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 2vk9_1_A DATA FIRST_RESID 2 DATA SEQUENCE LITREQLMKI ASIPLKRKEP EYNLILDALE NFNRDIEGTS VKEIYSKLSK DATA SEQUENCE LNELVDNYQT KYPSSGRNLA LENFRDSLYS ELRELIKNSR TSTIASKNLS DATA SEQUENCE FIWIGGPISD QSLEYYNMWK MFNKDYNIRL FYDKNSLLVN TLKTAIIQES DATA SEQUENCE SKVIIEQNQS NILDGTYGHN KFYSDRMKLI YRYKRELKML YENMKQNNSV DATA SEQUENCE DDIIINFLSN YFKYDIGKLN NQKENNNNKM IAIGATDINT ENILTNKLKS DATA SEQUENCE YYYQELIQTN NLAAASDILR IAILKKYGGV YCDLDFLPGV NLSLFNDISK DATA SEQUENCE PNGMDSNYWE AAIFEAIANE KKLMNNYPYK YMEQVPSEIK ERILSFVRNH DATA SEQUENCE DINDLILPLG DIKISQLEIL LSRLKAATGK KTFSNAFIIS NNDSLTLNNL DATA SEQUENCE ISQLENRYEI LNSIIQEKFK ICETYDSYIN SVSELVLETT PKNLSMDGSS DATA SEQUENCE FYQQIIGYLS SGFKPEVNST VFFSGPNIYS SATCDTYHFI KNTFDMLSSQ DATA SEQUENCE NQEIFEASNN LYFSKTHDEF KSSWLLRSNI AEKEFQKLIK 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.946 176.870 0.127 0.000 1.165 2 L CA 0.000 54.911 54.840 0.119 0.000 0.813 2 L CB 0.000 42.127 42.059 0.113 0.000 0.961 3 I N 0.605 121.285 120.570 0.184 0.000 2.945 3 I HA 0.192 4.363 4.170 0.002 0.000 0.292 3 I C 0.463 176.670 176.117 0.150 0.000 1.093 3 I CA -0.146 61.240 61.300 0.142 0.000 1.336 3 I CB 1.389 39.471 38.000 0.136 0.000 1.435 3 I HN 0.653 nan 8.210 nan 0.000 0.593 4 T N 1.951 116.597 114.554 0.153 0.000 2.795 4 T HA 0.101 4.452 4.350 0.002 0.000 0.314 4 T C 0.220 174.982 174.700 0.103 0.000 1.069 4 T CA -0.658 61.514 62.100 0.121 0.000 1.071 4 T CB 0.769 69.711 68.868 0.123 0.000 0.988 4 T HN 0.701 nan 8.240 nan 0.000 0.543 5 R N 1.050 121.584 120.500 0.058 0.000 2.582 5 R HA 0.148 4.489 4.340 0.002 0.000 0.271 5 R C 1.267 177.563 176.300 -0.006 0.000 1.078 5 R CA -0.381 55.739 56.100 0.032 0.000 1.127 5 R CB 0.453 30.765 30.300 0.020 0.000 1.038 5 R HN 1.004 nan 8.270 nan 0.000 0.500 6 E N 1.376 121.561 120.200 -0.026 0.000 2.085 6 E HA -0.236 4.115 4.350 0.002 0.000 0.194 6 E C 1.310 177.860 176.600 -0.085 0.000 0.994 6 E CA 1.425 57.778 56.400 -0.078 0.000 0.801 6 E CB 0.253 29.906 29.700 -0.079 0.000 0.743 6 E HN 0.648 nan 8.360 nan 0.000 0.453 7 Q N 0.327 120.095 119.800 -0.054 0.000 2.079 7 Q HA -0.170 4.171 4.340 0.002 0.000 0.200 7 Q C 2.400 178.379 176.000 -0.036 0.000 0.974 7 Q CA 0.752 56.528 55.803 -0.045 0.000 0.840 7 Q CB -0.576 28.145 28.738 -0.029 0.000 0.898 7 Q HN 0.296 nan 8.270 nan 0.000 0.430 8 L N 0.915 122.123 121.223 -0.025 0.000 2.079 8 L HA -0.142 4.199 4.340 0.002 0.000 0.210 8 L C 2.297 179.153 176.870 -0.024 0.000 1.081 8 L CA 1.646 56.479 54.840 -0.012 0.000 0.752 8 L CB -0.565 41.498 42.059 0.006 0.000 0.896 8 L HN 0.219 nan 8.230 nan 0.000 0.433 9 M N -0.410 119.157 119.600 -0.056 0.000 2.629 9 M HA -0.120 4.361 4.480 0.002 0.000 0.257 9 M C 0.691 176.952 176.300 -0.065 0.000 1.071 9 M CA 1.280 56.519 55.300 -0.103 0.000 1.077 9 M CB -0.472 31.995 32.600 -0.221 0.000 1.423 9 M HN -0.052 nan 8.290 nan 0.000 0.508 10 K N 0.660 121.038 120.400 -0.036 0.000 2.715 10 K HA 0.153 4.474 4.320 0.002 0.000 0.248 10 K C 0.459 177.054 176.600 -0.008 0.000 1.276 10 K CA 0.159 56.443 56.287 -0.004 0.000 1.209 10 K CB -0.762 31.735 32.500 -0.004 0.000 1.509 10 K HN 0.428 nan 8.250 nan 0.000 0.261 11 I N -1.180 119.381 120.570 -0.015 0.000 4.082 11 I HA 0.192 4.363 4.170 0.002 0.000 0.337 11 I C 0.847 176.947 176.117 -0.030 0.000 1.352 11 I CA 0.220 61.512 61.300 -0.014 0.000 1.097 11 I CB 0.628 38.626 38.000 -0.003 0.000 1.048 11 I HN 0.222 nan 8.210 nan 0.000 0.393 12 A N 0.149 122.945 122.820 -0.039 0.000 2.423 12 A HA 0.406 4.727 4.320 0.002 0.000 0.246 12 A C 0.934 178.451 177.584 -0.111 0.000 1.278 12 A CA 0.317 52.296 52.037 -0.098 0.000 0.903 12 A CB -0.730 18.191 19.000 -0.132 0.000 0.997 12 A HN 0.423 nan 8.150 nan 0.000 0.510 13 S N 0.611 116.287 115.700 -0.041 0.000 2.537 13 S HA 0.636 5.107 4.470 0.002 0.000 0.275 13 S C -0.323 174.248 174.600 -0.048 0.000 1.272 13 S CA -0.449 57.734 58.200 -0.028 0.000 1.050 13 S CB 0.657 63.861 63.200 0.007 0.000 0.961 13 S HN 0.118 nan 8.310 nan 0.000 0.496 14 I N 3.660 124.196 120.570 -0.057 0.000 2.378 14 I HA 0.407 4.578 4.170 0.002 0.000 0.291 14 I C -2.360 173.739 176.117 -0.029 0.000 0.992 14 I CA -2.673 58.599 61.300 -0.047 0.000 1.154 14 I CB 0.870 38.833 38.000 -0.061 0.000 1.315 14 I HN 0.482 nan 8.210 nan 0.000 0.448 15 P HA 0.088 nan 4.420 nan 0.000 0.258 15 P C 0.463 177.755 177.300 -0.015 0.000 1.172 15 P CA 0.080 63.171 63.100 -0.015 0.000 0.762 15 P CB 0.280 31.972 31.700 -0.013 0.000 0.764 16 L N -0.357 120.859 121.223 -0.011 0.000 4.040 16 L HA -0.273 4.068 4.340 0.002 0.000 0.410 16 L C 0.591 177.453 176.870 -0.014 0.000 1.187 16 L CA 0.656 55.490 54.840 -0.010 0.000 0.956 16 L CB -1.279 40.774 42.059 -0.010 0.000 2.022 16 L HN 0.456 nan 8.230 nan 0.000 0.897 17 K N 1.267 121.657 120.400 -0.017 0.000 2.240 17 K HA 0.504 4.825 4.320 0.002 0.000 0.271 17 K C 0.437 177.031 176.600 -0.010 0.000 1.018 17 K CA -0.712 55.560 56.287 -0.026 0.000 0.874 17 K CB 0.861 33.332 32.500 -0.048 0.000 1.098 17 K HN 0.068 nan 8.250 nan 0.000 0.458 18 R N 3.024 123.519 120.500 -0.010 0.000 2.679 18 R HA 0.022 4.363 4.340 0.002 0.000 0.268 18 R C -0.247 176.075 176.300 0.037 0.000 1.044 18 R CA 0.277 56.383 56.100 0.010 0.000 1.105 18 R CB 0.418 30.719 30.300 0.002 0.000 0.989 18 R HN 0.492 nan 8.270 nan 0.000 0.447 19 K N 2.559 123.008 120.400 0.082 0.000 2.339 19 K HA 0.020 4.341 4.320 0.002 0.000 0.286 19 K C -0.352 176.333 176.600 0.142 0.000 1.050 19 K CA -0.033 56.368 56.287 0.189 0.000 0.956 19 K CB 0.707 33.283 32.500 0.127 0.000 0.990 19 K HN 0.391 nan 8.250 nan 0.000 0.475 20 E N 4.079 124.397 120.200 0.197 0.000 2.373 20 E HA 0.016 4.367 4.350 0.002 0.000 0.263 20 E C -1.583 175.138 176.600 0.202 0.000 1.073 20 E CA -1.598 54.900 56.400 0.164 0.000 0.894 20 E CB 0.285 30.062 29.700 0.128 0.000 1.008 20 E HN 0.319 nan 8.360 nan 0.000 0.420 21 P HA -0.254 nan 4.420 nan 0.000 0.216 21 P C 0.738 178.131 177.300 0.154 0.000 1.153 21 P CA 1.473 64.645 63.100 0.120 0.000 0.858 21 P CB 0.190 31.948 31.700 0.097 0.000 0.789 22 E N -1.200 119.145 120.200 0.241 0.000 2.338 22 E HA -0.198 4.153 4.350 0.002 0.000 0.197 22 E C 2.005 178.819 176.600 0.356 0.000 1.007 22 E CA 0.828 57.391 56.400 0.273 0.000 0.849 22 E CB -1.234 28.633 29.700 0.280 0.000 0.774 22 E HN 0.307 nan 8.360 nan 0.000 0.506 23 Y N 2.776 123.211 120.300 0.225 0.000 2.243 23 Y HA -0.013 4.539 4.550 0.002 0.000 0.293 23 Y C 1.774 177.647 175.900 -0.044 0.000 1.124 23 Y CA 1.087 59.197 58.100 0.017 0.000 1.159 23 Y CB -0.415 38.025 38.460 -0.033 0.000 1.008 23 Y HN -0.084 nan 8.280 nan 0.000 0.527 24 N N 0.703 119.349 118.700 -0.090 0.000 2.149 24 N HA -0.189 4.552 4.740 0.002 0.000 0.188 24 N C 2.077 177.515 175.510 -0.120 0.000 1.019 24 N CA 1.517 54.452 53.050 -0.191 0.000 0.857 24 N CB -0.568 37.859 38.487 -0.098 0.000 0.997 24 N HN 0.402 nan 8.380 nan 0.000 0.426 25 L N 0.775 121.982 121.223 -0.027 0.000 2.013 25 L HA -0.183 4.158 4.340 0.002 0.000 0.212 25 L C 2.193 179.042 176.870 -0.036 0.000 1.073 25 L CA 1.129 55.963 54.840 -0.010 0.000 0.753 25 L CB -0.470 41.611 42.059 0.036 0.000 0.890 25 L HN 0.120 nan 8.230 nan 0.000 0.432 26 I N -0.844 119.702 120.570 -0.040 0.000 2.179 26 I HA -0.319 3.852 4.170 0.002 0.000 0.242 26 I C 2.342 178.364 176.117 -0.159 0.000 1.088 26 I CA 1.012 62.266 61.300 -0.076 0.000 1.357 26 I CB -0.243 37.711 38.000 -0.077 0.000 1.051 26 I HN 0.185 nan 8.210 nan 0.000 0.409 27 L N 0.335 121.408 121.223 -0.250 0.000 2.131 27 L HA -0.221 4.120 4.340 0.002 0.000 0.210 27 L C 1.904 178.676 176.870 -0.165 0.000 1.092 27 L CA 1.827 56.497 54.840 -0.284 0.000 0.759 27 L CB -1.030 40.777 42.059 -0.420 0.000 0.903 27 L HN 0.236 nan 8.230 nan 0.000 0.435 28 D N -0.985 119.344 120.400 -0.118 0.000 2.137 28 D HA -0.020 4.621 4.640 0.002 0.000 0.202 28 D C 2.249 178.533 176.300 -0.027 0.000 0.970 28 D CA 1.271 55.232 54.000 -0.064 0.000 0.837 28 D CB -0.109 40.662 40.800 -0.049 0.000 0.981 28 D HN 0.252 nan 8.370 nan 0.000 0.475 29 A N 0.713 123.520 122.820 -0.021 0.000 1.933 29 A HA -0.123 4.198 4.320 0.002 0.000 0.218 29 A C 2.106 179.722 177.584 0.054 0.000 1.175 29 A CA 0.943 52.990 52.037 0.016 0.000 0.628 29 A CB -0.681 18.319 19.000 0.000 0.000 0.814 29 A HN 0.232 nan 8.150 nan 0.000 0.444 30 L N -0.151 121.082 121.223 0.015 0.000 2.141 30 L HA -0.100 4.241 4.340 0.002 0.000 0.209 30 L C 2.235 179.152 176.870 0.079 0.000 1.094 30 L CA 2.544 57.418 54.840 0.057 0.000 0.763 30 L CB -0.497 41.533 42.059 -0.049 0.000 0.908 30 L HN 0.526 nan 8.230 nan 0.000 0.437 31 E N -0.249 119.961 120.200 0.018 0.000 2.031 31 E HA -0.225 4.126 4.350 0.002 0.000 0.193 31 E C 1.926 178.551 176.600 0.040 0.000 0.994 31 E CA 1.831 58.238 56.400 0.012 0.000 0.800 31 E CB -0.209 29.477 29.700 -0.023 0.000 0.752 31 E HN 0.504 nan 8.360 nan 0.000 0.447 32 N N -0.441 118.290 118.700 0.052 0.000 2.216 32 N HA -0.120 4.621 4.740 0.002 0.000 0.183 32 N C 1.675 177.229 175.510 0.074 0.000 1.017 32 N CA 0.950 54.029 53.050 0.048 0.000 0.861 32 N CB -0.482 38.029 38.487 0.041 0.000 0.986 32 N HN 0.223 nan 8.380 nan 0.000 0.428 33 F N 2.766 122.712 119.950 -0.007 0.000 2.126 33 F HA -0.134 4.394 4.527 0.002 0.000 0.299 33 F C 1.880 177.683 175.800 0.005 0.000 1.096 33 F CA 1.303 59.303 58.000 -0.001 0.000 1.255 33 F CB -0.194 38.807 39.000 0.002 0.000 0.997 33 F HN -0.028 nan 8.300 nan 0.000 0.479 34 N N 0.263 119.023 118.700 0.099 0.000 2.223 34 N HA -0.175 4.566 4.740 0.002 0.000 0.185 34 N C 2.006 177.465 175.510 -0.085 0.000 1.016 34 N CA 1.247 54.301 53.050 0.007 0.000 0.863 34 N CB -0.443 38.092 38.487 0.079 0.000 0.983 34 N HN 0.412 nan 8.380 nan 0.000 0.429 35 R N 0.622 121.083 120.500 -0.064 0.000 2.055 35 R HA 0.016 4.357 4.340 0.002 0.000 0.221 35 R C -0.505 175.736 176.300 -0.098 0.000 1.154 35 R CA 0.669 56.730 56.100 -0.064 0.000 0.975 35 R CB 0.140 30.420 30.300 -0.033 0.000 0.869 35 R HN -0.037 nan 8.270 nan 0.000 0.437 36 D N 1.441 121.781 120.400 -0.101 0.000 2.551 36 D HA 0.093 4.734 4.640 0.002 0.000 0.223 36 D C 0.286 176.469 176.300 -0.195 0.000 1.144 36 D CA 0.298 54.234 54.000 -0.106 0.000 1.025 36 D CB 0.379 41.147 40.800 -0.053 0.000 1.085 36 D HN 0.456 nan 8.370 nan 0.000 0.506 37 I N -2.263 118.181 120.570 -0.210 0.000 4.102 37 I HA 0.370 4.541 4.170 0.002 0.000 0.325 37 I C 0.364 176.410 176.117 -0.119 0.000 1.471 37 I CA -0.508 60.654 61.300 -0.229 0.000 1.133 37 I CB 0.484 38.266 38.000 -0.363 0.000 1.184 37 I HN -0.205 nan 8.210 nan 0.000 0.451 38 E N 1.517 121.666 120.200 -0.085 0.000 2.235 38 E HA 0.658 5.009 4.350 0.002 0.000 0.265 38 E C 0.774 177.353 176.600 -0.034 0.000 0.940 38 E CA 0.201 56.571 56.400 -0.051 0.000 0.819 38 E CB 1.697 31.371 29.700 -0.043 0.000 1.206 38 E HN 0.331 nan 8.360 nan 0.000 0.409 39 G N 1.489 110.277 108.800 -0.021 0.000 2.249 39 G HA2 -0.243 3.718 3.960 0.002 0.000 0.273 39 G HA3 -0.243 3.718 3.960 0.002 0.000 0.273 39 G C 0.292 175.187 174.900 -0.008 0.000 1.036 39 G CA 0.835 45.927 45.100 -0.012 0.000 0.824 39 G HN 0.545 nan 8.290 nan 0.000 0.504 40 T N -0.848 113.702 114.554 -0.008 0.000 2.910 40 T HA 0.815 5.166 4.350 0.002 0.000 0.287 40 T C 0.331 175.039 174.700 0.013 0.000 1.050 40 T CA 0.560 62.660 62.100 0.001 