGKQP DSRFHAALRL DPLLNEYEQT KHRLRDWGYK VNDEWNEGSI DATA SEQUENCE QEVKRFLTDW IERXDPVYXA VSLPPTFSFP EESNRGRIIR DCLLPVAEKH DATA SEQUENCE NIPFAXXIGV KKRVHPALGD AGDFVGKASX DGVEHLLREY PNNKFLVTXL DATA SEQUENCE SRENQHELVV LARKFSNLXI FGCWWFXNNP EIINEXTRXR XEXLGTSFIP DATA SEQUENCE QHSDARVLEQ LIYKWHHSKS IIAEVLIDKY DDILQAGWEV TEEEIKRDVA DATA SEQUENCE DLFSRNFWRF VGRNDHVTSV KV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.574 174.600 -0.043 0.000 1.055 2 S CA 0.000 58.160 58.200 -0.066 0.000 1.107 2 S CB 0.000 63.153 63.200 -0.078 0.000 0.593 3 I N 2.777 123.324 120.570 -0.038 0.000 2.440 3 I HA 0.416 4.586 4.170 0.001 0.000 0.294 3 I C 0.509 176.623 176.117 -0.006 0.000 0.995 3 I CA -0.582 60.705 61.300 -0.022 0.000 1.306 3 I CB 1.121 39.105 38.000 -0.026 0.000 1.407 3 I HN 0.896 nan 8.210 nan 0.000 0.501 4 N N 3.660 122.361 118.700 0.001 0.000 2.636 4 N HA 0.210 4.950 4.740 0.001 0.000 0.287 4 N C -1.252 174.267 175.510 0.015 0.000 1.817 4 N CA -0.470 52.587 53.050 0.011 0.000 0.842 4 N CB 0.806 39.296 38.487 0.006 0.000 1.353 4 N HN 0.554 nan 8.380 nan 0.000 0.500 5 S N -0.282 115.429 115.700 0.019 0.000 2.588 5 S HA 0.346 4.817 4.470 0.001 0.000 0.269 5 S C 0.243 174.862 174.600 0.031 0.000 1.157 5 S CA -0.980 57.234 58.200 0.024 0.000 0.824 5 S CB 2.571 65.782 63.200 0.018 0.000 1.126 5 S HN 0.346 nan 8.310 nan 0.000 0.464 6 R N 0.204 120.726 120.500 0.036 0.000 2.276 6 R HA 0.199 4.540 4.340 0.001 0.000 0.196 6 R C 1.875 178.199 176.300 0.040 0.000 0.961 6 R CA 1.357 57.484 56.100 0.045 0.000 1.024 6 R CB -0.649 29.680 30.300 0.049 0.000 0.940 6 R HN 0.821 nan 8.270 nan 0.000 0.480 7 E N 0.341 120.560 120.200 0.031 0.000 2.028 7 E HA -0.077 4.274 4.350 0.001 0.000 0.191 7 E C 1.855 178.470 176.600 0.026 0.000 0.988 7 E CA 1.553 57.970 56.400 0.028 0.000 0.799 7 E CB -0.784 28.930 29.700 0.022 0.000 0.755 7 E HN 0.187 nan 8.360 nan 0.000 0.447 8 V N 0.331 120.257 119.914 0.020 0.000 2.427 8 V HA -0.148 3.972 4.120 0.001 0.000 0.248 8 V C 2.655 178.756 176.094 0.012 0.000 1.051 8 V CA 1.595 63.903 62.300 0.013 0.000 1.048 8 V CB -0.302 31.524 31.823 0.006 0.000 0.666 8 V HN 0.529 nan 8.190 nan 0.000 0.456 9 L N 1.045 122.278 121.223 0.018 0.000 1.989 9 L HA -0.139 4.201 4.340 0.001 0.000 0.211 9 L C 2.518 179.412 176.870 0.041 0.000 1.071 9 L CA 2.524 57.376 54.840 0.020 0.000 0.749 9 L CB -0.990 41.097 42.059 0.047 0.000 0.890 9 L HN 0.227 nan 8.230 nan 0.000 0.431 10 A N -0.949 121.904 122.820 0.054 0.000 1.892 10 A HA -0.306 4.015 4.320 0.001 0.000 0.218 10 A C 2.334 179.950 177.584 0.053 0.000 1.188 10 A CA 2.040 54.115 52.037 0.064 0.000 0.631 10 A CB -0.877 18.157 19.000 0.058 0.000 0.822 10 A HN 0.652 nan 8.150 nan 0.000 0.447 11 E N -0.068 120.154 120.200 0.037 0.000 2.038 11 E HA -0.238 4.113 4.350 0.001 0.000 0.195 11 E C 1.984 178.599 176.600 0.026 0.000 1.000 11 E CA 1.603 58.021 56.400 0.030 0.000 0.803 11 E CB -0.149 29.563 29.700 0.021 0.000 0.750 11 E HN 0.634 nan 8.360 nan 0.000 0.448 12 K N 0.002 120.411 120.400 0.015 0.000 2.148 12 K HA -0.084 4.237 4.320 0.001 0.000 0.204 12 K C 2.197 178.807 176.600 0.017 0.000 1.050 12 K CA 1.058 57.347 56.287 0.002 0.000 0.942 12 K CB 0.090 32.576 32.500 -0.023 0.000 0.724 12 K HN 0.069 nan 8.250 nan 0.000 0.446 13 V N 1.820 121.758 119.914 0.041 0.000 2.323 13 V HA -0.219 3.901 4.120 0.001 0.000 0.244 13 V C 2.066 178.216 176.094 0.093 0.000 1.041 13 V CA 1.622 63.979 62.300 0.097 0.000 1.025 13 V CB -0.345 31.584 31.823 0.178 0.000 0.656 13 V HN 0.266 nan 8.190 nan 0.000 0.451 14 K N 0.319 120.764 120.400 0.075 0.000 2.063 14 K HA -0.191 4.129 4.320 0.001 0.000 0.208 14 K C 2.064 178.687 176.600 0.038 0.000 1.048 14 K CA 1.731 58.054 56.287 0.060 0.000 0.928 14 K CB -0.339 32.193 32.500 0.054 0.000 0.713 14 K HN 0.424 nan 8.250 nan 0.000 0.442 15 N N 0.938 119.656 118.700 0.030 0.000 2.120 15 N HA -0.143 4.598 4.740 0.001 0.000 0.188 15 N C 1.767 177.281 175.510 0.007 0.000 1.024 15 N CA 1.409 54.469 53.050 0.015 0.000 0.852 15 N CB -0.427 38.067 38.487 0.012 0.000 1.003 15 N HN 0.190 nan 8.380 nan 0.000 0.424 16 A N 0.937 123.769 122.820 0.020 0.000 1.883 16 A HA -0.101 4.220 4.320 0.001 0.000 0.217 16 A C 2.557 180.141 177.584 -0.001 0.000 1.186 16 A CA 1.498 53.548 52.037 0.022 0.000 0.624 16 A CB -0.914 18.117 19.000 0.052 0.000 0.822 16 A HN 0.105 nan 8.150 nan 0.000 0.444 17 V N 1.030 120.952 119.914 0.012 0.000 2.295 17 V HA -0.270 3.850 4.120 0.001 0.000 0.246 17 V C 2.298 178.282 176.094 -0.183 0.000 1.049 17 V CA 2.217 64.474 62.300 -0.071 0.000 1.024 17 V CB -0.932 30.911 31.823 0.032 0.000 0.648 17 V HN 0.569 nan 8.190 nan 0.000 0.447 18 N N 0.653 119.302 118.700 -0.084 0.000 2.188 18 N HA -0.102 4.638 4.740 0.001 0.000 0.184 18 N C 1.558 177.012 175.510 -0.093 0.000 1.018 18 N CA 1.190 54.194 53.050 -0.075 0.000 0.858 18 N CB -0.476 38.005 38.487 -0.010 0.000 0.989 18 N HN 0.476 nan 8.380 nan 0.000 0.426 19 N N 0.794 119.449 118.700 -0.075 0.000 2.457 19 N HA -0.075 4.666 4.740 0.001 0.000 0.180 19 N C 0.438 175.893 175.510 -0.092 0.000 1.050 19 N CA 0.251 53.261 53.050 -0.067 0.000 0.906 19 N CB -0.186 38.279 38.487 -0.036 0.000 0.968 19 N HN 0.298 nan 8.380 nan 0.000 0.445 20 Q N 2.292 122.012 119.800 -0.132 0.000 2.281 20 Q HA 0.188 4.529 4.340 0.001 0.000 0.267 20 Q C -2.592 173.295 176.000 -0.187 0.000 1.053 20 Q CA -1.695 54.028 55.803 -0.134 0.000 0.905 20 Q CB 0.741 29.400 28.738 -0.132 0.000 1.195 20 Q HN 0.029 nan 8.270 nan 0.000 0.398 21 P HA -0.007 nan 4.420 nan 0.000 0.267 21 P C -1.067 176.134 177.300 -0.165 0.000 1.205 21 P CA -0.084 62.930 63.100 -0.143 0.000 0.765 21 P CB 0.755 32.405 31.700 -0.083 0.000 0.828 22 V N 4.353 124.091 119.914 -0.293 0.000 2.509 22 V HA 0.203 4.324 4.120 0.001 0.000 0.284 22 V C 0.577 176.516 176.094 -0.258 0.000 1.047 22 V CA 0.027 62.096 62.300 -0.385 0.000 0.952 22 V CB 1.270 32.538 31.823 -0.925 0.000 0.988 22 V HN 0.481 nan 8.190 nan 0.000 0.469 23 T N 4.348 118.829 114.554 -0.122 0.000 2.733 23 T HA 0.232 4.583 4.350 0.001 0.000 0.294 23 T C -0.142 174.442 174.700 -0.193 0.000 0.956 23 T CA -0.155 61.900 62.100 -0.075 0.000 0.987 23 T CB 0.734 69.651 68.868 0.081 0.000 0.920 23 T HN 0.772 nan 8.240 nan 0.000 0.470 27 T N 0.880 115.123 114.554 -0.518 0.000 2.838 27 T HA 0.350 4.701 4.350 0.001 0.000 0.292 27 T C -0.365 173.922 174.700 -0.688 0.000 1.113 27 T CA -0.853 61.000 62.100 -0.412 0.000 1.008 27 T CB 1.692 70.463 68.868 -0.163 0.000 1.259 27 T HN 0.663 nan 8.240 nan 0.000 0.520 28 H N -0.262 118.656 119.070 -0.253 0.000 2.481 28 H HA 0.542 5.099 4.556 0.001 0.000 0.273 28 H C -0.266 174.864 175.328 -0.330 0.000 1.145 28 H CA -0.341 55.550 56.048 -0.262 0.000 0.964 28 H CB -0.092 29.628 29.762 -0.070 0.000 1.722 28 H HN 0.236 nan 8.280 nan 0.000 0.573 29 L N 0.340 121.382 121.223 -0.301 0.000 2.375 29 L HA 0.456 4.797 4.340 0.001 0.000 0.268 29 L C -0.649 175.922 176.870 -0.499 0.000 1.058 29 L CA -0.753 53.977 54.840 -0.184 0.000 0.803 29 L CB 1.054 43.154 42.059 0.069 0.000 1.212 29 L HN 0.115 nan 8.230 nan 0.000 0.451 30 F N -0.905 119.042 119.950 -0.004 0.000 2.588 30 F HA 0.313 4.841 4.527 0.001 0.000 0.314 30 F C 0.533 175.837 175.800 -0.827 0.000 1.069 30 F CA -0.720 57.094 58.000 -0.308 0.000 0.931 30 F CB 1.942 40.825 39.000 -0.196 0.000 1.260 30 F HN 0.294 nan 8.300 nan 0.000 0.465 31 S N 3.075 118.038 115.700 -1.228 0.000 2.558 31 S HA 0.068 4.538 4.470 0.001 0.000 0.293 31 S C -1.344 172.854 174.600 -0.670 0.000 1.292 31 S CA -0.993 56.295 58.200 -1.518 0.000 1.063 31 S CB 0.638 63.170 63.200 -1.113 0.000 0.831 31 S HN 0.423 nan 8.310 nan 0.000 0.499 32 P HA -0.113 nan 4.420 nan 0.000 0.220 32 P C 0.921 178.179 177.300 -0.071 0.000 1.148 32 P CA 0.888 63.873 63.100 -0.192 0.000 0.803 32 P CB -0.275 31.322 31.700 -0.171 0.000 0.782 33 N N -0.461 118.205 118.700 -0.058 0.000 2.520 33 N HA -0.140 4.600 4.740 0.001 0.000 0.185 33 N C 1.118 176.697 175.510 0.115 0.000 1.068 33 N CA 0.723 53.788 53.050 0.025 0.000 0.911 33 N CB -1.307 37.189 38.487 0.014 0.000 0.961 33 N HN 0.081 nan 8.380 nan 0.000 0.446 34 F N 0.814 120.642 119.950 -0.203 0.000 2.748 34 F HA 0.256 4.784 4.527 0.001 0.000 0.299 34 F C 2.064 177.759 175.800 -0.176 0.000 1.154 34 F CA 0.186 58.050 58.000 -0.228 0.000 1.446 34 F CB -0.606 38.233 39.000 -0.268 0.000 1.112 34 F HN 0.351 nan 8.300 nan 0.000 0.584 35 G N 0.154 108.986 108.800 0.052 0.000 2.484 35 G HA2 -0.242 3.719 3.960 0.001 0.000 0.225 35 G HA3 -0.242 3.719 3.960 0.001 0.000 0.225 35 G C 0.712 175.648 174.900 0.060 0.000 1.250 35 G CA -0.084 45.032 45.100 0.025 0.000 0.926 35 G HN 0.078 nan 8.290 nan 0.000 0.581 36 E N 0.721 120.948 120.200 0.044 0.000 2.511 36 E HA 0.019 4.370 4.350 0.001 0.000 0.196 36 E C 2.534 179.181 176.600 0.077 0.000 1.066 36 E CA 0.980 57.425 56.400 0.075 0.000 0.871 36 E CB -0.169 29.558 29.700 0.046 0.000 0.863 36 E HN 0.750 nan 8.360 nan 0.000 0.520 37 I N -1.597 118.986 120.570 0.022 0.000 2.756 37 I HA -0.080 4.091 4.170 0.001 0.000 0.262 37 I C 1.060 177.311 176.117 0.223 0.000 1.225 37 I CA 0.070 61.377 61.300 0.012 0.000 1.472 37 I CB -0.288 37.529 38.000 -0.305 0.000 1.094 37 I HN -0.078 nan 8.210 nan 0.000 0.454 38 L N 3.562 124.933 121.223 0.247 0.000 2.407 38 L HA 0.324 4.665 4.340 0.001 0.000 0.282 38 L C -0.285 176.788 176.870 0.338 0.000 1.110 38 L CA 0.114 55.148 54.840 0.324 0.000 0.863 38 L CB 0.094 42.285 42.059 0.220 0.000 1.207 38 L HN 0.142 nan 8.230 nan 0.000 0.454 39 L N 6.844 128.250 121.223 0.304 0.000 2.305 39 L HA 0.444 4.784 4.340 0.001 0.000 0.281 39 L C -0.469 176.607 176.870 0.344 0.000 1.085 39 L CA -0.378 54.612 54.840 0.250 0.000 0.813 39 L CB 0.568 42.729 42.059 0.170 0.000 1.157 39 L HN 0.723 nan 8.230 nan 0.000 0.436 40 W N 3.358 124.670 121.300 0.020 0.000 3.146 40 W HA 0.596 5.257 4.660 0.001 0.000 0.319 40 W C -1.492 174.963 176.519 -0.106 0.000 1.258 40 W CA -1.209 56.130 57.345 -0.011 0.000 1.189 40 W CB 1.009 30.503 29.460 0.055 0.000 1.412 40 W HN 0.677 nan 8.180 nan 0.000 0.567 41 D N -0.355 119.939 120.400 -0.176 0.000 10.377 41 D HA -0.207 4.433 4.640 0.001 0.000 0.330 41 D C -0.558 175.266 176.300 -0.793 0.000 3.150 41 D CA 0.093 53.576 54.000 -0.862 0.000 2.679 41 D CB -0.705 39.555 40.800 -0.901 0.000 1.303 41 D HN 0.421 nan 8.370 nan 0.000 0.957 42 I N 0.450 120.343 120.570 -1.128 0.000 2.286 42 I HA -0.080 4.090 4.170 0.001 0.000 0.248 42 I C 1.435 177.398 176.117 -0.256 0.000 1.115 42 I CA 1.748 62.752 61.300 -0.493 0.000 1.392 42 I CB -0.474 37.385 38.000 -0.236 0.000 1.065 42 I HN 0.428 nan 8.210 nan 0.000 0.418 43 D N 0.545 120.790 120.400 -0.257 0.000 2.178 43 D HA -0.144 4.497 4.640 0.001 0.000 0.202 43 D C 2.043 178.301 176.300 -0.070 0.000 0.974 43 D CA 0.924 54.843 54.000 -0.135 0.000 0.841 43 D CB -0.163 40.557 40.800 -0.134 0.000 0.953 43 D HN 0.440 nan 8.370 nan 0.000 0.478 44 E N 0.614 120.746 120.200 -0.114 0.000 2.072 44 E HA -0.061 4.290 4.350 0.001 0.000 0.191 44 E C 2.544 179.159 176.600 0.025 0.000 0.985 44 E CA 0.145 56.528 56.400 -0.028 0.000 0.801 44 E CB -0.288 29.378 29.700 -0.055 0.000 0.750 44 E HN 0.348 nan 8.360 nan 0.000 0.452 45 L N 0.447 121.653 121.223 -0.029 0.000 2.012 45 L HA -0.192 4.149 4.340 0.001 0.000 0.210 45 L C 2.572 179.528 176.870 0.143 0.000 1.073 45 L CA 1.028 55.883 54.840 0.025 0.000 0.748 45 L CB -0.414 41.645 42.059 0.000 0.000 0.891 45 L HN 0.112 nan 8.230 nan 0.000 0.431 46 L N -0.771 120.525 121.223 0.121 0.000 2.217 46 L HA -0.108 4.233 4.340 0.001 0.000 0.211 46 L C 2.238 179.264 176.870 0.261 0.000 1.107 46 L CA 1.430 56.389 54.840 0.199 0.000 0.783 46 L CB -0.469 41.672 42.059 0.138 0.000 0.919 46 L HN 0.424 nan 8.230 nan 0.000 0.442 47 T N -4.918 109.782 114.554 0.243 0.000 3.105 47 T HA 0.013 4.364 4.350 0.001 0.000 0.253 47 T C 0.524 175.449 174.700 0.375 0.000 1.047 47 T CA -0.441 61.847 62.100 0.313 0.000 0.944 47 T CB -0.336 68.692 68.868 0.266 0.000 1.016 47 T HN 0.021 nan 8.240 nan 0.000 0.544 48 Y N 4.515 124.920 120.300 0.175 0.000 2.993 48 Y HA -0.072 4.479 4.550 0.001 0.000 0.340 48 Y C 1.566 177.589 175.900 0.205 0.000 1.273 48 Y CA -0.056 58.125 58.100 0.135 0.000 1.545 48 Y CB 0.344 38.825 38.460 0.037 0.000 1.275 48 Y HN 0.569 nan 8.280 nan 0.000 0.617 49 H N 2.547 121.722 119.070 0.175 0.000 2.491 49 H HA -0.139 4.418 4.556 0.001 0.000 0.290 49 H C 1.249 176.613 175.328 0.060 0.000 1.050 49 H CA 1.896 58.028 56.048 0.140 0.000 1.309 49 H CB -0.688 29.178 29.762 0.174 0.000 1.392 49 H HN 0.659 nan 8.280 nan 0.000 0.554 50 Y N 0.918 120.731 120.300 -0.812 0.000 2.165 50 Y HA -0.117 4.434 4.550 0.001 0.000 0.286 50 Y C 2.299 178.136 175.900 -0.105 0.000 1.155 50 Y CA 1.228 59.068 58.100 -0.434 0.000 1.164 50 Y CB -0.401 37.698 38.460 -0.602 0.000 0.978 50 Y HN 0.263 nan 8.280 nan 0.000 0.513 51 L N -1.801 119.501 121.223 0.131 0.000 2.341 51 L HA -0.086 4.255 4.340 0.001 0.000 0.214 51 L C 2.155 179.083 176.870 0.097 0.000 1.115 51 L CA 0.088 55.028 54.840 0.168 0.000 0.820 51 L CB -0.411 41.804 42.059 0.260 0.000 0.944 51 L HN -0.002 nan 8.230 nan 0.000 0.452 52 V N 0.235 120.189 119.914 0.068 0.000 2.358 52 V HA -0.277 3.844 4.120 0.001 0.000 