0.000 1.011 40 T CB 1.546 70.406 68.868 -0.014 0.000 1.195 40 T HN 1.183 nan 8.240 nan 0.000 0.540 41 S N 0.426 116.143 115.700 0.028 0.000 2.599 41 S HA 0.517 4.988 4.470 0.002 0.000 0.294 41 S C 1.131 175.767 174.600 0.061 0.000 1.094 41 S CA -0.757 57.465 58.200 0.038 0.000 0.931 41 S CB 1.216 64.438 63.200 0.036 0.000 1.093 41 S HN 0.404 nan 8.310 nan 0.000 0.488 42 V N 1.909 121.861 119.914 0.063 0.000 2.332 42 V HA -0.196 3.925 4.120 0.002 0.000 0.248 42 V C 2.546 178.720 176.094 0.133 0.000 1.055 42 V CA 1.998 64.353 62.300 0.091 0.000 1.038 42 V CB -0.878 30.988 31.823 0.071 0.000 0.651 42 V HN 0.899 nan 8.190 nan 0.000 0.450 43 K N -0.647 119.816 120.400 0.105 0.000 2.148 43 K HA -0.146 4.175 4.320 0.002 0.000 0.204 43 K C 2.153 178.863 176.600 0.184 0.000 1.050 43 K CA 1.051 57.417 56.287 0.133 0.000 0.942 43 K CB -0.115 32.427 32.500 0.070 0.000 0.724 43 K HN 0.411 nan 8.250 nan 0.000 0.446 44 E N 0.759 121.040 120.200 0.135 0.000 2.208 44 E HA -0.076 4.275 4.350 0.002 0.000 0.193 44 E C 1.949 178.643 176.600 0.157 0.000 0.988 44 E CA 0.701 57.177 56.400 0.127 0.000 0.828 44 E CB -0.027 29.722 29.700 0.081 0.000 0.763 44 E HN 0.355 nan 8.360 nan 0.000 0.478 45 I N 0.096 120.772 120.570 0.176 0.000 2.252 45 I HA -0.282 3.889 4.170 0.002 0.000 0.245 45 I C 2.422 178.708 176.117 0.282 0.000 1.102 45 I CA 1.044 62.486 61.300 0.236 0.000 1.385 45 I CB -0.346 37.779 38.000 0.208 0.000 1.064 45 I HN 0.058 nan 8.210 nan 0.000 0.414 46 Y N 1.834 122.239 120.300 0.175 0.000 2.224 46 Y HA -0.312 4.239 4.550 0.002 0.000 0.289 46 Y C 2.869 178.879 175.900 0.183 0.000 1.146 46 Y CA 1.802 60.030 58.100 0.213 0.000 1.182 46 Y CB -0.174 38.399 38.460 0.189 0.000 0.983 46 Y HN 0.249 nan 8.280 nan 0.000 0.524 47 S N -0.482 115.365 115.700 0.246 0.000 2.383 47 S HA -0.179 4.292 4.470 0.002 0.000 0.227 47 S C 1.920 176.518 174.600 -0.003 0.000 1.026 47 S CA 1.259 59.533 58.200 0.124 0.000 0.981 47 S CB -0.428 62.861 63.200 0.149 0.000 0.818 47 S HN 0.490 nan 8.310 nan 0.000 0.472 48 K N 0.839 121.264 120.400 0.043 0.000 2.097 48 K HA 0.155 4.476 4.320 0.002 0.000 0.205 48 K C 2.055 178.551 176.600 -0.174 0.000 1.050 48 K CA 1.256 57.561 56.287 0.029 0.000 0.938 48 K CB -0.407 32.229 32.500 0.227 0.000 0.718 48 K HN 0.380 nan 8.250 nan 0.000 0.442 49 L N 0.216 121.265 121.223 -0.290 0.000 2.141 49 L HA -0.145 4.196 4.340 0.002 0.000 0.209 49 L C 2.505 178.750 176.870 -1.041 0.000 1.094 49 L CA 0.782 55.212 54.840 -0.683 0.000 0.763 49 L CB -0.303 41.428 42.059 -0.547 0.000 0.908 49 L HN 0.141 nan 8.230 nan 0.000 0.437 50 S N -0.354 114.898 115.700 -0.748 0.000 2.406 50 S HA -0.141 4.330 4.470 0.002 0.000 0.228 50 S C 1.995 176.396 174.600 -0.333 0.000 1.020 50 S CA 1.152 59.011 58.200 -0.568 0.000 0.965 50 S CB 0.094 63.183 63.200 -0.186 0.000 0.798 50 S HN 0.219 nan 8.310 nan 0.000 0.488 51 K N 1.054 121.310 120.400 -0.241 0.000 2.057 51 K HA 0.167 4.488 4.320 0.002 0.000 0.206 51 K C 1.903 178.406 176.600 -0.162 0.000 1.050 51 K CA 1.002 57.205 56.287 -0.140 0.000 0.935 51 K CB -0.397 32.058 32.500 -0.074 0.000 0.715 51 K HN 0.297 nan 8.250 nan 0.000 0.439 52 L N 0.670 121.745 121.223 -0.246 0.000 2.079 52 L HA -0.230 4.111 4.340 0.002 0.000 0.210 52 L C 2.101 178.851 176.870 -0.201 0.000 1.081 52 L CA 1.395 56.115 54.840 -0.199 0.000 0.752 52 L CB -0.413 41.469 42.059 -0.294 0.000 0.896 52 L HN 0.289 nan 8.230 nan 0.000 0.433 53 N N -0.210 118.270 118.700 -0.368 0.000 2.188 53 N HA -0.228 4.513 4.740 0.002 0.000 0.184 53 N C 1.824 177.273 175.510 -0.103 0.000 1.018 53 N CA 1.125 54.008 53.050 -0.277 0.000 0.858 53 N CB 0.091 38.351 38.487 -0.379 0.000 0.989 53 N HN 0.276 nan 8.380 nan 0.000 0.426 54 E N -0.156 119.989 120.200 -0.092 0.000 2.072 54 E HA -0.093 4.258 4.350 0.002 0.000 0.190 54 E C 1.848 178.453 176.600 0.007 0.000 0.982 54 E CA 0.676 57.062 56.400 -0.023 0.000 0.803 54 E CB -0.016 29.671 29.700 -0.022 0.000 0.755 54 E HN 0.397 nan 8.360 nan 0.000 0.453 55 L N 0.260 121.485 121.223 0.004 0.000 2.046 55 L HA -0.190 4.152 4.340 0.002 0.000 0.208 55 L C 2.507 179.437 176.870 0.100 0.000 1.077 55 L CA 0.714 55.583 54.840 0.049 0.000 0.747 55 L CB -0.454 41.626 42.059 0.036 0.000 0.896 55 L HN 0.100 nan 8.230 nan 0.000 0.432 56 V N -0.277 119.688 119.914 0.086 0.000 2.287 56 V HA -0.316 3.805 4.120 0.002 0.000 0.248 56 V C 2.248 178.423 176.094 0.135 0.000 1.053 56 V CA 1.947 64.320 62.300 0.121 0.000 1.027 56 V CB -0.488 31.394 31.823 0.098 0.000 0.646 56 V HN 0.443 nan 8.190 nan 0.000 0.447 57 D N 0.169 120.617 120.400 0.079 0.000 2.092 57 D HA -0.168 4.473 4.640 0.002 0.000 0.193 57 D C 2.065 178.407 176.300 0.070 0.000 0.994 57 D CA 1.465 55.505 54.000 0.067 0.000 0.828 57 D CB -0.376 40.450 40.800 0.042 0.000 0.963 57 D HN 0.379 nan 8.370 nan 0.000 0.450 58 N N -0.019 118.721 118.700 0.067 0.000 2.061 58 N HA -0.209 4.532 4.740 0.002 0.000 0.193 58 N C 1.767 177.305 175.510 0.048 0.000 1.030 58 N CA 0.754 53.830 53.050 0.042 0.000 0.856 58 N CB -0.780 37.736 38.487 0.049 0.000 1.023 58 N HN 0.381 nan 8.380 nan 0.000 0.424 59 Y N 1.700 122.024 120.300 0.042 0.000 2.114 59 Y HA -0.192 4.359 4.550 0.002 0.000 0.284 59 Y C 2.271 178.223 175.900 0.087 0.000 1.143 59 Y CA 1.761 59.927 58.100 0.109 0.000 1.135 59 Y CB -0.295 38.253 38.460 0.147 0.000 0.980 59 Y HN 0.136 nan 8.280 nan 0.000 0.499 60 Q N -1.020 118.930 119.800 0.250 0.000 2.291 60 Q HA -0.158 4.183 4.340 0.002 0.000 0.206 60 Q C 1.979 177.975 176.000 -0.007 0.000 0.976 60 Q CA 1.713 57.603 55.803 0.145 0.000 0.875 60 Q CB -0.114 28.713 28.738 0.149 0.000 0.927 60 Q HN 0.470 nan 8.270 nan 0.000 0.450 61 T N 0.499 115.021 114.554 -0.054 0.000 2.852 61 T HA -0.076 4.275 4.350 0.002 0.000 0.256 61 T C 1.702 176.273 174.700 -0.215 0.000 1.038 61 T CA 0.926 62.968 62.100 -0.097 0.000 1.141 61 T CB 0.023 68.851 68.868 -0.067 0.000 0.869 61 T HN 0.171 nan 8.240 nan 0.000 0.439 62 K N 0.239 120.412 120.400 -0.378 0.000 2.097 62 K HA -0.051 4.270 4.320 0.002 0.000 0.205 62 K C -0.289 175.775 176.600 -0.894 0.000 1.050 62 K CA 1.164 57.035 56.287 -0.693 0.000 0.938 62 K CB 0.029 31.948 32.500 -0.969 0.000 0.718 62 K HN 0.420 nan 8.250 nan 0.000 0.442 63 Y N 0.293 120.398 120.300 -0.325 0.000 2.837 63 Y HA 0.271 4.822 4.550 0.002 0.000 0.356 63 Y C -1.974 173.818 175.900 -0.179 0.000 1.035 63 Y CA -2.365 55.556 58.100 -0.297 0.000 1.165 63 Y CB 1.278 39.441 38.460 -0.496 0.000 1.147 63 Y HN 0.098 nan 8.280 nan 0.000 0.628 64 P HA -0.180 nan 4.420 nan 0.000 0.219 64 P C 1.105 178.424 177.300 0.032 0.000 1.146 64 P CA 1.608 64.710 63.100 0.003 0.000 0.808 64 P CB 0.306 31.998 31.700 -0.013 0.000 0.779 65 S N -2.445 113.278 115.700 0.038 0.000 2.572 65 S HA 0.149 4.620 4.470 0.002 0.000 0.228 65 S C 0.893 175.516 174.600 0.038 0.000 0.963 65 S CA -0.456 57.764 58.200 0.034 0.000 0.939 65 S CB -0.698 62.515 63.200 0.022 0.000 0.804 65 S HN 0.028 nan 8.310 nan 0.000 0.480 66 S N 0.762 116.500 115.700 0.063 0.000 2.572 66 S HA 0.442 4.913 4.470 0.002 0.000 0.279 66 S C 1.413 176.042 174.600 0.048 0.000 1.341 66 S CA 0.082 58.316 58.200 0.057 0.000 1.043 66 S CB 0.627 63.909 63.200 0.137 0.000 0.887 66 S HN 0.512 nan 8.310 nan 0.000 0.516 67 G N 3.113 111.915 108.800 0.004 0.000 2.650 67 G HA2 -0.030 3.931 3.960 0.002 0.000 0.214 67 G HA3 -0.030 3.931 3.960 0.002 0.000 0.214 67 G C 1.336 176.214 174.900 -0.037 0.000 1.136 67 G CA -0.137 44.954 45.100 -0.016 0.000 0.789 67 G HN 0.782 nan 8.290 nan 0.000 0.536 68 R N 0.227 120.695 120.500 -0.054 0.000 2.240 68 R HA 0.052 4.393 4.340 0.002 0.000 0.203 68 R C 1.813 178.055 176.300 -0.097 0.000 1.011 68 R CA 0.287 56.286 56.100 -0.168 0.000 1.007 68 R CB -0.097 29.935 30.300 -0.447 0.000 0.911 68 R HN 0.174 nan 8.270 nan 0.000 0.468 69 N N 1.543 120.262 118.700 0.032 0.000 2.069 69 N HA -0.184 4.557 4.740 0.002 0.000 0.191 69 N C 1.686 177.214 175.510 0.030 0.000 1.031 69 N CA 1.032 54.123 53.050 0.069 0.000 0.852 69 N CB -0.279 38.272 38.487 0.106 0.000 1.018 69 N HN 0.108 nan 8.380 nan 0.000 0.423 70 L N 0.863 122.096 121.223 0.017 0.000 2.046 70 L HA -0.025 4.316 4.340 0.002 0.000 0.208 70 L C 2.021 178.899 176.870 0.014 0.000 1.077 70 L CA 1.616 56.466 54.840 0.017 0.000 0.747 70 L CB -0.921 41.145 42.059 0.013 0.000 0.896 70 L HN 0.155 nan 8.230 nan 0.000 0.432 71 A N -0.686 122.128 122.820 -0.009 0.000 1.902 71 A HA -0.163 4.158 4.320 0.002 0.000 0.217 71 A C 2.267 179.867 177.584 0.028 0.000 1.181 71 A CA 1.976 54.009 52.037 -0.006 0.000 0.623 71 A CB -0.856 18.115 19.000 -0.049 0.000 0.818 71 A HN 0.496 nan 8.150 nan 0.000 0.443 72 L N -1.227 119.997 121.223 0.002 0.000 2.217 72 L HA -0.117 4.224 4.340 0.002 0.000 0.211 72 L C 2.565 179.507 176.870 0.120 0.000 1.107 72 L CA 1.383 56.262 54.840 0.066 0.000 0.783 72 L CB -0.257 41.783 42.059 -0.031 0.000 0.919 72 L HN 0.428 nan 8.230 nan 0.000 0.442 73 E N 0.410 120.645 120.200 0.059 0.000 2.072 73 E HA -0.170 4.181 4.350 0.002 0.000 0.190 73 E C 1.926 178.531 176.600 0.008 0.000 0.982 73 E CA 1.068 57.485 56.400 0.029 0.000 0.803 73 E CB 0.065 29.785 29.700 0.034 0.000 0.755 73 E HN 0.297 nan 8.360 nan 0.000 0.453 74 N N -0.082 118.639 118.700 0.036 0.000 2.149 74 N HA -0.174 4.567 4.740 0.002 0.000 0.188 74 N C 1.582 177.108 175.510 0.026 0.000 1.019 74 N CA 1.113 54.182 53.050 0.032 0.000 0.857 74 N CB -0.537 37.978 38.487 0.048 0.000 0.997 74 N HN 0.240 nan 8.380 nan 0.000 0.426 75 F N 2.309 122.211 119.950 -0.081 0.000 2.134 75 F HA -0.087 4.441 4.527 0.002 0.000 0.299 75 F C 2.476 178.173 175.800 -0.172 0.000 1.097 75 F CA 1.293 59.229 58.000 -0.107 0.000 1.264 75 F CB -0.287 38.653 39.000 -0.100 0.000 1.001 75 F HN -0.084 nan 8.300 nan 0.000 0.479 76 R N 0.419 120.682 120.500 -0.395 0.000 2.091 76 R HA -0.186 4.155 4.340 0.002 0.000 0.238 76 R C 1.790 177.626 176.300 -0.773 0.000 1.136 76 R CA 2.096 57.823 56.100 -0.621 0.000 0.959 76 R CB -0.736 29.356 30.300 -0.347 0.000 0.856 76 R HN 0.237 nan 8.270 nan 0.000 0.437 77 D N 0.140 120.252 120.400 -0.480 0.000 2.228 77 D HA -0.145 4.496 4.640 0.002 0.000 0.203 77 D C 1.876 178.012 176.300 -0.274 0.000 0.988 77 D CA 1.805 55.605 54.000 -0.332 0.000 0.864 77 D CB -0.113 40.670 40.800 -0.028 0.000 0.928 77 D HN 0.409 nan 8.370 nan 0.000 0.469 78 S N -0.401 115.106 115.700 -0.322 0.000 2.461 78 S HA 0.005 4.476 4.470 0.002 0.000 0.228 78 S C 2.130 176.562 174.600 -0.280 0.000 1.005 78 S CA 0.076 58.144 58.200 -0.221 0.000 0.942 78 S CB -0.417 62.682 63.200 -0.169 0.000 0.776 78 S HN 0.240 nan 8.310 nan 0.000 0.514 79 L N -0.397 120.524 121.223 -0.502 0.000 2.083 79 L HA -0.074 4.267 4.340 0.002 0.000 0.209 79 L C 2.458 179.302 176.870 -0.044 0.000 1.083 79 L CA 1.291 55.892 54.840 -0.398 0.000 0.752 79 L CB -0.853 40.842 42.059 -0.607 0.000 0.899 79 L HN 0.258 nan 8.230 nan 0.000 0.433 80 Y N -0.138 120.119 120.300 -0.072 0.000 2.200 80 Y HA -0.138 4.413 4.550 0.002 0.000 0.290 80 Y C 2.953 178.834 175.900 -0.031 0.000 1.137 80 Y CA 0.680 58.666 58.100 -0.190 0.000 1.163 80 Y CB -1.094 37.235 38.460 -0.219 0.000 0.988 80 Y HN 0.070 nan 8.280 nan 0.000 0.518 81 S N -0.393 115.407 115.700 0.167 0.000 2.423 81 S HA -0.178 4.293 4.470 0.002 0.000 0.231 81 S C 1.948 176.616 174.600 0.114 0.000 1.014 81 