0.246 52 V C 2.774 178.775 176.094 -0.155 0.000 1.047 52 V CA 1.814 64.034 62.300 -0.133 0.000 1.035 52 V CB -0.753 31.015 31.823 -0.092 0.000 0.658 52 V HN 0.476 nan 8.190 nan 0.000 0.452 53 A N -0.239 122.567 122.820 -0.023 0.000 1.883 53 A HA -0.269 4.052 4.320 0.001 0.000 0.217 53 A C 2.174 179.730 177.584 -0.047 0.000 1.186 53 A CA 2.078 54.097 52.037 -0.029 0.000 0.624 53 A CB -0.479 18.546 19.000 0.042 0.000 0.822 53 A HN 0.638 nan 8.150 nan 0.000 0.444 54 E N -0.702 119.500 120.200 0.003 0.000 2.072 54 E HA 0.004 4.355 4.350 0.001 0.000 0.191 54 E C 1.047 177.681 176.600 0.057 0.000 0.985 54 E CA 0.585 57.002 56.400 0.028 0.000 0.801 54 E CB -0.260 29.488 29.700 0.081 0.000 0.750 54 E HN 0.390 nan 8.360 nan 0.000 0.452 58 W N 0.662 121.930 121.300 -0.053 0.000 3.063 58 W HA 0.223 4.884 4.660 0.001 0.000 0.246 58 W C 1.037 177.538 176.519 -0.030 0.000 1.145 58 W CA 0.189 57.511 57.345 -0.039 0.000 1.510 58 W CB 0.651 30.090 29.460 -0.035 0.000 0.904 58 W HN -0.216 nan 8.180 nan 0.000 0.679 59 T N 0.852 115.535 114.554 0.215 0.000 2.910 59 T HA 0.026 4.377 4.350 0.001 0.000 0.293 59 T C 0.692 175.441 174.700 0.081 0.000 1.015 59 T CA -0.061 62.118 62.100 0.132 0.000 1.094 59 T CB 0.902 69.824 68.868 0.091 0.000 0.968 59 T HN -0.094 nan 8.240 nan 0.000 0.521 60 D N 2.357 122.802 120.400 0.074 0.000 2.347 60 D HA 0.051 4.692 4.640 0.001 0.000 0.215 60 D C 0.602 176.929 176.300 0.045 0.000 0.976 60 D CA 0.372 54.404 54.000 0.053 0.000 0.884 60 D CB -0.042 40.788 40.800 0.050 0.000 0.915 60 D HN 0.283 nan 8.370 nan 0.000 0.526 61 V N 2.204 122.149 119.914 0.053 0.000 2.521 61 V HA 0.044 4.164 4.120 0.001 0.000 0.286 61 V C 0.885 177.002 176.094 0.038 0.000 1.034 61 V CA -0.559 61.776 62.300 0.059 0.000 1.045 61 V CB 0.958 32.838 31.823 0.095 0.000 0.974 61 V HN 0.147 nan 8.190 nan 0.000 0.480 62 S N 4.853 120.578 115.700 0.042 0.000 2.579 62 S HA 0.182 4.653 4.470 0.001 0.000 0.275 62 S C 1.017 175.632 174.600 0.024 0.000 1.345 62 S CA -0.440 57.779 58.200 0.032 0.000 1.031 62 S CB 0.823 64.053 63.200 0.049 0.000 0.892 62 S HN 0.604 nan 8.310 nan 0.000 0.529 63 I N 1.086 121.651 120.570 -0.010 0.000 2.361 63 I HA -0.080 4.090 4.170 0.001 0.000 0.251 63 I C 1.979 178.119 176.117 0.039 0.000 1.133 63 I CA 1.561 62.812 61.300 -0.082 0.000 1.413 63 I CB -0.722 37.238 38.000 -0.067 0.000 1.073 63 I HN 0.781 nan 8.210 nan 0.000 0.424 64 E N 0.889 121.168 120.200 0.131 0.000 2.017 64 E HA -0.144 4.207 4.350 0.001 0.000 0.193 64 E C 2.310 179.010 176.600 0.167 0.000 0.997 64 E CA 1.766 58.282 56.400 0.193 0.000 0.804 64 E CB -0.822 28.962 29.700 0.141 0.000 0.757 64 E HN 0.546 nan 8.360 nan 0.000 0.448 65 A N 0.137 123.025 122.820 0.113 0.000 1.940 65 A HA -0.193 4.128 4.320 0.001 0.000 0.219 65 A C 2.150 179.782 177.584 0.080 0.000 1.176 65 A CA 1.416 53.506 52.037 0.090 0.000 0.631 65 A CB -0.863 18.179 19.000 0.070 0.000 0.814 65 A HN 0.341 nan 8.150 nan 0.000 0.446 66 F N -0.861 119.032 119.950 -0.095 0.000 2.102 66 F HA -0.185 4.342 4.527 0.001 0.000 0.298 66 F C 1.981 177.700 175.800 -0.135 0.000 1.105 66 F CA 1.828 59.710 58.000 -0.198 0.000 1.239 66 F CB -0.412 38.342 39.000 -0.410 0.000 0.991 66 F HN 0.409 nan 8.300 nan 0.000 0.474 67 W N 0.738 122.134 121.300 0.161 0.000 2.465 67 W HA 0.145 4.806 4.660 0.001 0.000 0.268 67 W C 1.662 178.162 176.519 -0.033 0.000 1.242 67 W CA 0.118 57.492 57.345 0.049 0.000 1.248 67 W CB -0.718 28.819 29.460 0.127 0.000 1.118 67 W HN 0.062 nan 8.180 nan 0.000 0.587 71 K N 1.145 121.511 120.400 -0.056 0.000 2.044 71 K HA -0.077 4.243 4.320 0.001 0.000 0.210 71 K C 2.236 178.801 176.600 -0.059 0.000 1.049 71 K CA 2.249 58.507 56.287 -0.048 0.000 0.927 71 K CB -0.414 32.066 32.500 -0.034 0.000 0.713 71 K HN 0.622 nan 8.250 nan 0.000 0.443 72 R N 0.494 120.958 120.500 -0.061 0.000 2.096 72 R HA -0.096 4.244 4.340 0.001 0.000 0.235 72 R C 1.867 178.136 176.300 -0.051 0.000 1.127 72 R CA 1.841 57.905 56.100 -0.060 0.000 0.968 72 R CB -0.062 30.202 30.300 -0.059 0.000 0.861 72 R HN 0.318 nan 8.270 nan 0.000 0.440 73 E N -0.073 120.091 120.200 -0.061 0.000 2.072 73 E HA -0.217 4.134 4.350 0.001 0.000 0.191 73 E C 2.155 178.719 176.600 -0.060 0.000 0.985 73 E CA 1.385 57.751 56.400 -0.055 0.000 0.801 73 E CB 0.024 29.683 29.700 -0.069 0.000 0.750 73 E HN 0.491 nan 8.360 nan 0.000 0.452 74 Q N 0.418 120.134 119.800 -0.139 0.000 2.020 74 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 74 Q C 2.335 178.385 176.000 0.083 0.000 0.982 74 Q CA 1.374 57.074 55.803 -0.172 0.000 0.838 74 Q CB -0.246 28.243 28.738 -0.415 0.000 0.899 74 Q HN 0.238 nan 8.270 nan 0.000 0.423 75 A N 1.647 124.500 122.820 0.055 0.000 1.892 75 A HA -0.279 4.042 4.320 0.001 0.000 0.218 75 A C 1.675 179.329 177.584 0.115 0.000 1.188 75 A CA 2.070 54.160 52.037 0.088 0.000 0.631 75 A CB -0.715 18.288 19.000 0.004 0.000 0.822 75 A HN 0.276 nan 8.150 nan 0.000 0.447 76 D N -0.653 119.786 120.400 0.064 0.000 2.123 76 D HA -0.142 4.499 4.640 0.001 0.000 0.196 76 D C 1.844 178.250 176.300 0.177 0.000 0.992 76 D CA 1.443 55.498 54.000 0.092 0.000 0.833 76 D CB -0.418 40.404 40.800 0.037 0.000 0.954 76 D HN 0.374 nan 8.370 nan 0.000 0.455 77 L N 0.505 121.824 121.223 0.159 0.000 2.027 77 L HA -0.062 4.279 4.340 0.001 0.000 0.206 77 L C 2.138 179.144 176.870 0.227 0.000 1.074 77 L CA 1.290 56.239 54.840 0.182 0.000 0.745 77 L CB -0.350 41.824 42.059 0.190 0.000 0.898 77 L HN -0.003 nan 8.230 nan 0.000 0.433 78 I N -1.581 119.156 120.570 0.277 0.000 2.226 78 I HA -0.340 3.831 4.170 0.001 0.000 0.245 78 I C 2.382 178.730 176.117 0.386 0.000 1.100 78 I CA 1.630 63.116 61.300 0.310 0.000 1.374 78 I CB -0.569 37.631 38.000 0.334 0.000 1.057 78 I HN 0.577 nan 8.210 nan 0.000 0.413 79 W N 2.179 123.555 121.300 0.125 0.000 2.333 79 W HA -0.314 4.347 4.660 0.001 0.000 0.316 79 W C 2.463 179.077 176.519 0.158 0.000 1.215 79 W CA 2.264 59.642 57.345 0.055 0.000 1.278 79 W CB -0.136 29.272 29.460 -0.086 0.000 1.154 79 W HN 0.175 nan 8.180 nan 0.000 0.486 80 E N 0.564 120.909 120.200 0.242 0.000 2.051 80 E HA -0.228 4.122 4.350 0.001 0.000 0.192 80 E C 1.993 178.596 176.600 0.005 0.000 0.991 80 E CA 1.965 58.421 56.400 0.094 0.000 0.799 80 E CB -0.476 29.296 29.700 0.119 0.000 0.748 80 E HN 0.152 nan 8.360 nan 0.000 0.449 81 E N -0.231 119.998 120.200 0.048 0.000 2.107 81 E HA -0.061 4.290 4.350 0.001 0.000 0.191 81 E C 2.088 178.599 176.600 -0.148 0.000 0.982 81 E CA 0.833 57.210 56.400 -0.038 0.000 0.809 81 E CB 0.056 29.790 29.700 0.058 0.000 0.756 81 E HN 0.380 nan 8.360 nan 0.000 0.459 82 L N -1.220 119.992 121.223 -0.018 0.000 2.556 82 L HA 0.144 4.485 4.340 0.001 0.000 0.226 82 L C 1.559 178.215 176.870 -0.356 0.000 1.089 82 L CA 0.109 54.866 54.840 -0.138 0.000 0.864 82 L CB 0.144 42.195 42.059 -0.013 0.000 1.067 82 L HN 0.004 nan 8.230 nan 0.000 0.477 83 F N -1.085 118.655 119.950 -0.349 0.000 2.592 83 F HA 0.161 4.689 4.527 0.001 0.000 0.280 83 F C 2.028 177.548 175.800 -0.466 0.000 1.083 83 F CA 0.230 57.924 58.000 -0.511 0.000 1.365 83 F CB 0.261 38.654 39.000 -1.011 0.000 1.100 83 F HN -0.185 nan 8.300 nan 0.000 0.633 84 I N -0.009 120.417 120.570 -0.240 0.000 2.729 84 I HA -0.011 4.160 4.170 0.001 0.000 0.256 84 I C 1.758 177.775 176.117 -0.166 0.000 1.115 84 I CA 1.054 62.241 61.300 -0.189 0.000 1.446 84 I CB -1.009 36.910 38.000 -0.135 0.000 1.176 84 I HN 0.063 nan 8.210 nan 0.000 0.446 85 K N 0.602 120.884 120.400 -0.198 0.000 2.305 85 K HA 0.038 4.359 4.320 0.001 0.000 0.199 85 K C 0.162 176.563 176.600 -0.333 0.000 1.047 85 K CA 0.493 56.636 56.287 -0.240 0.000 0.976 85 K CB 0.300 32.648 32.500 -0.253 0.000 0.765 85 K HN 0.160 nan 8.250 nan 0.000 0.474 86 R N -0.601 119.677 120.500 -0.370 0.000 2.808 86 R HA 0.282 4.622 4.340 0.001 0.000 0.272 86 R C -1.030 175.107 176.300 -0.271 0.000 0.995 86 R CA -0.540 55.347 56.100 -0.355 0.000 0.917 86 R CB 1.879 31.877 30.300 -0.504 0.000 1.217 86 R HN -0.162 nan 8.270 nan 0.000 0.471 87 S N 3.088 118.665 115.700 -0.204 0.000 2.564 87 S HA 0.200 4.671 4.470 0.001 0.000 0.278 87 S C -1.970 172.479 174.600 -0.251 0.000 1.333 87 S CA -0.741 57.346 58.200 -0.188 0.000 1.048 87 S CB 0.681 63.808 63.200 -0.122 0.000 0.900 87 S HN 0.443 nan 8.310 nan 0.000 0.505 88 P HA 0.095 nan 4.420 nan 0.000 0.226 88 P C 0.760 177.882 177.300 -0.297 0.000 1.783 88 P CA -0.138 62.646 63.100 -0.526 0.000 0.980 88 P CB -0.521 30.664 31.700 -0.858 0.000 1.967 89 V N -1.007 118.795 119.914 -0.187 0.000 3.406 89 V HA 0.011 4.131 4.120 0.001 0.000 0.263 89 V C 1.163 177.214 176.094 -0.071 0.000 1.172 89 V CA 0.458 62.696 62.300 -0.104 0.000 1.140 89 V CB -1.307 30.476 31.823 -0.066 0.000 0.784 89 V HN 0.368 nan 8.190 nan 0.000 0.467 90 S N 0.598 116.252 115.700 -0.075 0.000 2.576 90 S HA 0.105 4.576 4.470 0.001 0.000 0.272 90 S C 1.097 175.699 174.600 0.003 0.000 1.352 90 S CA 0.612 58.801 58.200 -0.018 0.000 1.021 90 S CB 1.320 64.522 63.200 0.004 0.000 0.887 90 S HN 0.525 nan 8.310 nan 0.000 0.542 91 E N 2.376 122.616 120.200 0.066 0.000 2.085 91 E HA -0.128 4.223 4.350 0.001 0.000 0.194 91 E C 2.042 178.708 176.600 0.109 0.000 0.994 91 E CA 1.971 58.443 56.400 0.119 0.000 0.801 91 E CB -0.943 28.875 29.700 0.195 0.000 0.743 91 E HN 0.827 nan 8.360 nan 0.000 0.453 92 A N -0.206 122.701 122.820 0.145 0.000 1.902 92 A HA -0.177 4.144 4.320 0.001 0.000 0.217 92 A C 2.584 180.177 177.584 0.015 0.000 1.181 92 A CA 1.495 53.615 52.037 0.138 0.000 0.623 92 A CB -0.962 18.209 19.000 0.286 0.000 0.818 92 A HN 0.512 nan 8.150 nan 0.000 0.443 93 C N -1.282 118.010 119.300 -0.014 0.000 2.476 93 C HA -0.012 4.449 4.460 0.001 0.000 0.278 93 C C 2.763 177.729 174.990 -0.040 0.000 1.274 93 C CA 0.951 59.911 59.018 -0.097 0.000 1.713 93 C CB -1.194 26.226 27.740 -0.533 0.000 2.039 93 C HN 0.720 nan 8.230 nan 0.000 0.484 94 R N 1.090 121.550 120.500 -0.067 0.000 2.119 94 R HA -0.162 4.178 4.340 0.001 0.000 0.246 94 R C 2.207 178.508 176.300 0.001 0.000 1.146 94 R CA 2.207 58.308 56.100 0.002 0.000 0.962 94 R CB -0.794 29.512 30.300 0.009 0.000 0.863 94 R HN 0.580 nan 8.270 nan 0.000 0.442 95 G N 0.030 108.662 108.800 -0.281 0.000 2.422 95 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 95 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 95 G C 1.458 176.017 174.900 -0.569 0.000 1.146 95 G CA 0.853 45.281 45.100 -1.120 0.000 0.769 95 G HN 0.247 nan 8.290 nan 0.000 0.547 96 V N 1.082 120.871 119.914 -0.210 0.000 2.332 96 V HA -0.172 3.949 4.120 0.001 0.000 0.248 96 V C 2.917 179.059 176.094 0.079 0.000 1.055 96 V CA 1.622 63.952 62.300 0.051 0.000 1.038 96 V CB -0.442 31.541 31.823 0.268 0.000 0.651 96 V HN 0.366 nan 8.190 nan 0.000 0.450 97 L N -0.536 120.765 121.223 0.129 0.000 2.093 97 L HA -0.142 4.199 4.340 0.001 0.000 0.208 97 L C 2.608 179.504 176.870 0.044 0.000 1.085 97 L CA 1.793 56.698 54.840 0.108 0.000 0.755 97 L CB -1.107 41.043 42.059 0.152 0.000 0.904 97 L HN 0.331 nan 8.230 nan 0.000 0.435 98 T N -0.822 113.770 114.554 0.064 0.000 2.788 98 T HA -0.190 4.161 4.350 0.001 0.000 0.268 98 T C 2.084 176.795 174.700 0.018 0.000 1.044 98 T CA 1.521 63.656 62.100 0.059 0.000 1.139 98 T CB -0.381 68.596 68.868 0.180 0.000 0.867 98 T HN 0.395 nan 8.240 nan 0.000 0.454 99 C N 0.996 120.326 119.300 0.050 0.000 2.436 99 C HA 0.036 4.497 4.460 0.001 0.000 0.277 99 C C 2.695 177.678 174.990 -0.012 0.000 1.241 99 C CA 0.335 59.388 59.018 0.058 0.000 1.721 99 C CB -1.441 26.367 27.740 0.114 0.000 2.043 99 C HN 0.504 nan 8.230 nan 0.000 0.472 100 L N 0.395 121.582 121.223 -0.060 0.000 2.012 100 L HA -0.249 4.092 4.340 0.001 0.000 0.210 100 L C 2.827 179.578 176.870 -0.199 0.000 1.073 100 L CA 1.782 56.506 54.840 -0.193 0.000 0.748 100 L CB -0.837 41.004 42.059 -0.363 0.000 0.891 100 L HN 0.477 nan 8.230 nan 0.000 0.431 101 Q N -0.032 119.691 119.800 -0.127 0.000 2.061 101 Q HA -0.197 4.144 4.340 0.001 0.000 0.204 101 Q C 2.165 178.106 176.000 -0.099 0.000 0.984 101 Q CA 1.822 57.565 55.803 -0.099 0.000 0.846 101 Q CB -0.298 28.401 28.738 -0.064 0.000 0.902 101 Q HN 0.555 nan 8.270 nan 0.000 0.421 102 G N 0.684 109.432 108.800 -0.087 0.000 2.432 102 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 102 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 102 G C 1.268 176.123 174.900 -0.075 0.000 1.135 102 G CA 0.451 45.509 45.100 -0.069 0.000 0.767 102 G HN 0.322 nan 8.290 nan 0.000 0.550 103 L N 0.200 121.344 121.223 -0.133 0.000 2.552 103 L HA 0.210 4.551 4.340 0.001 0.000 0.227 103 L C 2.080 178.793 176.870 -0.261 0.000 1.146 103 L CA 0.499 55.198 54.840 -0.235 0.000 0.858 103 L CB -0.057 41.726 42.059 -0.460 0.000 0.969 103 L HN 0.390 nan 8.230 nan 0.000 0.451 104 G N 0.217 108.912 108.800 -0.174 0.000 2.141 104 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 104 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 104 G C 0.162 174.984 174.900 -0.130 0.000 0.982 104 G CA -0.237 44.794 45.100 -0.116 0.000 0.662 104 G HN 0.212 nan 8.290 nan 0.000 0.527 105 L N 0.358 121.454 121.223 -0.211 0.000 2.399 105 L HA 0.555 4.896 4.340 0.001 0.000 0.266 105 L C 0.106 176.922 176.870 -0.090 0.000 1.114 105 L CA -0.741 54.007 54.840 -0.154 0.000 0.804 105 L CB 0.958 42.834 42.059 -0.305 0.000 1.146 105 L HN 0.087 nan 8.230 nan 0.000 0.451 106 D N 2.097 122.531 120.400 0.058 0.000 2.454 106 D HA 0.263 4.904 4.640 0.001 0.000 0.225 106 D C -1.865 174.536 176.300 0.167 0.000 1.081 106 D CA -2.065 51.987 54.000 0.086 0.000 0.864 106 D CB 1.664 42.527 40.800 0.106 0.000 1.040 106 D HN 0.115 nan 8.370 nan 0.000 0.517 107 P HA -0.053 nan 4.420 nan 0.000 0.225 107 P C 0.985 178.425 177.300 0.234 0.000 1.148 107 P CA 0.681 63.884 63.100 0.171 0.000 0.779 107 P CB 0.273 32.029 31.700 0.094 0.000 0.780 108 A N -0.101 122.816 122.820 0.162 0.000 1.972 108 A HA -0.189 4.131 4.320 0.001 0.000 0.219 108 A C 2.183 179.858 177.584 0.152 0.000 1.169 108 A CA 2.376 54.493 52.037 0.132 0.000 0.635 108 A CB -1.826 17.227 19.000 0.089 0.000 0.810 108 A HN 0.357 nan 8.150 nan 0.000 0.446 109 T N -4.114 110.551 114.554 0.185 0.000 3.023 109 T HA 0.032 4.382 4.350 0.001 0.000 0.266 109 T C 0.952 175.750 174.700 0.163 0.000 1.093 109 T CA 0.615 62.798 62.100 0.138 0.000 1.129 109 T CB -0.316 68.610 68.868 0.098 0.000 0.899 109 T HN 0.570 nan 8.240 nan 0.000 0.491 110 R N 0.899 121.587 120.500 0.314 0.000 3.758 110 R HA -0.128 4.213 4.340 0.001 0.000 0.299 110 R C -0.832 175.558 176.300 0.150 0.000 1.182 110 R CA 0.820 57.189 56.100 0.449 0.000 0.809 110 R CB -2.101 28.422 30.300 0.372 0.000 1.249 110 R HN 0.428 nan 8.270 nan 0.000 0.497 111 D N 0.936 121.168 120.400 -0.281 0.000 2.522 111 D HA 0.071 4.712 4.640 0.001 0.000 0.218 111 D C 0.995 176.630 176.300 -1.108 0.000 1.149 111 D CA -0.252 53.430 54.000 -0.531 0.000 0.981 111 D CB 0.686 41.262 40.800 -0.374 0.000 1.041 111 D HN 0.060 nan 8.370 nan 0.000 0.518 112 L N 3.127 123.841 121.223 -0.848 0.000 2.079 112 L HA -0.173 4.167 4.340 0.001 0.000 0.210 112 L C 1.900 178.466 176.870 -0.507 0.000 1.081 112 L CA 1.739 56.071 54.840 -0.848 0.000 0.752 112 L CB -0.184 41.300 42.059 -0.958 0.000 0.896 112 L HN 0.308 nan 8.230 nan 0.000 0.433 113 Q N -0.993 118.580 119.800 -0.378 0.000 2.119 113 Q HA -0.084 4.257 4.340 0.001 0.000 0.201 113 Q C 2.397 178.293 176.000 -0.173 0.000 0.972 113 Q CA 1.559 57.232 55.803 -0.217 0.000 0.847 113 Q CB -0.723 27.920 28.738 -0.158 0.000 0.903 113 Q HN 0.440 nan 8.270 nan 0.000 0.433 114 V N 0.430 120.188 119.914 -0.259 0.000 2.379 114 V HA -0.226 3.895 4.120 0.001 0.000 0.245 114 V C 1.902 177.983 176.094 -0.023 0.000 1.044 114 V CA 1.353 63.563 62.300 -0.150 0.000 1.036 114 V CB -0.669 31.052 31.823 -0.170 0.000 0.664 114 V HN 0.225 nan 8.190 nan 0.000 0.453 115 Y N 0.917 121.202 120.300 -0.025 0.000 2.165 115 Y HA -0.189 4.362 4.550 0.001 0.000 0.286 115 Y C 2.609 178.628 175.900 0.199 0.000 1.155 115 Y CA 1.024 59.146 58.100 0.037 0.000 1.164 115 Y CB -1.079 37.383 38.460 0.004 0.000 0.978 115 Y HN 0.179 nan 8.280 nan 0.000 0.513 116 R N 0.300 120.950 120.500 0.249 0.000 2.105 116 R HA -0.173 4.168 4.340 0.001 0.000 0.239 116 R C 2.087 178.531 176.300 0.239 0.000 1.135 116 R CA 1.628 57.882 56.100 0.257 0.000 0.967 116 R CB -0.348 29.985 30.300 0.055 0.000 0.861 116 R HN 0.462 nan 8.270 nan 0.000 0.442 117 E N -0.505 119.774 120.200 0.132 0.000 2.160 117 E HA -0.254 4.097 4.350 0.001 0.000 0.195 117 E C 1.553 178.209 176.600 0.095 0.000 0.991 117 E CA 1.234 57.685 56.400 0.086 0.000 0.810 117 E CB -0.147 29.579 29.700 0.043 0.000 0.742 117 E HN 0.397 nan 8.360 nan 0.000 0.466 118 Y N 0.164 120.438 120.300 -0.043 0.000 2.145 118 Y HA -0.248 4.303 4.550 0.001 0.000 0.286 118 Y C 1.633 177.427 175.900 -0.176 0.000 1.145 118 Y CA 1.635 59.619 58.100 -0.193 0.000 1.148 118 Y CB -0.231 37.983 38.460 -0.410 0.000 0.981 118 Y HN -0.047 nan 8.280 nan 0.000 0.507 119 F N -0.085 120.010 119.950 0.242 0.000 2.325 119 F HA 0.038 4.566 4.527 0.001 0.000 0.299 119 F C 2.530 178.369 175.800 0.064 0.000 1.090 119 F CA 0.832 58.952 58.000 0.199 0.000 1.392 119 F CB -0.986 38.106 39.000 0.154 0.000 1.053 119 F HN 0.127 nan 8.300 nan 0.000 0.521 120 A N 0.120 123.038 122.820 0.163 0.000 2.067 120 A HA -0.151 4.170 4.320 0.001 0.000 0.219 120 A C 2.054 179.671 177.584 0.055 0.000 1.158 120 A CA 1.202 53.283 52.037 0.075 0.000 0.661 120 A CB -0.589 18.437 19.000 0.044 0.000 0.801 120 A HN 0.343 nan 8.150 nan 0.000 0.452 121 K N -0.394 120.012 120.400 0.009 0.000 2.459 121 K HA 0.055 4.375 4.320 0.001 0.000 0.193 121 K C -0.098 176.495 176.600 -0.013 0.000 1.030 121 K CA 0.541 56.808 56.287 -0.033 0.000 1.026 121 K CB 0.148 32.581 32.500 -0.111 0.000 0.809 121 K HN 0.417 nan 8.250 nan 0.000 0.504 122 K N 0.564 121.009 120.400 0.075 0.000 2.340 122 K HA 0.200 4.521 4.320 0.001 0.000 0.244 122 K C -0.203 176.539 176.600 0.236 0.000 0.973 122 K CA -0.731 55.609 56.287 0.089 0.000 0.828 122 K CB 1.900 34.411 32.500 0.018 0.000 1.226 122 K HN -0.080 nan 8.250 nan 0.000 0.437 123 T N -2.016 112.589 114.554 0.085 0.000 2.902 123 T HA 0.130 4.481 4.350 0.001 0.000 0.280 123 T C 1.093 175.693 174.700 -0.166 0.000 0.992 123 T CA -0.652 61.497 62.100 0.082 0.000 1.015 123 T CB 1.356 70.233 68.868 0.015 0.000 1.044 123 T HN 0.394 nan 8.240 nan 0.000 0.520 124 S N 0.883 116.506 115.700 -0.128 0.000 2.359 124 S HA -0.142 4.329 4.470 0.001 0.000 0.224 124 S C 1.940 176.294 174.600 -0.410 0.000 1.035 124 S CA 1.658 59.564 58.200 -0.489 0.000 1.018 124 S CB -0.543 62.588 63.200 -0.114 0.000 0.876 124 S HN 0.846 nan 8.310 nan 0.000 0.448 125 E N 1.230 121.309 120.200 -0.203 0.000 2.110 125 E HA -0.111 4.240 4.350 0.001 0.000 0.193 125 E C 2.077 178.587 176.600 -0.151 0.000 0.988 125 E CA 1.068 57.381 56.400 -0.146 0.000 0.804 125 E CB -0.213 29.437 29.700 -0.083 0.000 0.745 125 E HN 0.587 nan 8.360 nan 0.000 0.458 126 E N 0.070 120.173 120.200 -0.162 0.000 2.077 126 E HA -0.241 4.110 4.350 0.001 0.000 0.193 126 E C 2.071 178.567 176.600 -0.174 0.000 0.989 126 E CA 1.149 57.467 56.400 -0.138 0.000 0.800 126 E CB -0.038 29.594 29.700 -0.114 0.000 0.746 126 E HN 0.083 nan 8.360 nan 0.000 0.452 127 Q N 0.706 120.310 119.800 -0.326 0.000 2.119 127 Q HA -0.111 4.230 4.340 0.001 0.000 0.201 127 Q C 2.049 177.931 176.000 -0.196 0.000 0.972 127 Q CA 1.080 56.696 55.803 -0.313 0.000 0.847 127 Q CB -0.071 28.236 28.738 -0.719 0.000 0.903 127 Q HN 0.104 nan 8.270 nan 0.000 0.433 128 V N 1.082 120.863 119.914 -0.222 0.000 2.343 128 V HA -0.256 3.865 4.120 0.001 0.000 0.247 128 V C 1.632 177.708 176.094 -0.030 0.000 1.051 128 V CA 2.111 64.366 62.300 -0.076 0.000 1.036 128 V CB -0.627 31.182 31.823 -0.024 0.000 0.654 128 V HN 0.394 nan 8.190 nan 0.000 0.451 129 D N -0.182 120.189 120.400 -0.048 0.000 2.097 129 D HA -0.136 4.505 4.640 0.001 0.000 0.195 129 D C 2.314 178.602 176.300 -0.020 0.000 0.989 129 D CA 1.881 55.864 54.000 -0.029 0.000 0.827 129 D CB -0.465 40.314 40.800 -0.036 0.000 0.966 129 D HN 0.387 nan 8.370 nan 0.000 0.456 130 T N 0.264 114.808 114.554 -0.018 0.000 2.674 130 T HA -0.092 4.259 4.350 0.001 0.000 0.265 130 T C 2.217 176.932 174.700 0.026 0.000 1.039 130 T CA 0.887 62.995 62.100 0.014 0.000 1.150 130 T CB -0.375 68.523 68.868 0.051 0.000 0.864 130 T HN -0.037 nan 8.240 nan 0.000 0.427 131 V N 1.332 121.264 119.914 0.030 0.000 2.358 131 V HA -0.049 4.072 4.120 0.001 0.000 0.246 131 V C 2.480 178.584 176.094 0.018 0.000 1.047 131 V CA 1.294 63.620 62.300 0.045 0.000 1.035 131 V CB -0.608 31.254 31.823 0.065 0.000 0.658 131 V HN 0.422 nan 8.190 nan 0.000 0.452 132 L N -0.393 120.827 121.223 -0.005 0.000 2.083 132 L HA -0.231 4.109 4.340 0.001 0.000 0.209 132 L C 2.618 179.461 176.870 -0.043 0.000 1.083 132 L CA 1.785 56.601 54.840 -0.039 0.000 0.752 132 L CB -0.530 41.492 42.059 -0.061 0.000 0.899 132 L HN 0.419 nan 8.230 nan 0.000 0.433 133 Q N 0.479 120.263 119.800 -0.027 0.000 2.020 133 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 133 Q C 2.373 178.364 176.000 -0.016 0.000 0.982 133 Q CA 1.532 57.320 55.803 -0.025 0.000 0.838 133 Q CB -0.040 28.689 28.738 -0.015 0.000 0.899 133 Q HN 0.498 nan 8.270 nan 0.000 0.423 134 L N -0.035 121.190 121.223 0.002 0.000 2.141 134 L HA -0.105 4.236 4.340 0.001 0.000 0.209 134 L C 2.324 179.207 176.870 0.021 0.000 1.094 134 L CA 0.941 55.789 54.840 0.013 0.000 0.763 134 L CB -0.398 41.675 42.059 0.024 0.000 0.908 134 L HN 0.246 nan 8.230 nan 0.000 0.437 135 A N -0.969 121.862 122.820 0.019 0.000 2.218 135 A HA -0.062 4.258 4.320 0.001 0.000 0.209 135 A C 1.003 178.553 177.584 -0.056 0.000 1.168 135 A CA 0.311 52.367 52.037 0.033 0.000 0.804 135 A CB -0.339 18.707 19.000 0.076 0.000 0.834 135 A HN 0.537 nan 8.150 nan 0.000 0.482 136 N N -0.913 117.740 118.700 -0.079 0.000 2.725 136 N HA -0.140 4.600 4.740 0.001 0.000 0.251 136 N C -0.912 174.469 175.510 -0.215 0.000 1.031 136 N CA 0.915 53.888 53.050 -0.128 0.000 0.720 136 N CB -1.625 36.787 38.487 -0.125 0.000 0.930 136 N HN 0.152 nan 8.380 nan 0.000 0.543 137 V N 1.312 121.102 119.914 -0.206 0.000 2.347 137 V HA 0.289 4.409 4.120 0.001 0.000 0.280 137 V C 1.445 177.431 176.094 -0.180 0.000 1.021 137 V CA 0.197 62.339 62.300 -0.263 0.000 0.847 137 V CB 1.464 33.129 31.823 -0.262 0.000 0.990 137 V HN 0.515 nan 8.190 nan 0.000 0.444 138 S N 2.582 118.192 115.700 -0.150 0.000 2.458 138 S HA 0.145 4.616 4.470 0.001 0.000 0.223 138 S C 0.198 174.756 174.600 -0.070 0.000 1.019 138 S CA 0.052 58.197 58.200 -0.093 0.000 0.937 138 S CB 0.123 63.291 63.200 -0.054 0.000 0.788 138 S HN 0.728 nan 8.310 nan 0.000 0.511 139 D N 0.059 120.432 120.400 -0.045 0.000 2.964 139 D HA 0.618 5.258 4.640 0.001 0.000 0.234 139 D C -1.732 174.543 176.300 -0.041 0.000 1.223 139 D CA -0.429 53.612 54.000 0.068 0.000 0.889 139 D CB 2.407 43.426 40.800 0.365 0.000 1.609 139 D HN 0.032 nan 8.370 nan 0.000 0.523 140 V N 2.483 122.308 119.914 -0.149 0.000 2.444 140 V HA 0.451 4.571 4.120 0.001 0.000 0.294 140 V C 0.157 176.231 176.094 -0.033 0.000 1.022 140 V CA -0.655 61.515 62.300 -0.216 0.000 0.850 140 V CB 1.625 33.101 31.823 -0.579 0.000 0.992 140 V HN 0.378 nan 8.190 nan 0.000 0.426 144 N N 2.245 121.029 118.700 0.139 0.000 2.446 144 N HA 0.486 5.227 4.740 0.001 0.000 0.265 144 N C -1.371 174.190 175.510 0.086 0.000 0.975 144 N CA -0.828 52.375 53.050 0.255 0.000 0.928 144 N CB 1.250 39.893 38.487 0.260 0.000 1.160 144 N HN 0.414 nan 8.380 nan 0.000 0.495 145 D N 2.746 123.236 120.400 0.150 0.000 2.460 145 D HA 0.225 4.866 4.640 0.001 0.000 0.232 145 D C -1.869 174.386 176.300 -0.075 0.000 1.079 145 D CA -2.451 51.610 54.000 0.101 0.000 0.864 145 D CB 1.483 42.424 40.800 0.235 0.000 1.048 145 D HN 0.277 nan 8.370 nan 0.000 0.523 146 P HA -0.022 nan 4.420 nan 0.000 0.234 146 P C 0.914 177.878 177.300 -0.560 0.000 1.167 146 P CA 0.449 62.978 63.100 -0.952 0.000 0.763 146 P CB -0.059 30.378 31.700 -2.105 0.000 0.835 147 F N -0.443 119.518 119.950 0.019 0.000 2.743 147 F HA 0.116 4.643 4.527 0.001 0.000 0.297 147 F C 1.195 177.105 175.800 0.182 0.000 1.131 147 F CA 0.023 58.157 58.000 0.223 0.000 1.426 147 F CB -0.308 38.818 39.000 0.210 0.000 1.116 147 F HN -0.127 nan 8.300 nan 0.000 0.583 148 D N 0.993 121.539 120.400 0.244 0.000 2.325 148 D HA -0.012 4.629 4.640 0.001 0.000 0.251 148 D C 0.504 176.889 176.300 0.142 0.000 1.196 148 D CA 0.116 54.229 54.000 0.188 0.000 0.866 148 D CB 0.927 41.829 40.800 0.170 0.000 1.101 148 D HN 0.089 nan 8.370 nan 0.000 0.476 149 D N 2.992 123.482 120.400 0.149 0.000 2.123 149 D HA -0.174 4.466 4.640 0.001 0.000 0.196 149 D C 1.450 177.790 176.300 0.067 0.000 0.992 149 D CA 0.934 55.010 54.000 0.126 0.000 0.833 149 D CB 0.123 41.000 40.800 0.129 0.000 0.954 149 D HN 0.452 nan 8.370 nan 0.000 0.455 150 N N 0.894 119.621 118.700 0.045 0.000 2.120 150 N HA -0.136 4.604 4.740 0.001 0.000 0.188 150 N C 1.632 177.112 175.510 -0.050 0.000 1.024 150 N CA 0.903 53.947 53.050 -0.009 0.000 0.852 150 N CB -0.199 38.277 38.487 -0.019 0.000 1.003 150 N HN 0.463 nan 8.380 nan 0.000 0.424 151 E N 0.644 120.837 120.200 -0.011 0.000 2.046 151 E HA -0.065 4.286 4.350 0.001 0.000 0.190 151 E C 2.078 178.744 176.600 0.110 0.000 0.982 151 E CA 0.332 56.740 56.400 0.012 0.000 0.800 151 E CB -0.076 29.708 29.700 0.139 0.000 0.756 151 E HN 0.251 nan 8.360 nan 0.000 0.449 152 R N 1.189 121.763 120.500 0.122 0.000 2.127 152 R HA -0.126 4.215 4.340 0.001 0.000 0.238 152 R C 2.360 178.752 176.300 0.155 0.000 1.134 152 R CA 0.796 57.001 56.100 0.175 0.000 0.975 152 R CB -0.247 30.078 30.300 0.043 0.000 0.865 152 R HN 0.224 nan 8.270 nan 0.000 0.447 153 I N 0.382 120.972 120.570 0.033 0.000 2.163 153 I HA -0.293 3.878 4.170 0.001 0.000 0.243 153 I C 1.473 177.525 176.117 -0.110 0.000 1.085 153 I CA 1.765 63.048 61.300 -0.028 0.000 1.347 153 I CB -0.087 37.881 38.000 -0.053 0.000 1.044 153 I HN 0.242 nan 8.210 nan 0.000 0.408 154 S N 0.168 115.706 115.700 -0.270 0.000 2.368 154 S HA -0.212 4.258 4.470 0.001 0.000 0.225 154 S C 1.413 175.727 174.600 -0.478 0.000 1.030 154 S CA 1.584 59.454 58.200 -0.550 0.000 0.999 154 S CB -0.547 61.974 63.200 -1.130 0.000 0.844 154 S HN 0.585 nan 8.310 nan 0.000 0.459 155 W N 1.762 122.951 121.300 -0.184 0.000 2.358 155 W HA 0.061 4.722 4.660 0.001 0.000 0.303 155 W C 1.996 178.475 176.519 -0.067 0.000 1.208 155 W CA 0.315 57.645 57.345 -0.026 0.000 1.274 155 W