S CA 1.364 59.649 58.200 0.141 0.000 0.965 81 S CB -0.136 63.121 63.200 0.095 0.000 0.785 81 S HN 0.425 nan 8.310 nan 0.000 0.495 82 E N 1.410 121.660 120.200 0.084 0.000 2.112 82 E HA 0.060 4.411 4.350 0.002 0.000 0.190 82 E C 1.860 178.551 176.600 0.152 0.000 0.979 82 E CA 0.531 56.994 56.400 0.104 0.000 0.814 82 E CB -0.315 29.419 29.700 0.057 0.000 0.762 82 E HN 0.417 nan 8.360 nan 0.000 0.460 83 L N 0.172 121.500 121.223 0.174 0.000 2.017 83 L HA -0.174 4.167 4.340 0.002 0.000 0.208 83 L C 2.454 179.432 176.870 0.179 0.000 1.073 83 L CA 1.389 56.353 54.840 0.207 0.000 0.745 83 L CB -0.148 41.998 42.059 0.145 0.000 0.894 83 L HN 0.122 nan 8.230 nan 0.000 0.432 84 R N -0.510 120.101 120.500 0.186 0.000 2.103 84 R HA -0.199 4.143 4.340 0.002 0.000 0.242 84 R C 2.159 178.519 176.300 0.099 0.000 1.142 84 R CA 1.608 57.799 56.100 0.152 0.000 0.960 84 R CB -0.226 30.180 30.300 0.176 0.000 0.858 84 R HN 0.389 nan 8.270 nan 0.000 0.439 85 E N 0.493 120.757 120.200 0.107 0.000 2.107 85 E HA -0.151 4.200 4.350 0.002 0.000 0.191 85 E C 1.951 178.604 176.600 0.088 0.000 0.982 85 E CA 0.709 57.161 56.400 0.088 0.000 0.809 85 E CB -0.159 29.596 29.700 0.091 0.000 0.756 85 E HN 0.152 nan 8.360 nan 0.000 0.459 86 L N 0.888 122.181 121.223 0.117 0.000 2.056 86 L HA -0.084 4.257 4.340 0.002 0.000 0.207 86 L C 2.174 179.099 176.870 0.091 0.000 1.078 86 L CA 1.226 56.139 54.840 0.121 0.000 0.749 86 L CB -0.371 41.795 42.059 0.178 0.000 0.901 86 L HN 0.037 nan 8.230 nan 0.000 0.433 87 I N -0.649 119.968 120.570 0.079 0.000 2.179 87 I HA -0.333 3.838 4.170 0.002 0.000 0.242 87 I C 2.418 178.542 176.117 0.012 0.000 1.088 87 I CA 1.438 62.755 61.300 0.028 0.000 1.357 87 I CB -0.320 37.663 38.000 -0.028 0.000 1.051 87 I HN 0.218 nan 8.210 nan 0.000 0.409 88 K N 0.762 121.173 120.400 0.018 0.000 2.097 88 K HA -0.173 4.148 4.320 0.002 0.000 0.206 88 K C 1.511 178.126 176.600 0.024 0.000 1.049 88 K CA 1.595 57.892 56.287 0.015 0.000 0.933 88 K CB -0.255 32.258 32.500 0.021 0.000 0.717 88 K HN 0.464 nan 8.250 nan 0.000 0.442 89 N N -0.356 118.364 118.700 0.034 0.000 2.236 89 N HA -0.041 4.700 4.740 0.002 0.000 0.196 89 N C 0.764 176.294 175.510 0.033 0.000 1.114 89 N CA 0.492 53.562 53.050 0.033 0.000 0.859 89 N CB 0.623 39.132 38.487 0.036 0.000 0.982 89 N HN 0.002 nan 8.380 nan 0.000 0.493 90 S N 0.513 116.234 115.700 0.035 0.000 2.535 90 S HA 0.071 4.542 4.470 0.002 0.000 0.214 90 S C 1.330 175.945 174.600 0.025 0.000 0.980 90 S CA -0.595 57.624 58.200 0.033 0.000 0.907 90 S CB -0.294 62.931 63.200 0.042 0.000 0.790 90 S HN 0.483 nan 8.310 nan 0.000 0.510 91 R N 0.749 121.262 120.500 0.022 0.000 2.555 91 R HA 0.303 4.645 4.340 0.002 0.000 0.272 91 R C -0.240 176.074 176.300 0.024 0.000 1.089 91 R CA -0.177 55.935 56.100 0.021 0.000 1.126 91 R CB -0.437 29.874 30.300 0.017 0.000 1.250 91 R HN 0.056 nan 8.270 nan 0.000 0.551 92 T N 1.666 116.234 114.554 0.024 0.000 2.795 92 T HA 0.109 4.460 4.350 0.002 0.000 0.282 92 T C 0.218 174.931 174.700 0.022 0.000 0.980 92 T CA 0.359 62.473 62.100 0.024 0.000 1.012 92 T CB 1.188 70.070 68.868 0.023 0.000 0.936 92 T HN 0.560 nan 8.240 nan 0.000 0.457 93 S N 2.427 118.141 115.700 0.022 0.000 3.559 93 S HA -0.165 4.306 4.470 0.002 0.000 0.369 93 S C 0.021 174.632 174.600 0.019 0.000 0.987 93 S CA 0.798 59.010 58.200 0.020 0.000 1.187 93 S CB -2.570 60.640 63.200 0.017 0.000 0.914 93 S HN 1.280 nan 8.310 nan 0.000 0.480 94 T N -1.020 113.547 114.554 0.022 0.000 3.032 94 T HA 0.708 5.059 4.350 0.002 0.000 0.312 94 T C -0.342 174.373 174.700 0.026 0.000 1.078 94 T CA -0.517 61.595 62.100 0.020 0.000 1.028 94 T CB 1.531 70.410 68.868 0.018 0.000 1.091 94 T HN 1.406 nan 8.240 nan 0.000 0.457 95 I N 0.256 120.840 120.570 0.024 0.000 2.892 95 I HA 0.946 5.117 4.170 0.002 0.000 0.306 95 I C 0.093 176.227 176.117 0.029 0.000 1.078 95 I CA -1.796 59.523 61.300 0.033 0.000 1.032 95 I CB 1.783 39.802 38.000 0.031 0.000 1.229 95 I HN 0.866 nan 8.210 nan 0.000 0.435 96 A N 2.986 125.834 122.820 0.047 0.000 2.425 96 A HA 0.457 4.778 4.320 0.002 0.000 0.249 96 A C 0.469 178.069 177.584 0.025 0.000 1.084 96 A CA -0.197 51.868 52.037 0.046 0.000 0.781 96 A CB -0.107 18.939 19.000 0.076 0.000 1.019 96 A HN 0.794 nan 8.150 nan 0.000 0.490 97 S N 1.047 116.758 115.700 0.019 0.000 2.558 97 S HA 0.027 4.498 4.470 0.002 0.000 0.287 97 S C 0.510 175.089 174.600 -0.034 0.000 1.321 97 S CA 0.208 58.407 58.200 -0.002 0.000 1.048 97 S CB 0.266 63.484 63.200 0.031 0.000 0.844 97 S HN 0.553 nan 8.310 nan 0.000 0.512 98 K N 2.834 123.137 120.400 -0.161 0.000 2.751 98 K HA 0.155 4.476 4.320 0.002 0.000 0.252 98 K C -0.574 175.955 176.600 -0.118 0.000 1.277 98 K CA -0.164 55.843 56.287 -0.466 0.000 1.226 98 K CB -0.257 31.795 32.500 -0.747 0.000 1.658 98 K HN 0.370 nan 8.250 nan 0.000 0.303 99 N N 1.785 120.560 118.700 0.126 0.000 2.342 99 N HA 0.278 5.019 4.740 0.002 0.000 0.293 99 N C -1.328 174.315 175.510 0.222 0.000 1.026 99 N CA -0.667 52.490 53.050 0.178 0.000 0.857 99 N CB 1.982 40.542 38.487 0.123 0.000 1.256 99 N HN 0.114 nan 8.380 nan 0.000 0.484 100 L N 1.276 122.587 121.223 0.147 0.000 2.349 100 L HA 0.555 4.896 4.340 0.002 0.000 0.278 100 L C -0.715 176.043 176.870 -0.187 0.000 0.996 100 L CA -0.175 54.591 54.840 -0.123 0.000 0.825 100 L CB 1.402 43.346 42.059 -0.192 0.000 1.243 100 L HN 0.357 nan 8.230 nan 0.000 0.412 101 S N 4.532 120.022 115.700 -0.350 0.000 2.513 101 S HA 0.787 5.258 4.470 0.002 0.000 0.299 101 S C -1.033 173.296 174.600 -0.453 0.000 1.087 101 S CA -0.264 57.866 58.200 -0.116 0.000 1.012 101 S CB 1.072 64.380 63.200 0.180 0.000 1.044 101 S HN 0.408 nan 8.310 nan 0.000 0.485 102 F N 1.240 121.276 119.950 0.144 0.000 2.593 102 F HA 0.665 5.193 4.527 0.002 0.000 0.320 102 F C -0.131 175.852 175.800 0.304 0.000 1.060 102 F CA -0.928 57.123 58.000 0.085 0.000 0.940 102 F CB 1.216 40.217 39.000 0.002 0.000 1.268 102 F HN 0.302 nan 8.300 nan 0.000 0.475 103 I N 1.406 122.288 120.570 0.520 0.000 2.545 103 I HA 0.265 4.436 4.170 0.002 0.000 0.292 103 I C -1.564 174.807 176.117 0.422 0.000 1.040 103 I CA -0.585 60.975 61.300 0.434 0.000 1.068 103 I CB 2.293 40.487 38.000 0.324 0.000 1.251 103 I HN 0.558 nan 8.210 nan 0.000 0.424 104 W N 8.776 130.175 121.300 0.166 0.000 2.631 104 W HA 0.574 5.235 4.660 0.002 0.000 0.321 104 W C -1.751 174.859 176.519 0.153 0.000 1.004 104 W CA -0.588 56.822 57.345 0.108 0.000 1.291 104 W CB 1.569 31.039 29.460 0.017 0.000 1.300 104 W HN 0.380 nan 8.180 nan 0.000 0.422 105 I N 2.008 122.359 120.570 -0.364 0.000 2.693 105 I HA 0.904 5.075 4.170 0.002 0.000 0.303 105 I C 0.912 176.864 176.117 -0.275 0.000 1.025 105 I CA -0.398 60.811 61.300 -0.152 0.000 1.086 105 I CB 2.035 40.026 38.000 -0.015 0.000 1.268 105 I HN 0.616 nan 8.210 nan 0.000 0.440 106 G N 2.055 110.819 108.800 -0.060 0.000 2.157 106 G HA2 0.169 4.130 3.960 0.002 0.000 0.248 106 G HA3 0.169 4.130 3.960 0.002 0.000 0.248 106 G C 0.229 175.138 174.900 0.015 0.000 0.979 106 G CA -0.045 45.027 45.100 -0.046 0.000 0.650 106 G HN 1.846 nan 8.290 nan 0.000 0.529 107 G N -1.208 107.653 108.800 0.102 0.000 2.320 107 G HA2 0.698 4.659 3.960 0.002 0.000 0.296 107 G HA3 0.698 4.659 3.960 0.002 0.000 0.296 107 G C -3.223 171.879 174.900 0.337 0.000 1.306 107 G CA 0.139 45.355 45.100 0.194 0.000 0.836 107 G HN 0.507 nan 8.290 nan 0.000 0.517 108 P HA 0.340 nan 4.420 nan 0.000 0.271 108 P C -0.149 177.283 177.300 0.221 0.000 1.216 108 P CA -0.171 63.052 63.100 0.205 0.000 0.776 108 P CB 1.549 33.316 31.700 0.112 0.000 0.881 109 I N 1.977 122.514 120.570 -0.055 0.000 2.581 109 I HA 0.082 4.253 4.170 0.002 0.000 0.288 109 I C 0.891 176.766 176.117 -0.404 0.000 1.047 109 I CA -0.128 60.815 61.300 -0.594 0.000 1.374 109 I CB 1.076 38.687 38.000 -0.649 0.000 1.423 109 I HN 0.457 nan 8.210 nan 0.000 0.549 110 S N 3.794 119.174 115.700 -0.533 0.000 2.652 110 S HA 0.209 4.680 4.470 0.002 0.000 0.270 110 S C 0.451 174.904 174.600 -0.245 0.000 1.243 110 S CA -0.595 57.425 58.200 -0.299 0.000 0.999 110 S CB 1.417 64.451 63.200 -0.277 0.000 0.973 110 S HN 0.657 nan 8.310 nan 0.000 0.544 111 D N 0.779 121.098 120.400 -0.135 0.000 2.224 111 D HA 0.000 4.641 4.640 0.002 0.000 0.205 111 D C 1.931 178.202 176.300 -0.048 0.000 0.965 111 D CA 1.074 55.027 54.000 -0.078 0.000 0.852 111 D CB -0.302 40.480 40.800 -0.031 0.000 0.947 111 D HN 0.608 nan 8.370 nan 0.000 0.494 112 Q N 0.095 119.857 119.800 -0.063 0.000 2.084 112 Q HA -0.036 4.305 4.340 0.002 0.000 0.202 112 Q C 2.226 178.151 176.000 -0.124 0.000 0.978 112 Q CA 1.149 56.944 55.803 -0.014 0.000 0.844 112 Q CB -0.216 28.494 28.738 -0.047 0.000 0.898 112 Q HN 0.059 nan 8.270 nan 0.000 0.426 113 S N 0.389 115.903 115.700 -0.310 0.000 2.383 113 S HA -0.109 4.362 4.470 0.002 0.000 0.229 113 S C 1.758 176.286 174.600 -0.120 0.000 1.030 113 S CA 0.927 58.924 58.200 -0.339 0.000 1.002 113 S CB -0.274 62.610 63.200 -0.526 0.000 0.829 113 S HN 0.303 nan 8.310 nan 0.000 0.467 114 L N 1.155 122.322 121.223 -0.095 0.000 2.131 114 L HA -0.095 4.246 4.340 0.002 0.000 0.210 114 L C 2.624 179.563 176.870 0.115 0.000 1.092 114 L CA 1.045 55.891 54.840 0.010 0.000 0.759 114 L CB -0.547 41.500 42.059 -0.021 0.000 0.903 114 L HN 0.307 nan 8.230 nan 0.000 0.435 115 E N -0.238 120.049 120.200 0.146 0.000 2.046 115 E HA -0.178 4.173 4.350 0.002 0.000 0.190 115 E C 2.190 178.942 176.600 0.254 0.000 0.982 115 E CA 1.262 57.777 56.400 0.191 0.000 0.800 115 E CB -0.258 29.581 29.700 0.232 0.000 0.756 115 E HN 0.552 nan 8.360 nan 0.000 0.449 116 Y N -0.380 119.956 120.300 0.061 0.000 2.165 116 Y HA -0.288 4.263 4.550 0.002 0.000 0.286 116 Y C 2.473 178.473 175.900 0.167 0.000 1.155 116 Y CA 1.091 59.247 58.100 0.093 0.000 1.164 116 Y CB -0.282 38.256 38.460 0.130 0.000 0.978 116 Y HN 0.112 nan 8.280 nan 0.000 0.513 117 Y N 1.277 121.637 120.300 0.100 0.000 2.181 117 Y HA -0.272 4.279 4.550 0.002 0.000 0.288 117 Y C 2.219 178.144 175.900 0.042 0.000 1.146 117 Y CA 1.649 59.693 58.100 -0.094 0.000 1.164 117 Y CB -0.740 37.583 38.460 -0.229 0.000 0.982 117 Y HN 0.125 nan 8.280 nan 0.000 0.515 118 N N -0.299 118.431 118.700 0.051 0.000 2.223 118 N HA -0.210 4.531 4.740 0.002 0.000 0.185 118 N C 1.809 177.315 175.510 -0.006 0.000 1.016 118 N CA 1.431 54.460 53.050 -0.035 0.000 0.863 118 N CB -0.318 38.178 38.487 0.016 0.000 0.983 118 N HN 0.430 nan 8.380 nan 0.000 0.429 119 M N -1.013 118.611 119.600 0.039 0.000 2.099 119 M HA 0.012 4.493 4.480 0.002 0.000 0.262 119 M C 1.392 177.735 176.300 0.072 0.000 1.067 119 M CA 1.475 56.793 55.300 0.030 0.000 1.124 119 M CB -0.586 31.947 32.600 -0.112 0.000 1.353 119 M HN 0.283 nan 8.290 nan 0.000 0.410 120 W N 0.723 122.066 121.300 0.071 0.000 2.338 120 W HA -0.197 4.464 4.660 0.002 0.000 0.304 120 W C 2.365 178.904 176.519 0.032 0.000 1.212 120 W CA 1.486 58.890 57.345 0.099 0.000 1.264 120 W CB -0.352 29.209 29.460 0.169 0.000 1.142 120 W HN 0.161 nan 8.180 nan 0.000 0.512 121 K N -0.390 120.079 120.400 0.114 0.000 2.097 121 K HA -0.186 4.135 4.320 0.002 0.000 0.206 121 K C 1.994 178.585 176.600 -0.016 0.000 1.049 121 K CA 1.626 57.902 56.287 -0.018 0.000 0.933 121 K CB -0.452 31.940 32.500 -0.180 0.000 0.717 121 K HN 0.208 nan 8.250 nan 0.000 0.442 122 M N -0.853 