CB -0.492 29.110 29.460 0.238 0.000 1.138 155 W HN 0.208 nan 8.180 nan 0.000 0.515 156 L N -0.153 121.167 121.223 0.161 0.000 2.156 156 L HA -0.139 4.202 4.340 0.001 0.000 0.208 156 L C 2.001 178.853 176.870 -0.031 0.000 1.095 156 L CA 1.235 56.087 54.840 0.020 0.000 0.770 156 L CB -0.660 41.403 42.059 0.007 0.000 0.914 156 L HN 0.011 nan 8.230 nan 0.000 0.439 157 E N -0.169 119.995 120.200 -0.060 0.000 2.347 157 E HA -0.070 4.281 4.350 0.001 0.000 0.196 157 E C 1.321 177.874 176.600 -0.078 0.000 1.008 157 E CA 0.637 56.989 56.400 -0.080 0.000 0.852 157 E CB 0.089 29.721 29.700 -0.114 0.000 0.783 157 E HN 0.554 nan 8.360 nan 0.000 0.505 158 G N 1.311 110.068 108.800 -0.072 0.000 2.148 158 G HA2 -0.246 3.714 3.960 0.001 0.000 0.203 158 G HA3 -0.246 3.714 3.960 0.001 0.000 0.203 158 G C -0.144 174.710 174.900 -0.078 0.000 0.993 158 G CA -0.315 44.757 45.100 -0.047 0.000 0.661 158 G HN 0.099 nan 8.290 nan 0.000 0.518 159 K N 0.704 120.993 120.400 -0.185 0.000 2.412 159 K HA 0.399 4.720 4.320 0.001 0.000 0.281 159 K C 0.133 176.623 176.600 -0.183 0.000 1.027 159 K CA 0.152 56.302 56.287 -0.228 0.000 0.989 159 K CB 0.508 32.744 32.500 -0.440 0.000 0.935 159 K HN 0.133 nan 8.250 nan 0.000 0.475 160 Q N 3.027 122.803 119.800 -0.040 0.000 2.342 160 Q HA 0.367 4.708 4.340 0.001 0.000 0.267 160 Q C -2.320 173.718 176.000 0.063 0.000 1.038 160 Q CA -2.226 53.599 55.803 0.037 0.000 0.832 160 Q CB 1.622 30.402 28.738 0.069 0.000 1.323 160 Q HN 0.458 nan 8.270 nan 0.000 0.448 161 P HA -0.038 nan 4.420 nan 0.000 0.271 161 P C -0.088 177.193 177.300 -0.032 0.000 1.218 161 P CA -0.296 62.748 63.100 -0.093 0.000 0.780 161 P CB 0.691 32.317 31.700 -0.125 0.000 0.901 162 D N 1.575 121.940 120.400 -0.060 0.000 2.667 162 D HA -0.121 4.520 4.640 0.001 0.000 0.226 162 D C 1.223 177.551 176.300 0.048 0.000 1.137 162 D CA 0.710 54.722 54.000 0.020 0.000 0.855 162 D CB 0.740 41.571 40.800 0.052 0.000 1.194 162 D HN 0.364 nan 8.370 nan 0.000 0.492 163 S N 3.762 119.466 115.700 0.006 0.000 2.469 163 S HA -0.152 4.319 4.470 0.001 0.000 0.238 163 S C 1.567 176.082 174.600 -0.141 0.000 0.998 163 S CA 0.658 58.823 58.200 -0.058 0.000 0.957 163 S CB -0.065 63.115 63.200 -0.034 0.000 0.764 163 S HN 0.590 nan 8.310 nan 0.000 0.514 164 R N -0.576 119.886 120.500 -0.064 0.000 2.275 164 R HA 0.285 4.626 4.340 0.001 0.000 0.199 164 R C -0.675 175.392 176.300 -0.387 0.000 0.989 164 R CA 0.265 56.261 56.100 -0.174 0.000 1.016 164 R CB -0.026 30.177 30.300 -0.163 0.000 0.918 164 R HN 0.402 nan 8.270 nan 0.000 0.473 165 F N 0.637 120.408 119.950 -0.297 0.000 2.444 165 F HA 0.339 4.867 4.527 0.001 0.000 0.342 165 F C 0.541 176.137 175.800 -0.341 0.000 1.121 165 F CA -0.834 57.020 58.000 -0.243 0.000 0.997 165 F CB 1.140 40.017 39.000 -0.205 0.000 1.130 165 F HN -0.084 nan 8.300 nan 0.000 0.454 166 H N 1.459 120.640 119.070 0.184 0.000 2.569 166 H HA 0.695 5.252 4.556 0.001 0.000 0.357 166 H C -0.517 174.890 175.328 0.133 0.000 1.153 166 H CA -1.038 55.122 56.048 0.187 0.000 1.193 166 H CB 1.969 31.879 29.762 0.248 0.000 1.602 166 H HN 0.712 nan 8.280 nan 0.000 0.523 167 A N 1.425 124.395 122.820 0.251 0.000 2.316 167 A HA 0.651 4.971 4.320 0.001 0.000 0.284 167 A C -0.268 177.278 177.584 -0.064 0.000 1.115 167 A CA -0.192 51.932 52.037 0.144 0.000 0.812 167 A CB 0.330 19.417 19.000 0.144 0.000 1.064 167 A HN 0.767 nan 8.150 nan 0.000 0.489 168 A N 1.705 124.429 122.820 -0.161 0.000 2.381 168 A HA 0.564 4.885 4.320 0.001 0.000 0.299 168 A C -0.929 176.555 177.584 -0.167 0.000 1.049 168 A CA -0.522 51.300 52.037 -0.359 0.000 0.715 168 A CB 0.906 19.443 19.000 -0.773 0.000 1.222 168 A HN 1.470 nan 8.150 nan 0.000 0.428 169 L N 2.611 123.758 121.223 -0.126 0.000 2.325 169 L HA 0.426 4.767 4.340 0.001 0.000 0.284 169 L C 0.600 177.486 176.870 0.026 0.000 1.089 169 L CA 0.201 54.992 54.840 -0.081 0.000 0.836 169 L CB 0.217 42.227 42.059 -0.082 0.000 1.184 169 L HN 0.710 nan 8.230 nan 0.000 0.444 170 R N 5.239 125.771 120.500 0.053 0.000 2.254 170 R HA 0.381 4.721 4.340 0.001 0.000 0.318 170 R C -0.340 176.076 176.300 0.193 0.000 1.031 170 R CA -0.317 55.870 56.100 0.144 0.000 0.905 170 R CB 0.493 30.896 30.300 0.172 0.000 1.050 170 R HN 0.900 nan 8.270 nan 0.000 0.456 171 L N 3.835 125.182 121.223 0.206 0.000 2.959 171 L HA 0.187 4.528 4.340 0.001 0.000 0.259 171 L C 0.405 177.358 176.870 0.137 0.000 1.185 171 L CA -0.308 54.672 54.840 0.235 0.000 0.998 171 L CB 0.593 42.782 42.059 0.217 0.000 1.337 171 L HN 0.664 nan 8.230 nan 0.000 0.555 172 D N 1.400 121.868 120.400 0.113 0.000 2.116 172 D HA -0.164 4.476 4.640 0.001 0.000 0.193 172 D C -0.675 175.595 176.300 -0.049 0.000 0.998 172 D CA 1.515 55.550 54.000 0.059 0.000 0.836 172 D CB -1.143 39.712 40.800 0.091 0.000 0.951 172 D HN 0.231 nan 8.370 nan 0.000 0.449 173 P HA -0.097 nan 4.420 nan 0.000 0.217 173 P C 1.611 178.632 177.300 -0.465 0.000 1.150 173 P CA 0.606 63.443 63.100 -0.439 0.000 0.832 173 P CB 0.062 31.229 31.700 -0.888 0.000 0.787 174 L N -0.891 120.074 121.223 -0.430 0.000 2.005 174 L HA -0.109 4.231 4.340 0.001 0.000 0.207 174 L C 2.175 179.056 176.870 0.019 0.000 1.072 174 L CA 1.922 56.696 54.840 -0.109 0.000 0.744 174 L CB -1.276 40.847 42.059 0.107 0.000 0.895 174 L HN -0.139 nan 8.230 nan 0.000 0.433 175 L N -0.696 120.535 121.223 0.013 0.000 2.131 175 L HA -0.044 4.296 4.340 0.001 0.000 0.206 175 L C 1.629 178.516 176.870 0.028 0.000 1.087 175 L CA 0.767 55.620 54.840 0.021 0.000 0.767 175 L CB -0.612 41.487 42.059 0.068 0.000 0.917 175 L HN 0.370 nan 8.230 nan 0.000 0.441 176 N N -0.260 118.456 118.700 0.025 0.000 2.282 176 N HA 0.002 4.743 4.740 0.001 0.000 0.185 176 N C 0.387 175.911 175.510 0.024 0.000 1.099 176 N CA 0.456 53.529 53.050 0.038 0.000 0.878 176 N CB 0.538 39.054 38.487 0.050 0.000 0.993 176 N HN 0.396 nan 8.380 nan 0.000 0.481 177 E N -0.606 119.591 120.200 -0.005 0.000 3.306 177 E HA 0.072 4.422 4.350 0.001 0.000 0.197 177 E C -0.076 176.513 176.600 -0.018 0.000 0.980 177 E CA -0.259 56.129 56.400 -0.020 0.000 1.259 177 E CB 0.174 29.836 29.700 -0.064 0.000 1.112 177 E HN 0.131 nan 8.360 nan 0.000 0.458 178 Y N 2.440 122.676 120.300 -0.106 0.000 2.193 178 Y HA -0.255 4.296 4.550 0.001 0.000 0.285 178 Y C 2.040 177.881 175.900 -0.098 0.000 1.166 178 Y CA 1.737 59.770 58.100 -0.112 0.000 1.181 178 Y CB 0.341 38.740 38.460 -0.102 0.000 0.976 178 Y HN 0.062 nan 8.280 nan 0.000 0.520 179 E N 0.086 120.266 120.200 -0.033 0.000 2.118 179 E HA -0.250 4.101 4.350 0.001 0.000 0.195 179 E C 2.022 178.569 176.600 -0.088 0.000 0.992 179 E CA 1.693 58.047 56.400 -0.077 0.000 0.804 179 E CB -0.253 29.458 29.700 0.018 0.000 0.741 179 E HN 0.696 nan 8.360 nan 0.000 0.458 180 Q N -0.519 119.244 119.800 -0.062 0.000 2.165 180 Q HA 0.015 4.356 4.340 0.001 0.000 0.197 180 Q C 2.161 178.106 176.000 -0.093 0.000 0.952 180 Q CA 1.212 57.015 55.803 -0.001 0.000 0.848 180 Q CB 0.098 28.826 28.738 -0.017 0.000 0.931 180 Q HN 0.118 nan 8.270 nan 0.000 0.470 181 T N 1.948 116.375 114.554 -0.211 0.000 2.867 181 T HA -0.131 4.220 4.350 0.001 0.000 0.268 181 T C 1.634 176.119 174.700 -0.360 0.000 1.057 181 T CA 1.325 63.275 62.100 -0.250 0.000 1.136 181 T CB -0.115 68.577 68.868 -0.294 0.000 0.874 181 T HN 0.350 nan 8.240 nan 0.000 0.466 182 K N 0.864 120.858 120.400 -0.678 0.000 2.160 182 K HA -0.224 4.096 4.320 0.001 0.000 0.206 182 K C 1.707 178.001 176.600 -0.509 0.000 1.047 182 K CA 1.626 57.438 56.287 -0.791 0.000 0.930 182 K CB -0.510 31.275 32.500 -1.193 0.000 0.720 182 K HN 0.444 nan 8.250 nan 0.000 0.450 183 H N 1.057 119.971 119.070 -0.260 0.000 2.436 183 H HA 0.085 4.642 4.556 0.001 0.000 0.294 183 H C 2.179 177.357 175.328 -0.251 0.000 1.048 183 H CA 1.035 56.966 56.048 -0.195 0.000 1.353 183 H CB 0.037 29.705 29.762 -0.157 0.000 1.414 183 H HN 0.322 nan 8.280 nan 0.000 0.536 184 R N 0.372 120.719 120.500 -0.255 0.000 2.075 184 R HA -0.012 4.328 4.340 0.001 0.000 0.232 184 R C 2.548 178.377 176.300 -0.785 0.000 1.126 184 R CA 0.505 56.228 56.100 -0.628 0.000 0.963 184 R CB -0.197 29.690 30.300 -0.688 0.000 0.858 184 R HN 0.186 nan 8.270 nan 0.000 0.435 185 L N 0.576 121.584 121.223 -0.359 0.000 2.043 185 L HA -0.233 4.107 4.340 0.001 0.000 0.212 185 L C 2.601 179.584 176.870 0.189 0.000 1.075 185 L CA 1.705 56.570 54.840 0.042 0.000 0.752 185 L CB -0.448 41.607 42.059 -0.007 0.000 0.891 185 L HN 0.229 nan 8.230 nan 0.000 0.432 186 R N -0.130 120.384 120.500 0.023 0.000 2.081 186 R HA -0.206 4.135 4.340 0.001 0.000 0.235 186 R C 1.955 178.287 176.300 0.053 0.000 1.131 186 R CA 1.831 57.968 56.100 0.061 0.000 0.960 186 R CB -0.321 29.993 30.300 0.023 0.000 0.856 186 R HN 0.288 nan 8.270 nan 0.000 0.436 187 D N -0.709 119.660 120.400 -0.051 0.000 2.218 187 D HA -0.171 4.469 4.640 0.001 0.000 0.204 187 D C 0.846 177.215 176.300 0.115 0.000 0.976 187 D CA 0.822 54.796 54.000 -0.043 0.000 0.853 187 D CB 0.101 40.797 40.800 -0.173 0.000 0.939 187 D HN 0.244 nan 8.370 nan 0.000 0.481 188 W N -0.082 121.328 121.300 0.183 0.000 3.256 188 W HA 0.411 5.072 4.660 0.002 0.000 0.269 188 W C 1.564 178.095 176.519 0.019 0.000 1.310 188 W CA 0.747 58.210 57.345 0.196 0.000 1.673 188 W CB -0.459 29.258 29.460 0.428 0.000 1.115 188 W HN 0.176 nan 8.180 nan 0.000 0.686 189 G N -0.496 108.408 108.800 0.174 0.000 2.157 189 G HA2 -0.298 3.662 3.960 0.001 0.000 0.239 189 G HA3 -0.298 3.662 3.960 0.001 0.000 0.239 189 G C -0.390 174.431 174.900 -0.131 0.000 0.982 189 G CA -0.469 44.614 45.100 -0.028 0.000 0.650 189 G HN 0.217 nan 8.290 nan 0.000 0.527 190 Y N 0.797 121.219 120.300 0.203 0.000 2.425 190 Y HA 0.517 5.068 4.550 0.001 0.000 0.347 190 Y C 1.117 177.082 175.900 0.108 0.000 0.976 190 Y CA -0.448 57.759 58.100 0.178 0.000 1.190 190 Y CB 1.100 39.713 38.460 0.254 0.000 1.136 190 Y HN 0.012 nan 8.280 nan 0.000 0.517 191 K N 3.326 123.836 120.400 0.184 0.000 2.737 191 K HA 0.159 4.479 4.320 0.001 0.000 0.251 191 K C -0.470 176.187 176.600 0.095 0.000 1.280 191 K CA -0.366 55.985 56.287 0.106 0.000 1.219 191 K CB -0.357 32.180 32.500 0.062 0.000 1.587 191 K HN 0.524 nan 8.250 nan 0.000 0.279 192 V N -0.725 119.259 119.914 0.117 0.000 2.715 192 V HA 0.157 4.278 4.120 0.001 0.000 0.299 192 V C 0.320 176.454 176.094 0.066 0.000 1.054 192 V CA -0.839 61.523 62.300 0.103 0.000 1.077 192 V CB 0.663 32.591 31.823 0.176 0.000 0.972 192 V HN 0.307 nan 8.190 nan 0.000 0.484 193 N N 2.749 121.487 118.700 0.062 0.000 2.491 193 N HA 0.288 5.028 4.740 0.001 0.000 0.279 193 N C 0.565 176.128 175.510 0.088 0.000 1.236 193 N CA -0.561 52.522 53.050 0.055 0.000 0.982 193 N CB 0.948 39.453 38.487 0.031 0.000 1.194 193 N HN 0.736 nan 8.380 nan 0.000 0.582 194 D N 0.511 120.956 120.400 0.075 0.000 2.183 194 D HA -0.034 4.607 4.640 0.001 0.000 0.203 194 D C -0.182 176.200 176.300 0.136 0.000 0.969 194 D CA 1.184 55.238 54.000 0.090 0.000 0.842 194 D CB 0.356 41.199 40.800 0.071 0.000 0.957 194 D HN 0.509 nan 8.370 nan 0.000 0.484 195 E N -0.213 120.061 120.200 0.123 0.000 2.283 195 E HA 0.081 4.432 4.350 0.001 0.000 0.271 195 E C -0.180 176.547 176.600 0.211 0.000 1.031 195 E CA -0.628 55.862 56.400 0.150 0.000 0.868 195 E CB 1.421 31.176 29.700 0.092 0.000 1.094 195 E HN 0.143 nan 8.360 nan 0.000 0.401 196 W N 5.503 126.830 121.300 0.044 0.000 2.247 196 W HA 0.051 4.712 4.660 0.001 0.000 0.394 196 W C -0.890 175.644 176.519 0.026 0.000 0.939 196 W CA -0.390 56.974 57.345 0.031 0.000 1.548 196 W CB -0.215 29.247 29.460 0.002 0.000 1.610 196 W HN 0.625 nan 8.180 nan 0.000 0.336 197 N N 0.670 119.211 118.700 -0.265 0.000 2.815 197 N HA 0.124 4.865 4.740 0.001 0.000 0.315 197 N C 0.731 176.033 175.510 -0.346 0.000 1.320 197 N CA -0.563 52.357 53.050 -0.217 0.000 0.846 197 N CB 0.338 38.771 38.487 -0.090 0.000 1.344 197 N HN 0.328 nan 8.380 nan 0.000 0.593 198 E N -0.664 119.415 120.200 -0.200 0.000 2.085 198 E HA -0.151 4.200 4.350 0.001 0.000 0.194 198 E C 1.654 178.143 176.600 -0.185 0.000 0.994 198 E CA 1.619 57.913 56.400 -0.177 0.000 0.801 198 E CB -0.738 28.909 29.700 -0.087 0.000 0.743 198 E HN 0.738 nan 8.360 nan 0.000 0.453 199 G N 0.137 108.851 108.800 -0.143 0.000 2.459 199 G HA2 -0.302 3.658 3.960 0.001 0.000 0.217 199 G HA3 -0.302 3.658 3.960 0.001 0.000 0.217 199 G C 1.733 176.543 174.900 -0.150 0.000 1.183 199 G CA 1.068 46.106 45.100 -0.103 0.000 0.776 199 G HN 0.274 nan 8.290 nan 0.000 0.552 200 S N 0.520 116.062 115.700 -0.263 0.000 2.368 200 S HA -0.048 4.423 4.470 0.001 0.000 0.225 200 S C 2.279 176.553 174.600 -0.543 0.000 1.030 200 S CA 0.959 58.952 58.200 -0.346 0.000 0.999 200 S CB -0.220 62.726 63.200 -0.423 0.000 0.844 200 S HN 0.387 nan 8.310 nan 0.000 0.459 201 I N 1.714 121.834 120.570 -0.749 0.000 2.163 201 I HA -0.262 3.908 4.170 0.001 0.000 0.243 201 I C 2.719 178.745 176.117 -0.152 0.000 1.085 201 I CA 1.351 62.343 61.300 -0.513 0.000 1.347 201 I CB -0.407 37.361 38.000 -0.387 0.000 1.044 201 I HN 0.343 nan 8.210 nan 0.000 0.408 202 Q N 0.130 119.866 119.800 -0.106 0.000 2.119 202 Q HA -0.185 4.156 4.340 0.001 0.000 0.201 202 Q C 2.088 178.128 176.000 0.066 0.000 0.972 202 Q CA 1.036 56.836 55.803 -0.004 0.000 0.847 202 Q CB -0.067 28.668 28.738 -0.006 0.000 0.903 202 Q HN 0.479 nan 8.270 nan 0.000 0.433 203 E N 0.200 120.443 120.200 0.072 0.000 2.107 203 E HA -0.090 4.261 4.350 0.001 0.000 0.191 203 E C 2.180 178.927 176.600 0.245 0.000 0.982 203 E CA 0.657 57.179 56.400 0.204 0.000 0.809 203 E CB 0.049 29.874 29.700 0.208 0.000 0.756 203 E HN 0.153 nan 8.360 nan 0.000 0.459 204 V N 1.580 121.595 119.914 0.168 0.000 2.358 204 V HA -0.227 3.894 4.120 0.001 0.000 0.246 204 V C 2.253 178.478 176.094 0.218 0.000 1.047 204 V CA 1.574 63.997 62.300 0.206 0.000 1.035 204 V CB -0.344 31.641 31.823 0.270 0.000 0.658 204 V HN 0.183 nan 8.190 nan 0.000 0.452 205 K N -0.094 120.403 120.400 0.162 0.000 2.063 205 K HA -0.230 4.090 4.320 0.001 0.000 0.208 205 K C 2.386 179.073 176.600 0.146 0.000 1.048 205 K CA 1.775 58.142 56.287 0.133 0.000 0.928 205 K CB -0.265 32.294 32.500 0.097 0.000 0.713 205 K HN 0.285 nan 8.250 nan 0.000 0.442 206 R N 0.185 120.800 120.500 0.191 0.000 2.096 206 R HA -0.159 4.182 4.340 0.001 0.000 0.235 206 R C 2.139 178.599 176.300 0.268 0.000 1.127 206 R CA 1.367 57.608 56.100 0.235 0.000 0.968 206 R CB -0.278 30.212 30.300 0.316 0.000 0.861 206 R HN 0.181 nan 8.270 nan 0.000 0.440 207 F N 0.960 120.914 119.950 0.007 0.000 2.102 207 F HA -0.163 4.364 4.527 0.001 0.000 0.298 207 F C 1.692 177.511 175.800 0.033 0.000 1.105 207 F CA 1.479 59.324 58.000 -0.260 0.000 1.239 207 F CB -0.189 38.484 39.000 -0.545 0.000 0.991 207 F HN -0.022 nan 8.300 nan 0.000 0.474 208 L N -0.023 121.287 121.223 0.145 0.000 2.017 208 L HA -0.239 4.102 4.340 0.001 0.000 0.208 208 L C 2.672 179.487 176.870 -0.092 0.000 1.073 208 L CA 2.024 56.883 54.840 0.031 0.000 0.745 208 L CB -1.387 40.716 42.059 0.073 0.000 0.894 208 L HN 0.336 nan 8.230 nan 0.000 0.432 209 T N -4.097 110.415 114.554 -0.069 0.000 2.867 209 T HA -0.164 4.187 4.350 0.001 0.000 0.268 209 T C 1.471 176.087 174.700 -0.140 0.000 1.057 209 T CA 1.252 63.279 62.100 -0.123 0.000 1.136 209 T CB -0.349 68.502 68.868 -0.029 0.000 0.874 209 T HN 0.213 nan 8.240 nan 0.000 0.466 210 D N 0.572 120.876 120.400 -0.158 0.000 2.117 210 D HA -0.024 4.616 4.640 0.001 0.000 0.198 210 D C 1.550 177.549 176.300 -0.503 0.000 0.982 210 D CA 0.854 54.675 54.000 -0.300 0.000 0.828 210 D CB -0.415 40.194 40.800 -0.318 0.000 0.967 210 D HN 0.606 nan 8.370 nan 0.000 0.464 211 W N 0.919 121.974 121.300 -0.408 0.000 2.436 211 W HA 0.113 4.774 4.660 0.001 0.000 0.284 211 W C 2.294 178.603 176.519 -0.351 0.000 1.225 211 W CA -0.047 57.023 57.345 -0.459 0.000 1.271 211 W CB -0.298 28.779 29.460 -0.638 0.000 1.114 211 W HN -0.093 nan 8.180 nan 0.000 0.559 212 I N 0.113 120.607 120.570 -0.126 0.000 2.226 212 I HA -0.302 3.869 4.170 0.001 0.000 0.245 212 I C 2.428 178.479 176.117 -0.111 0.000 1.100 212 I CA 1.658 62.874 61.300 -0.141 0.000 1.374 212 I CB -0.457 37.394 38.000 -0.249 0.000 1.057 212 I HN 0.019 nan 8.210 nan 0.000 0.413 213 E N 0.685 120.808 120.200 -0.127 0.000 2.106 213 E HA -0.168 4.183 4.350 0.001 0.000 0.192 213 E C 1.444 177.983 176.600 -0.101 0.000 0.984 213 E CA 0.429 56.776 56.400 -0.089 0.000 0.806 213 E CB 0.275 29.919 29.700 -0.094 0.000 0.750 213 E HN 0.217 nan 8.360 nan 0.000 0.458 217 P HA 0.115 nan 4.420 nan 0.000 0.275 217 P C 1.373 178.665 177.300 -0.013 0.000 1.228 217 P CA -0.463 62.613 63.100 -0.041 0.000 0.786 217 P CB 1.546 33.188 31.700 -0.096 0.000 0.927 218 V N 0.119 120.010 119.914 -0.039 0.000 2.719 218 V HA 0.019 4.140 4.120 0.001 0.000 0.252 218 V C 0.588 176.712 176.094 0.050 0.000 1.065 218 V CA 1.069 63.380 62.300 0.017 0.000 1.086 218 V CB -1.793 30.085 31.823 0.093 0.000 0.700 218 V HN 0.662 nan 8.190 nan 0.000 0.467 222 V N 1.134 121.103 119.914 0.091 0.000 2.888 222 V HA 0.783 4.904 4.120 0.001 0.000 0.309 222 V C -0.427 175.634 176.094 -0.056 0.000 1.114 222 V CA -0.225 62.118 62.300 0.071 0.000 0.940 222 V CB 2.441 34.353 31.823 0.148 0.000 1.021 222 V HN 1.273 nan 8.190 nan 0.000 0.426 223 S N 6.258 121.970 115.700 0.021 0.000 2.508 223 S HA 0.800 5.271 4.470 0.001 0.000 0.284 223 S C -0.712 173.918 174.600 0.049 0.000 1.192 223 S CA -0.416 57.816 58.200 0.053 0.000 1.070 223 S CB 1.038 64.377 63.200 0.232 0.000 1.004 223 S HN 0.581 nan 8.310 nan 0.000 0.493 224 L N 4.136 125.374 121.223 0.026 0.000 2.388 224 L HA 0.593 4.934 4.340 0.001 0.000 0.264 224 L C -2.352 174.570 176.870 0.086 0.000 0.998 224 L CA -2.380 52.445 54.840 -0.025 0.000 0.817 224 L CB 2.582 44.439 42.059 -0.337 0.000 1.338 224 L HN 0.401 nan 8.230 nan 0.000 0.414 225 P HA 0.265 nan 4.420 nan 0.000 0.278 225 P C -2.480 174.896 177.300 0.127 0.000 1.266 225 P CA -1.681 61.491 63.100 0.120 0.000 0.807 225 P CB 0.506 32.276 31.700 0.116 0.000 1.094 226 P HA -0.104 nan 4.420 nan 0.000 0.219 226 P C 1.248 178.597 177.300 0.081 0.000 1.146 226 P CA 1.898 65.031 63.100 0.056 0.000 0.808 226 P CB -0.712 30.983 31.700 -0.009 0.000 0.779 227 T N -4.777 109.830 114.554 0.089 0.000 3.194 227 T HA 0.033 4.384 4.350 0.001 0.000 0.251 227 T C 0.325 175.093 174.700 0.113 0.000 1.132 227 T CA -0.494 61.650 62.100 0.074 0.000 1.028 227 T CB -1.295 67.605 68.868 0.052 0.000 0.976 227 T HN -0.120 nan 8.240 nan 0.000 0.535 228 F N 3.255 123.219 119.950 0.024 0.000 2.602 228 F HA 0.422 4.949 4.527 0.001 0.000 0.385 228 F C -0.078 175.745 175.800 0.038 0.000 1.063 228 F CA -0.470 57.553 58.000 0.037 0.000 1.233 228 F CB 0.189 39.213 39.000 0.041 0.000 1.067 228 F HN 0.030 nan 8.300 nan 0.000 0.564 229 S N 6.435 121.728 115.700 -0.679 0.000 2.570 229 S HA 0.739 5.209 4.470 0.001 0.000 0.286 229 S C -1.679 172.483 174.600 -0.731 0.000 1.099 229 S CA -0.549 57.281 58.200 -0.616 0.000 0.913 229 S CB 1.849 64.872 63.200 -0.295 0.000 1.085 229 S HN 0.578 nan 8.310 nan 0.000 0.480 230 F N 2.238 121.811 119.950 -0.627 0.000 2.622 230 F HA 0.499 5.027 4.527 0.001 0.000 0.318 230 F C -2.897 172.644 175.800 -0.431 0.000 1.135 230 F CA -1.506 56.231 58.000 -0.438 0.000 1.015 230 F CB 1.382 40.194 39.000 -0.313 0.000 1.275 230 F HN 0.352 nan 8.300 nan 0.000 0.457 231 P HA 0.264 nan 4.420 nan 0.000 0.271 231 P C -1.655 175.222 177.300 -0.704 0.000 1.233 231 P CA -0.029 62.266 63.100 -1.341 0.000 0.789 231 P CB 0.745 31.888 31.700 -0.928 0.000 0.951 232 E N 0.310 120.155 120.200 -0.592 0.000 2.354 232 E HA 0.125 4.476 4.350 0.001 0.000 0.283 232 E C -1.116 175.326 176.600 -0.265 0.000 0.938 232 E CA -0.538 55.663 56.400 -0.331 0.000 0.777 232 E CB 1.105 30.655 29.700 -0.250 0.000 1.222 232 E HN 0.217 nan 8.360 nan 0.000 0.423 233 E N 2.319 122.402 120.200 -0.195 0.000 1.932 233 E HA 0.218 4.569 4.350 0.001 0.000 0.275 233 E C -0.847 175.668 176.600 -0.142 0.000 1.159 233 E CA 0.126 56.431 56.400 -0.159 0.000 0.905 233 E CB 0.776 30.408 29.700 -0.114 0.000 1.059 233 E HN 0.518 nan 8.360 nan 0.000 0.400 234 S N 1.881 117.477 115.700 -0.173 0.000 2.615 234 S HA 0.327 4.798 4.470 0.001 0.000 0.269 234 S C 0.750 175.198 174.600 -0.252 0.000 1.161 234 S CA -0.877 57.230 58.200 -0.155 0.000 0.817 234 S CB 0.983 64.124 63.200 -0.098 0.000 1.131 234 S HN 0.149 nan 8.310 nan 0.000 0.467 235 N N 1.344 119.903 118.700 -0.234 0.000 2.036 235 N HA -0.174 4.566 4.740 0.001 0.000 0.195 235 N C 1.769 177.034 175.510 -0.410 0.000 1.037 235 N CA 2.005 54.819 53.050 -0.393 0.000 0.855 235 N CB -0.755 37.615 38.487 -0.195 0.000 1.033 235 N HN 0.733 nan 8.380 nan 0.000 0.423 236 R N 0.383 120.774 120.500 -0.182 0.000 2.073 236 R HA -0.082 4.259 4.340 0.001 0.000 0.234 236 R C 2.273 178.562 176.300 -0.018 0.000 1.134 236 R CA 1.805 57.866 56.100 -0.065 0.000 0.952 236 R CB -0.708 29.642 30.300 0.084 0.000 0.850 236 R HN 0.266 nan 8.270 nan 0.000 0.433 237 G N 0.232 109.017 108.800 -0.025 0.000 2.442 237 G HA2 -0.252 3.709 3.960 0.001 0.000 0.219 237 G HA3 -0.252 3.709 3.960 0.001 0.000 0.219 237 G C 1.425 176.298 174.900 -0.044 0.000 1.141 237 G CA 0.626 45.736 45.100 0.018 0.000 0.763 237 G HN 0.318 nan 8.290 nan 0.000 0.554 238 R N -0.411 119.928 120.500 -0.268 0.000 2.093 238 R HA 0.194 4.534 4.340 0.001 0.000 0.224 238 R C 2.564 178.702 176.300 -0.270 0.000 1.101 238 R CA 0.582 56.464 56.100 -0.364 0.000 0.979 238 R CB -0.259 29.527 30.300 -0.857 0.000 0.877 238 R HN 0.369 nan 8.270 nan 0.000 0.441 239 I N 0.734 121.059 120.570 -0.408 0.000 2.252 239 I HA -0.268 3.902 4.170 0.001 0.000 0.245 239 I C 2.201 178.307 176.117 -0.018 0.000 1.102 239 I CA 1.314 62.510 61.300 -0.173 0.000 1.385 239 I CB -0.179 37.671 38.000 -0.249 0.000 1.064 239 I HN 0.117 nan 8.210 nan 0.000 0.414 240 I N 0.343 120.918 120.570 0.009 0.000 2.142 240 I HA -0.308 3.863 4.170 0.001 0.000 0.240 240 I C 2.827 178.967 176.117 0.039 0.000 1.078 240 I CA 1.405 62.705 61.300 -0.000 0.000 1.343 240 I CB -0.437 37.634 38.000 0.118 0.000 1.046 240 I HN 0.205 nan 8.210 nan 0.000 0.405 241 R N 0.883 121.517 120.500 0.225 0.000 2.066 241 R HA -0.175 4.166 4.340 0.001 0.000 0.232 241 R C 1.642 178.061 176.300 0.199 0.000 1.131 241 R CA 2.022 58.287 56.100 0.276 0.000 0.955 241 R CB -0.078 30.416 30.300 0.324 0.000 0.851 241 R HN 0.299 nan 8.270 nan 0.000 0.432 242 D N -1.020 119.511 120.400 0.217 0.000 2.305 242 D HA 0.005 4.646 4.640 0.001 0.000 0.206 242 D C 1.414 177.830 176.300 0.193 0.000 0.974 242 D CA 0.679 54.828 54.000 0.249 0.000 0.871 242 D CB 0.336 41.386 40.800 0.417 0.000 0.947 242 D HN 0.307 nan 8.370 nan 0.000 0.516 243 C N -0.643 118.755 119.300 0.163 0.000 2.508 243 C HA 0.284 4.745 4.460 0.001 0.000 0.407 243 C C 2.489 177.493 174.990 0.025 0.000 1.494 243 C CA -0.443 58.648 59.018 0.121 0.000 2.531 243 C CB -0.518 27.333 27.740 0.185 0.000 2.480 243 C HN 0.194 nan 8.230 nan 0.000 0.614 244 L N 1.057 122.247 121.223 -0.055 0.000 2.005 244 L HA -0.041 4.299 4.340 0.001 0.000 0.207 244 L C 2.398 179.131 176.870 -0.228 0.000 1.072 244 L CA 1.658 56.382 54.840 -0.193 0.000 0.744 244 L CB -0.393 41.434 42.059 -0.387 0.000 0.895 244 L HN 0.349 nan 8.230 nan 0.000 0.433 245 L N -0.270 120.811 121.223 -0.238 0.000 2.017 245 L HA -0.155 4.186 4.340 0.001 0.000 0.208 245 L C -0.245 176.574 176.870 -0.085 0.000 1.073 245 L CA 1.325 56.025 54.840 -0.235 0.000 0.745 245 L CB -1.985 39.851 42.059 -0.370 0.000 0.894 245 L HN 0.268 nan 8.230 nan 0.000 0.432 246 P HA -0.120 nan 4.420 nan 0.000 0.217 246 P C 1.942 179.271 177.300 0.048 0.000 1.150 246 P CA 1.083 64.213 63.100 0.050 0.000 0.832 246 P CB 0.064 31.811 31.700 0.078 0.000 0.787 247 V N 0.191 120.122 119.914 0.028 0.000 2.358 247 V HA -0.213 3.907 4.120 0.001 0.000 0.246 247 V C 2.497 178.629 176.094 0.062 0.000 1.047 247 V CA 2.183 64.517 62.300 0.057 0.000 1.035 247 V CB -1.685 30.131 31.823 -0.011 0.000 0.658 247 V HN 0.092 nan 8.190 nan 0.000 0.452 248 A N -0.482 122.314 122.820 -0.040 0.000 1.933 248 A HA -0.270 4.051 4.320 0.001 0.000 0.218 248 A C 2.287 179.858 177.584 -0.021 0.000 1.175 248 A CA 2.014 54.016 52.037 -0.059 0.000 0.628 248 A CB -0.464 18.440 19.000 -0.161 0.000 0.814 248 A HN 0.635 nan 8.150 nan 0.000 0.444 249 E N -0.108 120.083 120.200 -0.015 0.000 2.047 249 E HA -0.237 4.114 4.350 0.001 0.000 0.191 249 E C 2.073 178.683 176.600 0.016 0.000 0.987 249 E CA 1.442 57.841 56.400 -0.002 0.000 0.799 249 E CB -0.163 29.555 29.700 0.030 0.000 0.752 249 E HN 0.609 nan 8.360 nan 0.000 0.449 250 K N -0.457 119.973 120.400 0.050 0.000 2.063 250 K HA -0.209 4.112 4.320 0.001 0.000 0.208 250 K C 1.594 178.135 176.600 -0.098 0.000 1.048 250 K CA 1.969 58.256 56.287 -0.000 0.000 0.928 250 K CB -0.124 32.402 32.500 0.044 0.000 0.713 250 K HN 0.239 nan 8.250 nan 0.000 0.442 251 H N -0.660 118.391 119.070 -0.032 0.000 2.539 251 H HA 0.146 4.703 4.556 0.001 0.000 0.269 251 H C -0.089 175.211 175.328 -0.047 0.000 0.980 251 H CA 0.507 56.535 56.048 -0.034 0.000 1.152 251 H CB 0.276 30.020 29.762 -0.030 0.000 1.407 251 H HN 0.308 nan 8.280 nan 0.000 0.564 252 N N 0.661 119.379 118.700 0.029 0.000 2.727 252 N HA -0.179 4.562 4.740 0.001 0.000 0.251 252 N C -1.328 174.154 175.510 -0.048 0.000 1.040 252 N CA 0.286 53.314 53.050 -0.037 0.000 0.712 252 N CB -1.394 37.061 38.487 -0.054 0.000 0.912 252 N HN 0.407 nan 8.380 nan 0.000 0.545 253 I N 0.641 121.190 120.570 -0.035 0.000 2.389 253 I HA 0.391 4.562 4.170 0.001 0.000 0.288 253 I C -1.929 174.147 176.117 -0.067 0.000 0.999 253 I CA -2.089 59.192 61.300 -0.031 0.000 1.129 253 I CB 1.803 39.803 38.000 0.000 0.000 1.288 253 I HN -0.003 nan 8.210 nan 0.000 0.444 254 P HA 0.015 nan 4.420 nan 0.000 0.270 254 P C -0.892 176.446 177.300 0.064 0.000 1.223 254 P CA -0.098 62.960 63.100 -0.071 0.000 0.785 254 P CB 0.434 32.123 31.700 -0.017 0.000 0.923 255 F N 1.869 121.685 119.950 -0.223 0.000 2.388 255 F HA 0.631 5.159 4.527 0.001 0.000 0.358 255 F C -0.172 175.587 175.800 -0.067 0.000 1.122 255 F CA -1.500 56.414 58.000 -0.142 0.000 1.056 255 F CB 0.064 38.922 39.000 -0.237 0.000 1.155 255 F HN 0.343 nan 8.300 nan 0.000 0.461 260 G N 3.432 112.354 108.800 0.203 0.000 2.198 260 G HA2 -0.120 3.841 3.960 0.001 0.000 0.156 260 G HA3 -0.120 3.841 3.960 0.001 0.000 0.156 260 G C -0.430 174.485 174.900 0.024 0.000 1.012 260 G CA 0.003 45.159 45.100 0.093 0.000 0.692 260 G HN 0.629 nan 8.290 nan 0.000 0.492 261 V N 1.496 121.486 119.914 0.127 