118.710 119.600 -0.061 0.000 2.229 122 M HA -0.115 4.366 4.480 0.002 0.000 0.264 122 M C 0.997 177.071 176.300 -0.378 0.000 1.063 122 M CA 1.582 56.726 55.300 -0.259 0.000 1.114 122 M CB 0.112 32.467 32.600 -0.408 0.000 1.387 122 M HN 0.056 nan 8.290 nan 0.000 0.420 123 F N -0.851 119.089 119.950 -0.016 0.000 2.678 123 F HA 0.181 4.710 4.527 0.002 0.000 0.305 123 F C 0.429 176.260 175.800 0.052 0.000 1.090 123 F CA -0.017 57.977 58.000 -0.011 0.000 1.272 123 F CB 0.404 39.355 39.000 -0.083 0.000 1.060 123 F HN 0.049 nan 8.300 nan 0.000 0.576 124 N N 0.395 119.225 118.700 0.217 0.000 2.703 124 N HA 0.111 4.852 4.740 0.002 0.000 0.283 124 N C 0.457 176.112 175.510 0.242 0.000 1.851 124 N CA 0.031 53.227 53.050 0.244 0.000 0.826 124 N CB 0.647 39.239 38.487 0.175 0.000 1.239 124 N HN 0.209 nan 8.380 nan 0.000 0.495 125 K N 0.249 120.748 120.400 0.164 0.000 2.439 125 K HA -0.057 4.264 4.320 0.002 0.000 0.197 125 K C 0.795 177.476 176.600 0.135 0.000 1.041 125 K CA 0.809 57.165 56.287 0.115 0.000 0.970 125 K CB 0.220 32.750 32.500 0.050 0.000 0.773 125 K HN 0.301 nan 8.250 nan 0.000 0.479 126 D N -0.611 119.905 120.400 0.193 0.000 2.328 126 D HA -0.087 4.554 4.640 0.002 0.000 0.226 126 D C -0.247 176.093 176.300 0.067 0.000 1.066 126 D CA 0.097 54.170 54.000 0.121 0.000 0.861 126 D CB -0.135 40.724 40.800 0.098 0.000 0.912 126 D HN 0.027 nan 8.370 nan 0.000 0.521 127 Y N 0.477 120.818 120.300 0.068 0.000 2.446 127 Y HA 0.346 4.897 4.550 0.002 0.000 0.338 127 Y C 0.412 176.341 175.900 0.049 0.000 1.055 127 Y CA -1.240 56.898 58.100 0.064 0.000 1.101 127 Y CB 1.176 39.687 38.460 0.085 0.000 1.221 127 Y HN -0.252 nan 8.280 nan 0.000 0.460 128 N N 3.396 122.188 118.700 0.154 0.000 2.406 128 N HA 0.287 5.028 4.740 0.002 0.000 0.251 128 N C -0.944 174.646 175.510 0.133 0.000 1.069 128 N CA 0.072 53.188 53.050 0.111 0.000 0.947 128 N CB 0.464 38.992 38.487 0.068 0.000 1.111 128 N HN 0.502 nan 8.380 nan 0.000 0.497 129 I N 2.599 123.241 120.570 0.120 0.000 2.336 129 I HA 0.362 4.533 4.170 0.002 0.000 0.292 129 I C 0.483 176.670 176.117 0.118 0.000 0.991 129 I CA -0.502 60.883 61.300 0.141 0.000 1.227 129 I CB 1.091 39.174 38.000 0.138 0.000 1.366 129 I HN 0.159 nan 8.210 nan 0.000 0.466 130 R N 4.940 125.507 120.500 0.111 0.000 2.744 130 R HA 0.676 5.017 4.340 0.002 0.000 0.279 130 R C -1.632 174.691 176.300 0.040 0.000 0.977 130 R CA -1.043 55.010 56.100 -0.079 0.000 0.906 130 R CB 2.664 32.666 30.300 -0.496 0.000 1.197 130 R HN 0.324 nan 8.270 nan 0.000 0.463 131 L N 2.822 123.971 121.223 -0.123 0.000 2.343 131 L HA 0.519 4.860 4.340 0.002 0.000 0.278 131 L C -1.661 175.124 176.870 -0.143 0.000 0.996 131 L CA -0.362 54.442 54.840 -0.060 0.000 0.831 131 L CB 1.003 42.864 42.059 -0.329 0.000 1.232 131 L HN 0.464 nan 8.230 nan 0.000 0.413 132 F N 5.971 126.025 119.950 0.175 0.000 2.421 132 F HA 0.611 5.139 4.527 0.002 0.000 0.337 132 F C -0.216 175.752 175.800 0.280 0.000 1.105 132 F CA -0.070 58.043 58.000 0.187 0.000 1.049 132 F CB 1.315 40.376 39.000 0.101 0.000 1.139 132 F HN 0.569 nan 8.300 nan 0.000 0.479 133 Y N -0.051 120.382 120.300 0.222 0.000 2.644 133 Y HA 0.566 5.117 4.550 0.002 0.000 0.338 133 Y C -1.884 174.101 175.900 0.142 0.000 1.119 133 Y CA -2.030 56.170 58.100 0.167 0.000 1.060 133 Y CB 1.189 39.736 38.460 0.145 0.000 1.294 133 Y HN 0.428 nan 8.280 nan 0.000 0.472 134 D N 1.959 122.299 120.400 -0.099 0.000 2.464 134 D HA 0.180 4.821 4.640 0.002 0.000 0.243 134 D C 0.536 176.705 176.300 -0.218 0.000 1.104 134 D CA -0.334 53.557 54.000 -0.182 0.000 0.883 134 D CB 1.362 42.200 40.800 0.063 0.000 1.050 134 D HN 0.804 nan 8.370 nan 0.000 0.524 135 K N 2.862 122.953 120.400 -0.515 0.000 2.160 135 K HA -0.136 4.185 4.320 0.002 0.000 0.206 135 K C 0.932 177.536 176.600 0.007 0.000 1.047 135 K CA 1.141 57.306 56.287 -0.204 0.000 0.930 135 K CB 0.158 32.538 32.500 -0.199 0.000 0.720 135 K HN 0.414 nan 8.250 nan 0.000 0.450 136 N N -0.163 118.542 118.700 0.007 0.000 2.463 136 N HA -0.060 4.681 4.740 0.002 0.000 0.181 136 N C -0.347 175.223 175.510 0.102 0.000 1.078 136 N CA 0.428 53.520 53.050 0.070 0.000 0.902 136 N CB 0.338 38.879 38.487 0.090 0.000 0.970 136 N HN 0.091 nan 8.380 nan 0.000 0.451 137 S N 0.045 115.805 115.700 0.101 0.000 2.279 137 S HA 0.340 4.811 4.470 0.002 0.000 0.176 137 S C -0.169 174.487 174.600 0.094 0.000 1.554 137 S CA -0.692 57.567 58.200 0.098 0.000 1.242 137 S CB 0.064 63.325 63.200 0.102 0.000 1.163 137 S HN 0.085 nan 8.310 nan 0.000 0.449 138 L N 2.184 123.472 121.223 0.108 0.000 2.906 138 L HA 0.476 4.817 4.340 0.002 0.000 0.255 138 L C 0.640 177.576 176.870 0.109 0.000 1.166 138 L CA 0.167 55.086 54.840 0.132 0.000 0.977 138 L CB 0.334 42.494 42.059 0.168 0.000 1.313 138 L HN 0.580 nan 8.230 nan 0.000 0.549 139 L N -1.652 119.623 121.223 0.086 0.000 3.016 139 L HA 0.150 4.491 4.340 0.002 0.000 0.267 139 L C 1.698 178.604 176.870 0.060 0.000 1.182 139 L CA -0.180 54.710 54.840 0.083 0.000 0.997 139 L CB 0.800 42.913 42.059 0.091 0.000 1.354 139 L HN -0.017 nan 8.230 nan 0.000 0.569 140 V N 0.172 120.105 119.914 0.032 0.000 2.343 140 V HA -0.276 3.845 4.120 0.002 0.000 0.247 140 V C 2.222 178.319 176.094 0.005 0.000 1.051 140 V CA 2.306 64.603 62.300 -0.004 0.000 1.036 140 V CB -0.573 31.218 31.823 -0.054 0.000 0.654 140 V HN 0.554 nan 8.190 nan 0.000 0.451 141 N N 0.339 119.045 118.700 0.011 0.000 2.120 141 N HA -0.183 4.558 4.740 0.002 0.000 0.188 141 N C 1.812 177.356 175.510 0.057 0.000 1.024 141 N CA 2.185 55.249 53.050 0.023 0.000 0.852 141 N CB -0.365 38.147 38.487 0.041 0.000 1.003 141 N HN 0.398 nan 8.380 nan 0.000 0.424 142 T N 0.456 115.058 114.554 0.079 0.000 2.746 142 T HA -0.113 4.238 4.350 0.002 0.000 0.267 142 T C 1.732 176.492 174.700 0.099 0.000 1.039 142 T CA 1.106 63.269 62.100 0.104 0.000 1.142 142 T CB -0.375 68.568 68.868 0.125 0.000 0.866 142 T HN 0.230 nan 8.240 nan 0.000 0.444 143 L N 1.412 122.684 121.223 0.082 0.000 2.017 143 L HA 0.005 4.346 4.340 0.002 0.000 0.208 143 L C 2.322 179.256 176.870 0.107 0.000 1.073 143 L CA 1.947 56.840 54.840 0.089 0.000 0.745 143 L CB -0.539 41.556 42.059 0.060 0.000 0.894 143 L HN 0.066 nan 8.230 nan 0.000 0.432 144 K N -1.268 119.185 120.400 0.088 0.000 2.032 144 K HA -0.183 4.138 4.320 0.002 0.000 0.209 144 K C 1.924 178.600 176.600 0.126 0.000 1.048 144 K CA 2.048 58.407 56.287 0.119 0.000 0.927 144 K CB -0.303 32.215 32.500 0.029 0.000 0.712 144 K HN 0.436 nan 8.250 nan 0.000 0.441 145 T N 0.970 115.576 114.554 0.087 0.000 2.635 145 T HA -0.211 4.140 4.350 0.002 0.000 0.267 145 T C 1.859 176.619 174.700 0.100 0.000 1.040 145 T CA 1.626 63.782 62.100 0.092 0.000 1.156 145 T CB -0.426 68.498 68.868 0.092 0.000 0.863 145 T HN 0.453 nan 8.240 nan 0.000 0.430 146 A N 1.683 124.555 122.820 0.087 0.000 1.883 146 A HA -0.107 4.214 4.320 0.002 0.000 0.217 146 A C 2.255 179.795 177.584 -0.072 0.000 1.186 146 A CA 1.403 53.438 52.037 -0.004 0.000 0.624 146 A CB -0.783 18.160 19.000 -0.096 0.000 0.822 146 A HN 0.402 nan 8.150 nan 0.000 0.444 147 I N -0.058 120.568 120.570 0.093 0.000 2.151 147 I HA -0.266 3.905 4.170 0.002 0.000 0.243 147 I C 2.481 178.734 176.117 0.226 0.000 1.080 147 I CA 1.450 62.868 61.300 0.196 0.000 1.339 147 I CB -1.294 36.892 38.000 0.309 0.000 1.039 147 I HN 0.334 nan 8.210 nan 0.000 0.409 148 I N 0.090 120.814 120.570 0.257 0.000 2.110 148 I HA -0.293 3.878 4.170 0.002 0.000 0.236 148 I C 2.685 178.905 176.117 0.172 0.000 1.068 148 I CA 1.182 62.636 61.300 0.256 0.000 1.333 148 I CB -0.476 37.658 38.000 0.224 0.000 1.054 148 I HN 0.249 nan 8.210 nan 0.000 0.402 149 Q N 0.283 120.151 119.800 0.114 0.000 2.135 149 Q HA -0.259 4.082 4.340 0.002 0.000 0.204 149 Q C 2.064 178.081 176.000 0.028 0.000 0.981 149 Q CA 1.558 57.412 55.803 0.085 0.000 0.856 149 Q CB -0.329 28.452 28.738 0.071 0.000 0.902 149 Q HN 0.422 nan 8.270 nan 0.000 0.425 150 E N 0.145 120.290 120.200 -0.092 0.000 2.158 150 E HA -0.074 4.277 4.350 0.002 0.000 0.191 150 E C 1.915 178.516 176.600 0.001 0.000 0.982 150 E CA 1.115 57.377 56.400 -0.230 0.000 0.823 150 E CB 0.096 29.233 29.700 -0.937 0.000 0.766 150 E HN 0.351 nan 8.360 nan 0.000 0.468 151 S N -1.381 114.410 115.700 0.151 0.000 2.425 151 S HA 0.021 4.492 4.470 0.002 0.000 0.225 151 S C 2.142 176.810 174.600 0.113 0.000 1.024 151 S CA 0.688 59.020 58.200 0.221 0.000 0.951 151 S CB -0.117 63.214 63.200 0.218 0.000 0.796 151 S HN 0.059 nan 8.310 nan 0.000 0.498 152 S N 2.319 118.111 115.700 0.153 0.000 2.353 152 S HA -0.121 4.350 4.470 0.002 0.000 0.222 152 S C 1.852 176.588 174.600 0.228 0.000 1.035 152 S CA 1.630 59.996 58.200 0.276 0.000 1.025 152 S CB -0.453 62.962 63.200 0.360 0.000 0.902 152 S HN 0.639 nan 8.310 nan 0.000 0.440 153 K N 0.805 121.289 120.400 0.139 0.000 2.020 153 K HA -0.144 4.177 4.320 0.002 0.000 0.212 153 K C 1.975 178.628 176.600 0.089 0.000 1.050 153 K CA 1.700 58.042 56.287 0.092 0.000 0.929 153 K CB -0.396 32.137 32.500 0.054 0.000 0.714 153 K HN 0.168 nan 8.250 nan 0.000 0.443 154 V N 1.523 121.495 119.914 0.096 0.000 2.392 154 V HA -0.259 3.862 4.120 0.002 0.000 0.249 154 V C 2.266 178.399 176.094 0.065 0.000 1.059 154 V CA 1.376 63.729 62.300 0.088 0.000 1.051 154 V CB -0.349 31.549 31.823 0.125 0.000 0.658 154 V HN 0.361 nan 8.190 nan 0.000 0.455 155 I N -0.778 119.836 120.570 0.074 0.000 2.480 155 I HA -0.064 4.107 4.170 0.002 0.000 0.251 155 I C 2.261 178.418 176.117 0.066 0.000 1.124 155 I CA 1.322 62.661 61.300 0.066 0.000 1.444 155 I CB -0.747 37.271 38.000 0.030 0.000 1.098 155 I HN 0.250 nan 8.210 nan 0.000 0.428 156 I N 0.831 121.481 120.570 0.133 0.000 2.226 156 I HA -0.273 3.898 4.170 0.002 0.000 0.245 156 I C 2.231 178.324 176.117 -0.040 0.000 1.100 156 I CA 1.420 62.747 61.300 0.046 0.000 1.374 156 I CB -0.216 37.821 38.000 0.061 0.000 1.057 156 I HN 0.250 nan 8.210 nan 0.000 0.413 157 E N 0.181 120.376 120.200 -0.009 0.000 2.285 157 E HA -0.176 4.175 4.350 0.002 0.000 0.194 157 E C 1.962 178.540 176.600 -0.036 0.000 0.997 157 E CA 0.431 56.819 56.400 -0.021 0.000 0.845 157 E CB 0.033 29.734 29.700 0.001 0.000 0.782 157 E HN 0.509 nan 8.360 nan 0.000 0.491 158 Q N 0.263 120.040 119.800 -0.038 0.000 2.500 158 Q HA -0.007 4.334 4.340 0.002 0.000 0.213 158 Q C 0.304 176.245 176.000 -0.099 0.000 0.974 158 Q CA 0.576 56.352 55.803 -0.045 0.000 0.918 158 Q CB 0.229 28.956 28.738 -0.019 0.000 0.980 158 Q HN 0.234 nan 8.270 nan 0.000 0.505 159 N N -0.171 118.428 118.700 -0.168 0.000 2.588 159 N HA 0.086 4.827 4.740 0.002 0.000 0.298 159 N C 0.188 175.589 175.510 -0.182 0.000 1.718 159 N CA 0.006 52.907 53.050 -0.249 0.000 0.888 159 N CB 0.807 38.924 38.487 -0.616 0.000 1.389 159 N HN 0.208 nan 8.380 nan 0.000 0.491 160 Q N 0.545 120.282 119.800 -0.105 0.000 1.993 160 Q HA -0.054 4.287 4.340 0.002 0.000 0.202 160 Q C 1.508 177.471 176.000 -0.061 0.000 0.984 160 Q CA 1.505 57.263 55.803 -0.074 0.000 0.837 160 Q CB 0.040 28.749 28.738 -0.048 0.000 0.902 160 Q HN 0.210 nan 8.270 nan 0.000 0.423 161 S N 1.156 116.828 115.700 -0.048 0.000 2.382 161 S HA -0.091 4.380 4.470 0.002 0.000 0.228 161 S C 1.452 176.035 174.600 -0.029 0.000 1.027 161 S CA 0.657 58.838 58.200 -0.031 0.000 0.991 161 S CB -0.225 62.963 63.200 -0.020 0.000 0.823 161 