0.000 2.488 261 V HA 0.585 4.706 4.120 0.001 0.000 0.277 261 V C 0.258 176.396 176.094 0.072 0.000 1.046 261 V CA -0.324 62.016 62.300 0.066 0.000 0.986 261 V CB 0.839 32.827 31.823 0.276 0.000 0.989 261 V HN 0.219 nan 8.190 nan 0.000 0.475 262 K N 6.828 127.238 120.400 0.018 0.000 2.268 262 K HA 0.390 4.711 4.320 0.001 0.000 0.276 262 K C -0.458 176.223 176.600 0.134 0.000 1.080 262 K CA -0.624 55.706 56.287 0.072 0.000 0.910 262 K CB 0.749 33.289 32.500 0.066 0.000 1.163 262 K HN 0.499 nan 8.250 nan 0.000 0.465 263 K N 2.519 123.003 120.400 0.139 0.000 2.350 263 K HA 0.116 4.436 4.320 0.001 0.000 0.279 263 K C 0.145 176.826 176.600 0.135 0.000 1.027 263 K CA -0.041 56.339 56.287 0.154 0.000 0.969 263 K CB 0.751 33.336 32.500 0.140 0.000 0.954 263 K HN 0.564 nan 8.250 nan 0.000 0.474 264 R N -0.110 120.476 120.500 0.144 0.000 3.336 264 R HA -0.161 4.179 4.340 0.001 0.000 0.260 264 R C 1.093 177.459 176.300 0.111 0.000 1.032 264 R CA 0.535 56.708 56.100 0.122 0.000 0.693 264 R CB -2.479 27.879 30.300 0.096 0.000 1.134 264 R HN 0.586 nan 8.270 nan 0.000 0.433 265 V N -3.425 116.559 119.914 0.116 0.000 2.667 265 V HA -0.081 4.040 4.120 0.001 0.000 0.252 265 V C 1.032 177.159 176.094 0.055 0.000 1.065 265 V CA 1.693 64.028 62.300 0.059 0.000 1.083 265 V CB -0.175 31.651 31.823 0.005 0.000 0.692 265 V HN 0.549 nan 8.190 nan 0.000 0.468 266 H N 0.730 119.798 119.070 -0.003 0.000 2.530 266 H HA 0.401 4.958 4.556 0.001 0.000 0.246 266 H C -2.047 173.310 175.328 0.048 0.000 1.346 266 H CA -2.171 53.879 56.048 0.003 0.000 1.424 266 H CB 1.715 31.465 29.762 -0.019 0.000 1.445 266 H HN 0.171 nan 8.280 nan 0.000 0.511 267 P HA -0.235 nan 4.420 nan 0.000 0.216 267 P C 1.343 178.731 177.300 0.147 0.000 1.154 267 P CA 1.802 64.996 63.100 0.155 0.000 0.865 267 P CB 0.224 31.996 31.700 0.120 0.000 0.789 268 A N -1.050 121.895 122.820 0.208 0.000 2.070 268 A HA -0.117 4.204 4.320 0.001 0.000 0.220 268 A C 2.053 179.763 177.584 0.210 0.000 1.159 268 A CA 1.094 53.243 52.037 0.187 0.000 0.656 268 A CB -1.463 17.670 19.000 0.220 0.000 0.800 268 A HN 0.169 nan 8.150 nan 0.000 0.453 269 L N -1.460 119.769 121.223 0.010 0.000 2.552 269 L HA 0.131 4.472 4.340 0.001 0.000 0.227 269 L C 1.876 178.915 176.870 0.282 0.000 1.146 269 L CA 0.346 55.251 54.840 0.109 0.000 0.858 269 L CB -0.867 41.115 42.059 -0.128 0.000 0.969 269 L HN 0.632 nan 8.230 nan 0.000 0.451 270 G N 0.845 109.729 108.800 0.140 0.000 2.591 270 G HA2 -0.399 3.562 3.960 0.001 0.000 0.298 270 G HA3 -0.399 3.562 3.960 0.001 0.000 0.298 270 G C 0.527 175.448 174.900 0.036 0.000 1.195 270 G CA 0.395 45.512 45.100 0.030 0.000 0.989 270 G HN 0.256 nan 8.290 nan 0.000 0.551 271 D N 1.146 121.536 120.400 -0.016 0.000 2.221 271 D HA 0.093 4.734 4.640 0.001 0.000 0.204 271 D C 2.493 178.640 176.300 -0.255 0.000 0.982 271 D CA 1.733 55.621 54.000 -0.188 0.000 0.857 271 D CB -0.535 40.077 40.800 -0.314 0.000 0.934 271 D HN 0.863 nan 8.370 nan 0.000 0.475 272 A N 0.132 122.964 122.820 0.019 0.000 2.259 272 A HA 0.290 4.610 4.320 0.001 0.000 0.208 272 A C 1.997 179.678 177.584 0.161 0.000 1.201 272 A CA 0.730 52.871 52.037 0.173 0.000 0.824 272 A CB -0.189 18.950 19.000 0.231 0.000 0.838 272 A HN 0.223 nan 8.150 nan 0.000 0.485 273 G N -0.893 107.989 108.800 0.137 0.000 3.088 273 G HA2 0.169 4.130 3.960 0.001 0.000 0.217 273 G HA3 0.169 4.130 3.960 0.001 0.000 0.217 273 G C -0.156 174.854 174.900 0.183 0.000 1.159 273 G CA -0.097 45.088 45.100 0.142 0.000 0.760 273 G HN 0.346 nan 8.290 nan 0.000 0.550 274 D N -0.312 120.241 120.400 0.254 0.000 2.253 274 D HA 0.523 5.164 4.640 0.001 0.000 0.249 274 D C -0.848 175.598 176.300 0.244 0.000 1.049 274 D CA -0.290 53.874 54.000 0.273 0.000 0.929 274 D CB 2.065 43.122 40.800 0.428 0.000 1.176 274 D HN -0.024 nan 8.370 nan 0.000 0.437 275 F N 0.792 120.713 119.950 -0.050 0.000 2.782 275 F HA 0.643 5.171 4.527 0.001 0.000 0.366 275 F C -1.108 174.565 175.800 -0.211 0.000 1.171 275 F CA -1.214 56.669 58.000 -0.196 0.000 1.064 275 F CB 1.141 40.050 39.000 -0.152 0.000 1.449 275 F HN 0.084 nan 8.300 nan 0.000 0.520 276 V N 0.697 119.961 119.914 -1.084 0.000 3.007 276 V HA 0.942 5.063 4.120 0.001 0.000 0.311 276 V C -0.931 174.644 176.094 -0.864 0.000 1.120 276 V CA 0.062 61.895 62.300 -0.778 0.000 0.980 276 V CB 1.732 33.157 31.823 -0.663 0.000 1.033 276 V HN 1.152 nan 8.190 nan 0.000 0.429 277 G N 2.948 111.484 108.800 -0.441 0.000 2.704 277 G HA2 0.443 4.404 3.960 0.001 0.000 0.293 277 G HA3 0.443 4.404 3.960 0.001 0.000 0.293 277 G C -1.599 173.199 174.900 -0.169 0.000 1.421 277 G CA -0.867 44.047 45.100 -0.310 0.000 0.870 277 G HN 0.864 nan 8.290 nan 0.000 0.492 278 K N 0.412 120.736 120.400 -0.127 0.000 2.412 278 K HA 0.534 4.854 4.320 0.001 0.000 0.281 278 K C 0.370 176.952 176.600 -0.031 0.000 1.027 278 K CA -0.156 56.090 56.287 -0.068 0.000 0.989 278 K CB 0.740 33.205 32.500 -0.058 0.000 0.935 278 K HN 0.614 nan 8.250 nan 0.000 0.475 279 A N 2.893 125.713 122.820 -0.000 0.000 2.282 279 A HA 0.296 4.617 4.320 0.001 0.000 0.319 279 A C -0.006 177.595 177.584 0.029 0.000 1.121 279 A CA -0.527 51.530 52.037 0.034 0.000 0.836 279 A CB 1.335 20.381 19.000 0.077 0.000 1.146 279 A HN 0.805 nan 8.150 nan 0.000 0.494 283 G N 1.282 110.082 108.800 0.001 0.000 2.402 283 G HA2 -0.134 3.827 3.960 0.001 0.000 0.216 283 G HA3 -0.134 3.827 3.960 0.001 0.000 0.216 283 G C 1.600 176.553 174.900 0.088 0.000 1.162 283 G CA 1.578 46.680 45.100 0.002 0.000 0.777 283 G HN 0.253 nan 8.290 nan 0.000 0.539 284 V N 0.736 120.693 119.914 0.070 0.000 2.307 284 V HA -0.167 3.954 4.120 0.001 0.000 0.245 284 V C 2.549 178.539 176.094 -0.174 0.000 1.045 284 V CA 2.143 64.409 62.300 -0.058 0.000 1.024 284 V CB -0.486 31.308 31.823 -0.048 0.000 0.651 284 V HN 0.541 nan 8.190 nan 0.000 0.449 285 E N -0.156 119.993 120.200 -0.085 0.000 2.070 285 E HA -0.332 4.019 4.350 0.001 0.000 0.197 285 E C 2.343 178.843 176.600 -0.166 0.000 1.004 285 E CA 1.806 58.134 56.400 -0.120 0.000 0.805 285 E CB -0.311 29.409 29.700 0.033 0.000 0.744 285 E HN 0.747 nan 8.360 nan 0.000 0.451 286 H N 0.817 119.838 119.070 -0.080 0.000 2.319 286 H HA -0.125 4.432 4.556 0.001 0.000 0.299 286 H C 2.379 177.702 175.328 -0.008 0.000 1.092 286 H CA 1.661 57.711 56.048 0.002 0.000 1.302 286 H CB -0.241 29.601 29.762 0.134 0.000 1.373 286 H HN 0.221 nan 8.280 nan 0.000 0.497 287 L N 0.237 121.504 121.223 0.074 0.000 2.012 287 L HA -0.228 4.113 4.340 0.001 0.000 0.210 287 L C 2.975 179.658 176.870 -0.311 0.000 1.073 287 L CA 1.030 55.809 54.840 -0.101 0.000 0.748 287 L CB -0.382 41.365 42.059 -0.520 0.000 0.891 287 L HN 0.229 nan 8.230 nan 0.000 0.431 288 L N -0.964 119.884 121.223 -0.624 0.000 2.056 288 L HA -0.203 4.138 4.340 0.001 0.000 0.207 288 L C 2.797 179.309 176.870 -0.597 0.000 1.078 288 L CA 1.144 55.563 54.840 -0.701 0.000 0.749 288 L CB -0.503 40.896 42.059 -1.100 0.000 0.901 288 L HN 0.213 nan 8.230 nan 0.000 0.433 289 R N 0.065 120.171 120.500 -0.656 0.000 2.066 289 R HA -0.129 4.212 4.340 0.001 0.000 0.232 289 R C 1.929 178.121 176.300 -0.181 0.000 1.131 289 R CA 1.251 57.185 56.100 -0.276 0.000 0.955 289 R CB 0.106 30.319 30.300 -0.146 0.000 0.851 289 R HN 0.248 nan 8.270 nan 0.000 0.432 290 E N -0.637 119.384 120.200 -0.298 0.000 2.478 290 E HA -0.054 4.296 4.350 0.001 0.000 0.194 290 E C -0.287 175.995 176.600 -0.530 0.000 1.045 290 E CA 0.551 56.696 56.400 -0.425 0.000 0.868 290 E CB 0.425 29.740 29.700 -0.641 0.000 0.885 290 E HN 0.408 nan 8.360 nan 0.000 0.505 291 Y N 0.628 120.945 120.300 0.027 0.000 2.562 291 Y HA 0.213 4.764 4.550 0.001 0.000 0.363 291 Y C -1.635 174.359 175.900 0.158 0.000 0.991 291 Y CA -1.804 56.375 58.100 0.132 0.000 1.121 291 Y CB 1.286 39.894 38.460 0.246 0.000 1.159 291 Y HN -0.037 nan 8.280 nan 0.000 0.651 292 P HA -0.054 nan 4.420 nan 0.000 0.233 292 P C 0.266 177.653 177.300 0.145 0.000 1.167 292 P CA 1.120 64.317 63.100 0.161 0.000 0.770 292 P CB 0.547 32.311 31.700 0.107 0.000 0.837 293 N N -0.111 118.670 118.700 0.135 0.000 2.280 293 N HA 0.055 4.795 4.740 0.001 0.000 0.192 293 N C 0.032 175.569 175.510 0.045 0.000 1.109 293 N CA 0.166 53.264 53.050 0.079 0.000 0.855 293 N CB -0.124 38.402 38.487 0.066 0.000 0.974 293 N HN 0.253 nan 8.380 nan 0.000 0.482 294 N N 0.377 119.126 118.700 0.081 0.000 2.417 294 N HA 0.257 4.997 4.740 0.001 0.000 0.300 294 N C -0.585 174.817 175.510 -0.179 0.000 1.102 294 N CA -0.326 52.664 53.050 -0.101 0.000 0.886 294 N CB 1.704 40.091 38.487 -0.167 0.000 1.203 294 N HN -0.155 nan 8.380 nan 0.000 0.496 295 K N 1.321 121.497 120.400 -0.373 0.000 2.182 295 K HA 0.475 4.796 4.320 0.001 0.000 0.262 295 K C -1.226 175.143 176.600 -0.384 0.000 0.957 295 K CA -0.442 55.685 56.287 -0.266 0.000 0.842 295 K CB 1.204 33.391 32.500 -0.521 0.000 1.099 295 K HN 0.349 nan 8.250 nan 0.000 0.438 296 F N 2.359 122.483 119.950 0.290 0.000 2.540 296 F HA 0.433 4.960 4.527 0.001 0.000 0.317 296 F C -0.334 175.560 175.800 0.156 0.000 1.104 296 F CA -0.874 57.223 58.000 0.161 0.000 0.913 296 F CB 1.240 40.266 39.000 0.044 0.000 1.170 296 F HN 0.105 nan 8.300 nan 0.000 0.450 297 L N 3.852 125.164 121.223 0.148 0.000 2.322 297 L HA 0.822 5.163 4.340 0.001 0.000 0.281 297 L C -0.990 175.934 176.870 0.090 0.000 1.014 297 L CA -0.873 53.982 54.840 0.024 0.000 0.815 297 L CB 1.913 43.819 42.059 -0.254 0.000 1.247 297 L HN 0.337 nan 8.230 nan 0.000 0.421 298 V N 1.799 121.780 119.914 0.111 0.000 2.760 298 V HA 0.650 4.771 4.120 0.001 0.000 0.309 298 V C -0.281 175.528 176.094 -0.475 0.000 1.077 298 V CA -0.379 61.842 62.300 -0.131 0.000 0.910 298 V CB 2.277 34.021 31.823 -0.131 0.000 1.008 298 V HN 0.820 nan 8.190 nan 0.000 0.424 302 S N 0.252 115.926 115.700 -0.043 0.000 2.545 302 S HA 0.261 4.732 4.470 0.001 0.000 0.275 302 S C 1.359 175.933 174.600 -0.044 0.000 1.299 302 S CA -0.062 58.089 58.200 -0.081 0.000 1.048 302 S CB 1.248 64.397 63.200 -0.086 0.000 0.938 302 S HN 0.332 nan 8.310 nan 0.000 0.496 303 R N 2.533 123.001 120.500 -0.054 0.000 2.105 303 R HA -0.109 4.232 4.340 0.001 0.000 0.239 303 R C 0.960 177.245 176.300 -0.024 0.000 1.135 303 R CA 1.902 57.983 56.100 -0.032 0.000 0.967 303 R CB -0.165 30.111 30.300 -0.041 0.000 0.861 303 R HN 0.662 nan 8.270 nan 0.000 0.442 304 E N -0.282 119.896 120.200 -0.036 0.000 2.482 304 E HA -0.048 4.302 4.350 0.001 0.000 0.196 304 E C 0.754 177.350 176.600 -0.007 0.000 1.047 304 E CA 0.772 57.157 56.400 -0.025 0.000 0.869 304 E CB 0.050 29.726 29.700 -0.040 0.000 0.836 304 E HN 0.485 nan 8.360 nan 0.000 0.520 305 N N -0.474 118.221 118.700 -0.008 0.000 2.299 305 N HA -0.025 4.716 4.740 0.001 0.000 0.187 305 N C 1.240 176.751 175.510 0.002 0.000 1.099 305 N CA -0.085 52.966 53.050 0.001 0.000 0.867 305 N CB 0.362 38.848 38.487 -0.002 0.000 0.974 305 N HN -0.001 nan 8.380 nan 0.000 0.477 306 Q N 0.231 120.036 119.800 0.007 0.000 2.079 306 Q HA -0.170 4.171 4.340 0.001 0.000 0.200 306 Q C 1.740 177.734 176.000 -0.010 0.000 0.974 306 Q CA 1.266 57.065 55.803 -0.007 0.000 0.840 306 Q CB -0.551 28.185 28.738 -0.003 0.000 0.898 306 Q HN 0.598 nan 8.270 nan 0.000 0.430 307 H N 1.645 120.683 119.070 -0.053 0.000 2.357 307 H HA -0.090 4.467 4.556 0.001 0.000 0.301 307 H C 1.771 177.069 175.328 -0.050 0.000 1.082 307 H CA 1.701 57.714 56.048 -0.058 0.000 1.342 307 H CB 0.420 30.152 29.762 -0.050 0.000 1.389 307 H HN 0.476 nan 8.280 nan 0.000 0.511 308 E N 0.561 120.747 120.200 -0.023 0.000 2.150 308 E HA -0.140 4.210 4.350 0.001 0.000 0.193 308 E C 2.396 178.936 176.600 -0.100 0.000 0.985 308 E CA 0.757 57.118 56.400 -0.065 0.000 0.814 308 E CB -0.452 29.263 29.700 0.025 0.000 0.752 308 E HN 0.316 nan 8.360 nan 0.000 0.466 309 L N 1.681 122.853 121.223 -0.085 0.000 2.042 309 L HA -0.155 4.185 4.340 0.001 0.000 0.210 309 L C 2.350 179.148 176.870 -0.121 0.000 1.076 309 L CA 1.355 56.144 54.840 -0.084 0.000 0.749 309 L CB -0.375 41.637 42.059 -0.079 0.000 0.893 309 L HN 0.032 nan 8.230 nan 0.000 0.432 310 V N -1.157 118.643 119.914 -0.189 0.000 2.287 310 V HA -0.296 3.824 4.120 0.001 0.000 0.248 310 V C 2.516 178.483 176.094 -0.212 0.000 1.053 310 V CA 1.738 63.902 62.300 -0.226 0.000 1.027 310 V CB -0.702 30.942 31.823 -0.298 0.000 0.646 310 V HN 0.358 nan 8.190 nan 0.000 0.447 311 V N -0.383 119.367 119.914 -0.273 0.000 2.392 311 V HA -0.241 3.880 4.120 0.001 0.000 0.249 311 V C 2.366 178.403 176.094 -0.094 0.000 1.059 311 V CA 1.950 64.132 62.300 -0.197 0.000 1.051 311 V CB -0.614 31.091 31.823 -0.196 0.000 0.658 311 V HN 0.484 nan 8.190 nan 0.000 0.455 312 L N 0.856 122.050 121.223 -0.049 0.000 2.083 312 L HA -0.049 4.292 4.340 0.001 0.000 0.209 312 L C 2.471 179.396 176.870 0.091 0.000 1.083 312 L CA 2.219 57.094 54.840 0.058 0.000 0.752 312 L CB -0.992 41.109 42.059 0.072 0.000 0.899 312 L HN 0.235 nan 8.230 nan 0.000 0.433 313 A N -0.513 122.318 122.820 0.018 0.000 1.933 313 A HA -0.230 4.091 4.320 0.001 0.000 0.218 313 A C 2.375 179.958 177.584 -0.002 0.000 1.175 313 A CA 1.701 53.753 52.037 0.024 0.000 0.628 313 A CB -0.542 18.443 19.000 -0.024 0.000 0.814 313 A HN 0.500 nan 8.150 nan 0.000 0.444 314 R N -0.443 120.025 120.500 -0.054 0.000 2.152 314 R HA -0.095 4.246 4.340 0.001 0.000 0.232 314 R C 1.704 177.929 176.300 -0.125 0.000 1.117 314 R CA 1.313 57.367 56.100 -0.078 0.000 0.981 314 R CB -0.118 30.126 30.300 -0.093 0.000 0.870 314 R HN 0.334 nan 8.270 nan 0.000 0.451 315 K N -0.235 120.056 120.400 -0.182 0.000 2.186 315 K HA 0.044 4.365 4.320 0.001 0.000 0.202 315 K C 0.036 176.210 176.600 -0.710 0.000 1.052 315 K CA 0.813 56.804 56.287 -0.493 0.000 0.965 315 K CB 0.318 32.416 32.500 -0.669 0.000 0.746 315 K HN 0.033 nan 8.250 nan 0.000 0.457 316 F N 0.611 120.567 119.950 0.011 0.000 2.539 316 F HA 0.128 4.655 4.527 0.001 0.000 0.328 316 F C 1.084 176.927 175.800 0.072 0.000 1.148 316 F CA -0.861 57.163 58.000 0.040 0.000 0.940 316 F CB 1.788 40.810 39.000 0.037 0.000 1.194 316 F HN -0.147 nan 8.300 nan 0.000 0.438 317 S N 0.185 116.031 115.700 0.243 0.000 2.522 317 S HA -0.131 4.340 4.470 0.001 0.000 0.227 317 S C 1.228 176.011 174.600 0.305 0.000 0.986 317 S CA 0.737 59.065 58.200 0.213 0.000 0.929 317 S CB -0.414 62.877 63.200 0.151 0.000 0.769 317 S HN 0.684 nan 8.310 nan 0.000 0.529 318 N N 1.097 120.004 118.700 0.345 0.000 2.383 318 N HA 0.141 4.882 4.740 0.001 0.000 0.192 318 N C 0.161 175.985 175.510 0.522 0.000 1.141 318 N CA -0.193 53.102 53.050 0.407 0.000 0.851 318 N CB -0.354 38.332 38.487 0.330 0.000 0.976 318 N HN 0.444 nan 8.380 nan 0.000 0.465 322 F N 2.802 122.717 119.950 -0.058 0.000 2.581 322 F HA 0.968 5.496 4.527 0.001 0.000 0.311 322 F C 0.099 175.958 175.800 0.097 0.000 1.113 322 F CA -0.076 57.921 58.000 -0.005 0.000 0.935 322 F CB 1.378 40.308 39.000 -0.117 0.000 1.232 322 F HN 1.325 nan 8.300 nan 0.000 0.445 323 G N 0.932 109.899 108.800 0.278 0.000 2.814 323 G HA2 -0.090 3.871 3.960 0.001 0.000 0.677 323 G HA3 -0.090 3.871 3.960 0.001 0.000 0.677 323 G C -1.280 173.701 174.900 0.135 0.000 1.429 323 G CA -0.654 44.645 45.100 0.331 0.000 0.868 323 G HN 1.363 nan 8.290 nan 0.000 0.553 324 C N 0.414 119.764 119.300 0.083 0.000 2.409 324 C HA 0.445 4.906 4.460 0.001 0.000 0.297 324 C C 0.201 175.286 174.990 0.159 0.000 1.083 324 C CA -0.759 58.317 59.018 0.096 0.000 1.515 324 C CB -0.561 27.212 27.740 0.055 0.000 1.869 324 C HN 0.675 nan 8.230 nan 0.000 0.413 325 W N 4.623 125.957 121.300 0.058 0.000 2.356 325 W HA 0.418 5.079 4.660 0.001 0.000 0.311 325 W C 0.684 177.348 176.519 0.241 0.000 1.328 325 W CA 0.156 57.605 57.345 0.172 0.000 1.251 325 W CB 0.055 29.626 29.460 0.185 0.000 1.280 325 W HN 0.864 nan 8.180 nan 0.000 0.524 326 W N 4.132 125.416 121.300 -0.027 0.000 2.207 326 W HA -0.399 4.262 4.660 0.001 0.000 0.296 326 W C 0.105 176.416 176.519 -0.347 0.000 1.856 326 W CA 1.167 58.298 57.345 -0.358 0.000 2.040 326 W CB -2.256 26.558 29.460 -1.077 0.000 0.938 326 W HN 0.257 nan 8.180 nan 0.000 0.450 330 N N 0.380 119.162 118.700 0.137 0.000 2.249 330 N HA 0.383 5.124 4.740 0.001 0.000 0.296 330 N C -2.050 173.515 175.510 0.092 0.000 1.051 330 N CA -1.136 51.993 53.050 0.131 0.000 0.815 330 N CB 2.594 41.149 38.487 0.113 0.000 1.487 330 N HN -0.066 nan 8.380 nan 0.000 0.475 331 P HA -0.204 nan 4.420 nan 0.000 0.216 331 P C 1.168 178.493 177.300 0.042 0.000 1.157 331 P CA 1.487 64.620 63.100 0.056 0.000 0.880 331 P CB 0.540 32.258 31.700 0.031 0.000 0.791 332 E N -0.516 119.705 120.200 0.034 0.000 2.118 332 E HA -0.176 4.175 4.350 0.001 0.000 0.195 332 E C 1.786 178.400 176.600 0.024 0.000 0.992 332 E CA 1.399 57.812 56.400 0.023 0.000 0.804 332 E CB -0.955 28.755 29.700 0.015 0.000 0.741 332 E HN 0.209 nan 8.360 nan 0.000 0.458 333 I N -0.450 120.140 120.570 0.033 0.000 2.494 333 I HA -0.092 4.079 4.170 0.001 0.000 0.250 333 I C 2.110 178.249 176.117 0.037 0.000 1.112 333 I CA 0.356 61.675 61.300 0.031 0.000 1.438 333 I CB -0.117 37.905 38.000 0.037 0.000 1.111 333 I HN 0.083 nan 8.210 nan 0.000 0.431 334 I N 1.233 121.833 120.570 0.050 0.000 2.194 334 I HA -0.360 3.811 4.170 0.001 0.000 0.246 334 I C 2.331 178.478 176.117 0.050 0.000 1.093 334 I CA 1.724 63.057 61.300 0.054 0.000 1.355 334 I CB -0.602 37.436 38.000 0.062 0.000 1.046 334 I HN 0.345 nan 8.210 nan 0.000 0.413 335 N N 0.980 119.706 118.700 0.043 0.000 2.058 335 N HA -0.182 4.559 4.740 0.001 0.000 0.191 335 N C 0.981 176.506 175.510 0.024 0.000 1.037 335 N CA 1.097 54.169 53.050 0.037 0.000 0.848 335 N CB -0.152 38.353 38.487 0.030 0.000 1.021 335 N HN 0.532 nan 8.380 nan 0.000 0.422 346 G N 1.962 110.792 108.800 0.050 0.000 2.565 346 G HA2 -0.424 3.537 3.960 0.001 0.000 0.295 346 G HA3 -0.424 3.537 3.960 0.001 0.000 0.295 346 G C 0.653 175.655 174.900 0.171 0.000 1.165 346 G CA 1.033 46.171 45.100 0.063 0.000 0.977 346 G HN 0.430 nan 8.290 nan 0.000 0.546 347 T N -1.929 112.683 114.554 0.097 0.000 3.176 347 T HA 0.505 4.856 4.350 0.001 0.000 0.263 347 T C 1.364 176.073 174.700 0.014 0.000 1.021 347 T CA 1.147 63.262 62.100 0.024 0.000 0.905 347 T CB 0.063 68.915 68.868 -0.027 0.000 1.057 347 T HN 1.653 nan 8.240 nan 0.000 0.558 348 S N 1.496 117.286 115.700 0.151 0.000 2.994 348 S HA 0.526 4.996 4.470 0.001 0.000 0.247 348 S C -0.120 174.599 174.600 0.199 0.000 1.323 348 S CA -1.080 57.190 58.200 0.117 0.000 1.246 348 S CB -1.441 61.814 63.200 0.092 0.000 0.994 348 S HN 0.640 nan 8.310 nan 0.000 0.484 349 F N -1.995 117.923 119.950 -0.052 0.000 2.715 349 F HA 0.738 5.266 4.527 0.001 0.000 0.318 349 F C -1.453 174.315 175.800 -0.053 0.000 1.141 349 F CA -2.100 55.862 58.000 -0.063 0.000 0.950 349 F CB 0.708 39.672 39.000 -0.059 0.000 1.374 349 F HN -0.070 nan 8.300 nan 0.000 0.477 350 I N 2.627 123.187 120.570 -0.018 0.000 2.359 350 I HA 0.330 4.501 4.170 0.001 0.000 0.284 350 I C -1.807 174.326 176.117 0.027 0.000 1.018 350 I CA -1.889 59.353 61.300 -0.097 0.000 1.173 350 I CB 1.795 39.822 38.000 0.046 0.000 1.326 350 I HN 0.425 nan 8.210 nan 0.000 0.462 351 P HA -0.100 nan 4.420 nan 0.000 0.221 351 P C 0.117 177.504 177.300 0.144 0.000 1.150 351 P CA 1.093 64.242 63.100 0.082 0.000 0.800 351 P CB 0.301 31.924 31.700 -0.130 0.000 0.787 352 Q N -1.060 118.828 119.800 0.147 0.000 2.472 352 Q HA 0.327 4.668 4.340 0.001 0.000 0.281 352 Q C -1.247 174.950 176.000 0.329 0.000 0.997 352 Q CA -0.723 55.174 55.803 0.156 0.000 0.828 352 Q CB 1.081 29.832 28.738 0.021 0.000 1.443 352 Q HN 0.211 nan 8.270 nan 0.000 0.390 353 H N -0.682 118.462 119.070 0.123 0.000 2.941 353 H HA 0.593 5.150 4.556 0.001 0.000 0.344 353 H C -0.385 174.887 175.328 -0.092 0.000 1.235 353 H CA -0.202 55.943 56.048 0.160 0.000 1.149 353 H CB 1.378 31.292 29.762 0.253 0.000 1.885 353 H HN 0.643 nan 8.280 nan 0.000 0.558 354 S N -1.065 114.587 115.700 -0.079 0.000 2.475 354 S HA -0.038 4.432 4.470 0.001 0.000 0.224 354 S C 0.299 174.856 174.600 -0.072 0.000 1.042 354 S CA 0.584 58.613 58.200 -0.285 0.000 0.935 354 S CB -0.250 62.791 63.200 -0.266 0.000 0.801 354 S HN 0.711 nan 8.310 nan 0.000 0.509 355 D N 1.619 122.142 120.400 0.205 0.000 2.911 355 D HA -0.146 4.495 4.640 0.001 0.000 0.227 355 D C 0.228 176.610 176.300 0.138 0.000 1.164 355 D CA 0.927 55.091 54.000 0.273 0.000 0.782 355 D CB -1.441 39.621 40.800 0.438 0.000 1.094 355 D HN 0.757 nan 8.370 nan 0.000 0.425 356 A N 0.129 122.946 122.820 -0.004 0.000 2.548 356 A HA 0.116 4.437 4.320 0.001 0.000 0.247 356 A C 1.414 178.996 177.584 -0.002 0.000 1.067 356 A CA 0.505 52.486 52.037 -0.092 0.000 0.757 356 A CB 0.392 19.336 19.000 -0.095 0.000 0.996 356 A HN 0.299 nan 8.150 nan 0.000 0.504 357 R N 1.479 121.944 120.500 -0.057 0.000 2.254 357 R HA 0.189 4.529 4.340 0.001 0.000 0.193 357 R C -0.502 175.812 176.300 0.023 0.000 0.929 357 R CA 0.392 56.520 56.100 0.047 0.000 1.038 357 R CB 0.474 30.841 30.300 0.112 0.000 1.009 357 R HN 0.525 nan 8.270 nan 0.000 0.512 358 V N 1.394 121.252 119.914 -0.094 0.000 2.540 358 V HA 0.042 4.163 4.120 0.001 0.000 0.302 358 V C 0.745 176.846 176.094 0.012 0.000 1.035 358 V CA -0.461 61.829 62.300 -0.017 0.000 0.873 358 V CB 2.010 33.781 31.823 -0.088 0.000 0.992 358 V HN 0.042 nan 8.190 nan 0.000 0.428 359 L N 4.349 125.646 121.223 0.122 0.000 1.997 359 L HA -0.165 4.176 4.340 0.001 0.000 0.216 359 L C 2.153 179.078 176.870 0.092 0.000 1.074 359 L CA 2.235 57.149 54.840 0.123 0.000 0.763 359 L CB -0.438 41.719 42.059 0.163 0.000 0.890 359 L HN 0.816 nan 8.230 nan 0.000 0.434 360 E N -0.602 119.674 120.200 0.127 0.000 2.265 360 E HA -0.220 4.131 4.350 0.001 0.000 0.196 360 E C 2.137 178.776 176.600 0.066 0.000 0.996 360 E CA 0.990 57.468 56.400 0.130 0.000 0.832 360 E CB -0.257 29.557 29.700 0.190 0.000 0.756 360 E HN 0.647 nan 8.360 nan 0.000 0.491 361 Q N -0.037 119.750 119.800 -0.022 0.000 2.297 361 Q HA -0.127 4.214 4.340 0.001 0.000 0.208 361 Q C 1.930 177.762 176.000 -0.281 0.000 0.981 361 Q CA 0.726 56.419 55.803 -0.183 0.000 0.876 361 Q CB -0.182 28.337 28.738 -0.366 0.000 0.921 361 Q HN 0.369 nan 8.270 nan 0.000 0.446 362 L N 0.212 121.385 121.223 -0.082 0.000 2.127 362 L HA -0.234 4.107 4.340 0.001 0.000 0.211 362 L C 2.195 179.134 176.870 0.116 0.000 1.089 362 L CA 1.013 55.893 54.840 0.067 0.000 0.757 362 L CB -0.508 41.643 42.059 0.154 0.000 0.899 362 L HN 0.277 nan 8.230 nan 0.000 0.434 363 I N -0.661 119.951 120.570 0.070 0.000 2.076 363 I HA -0.364 3.807 4.170 0.001 0.000 0.237 363 I C 2.685 178.858 176.117 0.093 0.000 1.059 363 I CA 2.022 63.382 61.300 0.101 0.000 1.317 363 I CB -0.589 37.464 38.000 0.088 0.000 1.037 363 I HN 0.289 nan 8.210 nan 0.000 0.398 364 Y N 1.404 121.650 120.300 -0.089 0.000 2.263 364 Y HA -0.043 4.507 4.550 0.001 0.000 0.292 364 Y C 2.280 177.938 175.900 -0.404 0.000 1.130 364 Y CA 0.833 58.748 58.100 -0.309 0.000 1.179 364 Y CB -0.669 37.547 38.460 -0.407 0.000 0.998 364 Y HN -0.100 nan 8.280 nan 0.000 0.532 365 K N 0.240 120.160 120.400 -0.801 0.000 2.026 365 K HA -0.194 4.127 4.320 0.001 0.000 0.208 365 K C 1.787 178.069 176.600 -0.530 0.000 1.048 365 K CA 2.056 57.870 56.287 -0.788 0.000 0.929 365 K CB -0.891 31.060 32.500 -0.915 0.000 0.713 365 K HN 0.539 nan 8.250 nan 0.000 0.439 366 W N 0.383 121.631 121.300 -0.087 0.000 2.418 366 W HA -0.084 4.577 4.660 0.001 0.000 0.292 366 W C 2.417 178.979 176.519 0.071 0.000 1.213 366 W CA 0.757 58.108 57.345 0.011 0.000 1.283 366 W CB -0.465 28.989 29.460 -0.011 0.000 1.119 366 W HN 0.340 nan 8.180 nan 0.000 0.542 367 H N -0.509 118.679 119.070 0.195 0.000 2.326 367 H HA -0.160 4.396 4.556 0.001 0.000 0.301 367 H C 1.812 177.311 175.328 0.285 0.000 1.081 367 H CA 2.289 58.462 56.048 0.209 0.000 1.334 367 H CB -0.465 29.414 29.762 0.194 0.000 1.385 367 H HN 0.308 nan 8.280 nan 0.000 0.504 368 H N -0.600 118.547 119.070 0.129 0.000 2.353 368 H HA -0.068 4.489 4.556 0.001 0.000 0.300 368 H C 2.564 177.901 175.328 0.016 0.000 1.090 368 H CA 0.995 57.082 56.048 0.065 0.000 1.327 368 H CB 0.375 30.243 29.762 0.178 0.000 1.383 368 H HN 0.270 nan 8.280 nan 0.000 0.508 369 S N 0.397 116.188 115.700 0.152 0.000 2.371 369 S HA -0.079 4.392 4.470 0.001 0.000 0.224 369 S C 1.917 176.643 174.600 0.210 0.000 1.029 369 S CA 0.772 59.043 58.200 0.117 0.000 0.978 369 S CB 0.046 63.231 63.200 -0.025 0.000 0.833 369 S HN 0.326 nan 8.310 nan 0.000 0.466 370 K N 1.529 122.082 120.400 0.255 0.000 2.063 370 K HA -0.121 4.199 4.320 0.001 0.000 0.208 370 K C 2.552 179.231 176.600 0.131 0.000 1.048 370 K CA 1.679 58.112 56.287 0.243 0.000 0.928 370 K CB -0.302 32.271 32.500 0.121 0.000 0.713 370 K HN 0.474 nan 8.250 nan 0.000 0.442 371 S N 0.879 116.592 115.700 0.021 0.000 2.383 371 S HA -0.119 4.352 4.470 0.001 0.000 0.227 371 S C 2.023 176.652 174.600 0.050 0.000 1.026 371 S CA 0.933 59.128 58.200 -0.008 0.000 0.981 371 S CB -0.464 62.671 63.200 -0.108 0.000 0.818 371 S HN 0.202 nan 8.310 nan 0.000 0.472 372 I N 1.330 121.942 120.570 0.070 0.000 2.233 372 I HA -0.070 4.100 4.170 0.001 0.000 0.243 372 I C 2.371 178.552 176.117 0.107 0.000 1.093 372 I CA 1.233 62.580 61.300 0.077 0.000 1.380 372 I CB -0.360 37.686 38.000 0.076 0.000 1.067 372 I HN 0.268 nan 8.210 nan 0.000 0.413 373 I N 0.789 121.453 120.570 0.157 0.000 2.361 373 I HA -0.263 3.908 4.170 0.001 0.000 0.251 373 I C 2.749 178.972 176.117 0.176 0.000 1.133 373 I CA 1.166 62.576 61.300 0.182 0.000 1.413 373 I CB -0.466 37.701 38.000 0.277 0.000 1.073 373 I HN 0.180 nan 8.210 nan 0.000 0.424 374 A N 0.598 123.523 122.820 0.175 0.000 1.873 374 A HA -0.216 4.105 4.320 0.001 0.000 0.215 374 A C 2.215 179.872 177.584 0.122 0.000 1.186 374 A CA 1.608 53.738 52.037 0.154 0.000 0.616 374 A CB -0.552 18.521 19.000 0.122 0.000 0.823 374 A HN 0.405 nan 8.150 nan 0.000 0.442 375 E N -0.385 119.872 120.200 0.095 0.000 2.058 375 E HA -0.157 4.194 4.350 0.001 0.000 0.194 375 E C 1.991 178.634 176.600 0.072 0.000 0.997 375 E CA 1.483 57.929 56.400 0.076 0.000 0.801 375 E CB -0.302 29.433 29.700 0.059 0.000 0.746 375 E HN 0.395 nan 8.360 nan 0.000 0.450 376 V N 1.225 121.181 119.914 0.070 0.000 2.295 376 V HA -0.265 3.856 4.120 0.001 0.000 0.246 376 V C 2.313 178.421 176.094 0.023 0.000 1.049 376 V CA 1.529 63.858 62.300 0.049 0.000 1.024 376 V CB -0.441 31.418 31.823 0.060 0.000 0.648 376 V HN 0.260 nan 8.190 nan 0.000 0.447 377 L N -0.779 120.465 121.223 0.035 0.000 2.046 377 L HA -0.195 4.146 4.340 0.001 0.000 0.208 377 L C 2.358 179.260 