S HN 0.297 nan 8.310 nan 0.000 0.469 162 N N 1.777 120.449 118.700 -0.045 0.000 2.551 162 N HA -0.012 4.729 4.740 0.002 0.000 0.199 162 N C 1.053 176.556 175.510 -0.011 0.000 1.277 162 N CA 0.179 53.213 53.050 -0.025 0.000 0.870 162 N CB -0.232 38.228 38.487 -0.044 0.000 1.028 162 N HN 0.569 nan 8.380 nan 0.000 0.452 163 I N -2.863 117.693 120.570 -0.024 0.000 3.419 163 I HA 0.061 4.232 4.170 0.002 0.000 0.286 163 I C 0.687 176.815 176.117 0.019 0.000 1.268 163 I CA 0.598 61.894 61.300 -0.006 0.000 1.414 163 I CB -0.154 37.825 38.000 -0.035 0.000 1.074 163 I HN -0.098 nan 8.210 nan 0.000 0.457 164 L N 3.214 124.447 121.223 0.018 0.000 2.511 164 L HA 0.135 4.476 4.340 0.002 0.000 0.239 164 L C 0.043 176.937 176.870 0.039 0.000 1.400 164 L CA 0.137 54.990 54.840 0.023 0.000 1.226 164 L CB -1.326 40.742 42.059 0.015 0.000 1.475 164 L HN 0.335 nan 8.230 nan 0.000 0.428 165 D N 0.977 121.410 120.400 0.055 0.000 2.782 165 D HA -0.220 4.421 4.640 0.002 0.000 0.231 165 D C 1.455 177.802 176.300 0.079 0.000 1.163 165 D CA 0.838 54.881 54.000 0.073 0.000 0.680 165 D CB -0.188 40.647 40.800 0.059 0.000 1.062 165 D HN 0.729 nan 8.370 nan 0.000 0.425 166 G N 0.095 108.946 108.800 0.084 0.000 2.524 166 G HA2 -0.233 3.728 3.960 0.002 0.000 0.215 166 G HA3 -0.233 3.728 3.960 0.002 0.000 0.215 166 G C 1.309 176.271 174.900 0.104 0.000 1.239 166 G CA 1.782 46.930 45.100 0.080 0.000 0.798 166 G HN 0.402 nan 8.290 nan 0.000 0.557 167 T N -2.233 112.421 114.554 0.167 0.000 3.041 167 T HA 0.259 4.610 4.350 0.002 0.000 0.276 167 T C -0.087 174.746 174.700 0.221 0.000 0.948 167 T CA -0.526 61.682 62.100 0.180 0.000 0.885 167 T CB 0.204 69.182 68.868 0.184 0.000 1.175 167 T HN 0.197 nan 8.240 nan 0.000 0.529 168 Y N 1.713 122.044 120.300 0.052 0.000 2.832 168 Y HA 0.561 5.112 4.550 0.002 0.000 0.372 168 Y C 0.948 176.888 175.900 0.066 0.000 1.238 168 Y CA -0.766 57.372 58.100 0.064 0.000 1.713 168 Y CB 0.278 38.773 38.460 0.059 0.000 1.809 168 Y HN 0.265 nan 8.280 nan 0.000 0.472 169 G N -1.273 107.586 108.800 0.099 0.000 2.482 169 G HA2 0.336 4.297 3.960 0.002 0.000 0.317 169 G HA3 0.336 4.297 3.960 0.002 0.000 0.317 169 G C -0.868 174.123 174.900 0.151 0.000 1.241 169 G CA -0.754 44.413 45.100 0.112 0.000 0.967 169 G HN 0.606 nan 8.290 nan 0.000 0.482 170 H N 0.136 119.235 119.070 0.048 0.000 2.820 170 H HA -0.242 4.315 4.556 0.002 0.000 0.295 170 H C 0.745 176.124 175.328 0.086 0.000 1.187 170 H CA 0.946 57.031 56.048 0.061 0.000 1.144 170 H CB -1.809 27.980 29.762 0.046 0.000 1.354 170 H HN 0.916 nan 8.280 nan 0.000 0.395 171 N N -0.943 117.793 118.700 0.060 0.000 2.727 171 N HA -0.250 4.491 4.740 0.002 0.000 0.251 171 N C 0.970 176.526 175.510 0.076 0.000 1.040 171 N CA 0.836 53.941 53.050 0.093 0.000 0.712 171 N CB -0.410 38.218 38.487 0.234 0.000 0.912 171 N HN 0.679 nan 8.380 nan 0.000 0.545 172 K N -0.104 120.242 120.400 -0.090 0.000 2.442 172 K HA -0.150 4.171 4.320 0.002 0.000 0.198 172 K C 1.514 177.926 176.600 -0.313 0.000 1.044 172 K CA 0.860 56.995 56.287 -0.254 0.000 0.948 172 K CB -0.086 32.114 32.500 -0.499 0.000 0.762 172 K HN 0.443 nan 8.250 nan 0.000 0.472 173 F N 0.948 120.685 119.950 -0.355 0.000 2.043 173 F HA -0.309 4.219 4.527 0.002 0.000 0.297 173 F C 1.392 177.104 175.800 -0.146 0.000 1.121 173 F CA 1.833 59.726 58.000 -0.179 0.000 1.199 173 F CB -0.604 38.220 39.000 -0.294 0.000 0.968 173 F HN 0.044 nan 8.300 nan 0.000 0.478 174 Y N 0.098 120.398 120.300 -0.000 0.000 2.333 174 Y HA -0.159 4.392 4.550 0.001 0.000 0.290 174 Y C 2.753 178.587 175.900 -0.109 0.000 1.144 174 Y CA 1.288 59.326 58.100 -0.104 0.000 1.228 174 Y CB -1.268 37.232 38.460 0.066 0.000 0.985 174 Y HN 0.052 nan 8.280 nan 0.000 0.542 175 S N -0.323 115.415 115.700 0.063 0.000 2.355 175 S HA -0.174 4.297 4.470 0.002 0.000 0.222 175 S C 1.632 176.225 174.600 -0.011 0.000 1.031 175 S CA 1.444 59.670 58.200 0.044 0.000 0.993 175 S CB -0.280 62.940 63.200 0.034 0.000 0.859 175 S HN 0.481 nan 8.310 nan 0.000 0.453 176 D N 0.663 121.023 120.400 -0.066 0.000 2.149 176 D HA -0.036 4.605 4.640 0.002 0.000 0.201 176 D C 2.128 178.351 176.300 -0.127 0.000 0.972 176 D CA 0.621 54.592 54.000 -0.048 0.000 0.835 176 D CB -0.155 40.675 40.800 0.050 0.000 0.966 176 D HN 0.245 nan 8.370 nan 0.000 0.476 177 R N 0.177 120.515 120.500 -0.271 0.000 2.081 177 R HA -0.141 4.200 4.340 0.002 0.000 0.235 177 R C 2.203 178.368 176.300 -0.225 0.000 1.131 177 R CA 1.099 57.003 56.100 -0.327 0.000 0.960 177 R CB -0.151 29.783 30.300 -0.611 0.000 0.856 177 R HN 0.023 nan 8.270 nan 0.000 0.436 178 M N 1.151 120.636 119.600 -0.192 0.000 2.159 178 M HA -0.118 4.363 4.480 0.002 0.000 0.263 178 M C 1.558 177.621 176.300 -0.395 0.000 1.063 178 M CA 1.758 56.884 55.300 -0.290 0.000 1.110 178 M CB 0.045 32.484 32.600 -0.268 0.000 1.374 178 M HN -0.014 nan 8.290 nan 0.000 0.411 179 K N -0.601 119.673 120.400 -0.212 0.000 2.103 179 K HA -0.179 4.143 4.320 0.002 0.000 0.207 179 K C 1.881 178.405 176.600 -0.127 0.000 1.048 179 K CA 1.477 57.706 56.287 -0.096 0.000 0.930 179 K CB -0.468 32.036 32.500 0.007 0.000 0.716 179 K HN 0.312 nan 8.250 nan 0.000 0.444 180 L N 1.026 122.119 121.223 -0.218 0.000 2.127 180 L HA 0.012 4.353 4.340 0.002 0.000 0.203 180 L C 1.910 178.436 176.870 -0.575 0.000 1.080 180 L CA 1.125 55.741 54.840 -0.373 0.000 0.768 180 L CB -0.086 41.759 42.059 -0.358 0.000 0.924 180 L HN 0.079 nan 8.230 nan 0.000 0.444 181 I N -1.313 119.015 120.570 -0.404 0.000 2.194 181 I HA -0.380 3.791 4.170 0.002 0.000 0.246 181 I C 2.369 178.295 176.117 -0.318 0.000 1.093 181 I CA 1.752 62.852 61.300 -0.333 0.000 1.355 181 I CB -0.452 37.312 38.000 -0.393 0.000 1.046 181 I HN 0.356 nan 8.210 nan 0.000 0.413 182 Y N 1.788 121.821 120.300 -0.446 0.000 2.114 182 Y HA -0.316 4.235 4.550 0.002 0.000 0.282 182 Y C 2.743 178.513 175.900 -0.216 0.000 1.165 182 Y CA 1.758 59.653 58.100 -0.343 0.000 1.148 182 Y CB -0.306 37.939 38.460 -0.358 0.000 0.972 182 Y HN -0.041 nan 8.280 nan 0.000 0.504 183 R N -1.079 119.324 120.500 -0.162 0.000 2.096 183 R HA -0.198 4.143 4.340 0.002 0.000 0.235 183 R C 2.244 178.489 176.300 -0.090 0.000 1.127 183 R CA 1.970 57.969 56.100 -0.169 0.000 0.968 183 R CB -0.633 29.604 30.300 -0.105 0.000 0.861 183 R HN 0.528 nan 8.270 nan 0.000 0.440 184 Y N 0.406 120.662 120.300 -0.073 0.000 2.114 184 Y HA -0.246 4.305 4.550 0.002 0.000 0.284 184 Y C 2.353 178.151 175.900 -0.171 0.000 1.143 184 Y CA 0.877 58.974 58.100 -0.003 0.000 1.135 184 Y CB -0.018 38.531 38.460 0.148 0.000 0.980 184 Y HN 0.014 nan 8.280 nan 0.000 0.499 185 K N 0.074 120.427 120.400 -0.078 0.000 2.097 185 K HA -0.203 4.118 4.320 0.002 0.000 0.206 185 K C 2.155 178.684 176.600 -0.119 0.000 1.049 185 K CA 1.121 57.307 56.287 -0.168 0.000 0.933 185 K CB -0.197 32.191 32.500 -0.188 0.000 0.717 185 K HN 0.225 nan 8.250 nan 0.000 0.442 186 R N 1.169 121.500 120.500 -0.282 0.000 2.090 186 R HA -0.091 4.250 4.340 0.002 0.000 0.228 186 R C 1.720 177.864 176.300 -0.259 0.000 1.110 186 R CA 1.234 57.051 56.100 -0.472 0.000 0.973 186 R CB 0.177 29.955 30.300 -0.869 0.000 0.869 186 R HN 0.241 nan 8.270 nan 0.000 0.440 187 E N 0.097 120.184 120.200 -0.189 0.000 2.158 187 E HA -0.152 4.199 4.350 0.002 0.000 0.191 187 E C 1.809 178.285 176.600 -0.207 0.000 0.982 187 E CA 0.459 56.777 56.400 -0.137 0.000 0.823 187 E CB 0.078 29.719 29.700 -0.099 0.000 0.766 187 E HN 0.135 nan 8.360 nan 0.000 0.468 188 L N 1.739 122.731 121.223 -0.385 0.000 2.056 188 L HA -0.161 4.180 4.340 0.002 0.000 0.207 188 L C 2.165 178.891 176.870 -0.240 0.000 1.078 188 L CA 1.789 56.273 54.840 -0.594 0.000 0.749 188 L CB -0.162 41.312 42.059 -0.975 0.000 0.901 188 L HN -0.117 nan 8.230 nan 0.000 0.433 189 K N -1.036 119.290 120.400 -0.124 0.000 2.097 189 K HA -0.173 4.148 4.320 0.002 0.000 0.205 189 K C 2.105 178.744 176.600 0.065 0.000 1.050 189 K CA 1.670 57.972 56.287 0.026 0.000 0.938 189 K CB -0.124 32.472 32.500 0.160 0.000 0.718 189 K HN 0.330 nan 8.250 nan 0.000 0.442 190 M N 0.731 120.333 119.600 0.003 0.000 2.080 190 M HA -0.206 4.275 4.480 0.002 0.000 0.260 190 M C 2.122 178.438 176.300 0.027 0.000 1.068 190 M CA 1.484 56.792 55.300 0.014 0.000 1.109 190 M CB -0.168 32.430 32.600 -0.003 0.000 1.342 190 M HN 0.183 nan 8.290 nan 0.000 0.405 191 L N -1.401 119.835 121.223 0.022 0.000 1.989 191 L HA -0.278 4.063 4.340 0.002 0.000 0.211 191 L C 2.575 179.465 176.870 0.034 0.000 1.071 191 L CA 1.782 56.645 54.840 0.039 0.000 0.749 191 L CB -0.820 41.269 42.059 0.049 0.000 0.890 191 L HN 0.310 nan 8.230 nan 0.000 0.431 192 Y N 1.150 121.404 120.300 -0.077 0.000 2.114 192 Y HA -0.312 4.239 4.550 0.002 0.000 0.282 192 Y C 2.628 178.492 175.900 -0.061 0.000 1.165 192 Y CA 1.843 59.896 58.100 -0.078 0.000 1.148 192 Y CB -0.147 38.254 38.460 -0.097 0.000 0.972 192 Y HN 0.174 nan 8.280 nan 0.000 0.504 193 E N 0.289 120.465 120.200 -0.040 0.000 2.160 193 E HA -0.220 4.131 4.350 0.002 0.000 0.195 193 E C 1.716 178.224 176.600 -0.154 0.000 0.991 193 E CA 1.480 57.814 56.400 -0.111 0.000 0.810 193 E CB -0.532 29.180 29.700 0.020 0.000 0.742 193 E HN 0.721 nan 8.360 nan 0.000 0.466 194 N N -0.566 118.070 118.700 -0.105 0.000 2.416 194 N HA 0.063 4.804 4.740 0.002 0.000 0.177 194 N C 1.613 177.056 175.510 -0.112 0.000 1.036 194 N CA 0.411 53.411 53.050 -0.082 0.000 0.901 194 N CB 0.140 38.606 38.487 -0.034 0.000 0.976 194 N HN 0.118 nan 8.380 nan 0.000 0.444 195 M N 0.370 119.873 119.600 -0.162 0.000 2.421 195 M HA 0.054 4.535 4.480 0.002 0.000 0.258 195 M C 1.724 177.886 176.300 -0.231 0.000 1.122 195 M CA 0.210 55.419 55.300 -0.151 0.000 1.078 195 M CB 0.362 32.906 32.600 -0.093 0.000 1.380 195 M HN 0.022 nan 8.290 nan 0.000 0.499 196 K N 0.067 120.220 120.400 -0.412 0.000 2.211 196 K HA -0.144 4.177 4.320 0.002 0.000 0.204 196 K C 1.590 178.013 176.600 -0.294 0.000 1.047 196 K CA 1.105 57.081 56.287 -0.517 0.000 0.935 196 K CB -0.204 31.741 32.500 -0.925 0.000 0.728 196 K HN 0.226 nan 8.250 nan 0.000 0.452 197 Q N 0.658 120.330 119.800 -0.213 0.000 2.230 197 Q HA -0.027 4.314 4.340 0.002 0.000 0.202 197 Q C 0.870 176.808 176.000 -0.103 0.000 0.963 197 Q CA 1.260 56.980 55.803 -0.139 0.000 0.866 197 Q CB -0.004 28.670 28.738 -0.106 0.000 0.931 197 Q HN 0.491 nan 8.270 nan 0.000 0.452 198 N N -0.308 118.333 118.700 -0.098 0.000 2.227 198 N HA 0.070 4.811 4.740 0.002 0.000 0.196 198 N C -0.391 175.087 175.510 -0.053 0.000 1.142 198 N CA 0.088 53.100 53.050 -0.063 0.000 0.887 198 N CB 0.635 39.092 38.487 -0.050 0.000 1.022 198 N HN 0.087 nan 8.380 nan 0.000 0.500 199 N N -0.341 118.317 118.700 -0.071 0.000 2.240 199 N HA 0.231 4.972 4.740 0.002 0.000 0.302 199 N C -0.746 174.746 175.510 -0.030 0.000 1.106 199 N CA -0.302 52.724 53.050 -0.041 0.000 0.778 199 N CB 2.177 40.643 38.487 -0.034 0.000 1.431 199 N HN -0.000 nan 8.380 nan 0.000 0.479 200 S N -0.476 115.231 115.700 0.012 0.000 2.592 200 S HA 0.182 4.653 4.470 0.002 0.000 0.271 200 S C 1.581 176.228 174.600 0.079 0.000 1.326 200 S CA -0.730 57.499 58.200 0.047 0.000 1.024 200 S CB 0.991 64.227 63.200 0.060 0.000 0.921 200 S HN 0.282 nan 8.310 nan 0.000 0.527 201 V N 1.520 121.513 119.914 0.132 0.000 2.313 201 V HA -0.243 3.878 4.120 0.002 0.000 0.253 201 V C 2.251 178.408 176.094 0.105 0.000 1.070 201 V CA 2.510 64.903 62.300 0.155 0.000 1.057 201 V CB -0.970 30.962 31.823 0.183 0.000 0.653 201 V HN 0.878 nan 8.190 nan 0.000 0.450 202 D N -0.346 120.111 120.400 0.095 0.000 2.117 202 D HA -0.145 4.496 4.640 0.002 0.000 0.197 202 D C 1.980 178.328 176.300 0.081 0.000 0.987 202 D CA 1.341 55.393 54.000 0.086 0.000 0.829 202 D CB -0.396 40.456 40.800 0.087 0.000 0.961 202 D HN 0.456 nan 8.370 nan 0.000 0.460 203 D N 0.288 120.731 120.400 0.071 0.000 2.123 203 D HA -0.106 4.535 4.640 0.002 0.000 0.196 203 D C 2.310 178.651 176.300 0.068 0.000 0.992 203 D CA 0.475 54.512 54.000 0.062 0.000 0.833 203 D CB -0.179 40.647 40.800 0.043 0.000 0.954 203 D HN 0.304 nan 8.370 nan 0.000 0.455 204 I N 0.702 121.316 120.570 0.073 0.000 2.252 204 I HA -0.215 3.956 4.170 0.002 0.000 0.245 204 I C 2.447 178.627 176.117 0.105 0.000 1.102 204 I CA 0.656 62.007 61.300 0.084 0.000 1.385 204 I CB -0.139 37.926 38.000 0.108 0.000 1.064 204 I HN -0.054 nan 8.210 nan 0.000 0.414 205 I N 0.772 121.399 120.570 0.095 0.000 2.142 205 I HA -0.308 3.863 4.170 0.002 0.000 0.240 205 I C 2.502 178.705 176.117 0.143 0.000 1.078 205 I CA 1.695 63.065 61.300 0.117 0.000 1.343 205 I CB -0.312 37.739 38.000 0.085 0.000 1.046 205 I HN 0.135 nan 8.210 nan 0.000 0.405 206 I N 0.704 121.339 120.570 0.109 0.000 2.248 206 I HA -0.358 3.813 4.170 0.002 0.000 0.248 206 I C 2.474 178.647 176.117 0.093 0.000 1.107 206 I CA 1.361 62.720 61.300 0.099 0.000 1.373 206 I CB -0.619 37.433 38.000 0.086 0.000 1.055 206 I HN 0.397 nan 8.210 nan 0.000 0.418 207 N N 0.936 119.697 118.700 0.102 0.000 2.084 207 N HA -0.234 4.507 4.740 0.002 0.000 0.190 207 N C 1.970 177.556 175.510 0.126 0.000 1.030 207 N CA 1.615 54.726 53.050 0.100 0.000 0.849 207 N CB -0.161 38.386 38.487 0.101 0.000 1.012 207 N HN 0.267 nan 8.380 nan 0.000 0.423 208 F N 1.780 121.719 119.950 -0.019 0.000 2.113 208 F HA -0.010 4.518 4.527 0.002 0.000 0.297 208 F C 2.226 177.945 175.800 -0.134 0.000 1.103 208 F CA 1.032 58.982 58.000 -0.084 0.000 1.248 208 F CB -0.400 38.496 39.000 -0.173 0.000 0.999 208 F HN -0.015 nan 8.300 nan 0.000 0.475 209 L N -0.179 120.958 121.223 -0.143 0.000 2.156 209 L HA -0.149 4.192 4.340 0.002 0.000 0.208 209 L C 2.625 179.407 176.870 -0.147 0.000 1.095 209 L CA 1.307 55.969 54.840 -0.296 0.000 0.770 209 L CB -0.880 41.045 42.059 -0.224 0.000 0.914 209 L HN 0.336 nan 8.230 nan 0.000 0.439 210 S N -0.987 114.695 115.700 -0.030 0.000 2.388 210 S HA -0.054 4.417 4.470 0.002 0.000 0.223 210 S C 1.688 176.264 174.600 -0.041 0.000 1.034 210 S CA 0.465 58.684 58.200 0.032 0.000 0.963 210 S CB -0.280 62.951 63.200 0.052 0.000 0.827 210 S HN 0.390 nan 8.310 nan 0.000 0.481 211 N N 0.310 118.958 118.700 -0.086 0.000 2.300 211 N HA 0.046 4.787 4.740 0.002 0.000 0.179 211 N C 1.134 176.436 175.510 -0.348 0.000 1.016 211 N CA 1.195 54.150 53.050 -0.159 0.000 0.876 211 N CB -0.259 38.167 38.487 -0.102 0.000 0.979 211 N HN 0.501 nan 8.380 nan 0.000 0.432 212 Y N -0.984 118.968 120.300 -0.581 0.000 2.441 212 Y HA 0.205 4.756 4.550 0.002 0.000 0.288 212 Y C 1.170 176.617 175.900 -0.755 0.000 1.118 212 Y CA 0.495 58.085 58.100 -0.850 0.000 1.215 212 Y CB 0.098 37.640 38.460 -1.530 0.000 1.118 212 Y HN -0.075 nan 8.280 nan 0.000 0.547 213 F N -0.603 119.245 119.950 -0.170 0.000 2.688 213 F HA 0.254 4.783 4.527 0.002 0.000 0.310 213 F C 0.501 176.393 175.800 0.152 0.000 1.098 213 F CA -0.407 57.574 58.000 -0.031 0.000 1.228 213 F CB 0.254 39.193 39.000 -0.102 0.000 1.042 213 F HN -0.335 nan 8.300 nan 0.000 0.557 214 K N 0.385 120.900 120.400 0.191 0.000 3.035 214 K HA -0.243 4.078 4.320 0.002 0.000 0.262 214 K C -0.852 175.895 176.600 0.244 0.000 1.024 214 K CA 0.254 56.637 56.287 0.159 0.000 0.748 214 K CB -1.808 30.745 32.500 0.088 0.000 1.247 214 K HN 0.250 nan 8.250 nan 0.000 0.482 215 Y N 1.143 121.475 120.300 0.054 0.000 2.397 215 Y HA 0.043 4.594 4.550 0.002 0.000 0.335 215 Y C 1.027 176.949 175.900 0.037 0.000 1.213 215 Y CA -0.936 57.197 58.100 0.055 0.000 1.391 215 Y CB 0.472 38.979 38.460 0.080 0.000 1.293 215 Y HN 0.101 nan 8.280 nan 0.000 0.557 216 D N 2.388 122.860 120.400 0.120 0.000 2.348 216 D HA 0.086 4.727 4.640 0.002 0.000 0.253 216 D C 0.893 177.253 176.300 0.099 0.000 1.161 216 D CA -0.140 53.906 54.000 0.077 0.000 0.876 216 D CB 0.629 41.445 40.800 0.027 0.000 1.160 216 D HN 0.295 nan 8.370 nan 0.000 0.459 217 I N 3.797 124.416 120.570 0.082 0.000 2.226 217 I HA -0.088 4.083 4.170 0.002 0.000 0.245 217 I C 2.295 178.453 176.117 0.069 0.000 1.100 217 I CA 1.240 62.587 61.300 0.078 0.000 1.374 217 I CB -1.675 36.360 38.000 0.059 0.000 1.057 217 I HN 0.663 nan 8.210 nan 0.000 0.413 218 G N 1.046 109.878 108.800 0.053 0.000 2.446 218 G HA2 -0.260 3.701 3.960 0.002 0.000 0.217 218 G HA3 -0.260 3.701 3.960 0.002 0.000 0.217 218 G C 1.847 176.777 174.900 0.050 0.000 1.168 218 G CA 0.648 45.775 45.100 0.045 0.000 0.771 218 G HN 0.345 nan 8.290 nan 0.000 0.551 219 K N -0.152 120.279 120.400 0.051 0.000 2.026 219 K HA 0.073 4.394 4.320 0.002 0.000 0.208 219 K C 2.544 179.189 176.600 0.076 0.000 1.048 219 K CA 0.837 57.156 56.287 0.054 0.000 0.929 219 K CB -0.340 32.186 32.500 0.043 0.000 0.713 219 K HN 0.242 nan 8.250 nan 0.000 0.439 220 L N 1.343 122.626 121.223 0.100 0.000 2.042 220 L HA -0.253 4.088 4.340 0.002 0.000 0.210 220 L C 1.991 178.916 176.870 0.091 0.000 1.076 220 L CA 1.056 55.964 54.840 0.113 0.000 0.749 220 L CB -0.589 41.551 42.059 0.135 0.000 0.893 220 L HN 0.246 nan 8.230 nan 0.000 0.432 221 N N 0.168 118.914 118.700 0.078 0.000 2.104 221 N HA -0.226 4.515 4.740 0.002 0.000 0.190 221 N C 1.649 177.197 175.510 0.064 0.000 1.024 221 N CA 1.603 54.693 53.050 0.067 0.000 0.853 221 N CB -0.594 37.927 38.487 0.057 0.000 1.008 221 N HN 0.337 nan 8.380 nan 0.000 0.424 222 N N 0.868 119.604 118.700 0.059 0.000 2.188 222 N HA -0.100 4.641 4.740 0.002 0.000 0.184 222 N C 1.603 177.149 175.510 0.059 0.000 1.018 222 N CA 1.014 54.095 53.050 0.053 0.000 0.858 222 N CB 0.058 38.572 38.487 0.044 0.000 0.989 222 N HN 0.299 nan 8.380 nan 0.000 0.426 223 Q N 0.105 119.946 119.800 0.069 0.000 2.050 223 Q HA -0.158 4.183 4.340 0.002 0.000 0.202 223 Q C 1.932 177.982 176.000 0.083 0.000 0.980 223 Q CA 1.400 57.249 55.803 0.076 0.000 0.840 223 Q CB -0.067 28.724 28.738 0.089 0.000 0.898 223 Q HN 0.356 nan 8.270 nan 0.000 0.424 224 K N 0.327 120.779 120.400 0.088 0.000 2.015 224 K HA -0.225 4.096 4.320 0.002 0.000 0.216 224 K C 2.081 178.735 176.600 0.091 0.000 1.052 224 K CA 1.550 57.894 56.287 0.095 0.000 0.937 224 K CB -0.014 32.540 32.500 0.090 0.000 0.719 224 K HN 0.125 nan 8.250 nan 0.000 0.446 225 E N 0.637 120.882 120.200 0.074 0.000 2.051 225 E HA -0.166 4.185 4.350 0.002 0.000 0.192 225 E C 1.819 178.455 176.600 0.059 0.000 0.991 225 E CA 1.050 57.489 56.400 0.066 0.000 0.799 225 E CB -0.450 29.282 29.700 0.053 0.000 0.748 225 E HN 0.287 nan 8.360 nan 0.000 0.449 226 N N 1.449 120.181 118.700 0.054 0.000 2.018 226 N HA -0.158 4.583 4.740 0.002 0.000 0.196 226 N C 1.544 177.081 175.510 0.045 0.000 1.043 226 N CA 1.151 54.227 53.050 0.043 0.000 0.856 226 N CB -0.753 37.759 38.487 0.042 0.000 1.042 226 N HN 0.154 nan 8.380 nan 0.000 0.423 227 N N 1.079 119.819 118.700 0.066 0.000 2.061 227 N HA -0.158 4.583 4.740 0.002 0.000 0.193 227 N C 1.463 177.014 175.510 0.067 0.000 1.030 227 N CA 1.006 54.104 53.050 0.080 0.000 0.856 227 N CB -0.779 37.782 38.487 0.122 0.000 1.023 227 N HN 0.340 nan 8.380 nan 0.000 0.424 228 N N 0.683 119.440 118.700 0.095 0.000 2.171 228 N HA -0.034 4.707 4.740 0.002 0.000 0.184 228 N C 1.079 176.607 175.510 0.031 0.000 1.021 228 N CA 0.860 53.975 53.050 0.108 0.000 0.854 228 N CB -0.252 38.331 38.487 0.161 0.000 0.994 228 N HN 0.156 nan 8.380 nan 0.000 0.426 229 N N 0.590 119.307 118.700 0.029 0.000 2.205 229 N HA -0.150 4.591 4.740 0.002 0.000 0.186 229 N C 1.453 176.948 175.510 -0.026 0.000 1.015 229 N CA 0.747 53.803 53.050 0.009 0.000 0.862 229 N CB -0.203 38.294 38.487 0.017 0.000 0.986 229 N HN 0.414 nan 8.380 nan 0.000 0.429 230 K N 0.085 120.461 120.400 -0.039 0.000 2.057 230 K HA -0.007 4.314 4.320 0.002 0.000 0.206 230 K C 1.745 178.266 176.600 -0.132 0.000 1.050 230 K CA 0.892 57.138 56.287 -0.069 0.000 0.935 230 K CB 0.080 32.543 32.500 -0.061 0.000 0.715 230 K HN -0.016 nan 8.250 nan 0.000 0.439 231 M N 0.609 120.081 119.600 -0.213 0.000 2.117 231 M HA -0.129 4.352 4.480 0.002 0.000 0.262 231 M C 2.174 178.301 176.300 -0.288 0.000 1.065 231 M CA 1.431 56.480 55.300 -0.417 0.000 1.114 231 M CB -0.825 31.191 32.600 -0.974 0.000 1.361 231 M HN 0.163 nan 8.290 nan 0.000 0.408 232 I N 0.524 121.005 120.570 -0.148 0.000 2.208 232 I HA -0.265 3.906 4.170 0.002 0.000 0.245 232 I C 2.563 178.657 176.117 -0.039 0.000 1.097 232 I CA 1.338 62.611 61.300 -0.046 0.000 1.363 232 I CB -0.537 37.468 38.000 0.009 0.000 1.051 232 I HN 0.236 nan 8.210 nan 0.000 0.413 233 A N 0.933 123.725 122.820 -0.047 0.000 2.015 233 A HA -0.118 4.203 4.320 0.002 0.000 0.219 233 A C 2.196 179.767 177.584 -0.021 0.000 1.163 233 A CA 1.534 53.555 52.037 -0.027 0.000 0.646 233 A CB -0.799 18.185 19.000 -0.027 0.000 0.806 233 A HN 0.636 nan 8.150 nan 0.000 0.448 234 I N -4.647 115.895 120.570 -0.047 0.000 3.728 234 I HA 0.413 4.584 4.170 0.002 0.000 0.307 234 I C 1.160 177.292 176.117 0.026 0.000 1.276 234 I CA 0.566 61.862 61.300 -0.007 0.000 1.285 234 I CB -0.324 37.636 38.000 -0.068 0.000 1.038 234 I HN 0.337 nan 8.210 nan 0.000 0.445 235 G N 2.196 110.987 108.800 -0.014 0.000 2.248 235 G HA2 -0.150 3.811 3.960 0.002 0.000 0.263 235 G HA3 -0.150 3.811 3.960 0.002 0.000 0.263 235 G C 0.295 175.189 174.900 -0.009 0.000 1.082 235 G CA 0.023 45.128 45.100 0.009 0.000 0.863 235 G HN 0.905 nan 8.290 nan 0.000 0.495 236 A N 0.175 122.949 122.820 -0.076 0.000 2.407 236 A HA 0.762 5.083 4.320 0.002 0.000 0.248 236 A C 1.041 178.680 177.584 0.092 0.000 1.082 236 A CA 0.964 52.957 52.037 -0.074 0.000 0.785 236 A CB 0.359 19.188 19.000 -0.284 0.000 1.020 236 A HN 1.935 nan 8.150 nan 0.000 0.489 237 T N -0.111 114.463 114.554 0.034 0.000 2.799 237 T HA 0.465 4.816 4.350 0.002 0.000 0.286 237 T C -0.450 174.372 174.700 0.204 0.000 0.973 237 T CA -0.614 61.515 62.100 0.048 0.000 1.035 237 T CB 1.103 69.849 68.868 -0.203 0.000 0.932 237 T HN 0.582 nan 8.240 nan 0.000 0.469 238 D N 1.917 122.392 120.400 0.126 0.000 2.308 238 D HA 0.203 4.844 4.640 0.002 0.000 0.251 238 D C 1.295 177.603 176.300 0.013 0.000 1.127 238 D CA -1.080 52.841 54.000 -0.132 0.000 0.876 238 D CB 0.698 41.401 40.800 -0.162 0.000 1.176 238 D HN 0.609 nan 8.370 nan 0.000 0.446 239 I N 1.287 121.848 120.570 -0.016 0.000 2.617 239 I HA 0.030 4.201 4.170 0.002 0.000 0.256 239 I C 1.239 177.343 176.117 -0.022 0.000 1.167 239 I CA 0.703 62.020 61.300 0.029 0.000 1.469 239 I CB -0.591 37.374 38.000 -0.059 0.000 1.098 239 I HN 0.207 nan 8.210 nan 0.000 0.436 240 N N 0.324 118.999 118.700 -0.041 0.000 2.348 240 N HA -0.158 4.583 4.740 0.002 0.000 0.185 240 N C 1.448 176.962 175.510 0.007 0.000 1.019 240 N CA 1.595 54.641 53.050 -0.007 0.000 0.880 240 N CB -0.216 38.270 38.487 -0.001 0.000 0.965 240 N HN 0.453 nan 8.380 nan 0.000 0.437 241 T N -0.116 114.449 114.554 0.017 0.000 3.092 241 T