176.870 0.054 0.000 1.077 377 L CA 1.661 56.477 54.840 -0.041 0.000 0.747 377 L CB -0.494 41.612 42.059 0.079 0.000 0.896 377 L HN 0.253 nan 8.230 nan 0.000 0.432 378 I N -0.199 120.469 120.570 0.164 0.000 2.163 378 I HA -0.341 3.830 4.170 0.001 0.000 0.243 378 I C 2.103 178.306 176.117 0.143 0.000 1.085 378 I CA 1.380 62.801 61.300 0.201 0.000 1.347 378 I CB -0.368 37.717 38.000 0.141 0.000 1.044 378 I HN 0.263 nan 8.210 nan 0.000 0.408 379 D N 0.615 121.063 120.400 0.079 0.000 2.117 379 D HA -0.172 4.469 4.640 0.001 0.000 0.197 379 D C 2.200 178.523 176.300 0.037 0.000 0.987 379 D CA 1.262 55.294 54.000 0.054 0.000 0.829 379 D CB -0.080 40.740 40.800 0.033 0.000 0.961 379 D HN 0.120 nan 8.370 nan 0.000 0.460 380 K N -0.534 119.855 120.400 -0.018 0.000 2.076 380 K HA -0.040 4.280 4.320 0.001 0.000 0.204 380 K C 1.996 178.575 176.600 -0.034 0.000 1.051 380 K CA 0.596 56.838 56.287 -0.075 0.000 0.949 380 K CB -0.466 31.930 32.500 -0.173 0.000 0.726 380 K HN 0.175 nan 8.250 nan 0.000 0.443 381 Y N 1.188 121.523 120.300 0.057 0.000 2.145 381 Y HA -0.218 4.333 4.550 0.001 0.000 0.286 381 Y C 2.137 178.083 175.900 0.078 0.000 1.145 381 Y CA 1.469 59.614 58.100 0.075 0.000 1.148 381 Y CB -0.774 37.737 38.460 0.086 0.000 0.981 381 Y HN 0.170 nan 8.280 nan 0.000 0.507 382 D N -0.152 120.384 120.400 0.226 0.000 2.123 382 D HA -0.168 4.473 4.640 0.001 0.000 0.196 382 D C 1.548 177.918 176.300 0.116 0.000 0.992 382 D CA 1.549 55.638 54.000 0.148 0.000 0.833 382 D CB -0.181 40.685 40.800 0.111 0.000 0.954 382 D HN 0.208 nan 8.370 nan 0.000 0.455 383 D N -0.300 120.155 120.400 0.091 0.000 2.117 383 D HA -0.115 4.526 4.640 0.001 0.000 0.197 383 D C 2.191 178.536 176.300 0.075 0.000 0.987 383 D CA 1.062 55.100 54.000 0.063 0.000 0.829 383 D CB -0.342 40.475 40.800 0.030 0.000 0.961 383 D HN 0.568 nan 8.370 nan 0.000 0.460 384 I N -2.078 118.550 120.570 0.097 0.000 2.500 384 I HA -0.068 4.103 4.170 0.001 0.000 0.252 384 I C 2.101 178.347 176.117 0.215 0.000 1.142 384 I CA 0.610 61.980 61.300 0.117 0.000 1.451 384 I CB -0.384 37.638 38.000 0.035 0.000 1.093 384 I HN -0.120 nan 8.210 nan 0.000 0.430 385 L N 0.759 122.111 121.223 0.214 0.000 2.046 385 L HA -0.170 4.170 4.340 0.001 0.000 0.208 385 L C 2.819 179.769 176.870 0.133 0.000 1.077 385 L CA 1.526 56.478 54.840 0.185 0.000 0.747 385 L CB -0.744 41.403 42.059 0.146 0.000 0.896 385 L HN 0.304 nan 8.230 nan 0.000 0.432 386 Q N -0.202 119.663 119.800 0.108 0.000 2.181 386 Q HA -0.184 4.157 4.340 0.001 0.000 0.205 386 Q C 2.069 178.119 176.000 0.082 0.000 0.980 386 Q CA 1.552 57.403 55.803 0.081 0.000 0.862 386 Q CB -0.221 28.555 28.738 0.065 0.000 0.905 386 Q HN 0.563 nan 8.270 nan 0.000 0.429 387 A N -0.663 122.218 122.820 0.101 0.000 2.251 387 A HA 0.338 4.659 4.320 0.001 0.000 0.209 387 A C 1.400 179.066 177.584 0.136 0.000 1.187 387 A CA 0.772 52.869 52.037 0.101 0.000 0.823 387 A CB -0.093 18.959 19.000 0.087 0.000 0.846 387 A HN 0.458 nan 8.150 nan 0.000 0.486 388 G N -2.502 106.386 108.800 0.148 0.000 2.201 388 G HA2 -0.239 3.722 3.960 0.001 0.000 0.212 388 G HA3 -0.239 3.722 3.960 0.001 0.000 0.212 388 G C 0.114 175.123 174.900 0.181 0.000 0.994 388 G CA -0.048 45.133 45.100 0.135 0.000 0.644 388 G HN 0.562 nan 8.290 nan 0.000 0.508 389 W N 2.102 123.423 121.300 0.036 0.000 2.190 389 W HA 0.525 5.185 4.660 0.001 0.000 0.330 389 W C -0.261 176.279 176.519 0.034 0.000 1.299 389 W CA 0.375 57.743 57.345 0.039 0.000 1.215 389 W CB 0.523 30.016 29.460 0.056 0.000 1.147 389 W HN 0.206 nan 8.180 nan 0.000 0.563 390 E N 3.483 123.417 120.200 -0.443 0.000 2.113 390 E HA 0.229 4.580 4.350 0.001 0.000 0.273 390 E C -0.794 175.636 176.600 -0.284 0.000 0.924 390 E CA -0.607 55.624 56.400 -0.282 0.000 0.764 390 E CB 2.153 31.693 29.700 -0.268 0.000 1.104 390 E HN 0.066 nan 8.360 nan 0.000 0.406 391 V N 3.112 123.014 119.914 -0.019 0.000 2.481 391 V HA 0.251 4.372 4.120 0.001 0.000 0.286 391 V C 0.538 176.596 176.094 -0.060 0.000 1.042 391 V CA -0.413 61.906 62.300 0.031 0.000 0.928 391 V CB 1.568 33.395 31.823 0.008 0.000 0.986 391 V HN 0.782 nan 8.190 nan 0.000 0.462 392 T N 0.193 114.717 114.554 -0.050 0.000 2.945 392 T HA 0.376 4.726 4.350 0.001 0.000 0.286 392 T C 0.838 175.501 174.700 -0.062 0.000 1.025 392 T CA -0.470 61.596 62.100 -0.056 0.000 1.039 392 T CB 1.763 70.607 68.868 -0.039 0.000 1.068 392 T HN 0.720 nan 8.240 nan 0.000 0.497 393 E N 0.159 120.327 120.200 -0.054 0.000 2.153 393 E HA -0.183 4.168 4.350 0.001 0.000 0.194 393 E C 1.686 178.272 176.600 -0.024 0.000 0.988 393 E CA 1.044 57.415 56.400 -0.049 0.000 0.811 393 E CB 0.080 29.759 29.700 -0.034 0.000 0.746 393 E HN 0.668 nan 8.360 nan 0.000 0.466 394 E N 0.403 120.597 120.200 -0.010 0.000 2.152 394 E HA -0.153 4.197 4.350 0.001 0.000 0.192 394 E C 1.822 178.440 176.600 0.029 0.000 0.983 394 E CA 0.784 57.190 56.400 0.010 0.000 0.818 394 E CB 0.055 29.761 29.700 0.010 0.000 0.758 394 E HN 0.423 nan 8.360 nan 0.000 0.467 395 E N 0.401 120.620 120.200 0.031 0.000 2.107 395 E HA -0.086 4.265 4.350 0.001 0.000 0.191 395 E C 2.185 178.837 176.600 0.086 0.000 0.982 395 E CA 0.505 56.950 56.400 0.074 0.000 0.809 395 E CB -0.010 29.753 29.700 0.105 0.000 0.756 395 E HN 0.222 nan 8.360 nan 0.000 0.459 396 I N 1.239 121.815 120.570 0.011 0.000 2.142 396 I HA -0.300 3.871 4.170 0.001 0.000 0.240 396 I C 2.247 178.425 176.117 0.101 0.000 1.078 396 I CA 1.260 62.574 61.300 0.024 0.000 1.343 396 I CB -0.229 37.699 38.000 -0.120 0.000 1.046 396 I HN 0.003 nan 8.210 nan 0.000 0.405 397 K N 0.342 120.778 120.400 0.060 0.000 2.103 397 K HA -0.233 4.087 4.320 0.001 0.000 0.207 397 K C 2.288 178.940 176.600 0.087 0.000 1.048 397 K CA 1.338 57.665 56.287 0.067 0.000 0.930 397 K CB -0.245 32.278 32.500 0.038 0.000 0.716 397 K HN 0.268 nan 8.250 nan 0.000 0.444 398 R N 1.245 121.797 120.500 0.086 0.000 2.066 398 R HA -0.160 4.181 4.340 0.001 0.000 0.232 398 R C 1.358 177.723 176.300 0.110 0.000 1.131 398 R CA 2.016 58.170 56.100 0.090 0.000 0.955 398 R CB -0.147 30.204 30.300 0.085 0.000 0.851 398 R HN 0.120 nan 8.270 nan 0.000 0.432 399 D N 0.230 120.714 120.400 0.141 0.000 2.123 399 D HA -0.138 4.503 4.640 0.001 0.000 0.196 399 D C 2.003 178.383 176.300 0.133 0.000 0.992 399 D CA 1.276 55.363 54.000 0.145 0.000 0.833 399 D CB -0.220 40.720 40.800 0.234 0.000 0.954 399 D HN 0.130 nan 8.370 nan 0.000 0.455 400 V N 1.455 121.481 119.914 0.186 0.000 2.358 400 V HA -0.206 3.915 4.120 0.001 0.000 0.246 400 V C 2.561 178.815 176.094 0.266 0.000 1.047 400 V CA 1.647 64.103 62.300 0.259 0.000 1.035 400 V CB -0.795 31.183 31.823 0.258 0.000 0.658 400 V HN 0.179 nan 8.190 nan 0.000 0.452 401 A N -0.076 122.847 122.820 0.171 0.000 1.908 401 A HA -0.277 4.044 4.320 0.001 0.000 0.218 401 A C 2.014 179.677 177.584 0.130 0.000 1.181 401 A CA 2.135 54.259 52.037 0.146 0.000 0.627 401 A CB -0.644 18.417 19.000 0.101 0.000 0.818 401 A HN 0.532 nan 8.150 nan 0.000 0.445 402 D N 0.049 120.503 120.400 0.090 0.000 2.092 402 D HA -0.128 4.513 4.640 0.001 0.000 0.193 402 D C 1.971 178.259 176.300 -0.020 0.000 0.994 402 D CA 1.304 55.332 54.000 0.047 0.000 0.828 402 D CB -0.376 40.439 40.800 0.026 0.000 0.963 402 D HN 0.464 nan 8.370 nan 0.000 0.450 403 L N -0.778 120.388 121.223 -0.095 0.000 2.093 403 L HA -0.107 4.234 4.340 0.001 0.000 0.208 403 L C 2.008 178.661 176.870 -0.362 0.000 1.085 403 L CA 0.803 55.443 54.840 -0.332 0.000 0.755 403 L CB -0.265 41.493 42.059 -0.503 0.000 0.904 403 L HN -0.037 nan 8.230 nan 0.000 0.435 404 F N -2.281 117.652 119.950 -0.028 0.000 2.776 404 F HA 0.065 4.593 4.527 0.001 0.000 0.300 404 F C 2.084 177.857 175.800 -0.045 0.000 1.116 404 F CA 0.443 58.416 58.000 -0.046 0.000 1.375 404 F CB 0.493 39.444 39.000 -0.082 0.000 1.109 404 F HN -0.044 nan 8.300 nan 0.000 0.585 405 S N -1.106 114.691 115.700 0.162 0.000 4.257 405 S HA 0.128 4.598 4.470 0.001 0.000 0.208 405 S C 1.764 176.549 174.600 0.307 0.000 1.152 405 S CA -0.172 58.165 58.200 0.229 0.000 1.110 405 S CB -0.186 63.164 63.200 0.250 0.000 1.434 405 S HN 0.071 nan 8.310 nan 0.000 0.509 406 R N 1.509 122.152 120.500 0.239 0.000 2.115 406 R HA 0.157 4.498 4.340 0.001 0.000 0.226 406 R C 1.704 178.114 176.300 0.185 0.000 1.100 406 R CA 1.418 57.665 56.100 0.245 0.000 0.980 406 R CB -0.354 30.041 30.300 0.158 0.000 0.875 406 R HN 0.348 nan 8.270 nan 0.000 0.445 407 N N 0.898 119.665 118.700 0.111 0.000 2.061 407 N HA -0.207 4.533 4.740 0.001 0.000 0.193 407 N C 1.417 176.979 175.510 0.086 0.000 1.030 407 N CA 1.269 54.362 53.050 0.072 0.000 0.856 407 N CB -0.394 38.090 38.487 -0.006 0.000 1.023 407 N HN 0.115 nan 8.380 nan 0.000 0.424 408 F N 0.031 119.919 119.950 -0.103 0.000 2.051 408 F HA -0.146 4.381 4.527 0.001 0.000 0.296 408 F C 1.964 177.651 175.800 -0.189 0.000 1.122 408 F CA 1.482 59.338 58.000 -0.239 0.000 1.201 408 F CB -0.742 37.958 39.000 -0.500 0.000 0.978 408 F HN 0.067 nan 8.300 nan 0.000 0.472 409 W N 0.572 121.840 121.300 -0.054 0.000 2.363 409 W HA -0.117 4.543 4.660 0.001 0.000 0.296 409 W C 2.818 179.250 176.519 -0.145 0.000 1.212 409 W CA 1.369 58.613 57.345 -0.169 0.000 1.260 409 W CB -0.516 28.938 29.460 -0.010 0.000 1.131 409 W HN -0.055 nan 8.180 nan 0.000 0.530 410 R N -0.164 120.429 120.500 0.154 0.000 2.081 410 R HA -0.213 4.128 4.340 0.001 0.000 0.235 410 R C 2.170 178.499 176.300 0.048 0.000 1.131 410 R CA 1.846 58.004 56.100 0.097 0.000 0.960 410 R CB -0.864 29.503 30.300 0.112 0.000 0.856 410 R HN 0.187 nan 8.270 nan 0.000 0.436 411 F N 0.956 120.827 119.950 -0.131 0.000 2.113 411 F HA -0.155 4.372 4.527 0.001 0.000 0.297 411 F C 1.951 177.626 175.800 -0.209 0.000 1.103 411 F CA 1.655 59.563 58.000 -0.153 0.000 1.248 411 F CB -0.157 38.745 39.000 -0.163 0.000 0.999 411 F HN -0.037 nan 8.300 nan 0.000 0.475 412 V N -1.229 118.506 119.914 -0.298 0.000 3.573 412 V HA 0.326 4.447 4.120 0.001 0.000 0.270 412 V C 1.396 177.373 176.094 -0.194 0.000 1.221 412 V CA 0.647 62.740 62.300 -0.344 0.000 1.163 412 V CB -1.049 30.456 31.823 -0.530 0.000 0.847 412 V HN 0.674 nan 8.190 nan 0.000 0.468 413 G N 0.587 109.311 108.800 -0.127 0.000 2.272 413 G HA2 -0.232 3.729 3.960 0.001 0.000 0.280 413 G HA3 -0.232 3.729 3.960 0.001 0.000 0.280 413 G C 0.126 175.028 174.900 0.004 0.000 1.067 413 G CA 0.659 45.722 45.100 -0.062 0.000 0.902 413 G HN 0.705 nan 8.290 nan 0.000 0.500 414 R N -1.207 119.345 120.500 0.086 0.000 2.885 414 R HA 0.445 4.786 4.340 0.001 0.000 0.260 414 R C -0.589 175.748 176.300 0.062 0.000 1.107 414 R CA -1.077 55.088 56.100 0.107 0.000 0.978 414 R CB 0.841 31.251 30.300 0.184 0.000 1.227 414 R HN 0.181 nan 8.270 nan 0.000 0.473 415 N N 1.058 119.677 118.700 -0.136 0.000 2.466 415 N HA 0.137 4.878 4.740 0.001 0.000 0.294 415 N C -0.876 174.063 175.510 -0.952 0.000 1.129 415 N CA -0.370 52.459 53.050 -0.368 0.000 0.931 415 N CB 1.006 39.356 38.487 -0.229 0.000 1.193 415 N HN 0.502 nan 8.380 nan 0.000 0.500 416 D N -1.374 118.299 120.400 -1.212 0.000 2.414 416 D HA -0.031 4.610 4.640 0.001 0.000 0.251 416 D C 1.405 177.408 176.300 -0.495 0.000 1.252 416 D CA -0.031 53.172 54.000 -1.328 0.000 0.999 416 D CB 0.281 40.460 40.800 -1.035 0.000 1.093 416 D HN 0.596 nan 8.370 nan 0.000 0.515 417 H N -0.621 118.327 119.070 -0.203 0.000 2.353 417 H HA -0.127 4.430 4.556 0.001 0.000 0.300 417 H C 1.471 176.745 175.328 -0.091 0.000 1.090 417 H CA 1.763 57.775 56.048 -0.060 0.000 1.327 417 H CB -0.165 29.601 29.762 0.007 0.000 1.383 417 H HN 0.215 nan 8.280 nan 0.000 0.508 418 V N 1.271 121.121 119.914 -0.107 0.000 2.307 418 V HA -0.200 3.921 4.120 0.001 0.000 0.245 418 V C 2.681 178.719 176.094 -0.094 0.000 1.045 418 V CA 2.104 64.353 62.300 -0.085 0.000 1.024 418 V CB -0.828 30.951 31.823 -0.073 0.000 0.651 418 V HN 0.500 nan 8.190 nan 0.000 0.449 419 T N -0.291 114.183 114.554 -0.134 0.000 2.867 419 T HA -0.142 4.209 4.350 0.001 0.000 0.268 419 T C 2.122 176.758 174.700 -0.107 0.000 1.057 419 T CA 1.637 63.664 62.100 -0.122 0.000 1.136 419 T CB -0.184 68.590 68.868 -0.156 0.000 0.874 419 T HN 0.480 nan 8.240 nan 0.000 0.466 420 S N 0.975 116.602 115.700 -0.122 0.000 2.368 420 S HA -0.057 4.414 4.470 0.001 0.000 0.224 420 S C 2.309 176.877 174.600 -0.053 0.000 1.029 420 S CA 0.693 58.844 58.200 -0.083 0.000 0.988 420 S CB -0.400 62.756 63.200 -0.074 0.000 0.838 420 S HN 0.296 nan 8.310 nan 0.000 0.462 421 V N 1.417 121.299 119.914 -0.052 0.000 2.490 421 V HA -0.133 3.988 4.120 0.001 0.000 0.250 421 V C 2.323 178.396 176.094 -0.035 0.000 1.061 421 V CA 1.644 63.921 62.300 -0.038 0.000 1.064 421 V CB -0.460 31.341 31.823 -0.037 0.000 0.670 421 V HN 0.270 nan 8.190 nan 0.000 0.461 422 K N 0.200 120.575 120.400 -0.042 0.000 2.067 422 K HA 0.212 4.532 4.320 0.001 0.000 0.203 422 K C 0.969 177.549 176.600 -0.032 0.000 1.048 422 K CA 0.974 57.239 56.287 -0.035 0.000 0.954 422 K CB -0.533 31.944 32.500 -0.039 0.000 0.737 422 K HN 0.376 nan 8.250 nan 0.000 0.444 423 V N 0.000 119.891 119.914 -0.038 0.000 2.409 423 V HA 0.000 4.121 4.120 0.001 0.000 0.244 423 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 423 V CB 0.000 31.800 31.823 -0.038 0.000 1.184 423 V HN 0.000 nan 8.190 nan 0.000 0.556