HA 0.127 4.478 4.350 0.002 0.000 0.258 241 T C -0.760 173.970 174.700 0.050 0.000 1.031 241 T CA -0.123 61.996 62.100 0.032 0.000 0.925 241 T CB 0.075 68.965 68.868 0.035 0.000 1.036 241 T HN 0.082 nan 8.240 nan 0.000 0.544 242 E N 1.145 121.378 120.200 0.055 0.000 2.369 242 E HA 0.339 4.690 4.350 0.002 0.000 0.270 242 E C -0.908 175.698 176.600 0.009 0.000 0.909 242 E CA -0.837 55.601 56.400 0.064 0.000 0.775 242 E CB 0.862 30.655 29.700 0.155 0.000 1.270 242 E HN -0.003 nan 8.360 nan 0.000 0.445 243 N N 1.747 120.435 118.700 -0.019 0.000 2.968 243 N HA 0.181 4.922 4.740 0.002 0.000 0.271 243 N C 0.480 175.934 175.510 -0.093 0.000 1.174 243 N CA 0.142 53.159 53.050 -0.055 0.000 1.096 243 N CB 0.279 38.731 38.487 -0.058 0.000 1.403 243 N HN 0.430 nan 8.380 nan 0.000 0.522 244 I N 0.102 120.610 120.570 -0.103 0.000 2.685 244 I HA 0.065 4.236 4.170 0.002 0.000 0.251 244 I C 0.638 176.645 176.117 -0.183 0.000 1.102 244 I CA 0.442 61.651 61.300 -0.153 0.000 1.442 244 I CB 0.298 38.198 38.000 -0.168 0.000 1.194 244 I HN 0.143 nan 8.210 nan 0.000 0.448 245 L N 1.151 122.254 121.223 -0.201 0.000 2.276 245 L HA 0.351 4.692 4.340 0.002 0.000 0.286 245 L C -0.170 176.618 176.870 -0.136 0.000 1.061 245 L CA 0.174 54.886 54.840 -0.214 0.000 0.807 245 L CB 1.264 43.129 42.059 -0.323 0.000 1.177 245 L HN 0.051 nan 8.230 nan 0.000 0.429 246 T N 2.486 116.961 114.554 -0.132 0.000 2.916 246 T HA 0.382 4.733 4.350 0.002 0.000 0.305 246 T C 0.006 174.634 174.700 -0.119 0.000 1.119 246 T CA -0.369 61.670 62.100 -0.102 0.000 1.008 246 T CB 0.995 69.807 68.868 -0.093 0.000 1.129 246 T HN 0.832 nan 8.240 nan 0.000 0.480 247 N N 1.919 120.560 118.700 -0.098 0.000 1.241 247 N HA -0.215 4.526 4.740 0.002 0.000 0.135 247 N C 1.195 176.584 175.510 -0.202 0.000 0.723 247 N CA 1.627 54.607 53.050 -0.117 0.000 0.950 247 N CB -0.843 37.582 38.487 -0.102 0.000 1.215 247 N HN 0.685 nan 8.380 nan 0.000 0.520 248 K N 1.253 121.493 120.400 -0.265 0.000 2.002 248 K HA 0.029 4.350 4.320 0.002 0.000 0.209 248 K C 2.236 178.278 176.600 -0.930 0.000 1.048 248 K CA 1.527 57.489 56.287 -0.542 0.000 0.930 248 K CB -0.327 31.966 32.500 -0.345 0.000 0.714 248 K HN 0.319 nan 8.250 nan 0.000 0.438 249 L N 1.201 122.119 121.223 -0.509 0.000 2.042 249 L HA -0.221 4.120 4.340 0.002 0.000 0.210 249 L C 2.644 179.343 176.870 -0.286 0.000 1.076 249 L CA 1.360 55.991 54.840 -0.349 0.000 0.749 249 L CB -0.518 41.438 42.059 -0.172 0.000 0.893 249 L HN 0.244 nan 8.230 nan 0.000 0.432 250 K N 0.034 120.301 120.400 -0.222 0.000 2.103 250 K HA -0.180 4.141 4.320 0.002 0.000 0.207 250 K C 2.235 178.852 176.600 0.029 0.000 1.048 250 K CA 1.756 57.997 56.287 -0.078 0.000 0.930 250 K CB 0.054 32.547 32.500 -0.013 0.000 0.716 250 K HN 0.171 nan 8.250 nan 0.000 0.444 251 S N -0.097 115.517 115.700 -0.144 0.000 2.356 251 S HA -0.123 4.348 4.470 0.002 0.000 0.223 251 S C 1.716 176.312 174.600 -0.007 0.000 1.032 251 S CA 1.248 59.407 58.200 -0.068 0.000 1.005 251 S CB -0.370 62.705 63.200 -0.209 0.000 0.867 251 S HN 0.412 nan 8.310 nan 0.000 0.449 252 Y N -0.614 119.620 120.300 -0.109 0.000 2.314 252 Y HA -0.132 4.419 4.550 0.002 0.000 0.293 252 Y C 2.362 178.146 175.900 -0.193 0.000 1.129 252 Y CA 0.799 58.729 58.100 -0.284 0.000 1.201 252 Y CB -0.409 37.609 38.460 -0.736 0.000 0.999 252 Y HN 0.266 nan 8.280 nan 0.000 0.541 253 Y N 0.012 120.221 120.300 -0.152 0.000 2.097 253 Y HA -0.350 4.201 4.550 0.002 0.000 0.282 253 Y C 1.920 177.647 175.900 -0.288 0.000 1.152 253 Y CA 1.446 59.385 58.100 -0.269 0.000 1.136 253 Y CB -0.992 37.215 38.460 -0.422 0.000 0.975 253 Y HN 0.104 nan 8.280 nan 0.000 0.498 254 Y N 0.227 120.474 120.300 -0.089 0.000 2.352 254 Y HA -0.228 4.323 4.550 0.002 0.000 0.292 254 Y C 2.813 178.544 175.900 -0.282 0.000 1.136 254 Y CA 1.457 59.425 58.100 -0.220 0.000 1.227 254 Y CB -0.423 38.006 38.460 -0.052 0.000 0.991 254 Y HN 0.276 nan 8.280 nan 0.000 0.545 255 Q N 0.567 120.349 119.800 -0.030 0.000 2.050 255 Q HA -0.207 4.134 4.340 0.002 0.000 0.202 255 Q C 1.731 177.676 176.000 -0.091 0.000 0.980 255 Q CA 1.600 57.377 55.803 -0.043 0.000 0.840 255 Q CB 0.098 28.889 28.738 0.089 0.000 0.898 255 Q HN 0.371 nan 8.270 nan 0.000 0.424 256 E N 0.292 120.432 120.200 -0.101 0.000 2.150 256 E HA -0.140 4.211 4.350 0.002 0.000 0.193 256 E C 1.973 178.438 176.600 -0.224 0.000 0.985 256 E CA 0.504 56.831 56.400 -0.123 0.000 0.814 256 E CB -0.066 29.576 29.700 -0.096 0.000 0.752 256 E HN 0.286 nan 8.360 nan 0.000 0.466 257 L N 0.284 121.304 121.223 -0.337 0.000 2.072 257 L HA -0.086 4.255 4.340 0.002 0.000 0.205 257 L C 2.037 178.755 176.870 -0.254 0.000 1.079 257 L CA 1.155 55.792 54.840 -0.338 0.000 0.752 257 L CB -0.114 41.679 42.059 -0.443 0.000 0.906 257 L HN 0.079 nan 8.230 nan 0.000 0.436 258 I N -1.719 118.673 120.570 -0.296 0.000 2.900 258 I HA -0.058 4.113 4.170 0.002 0.000 0.251 258 I C 2.260 178.199 176.117 -0.295 0.000 1.102 258 I CA 0.833 61.924 61.300 -0.348 0.000 1.457 258 I CB -1.028 36.596 38.000 -0.625 0.000 1.285 258 I HN 0.334 nan 8.210 nan 0.000 0.459 259 Q N 0.859 120.488 119.800 -0.286 0.000 2.123 259 Q HA -0.169 4.172 4.340 0.002 0.000 0.199 259 Q C 1.785 177.614 176.000 -0.285 0.000 0.966 259 Q CA 2.452 58.072 55.803 -0.305 0.000 0.845 259 Q CB 0.194 28.719 28.738 -0.354 0.000 0.907 259 Q HN 0.563 nan 8.270 nan 0.000 0.439 260 T N -4.221 110.203 114.554 -0.217 0.000 2.985 260 T HA 0.191 4.543 4.350 0.002 0.000 0.254 260 T C 0.028 174.717 174.700 -0.018 0.000 1.021 260 T CA 0.341 62.339 62.100 -0.171 0.000 0.957 260 T CB -0.157 68.538 68.868 -0.288 0.000 1.047 260 T HN 0.545 nan 8.240 nan 0.000 0.511 261 N N 1.715 120.374 118.700 -0.068 0.000 2.721 261 N HA -0.173 4.568 4.740 0.002 0.000 0.249 261 N C -0.816 174.657 175.510 -0.061 0.000 1.072 261 N CA 0.454 53.483 53.050 -0.035 0.000 0.710 261 N CB -1.294 37.245 38.487 0.087 0.000 0.993 261 N HN 0.413 nan 8.380 nan 0.000 0.547 262 N N 0.936 119.577 118.700 -0.098 0.000 2.546 262 N HA 0.294 5.035 4.740 0.002 0.000 0.238 262 N C 0.621 176.059 175.510 -0.120 0.000 0.984 262 N CA -0.414 52.574 53.050 -0.103 0.000 0.935 262 N CB 0.715 39.153 38.487 -0.082 0.000 1.122 262 N HN 0.204 nan 8.380 nan 0.000 0.510 263 L N 2.074 123.215 121.223 -0.138 0.000 2.156 263 L HA -0.009 4.332 4.340 0.002 0.000 0.208 263 L C 2.241 179.031 176.870 -0.132 0.000 1.095 263 L CA 1.083 55.824 54.840 -0.166 0.000 0.770 263 L CB -0.303 41.628 42.059 -0.213 0.000 0.914 263 L HN 0.545 nan 8.230 nan 0.000 0.439 264 A N 0.330 123.091 122.820 -0.098 0.000 1.908 264 A HA -0.205 4.116 4.320 0.002 0.000 0.218 264 A C 2.536 180.113 177.584 -0.012 0.000 1.181 264 A CA 1.900 53.906 52.037 -0.052 0.000 0.627 264 A CB -0.686 18.299 19.000 -0.026 0.000 0.818 264 A HN 0.395 nan 8.150 nan 0.000 0.445 265 A N -0.336 122.487 122.820 0.005 0.000 1.930 265 A HA 0.229 4.550 4.320 0.002 0.000 0.217 265 A C 2.494 180.101 177.584 0.038 0.000 1.175 265 A CA 1.887 53.965 52.037 0.068 0.000 0.627 265 A CB -0.962 18.107 19.000 0.114 0.000 0.815 265 A HN 1.039 nan 8.150 nan 0.000 0.443 266 A N -0.683 122.113 122.820 -0.040 0.000 1.902 266 A HA -0.126 4.195 4.320 0.002 0.000 0.217 266 A C 2.477 180.096 177.584 0.059 0.000 1.181 266 A CA 2.186 54.187 52.037 -0.060 0.000 0.623 266 A CB -0.889 17.955 19.000 -0.260 0.000 0.818 266 A HN 0.608 nan 8.150 nan 0.000 0.443 267 S N -0.792 114.907 115.700 -0.002 0.000 2.481 267 S HA -0.106 4.365 4.470 0.002 0.000 0.231 267 S C 1.398 175.960 174.600 -0.064 0.000 0.996 267 S CA 1.246 59.435 58.200 -0.018 0.000 0.942 267 S CB -0.469 62.707 63.200 -0.039 0.000 0.768 267 S HN 0.514 nan 8.310 nan 0.000 0.520 268 D N 1.397 121.783 120.400 -0.023 0.000 2.123 268 D HA 0.055 4.696 4.640 0.002 0.000 0.200 268 D C 1.796 178.084 176.300 -0.021 0.000 0.976 268 D CA 0.912 54.905 54.000 -0.013 0.000 0.831 268 D CB -0.233 40.612 40.800 0.076 0.000 0.974 268 D HN 0.459 nan 8.370 nan 0.000 0.469 269 I N 0.308 120.882 120.570 0.006 0.000 2.163 269 I HA -0.223 3.948 4.170 0.002 0.000 0.240 269 I C 2.311 178.369 176.117 -0.098 0.000 1.081 269 I CA 0.512 61.801 61.300 -0.018 0.000 1.353 269 I CB -0.187 37.825 38.000 0.021 0.000 1.054 269 I HN 0.006 nan 8.210 nan 0.000 0.407 270 L N 1.139 122.299 121.223 -0.105 0.000 2.042 270 L HA -0.226 4.115 4.340 0.002 0.000 0.210 270 L C 2.613 179.317 176.870 -0.277 0.000 1.076 270 L CA 1.764 56.471 54.840 -0.222 0.000 0.749 270 L CB -0.792 41.149 42.059 -0.198 0.000 0.893 270 L HN 0.102 nan 8.230 nan 0.000 0.432 271 R N -0.520 119.787 120.500 -0.321 0.000 2.159 271 R HA -0.252 4.089 4.340 0.002 0.000 0.249 271 R C 2.293 178.387 176.300 -0.344 0.000 1.136 271 R CA 2.656 58.450 56.100 -0.511 0.000 0.951 271 R CB -0.468 29.478 30.300 -0.590 0.000 0.876 271 R HN 0.483 nan 8.270 nan 0.000 0.440 272 I N -0.277 120.152 120.570 -0.234 0.000 2.202 272 I HA -0.212 3.959 4.170 0.002 0.000 0.242 272 I C 2.543 178.554 176.117 -0.176 0.000 1.091 272 I CA 1.138 62.329 61.300 -0.181 0.000 1.368 272 I CB -0.382 37.527 38.000 -0.152 0.000 1.058 272 I HN 0.314 nan 8.210 nan 0.000 0.410 273 A N 1.262 123.968 122.820 -0.190 0.000 1.902 273 A HA -0.178 4.143 4.320 0.002 0.000 0.217 273 A C 2.269 179.738 177.584 -0.192 0.000 1.181 273 A CA 1.366 53.288 52.037 -0.192 0.000 0.623 273 A CB -0.619 18.248 19.000 -0.222 0.000 0.818 273 A HN 0.301 nan 8.150 nan 0.000 0.443 274 I N -0.062 120.369 120.570 -0.231 0.000 2.127 274 I HA -0.256 3.915 4.170 0.002 0.000 0.241 274 I C 2.517 178.615 176.117 -0.031 0.000 1.075 274 I CA 1.441 62.631 61.300 -0.184 0.000 1.334 274 I CB -1.432 36.363 38.000 -0.341 0.000 1.040 274 I HN 0.305 nan 8.210 nan 0.000 0.405 275 L N 0.259 121.432 121.223 -0.083 0.000 2.079 275 L HA -0.212 4.129 4.340 0.002 0.000 0.210 275 L C 2.572 179.410 176.870 -0.053 0.000 1.081 275 L CA 1.329 56.143 54.840 -0.044 0.000 0.752 275 L CB -0.606 41.408 42.059 -0.074 0.000 0.896 275 L HN 0.245 nan 8.230 nan 0.000 0.433 276 K N 0.288 120.632 120.400 -0.094 0.000 2.288 276 K HA -0.194 4.127 4.320 0.002 0.000 0.201 276 K C 2.067 178.591 176.600 -0.126 0.000 1.048 276 K CA 0.959 57.184 56.287 -0.103 0.000 0.956 276 K CB 0.251 32.682 32.500 -0.114 0.000 0.746 276 K HN 0.085 nan 8.250 nan 0.000 0.461 277 K N -0.633 119.671 120.400 -0.161 0.000 2.063 277 K HA -0.056 4.265 4.320 0.002 0.000 0.204 277 K C 1.444 177.836 176.600 -0.346 0.000 1.039 277 K CA 1.299 57.398 56.287 -0.313 0.000 0.957 277 K CB -0.048 32.175 32.500 -0.462 0.000 0.764 277 K HN 0.044 nan 8.250 nan 0.000 0.447 278 Y N -0.142 120.131 120.300 -0.045 0.000 2.479 278 Y HA 0.321 4.872 4.550 0.002 0.000 0.283 278 Y C 1.205 177.099 175.900 -0.010 0.000 1.109 278 Y CA 0.278 58.376 58.100 -0.003 0.000 1.239 278 Y CB 0.223 38.709 38.460 0.044 0.000 1.108 278 Y HN 0.315 nan 8.280 nan 0.000 0.548 279 G N 0.088 108.960 108.800 0.119 0.000 2.749 279 G HA2 0.168 4.129 3.960 0.002 0.000 0.242 279 G HA3 0.168 4.129 3.960 0.002 0.000 0.242 279 G C 0.455 175.402 174.900 0.079 0.000 1.364 279 G CA -0.103 45.033 45.100 0.061 0.000 0.888 279 G HN 1.258 nan 8.290 nan 0.000 0.566 280 G N -2.896 105.931 108.800 0.045 0.000 2.464 280 G HA2 0.277 4.238 3.960 0.002 0.000 0.216 280 G HA3 0.277 4.238 3.960 0.002 0.000 0.216 280 G C -0.134 174.757 174.900 -0.016 0.000 1.186 280 G CA 0.492 45.624 45.100 0.053 0.000 1.010 280 G HN 2.127 nan 8.290 nan 0.000 0.585 281 V N 0.948 120.825 119.914 -0.062 0.000 2.483 281 V HA 0.612 4.733 4.120 0.002 0.000 0.295 281 V C -0.282 175.610 176.094 -0.336 0.000 1.035 281 V CA -0.346 61.784 62.300 -0.283 0.000 0.896 281 V CB 1.408 33.007 31.823 -0.373 0.000 0.986 281 V HN 0.996 nan 8.190 nan 0.000 0.447 282 Y N 4.495 124.485 120.300 -0.517 0.000 2.377 282 Y HA 0.693 5.244 4.550 0.002 0.000 0.339 282 Y C -0.323 175.188 175.900 -0.649 0.000 1.011 282 Y CA -0.722 57.075 58.100 -0.505 0.000 1.093 282 Y CB 1.525 39.791 38.460 -0.324 0.000 1.201 282 Y HN 0.780 nan 8.280 nan 0.000 0.455 283 C N 6.722 124.958 119.300 -1.773 0.000 2.712 283 C HA 0.382 4.843 4.460 0.002 0.000 0.308 283 C C -0.753 173.527 174.990 -1.184 0.000 1.201 283 C CA -0.735 57.503 59.018 -1.299 0.000 1.554 283 C CB 1.041 28.187 27.740 -0.990 0.000 2.117 283 C HN 0.972 nan 8.230 nan 0.000 0.480 284 D N 2.495 122.507 120.400 -0.646 0.000 2.350 284 D HA 0.147 4.788 4.640 0.002 0.000 0.249 284 D C 0.943 177.288 176.300 0.075 0.000 1.119 284 D CA 0.020 53.847 54.000 -0.289 0.000 0.886 284 D CB 1.113 41.606 40.800 -0.512 0.000 1.195 284 D HN 0.648 nan 8.370 nan 0.000 0.437 285 L N 2.730 124.085 121.223 0.220 0.000 2.549 285 L HA -0.139 4.202 4.340 0.002 0.000 0.230 285 L C 1.387 178.393 176.870 0.226 0.000 1.162 285 L CA 0.571 55.546 54.840 0.224 0.000 0.834 285 L CB -0.055 42.045 42.059 0.069 0.000 0.947 285 L HN 0.342 nan 8.230 nan 0.000 0.452 286 D N -1.050 119.490 120.400 0.232 0.000 2.323 286 D HA 0.004 4.645 4.640 0.002 0.000 0.209 286 D C 0.559 177.315 176.300 0.760 0.000 0.973 286 D CA 0.598 54.816 54.000 0.365 0.000 0.874 286 D CB 0.234 41.194 40.800 0.268 0.000 0.930 286 D HN 0.010 nan 8.370 nan 0.000 0.521 287 F N 0.327 120.518 119.950 0.401 0.000 2.380 287 F HA 0.508 5.036 4.527 0.002 0.000 0.321 287 F C 0.669 176.768 175.800 0.499 0.000 1.103 287 F CA -1.161 57.054 58.000 0.360 0.000 1.067 287 F CB 0.507 39.730 39.000 0.371 0.000 1.265 287 F HN -0.332 nan 8.300 nan 0.000 0.517 288 L N 1.796 123.212 121.223 0.320 0.000 2.327 288 L HA 0.487 4.828 4.340 0.002 0.000 0.258 288 L C -2.398 174.085 176.870 -0.645 0.000 1.024 288 L CA -2.239 52.430 54.840 -0.286 0.000 0.825 288 L CB 2.743 44.425 42.059 -0.629 0.000 1.386 288 L HN 0.302 nan 8.230 nan 0.000 0.417 289 P HA -0.025 nan 4.420 nan 0.000 0.267 289 P C -0.280 176.623 177.300 -0.661 0.000 1.201 289 P CA -0.064 62.302 63.100 -1.223 0.000 0.775 289 P CB 0.223 31.248 31.700 -1.126 0.000 0.854 290 G N 1.432 109.976 108.800 -0.427 0.000 2.340 290 G HA2 0.370 4.331 3.960 0.002 0.000 0.245 290 G HA3 0.370 4.331 3.960 0.002 0.000 0.245 290 G C 0.027 174.651 174.900 -0.460 0.000 1.294 290 G CA -0.375 44.505 45.100 -0.367 0.000 0.896 290 G HN 0.477 nan 8.290 nan 0.000 0.522 291 V N 1.123 120.713 119.914 -0.540 0.000 2.532 291 V HA 0.447 4.568 4.120 0.002 0.000 0.295 291 V C 0.457 176.356 176.094 -0.325 0.000 1.041 291 V CA -1.587 60.386 62.300 -0.545 0.000 0.926 291 V CB 1.911 33.204 31.823 -0.882 0.000 0.992 291 V HN 0.575 nan 8.190 nan 0.000 0.457 292 N N 3.353 121.937 118.700 -0.193 0.000 2.971 292 N HA 0.202 4.943 4.740 0.002 0.000 0.294 292 N C 0.855 176.377 175.510 0.020 0.000 1.210 292 N CA 0.198 53.209 53.050 -0.065 0.000 1.157 292 N CB -0.043 38.445 38.487 0.001 0.000 1.450 292 N HN 0.869 nan 8.380 nan 0.000 0.527 293 L N 0.241 121.430 121.223 -0.057 0.000 2.191 293 L HA -0.148 4.193 4.340 0.002 0.000 0.212 293 L C 2.161 179.098 176.870 0.111 0.000 1.103 293 L CA 0.506 55.338 54.840 -0.013 0.000 0.769 293 L CB -0.209 41.797 42.059 -0.089 0.000 0.908 293 L HN 0.336 nan 8.230 nan 0.000 0.438 294 S N 0.387 116.126 115.700 0.065 0.000 2.372 294 S HA -0.214 4.257 4.470 0.002 0.000 0.227 294 S C 1.910 176.546 174.600 0.061 0.000 1.044 294 S CA 1.442 59.677 58.200 0.059 0.000 1.050 294 S CB -0.364 62.857 63.200 0.035 0.000 0.901 294 S HN 0.350 nan 8.310 nan 0.000 0.447 295 L N -0.367 120.894 121.223 0.062 0.000 2.263 295 L HA -0.108 4.233 4.340 0.002 0.000 0.216 295 L C 0.967 177.580 176.870 -0.428 0.000 1.111 295 L CA 0.966 55.762 54.840 -0.073 0.000 0.773 295 L CB -0.544 41.460 42.059 -0.091 0.000 0.906 295 L HN 0.274 nan 8.230 nan 0.000 0.439 296 F N -0.695 119.081 119.950 -0.290 0.000 2.713 296 F HA 0.124 4.652 4.527 0.002 0.000 0.294 296 F C 1.513 177.216 175.800 -0.163 0.000 1.152 296 F CA -0.214 57.539 58.000 -0.411 0.000 1.385 296 F CB -0.622 38.176 39.000 -0.337 0.000 0.981 296 F HN -0.002 nan 8.300 nan 0.000 0.514 297 N N 0.110 118.806 118.700 -0.006 0.000 2.376 297 N HA -0.084 4.657 4.740 0.002 0.000 0.177 297 N C 0.808 176.325 175.510 0.012 0.000 1.024 297 N CA 0.870 53.943 53.050 0.039 0.000 0.893 297 N CB -0.091 38.415 38.487 0.032 0.000 0.980 297 N HN 0.154 nan 8.380 nan 0.000 0.439 298 D N 0.250 120.625 120.400 -0.042 0.000 2.344 298 D HA 0.133 4.774 4.640 0.002 0.000 0.242 298 D C -0.197 176.089 176.300 -0.023 0.000 1.159 298 D CA 0.235 54.221 54.000 -0.023 0.000 0.859 298 D CB 0.239 41.038 40.800 -0.002 0.000 0.925 298 D HN 0.289 nan 8.370 nan 0.000 0.510 299 I N 1.006 121.583 120.570 0.013 0.000 2.439 299 I HA 0.051 4.222 4.170 0.002 0.000 0.283 299 I C -0.058 176.114 176.117 0.092 0.000 1.023 299 I CA -0.678 60.677 61.300 0.091 0.000 1.100 299 I CB 1.671 39.780 38.000 0.180 0.000 1.238 299 I HN -0.221 nan 8.210 nan 0.000 0.445 300 S N 5.547 121.226 115.700 -0.035 0.000 2.505 300 S HA 0.197 4.668 4.470 0.002 0.000 0.276 300 S C -0.056 174.279 174.600 -0.442 0.000 1.274 300 S CA -0.780 57.318 58.200 -0.170 0.000 1.053 300 S CB 0.963 64.089 63.200 -0.123 0.000 0.919 300 S HN 0.631 nan 8.310 nan 0.000 0.490 301 K N 3.183 123.136 120.400 -0.745 0.000 2.416 301 K HA 0.155 4.476 4.320 0.002 0.000 0.283 301 K C -2.473 173.739 176.600 -0.647 0.000 1.037 301 K CA -1.254 54.247 56.287 -1.310 0.000 0.995 301 K CB -0.236 31.411 32.500 -1.421 0.000 0.938 301 K HN 0.290 nan 8.250 nan 0.000 0.475 302 P HA -0.043 nan 4.420 nan 0.000 0.263 302 P C 0.036 177.230 177.300 -0.177 0.000 1.175 302 P CA -0.102 62.858 63.100 -0.234 0.000 0.761 302 P CB 0.451 32.077 31.700 -0.124 0.000 0.794 303 N N 2.280 120.908 118.700 -0.119 0.000 2.091 303 N HA -0.159 4.583 4.740 0.002 0.000 0.193 303 N C 1.948 177.418 175.510 -0.066 0.000 1.021 303 N CA 2.141 55.137 53.050 -0.089 0.000 0.862 303 N CB -0.900 37.550 38.487 -0.062 0.000 1.018 303 N HN 0.604 nan 8.380 nan 0.000 0.429 304 G N 0.816 109.591 108.800 -0.042 0.000 2.464 304 G HA2 -0.061 3.900 3.960 0.002 0.000 0.217 304 G HA3 -0.061 3.900 3.960 0.002 0.000 0.217 304 G C 0.719 175.620 174.900 0.002 0.000 1.138 304 G CA -0.076 45.016 45.100 -0.013 0.000 0.793 304 G HN 0.099 nan 8.290 nan 0.000 0.539 305 M N 1.526 121.126 119.600 -0.001 0.000 2.219 305 M HA 0.003 4.484 4.480 0.002 0.000 0.340 305 M C -0.225 176.093 176.300 0.030 0.000 1.135 305 M CA -0.102 55.229 55.300 0.051 0.000 0.976 305 M CB 0.391 33.001 32.600 0.018 0.000 1.713 305 M HN 0.091 nan 8.290 nan 0.000 0.457 306 D N 1.560 122.000 120.400 0.068 0.000 2.295 306 D HA 0.209 4.850 4.640 0.002 0.000 0.248 306 D C 0.720 176.993 176.300 -0.046 0.000 1.154 306 D CA 0.038 53.989 54.000 -0.082 0.000 0.857 306 D CB 0.931 41.535 40.800 -0.326 0.000 1.117 306 D HN 0.522 nan 8.370 nan 0.000 0.468 307 S N 3.522 119.197 115.700 -0.040 0.000 2.389 307 S HA -0.237 4.234 4.470 0.002 0.000 0.231 307 S C 1.558 176.207 174.600 0.081 0.000 1.052 307 S CA 1.159 59.393 58.200 0.057 0.000 1.053 307 S CB -0.250 62.957 63.200 0.011 0.000 0.886 307 S HN 0.602 nan 8.310 nan 0.000 0.456 308 N N 0.666 119.314 118.700 -0.088 0.000 2.043 308 N HA -0.101 4.640 4.740 0.002 0.000 0.193 308 N C 1.537 177.060 175.510 0.021 0.000 1.037 308 N CA 1.491 54.495 53.050 -0.076 0.000 0.851 308 N CB -0.670 37.679 38.487 -0.230 0.000 1.027 308 N HN 0.450 nan 8.380 nan 0.000 0.422 309 Y N 0.345 120.595 120.300 -0.084 0.000 2.274 309 Y HA -0.131 4.420 4.550 0.001 0.000 0.290 309 Y C 2.346 178.324 175.900 0.129 0.000 1.145 309 Y CA -0.161 57.866 58.100 -0.120 0.000 1.203 309 Y CB -1.052 37.376 38.460 -0.054 0.000 0.984 309 Y HN 0.303 nan 8.280 nan 0.000 0.533 310 W N 1.700 123.084 121.300 0.140 0.000 2.335 310 W HA -0.225 4.436 4.660 0.002 0.000 0.311 310 W C 1.346 177.922 176.519 0.095 0.000 1.213 310 W CA 2.147 59.554 57.345 0.103 0.000 1.274 310 W CB -0.124 29.364 29.460 0.046 0.000 1.148 310 W HN 0.192 nan 8.180 nan 0.000 0.498 311 E N 0.479 120.666 120.200 -0.020 0.000 2.106 311 E HA -0.142 4.209 4.350 0.002 0.000 0.192 311 E C 2.458 179.117 176.600 0.098 0.000 0.984 311 E CA 1.144 57.481 56.400 -0.105 0.000 0.806 311 E CB -0.496 29.243 29.700 0.066 0.000 0.750 311 E HN 0.259 nan 8.360 nan 0.000 0.458 312 A N 1.752 124.706 122.820 0.223 0.000 1.892 312 A HA -0.228 4.093 4.320 0.002 0.000 0.218 312 A C 2.433 180.209 177.584 0.321 0.000 1.188 312 A CA 1.980 54.229 52.037 0.354 0.000 0.631 312 A CB -0.827 18.361 19.000 0.313 0.000 0.822 312 A HN 0.310 nan 8.150 nan 0.000 0.447 313 A N 0.006 122.943 122.820 0.194 0.000 1.902 313 A HA -0.080 4.242 4.320 0.002 0.000 0.217 313 A C 2.033 179.572 177.584 -0.076 0.000 1.181 313 A CA 1.569 53.690 52.037 0.140 0.000 0.623 313 A CB -0.562 18.518 19.000 0.134 0.000 0.818 313 A HN 0.451 nan 8.150 nan 0.000 0.443 314 I N -1.296 119.048 120.570 -0.376 0.000 2.113 314 I HA -0.269 3.902 4.170 0.002 0.000 0.242 314 I C 2.396 178.280 176.117 -0.388 0.000 1.064 314 I CA 1.907 62.845 61.300 -0.604 0.000 1.320 314 I CB -1.469 35.953 38.000 -0.963 0.000 1.028 314 I HN 0.461 nan 8.210 nan 0.000 0.406 315 F N 2.055 121.780 119.950 -0.375 0.000 2.186 315 F HA -0.158 4.370 4.527 0.002 0.000 0.299 315 F C 2.447 178.130 175.800 -0.195 0.000 1.090 315 F CA 1.444 59.222 58.000 -0.369 0.000 1.307 315 F CB -0.374 38.386 39.000 -0.399 0.000 1.019 315 F HN 0.146 nan 8.300 nan 0.000 0.489 316 E N 0.279 120.392 120.200 -0.145 0.000 2.130 316 E HA -0.253 4.098 4.350 0.002 0.000 0.196 316 E C 2.368 178.725 176.600 -0.405 0.000 0.998 316 E CA 1.138 57.408 56.400 -0.217 0.000 0.806 316 E CB -0.444 29.238 29.700 -0.030 0.000 0.738 316 E HN 0.517 nan 8.360 nan 0.000 0.459 317 A N 1.164 123.890 122.820 -0.155 0.000 1.873 317 A HA -0.154 4.167 4.320 0.002 0.000 0.215 317 A C 2.191 179.698 177.584 -0.127 0.000 1.186 317 A CA 1.042 53.089 52.037 0.015 0.000 0.616 317 A CB -0.527 18.521 19.000 0.080 0.000 0.823 317 A HN 0.116 nan 8.150 nan 0.000 0.442 318 I N -0.108 120.299 120.570 -0.272 0.000 2.142 318 I HA -0.295 3.876 4.170 0.002 0.000 0.240 318 I C 3.025 178.902 176.117 -0.400 0.000 1.078 318 I CA 1.144 62.279 61.300 -0.276 0.000 1.343 318 I CB -0.486 37.342 38.000 -0.288 0.000 1.046 318 I HN 0.350 nan 8.210 nan 0.000 0.405 319 A N 1.006 123.353 122.820 -0.789 0.000 1.892 319 A HA -0.257 4.064 4.320 0.002 0.000 0.218 319 A C 2.147 179.516 177.584 -0.358 0.000 1.188 319 A CA 2.273 53.872 52.037 -0.730 0.000 0.631 319 A CB -0.809 17.544 19.000 -1.078 0.000 0.822 319 A HN 0.482 nan 8.150 nan 0.000 0.447 320 N N -0.779 117.737 118.700 -0.306 0.000 2.132 320 N HA -0.099 4.642 4.740 0.002 0.000 0.187 320 N C 1.693 177.175 175.510 -0.047 0.000 1.038 320 N CA 1.291 54.250 53.050 -0.151 0.000 0.846 320 N CB -0.363 38.019 38.487 -0.174 0.000 1.012 320 N HN 0.395 nan 8.380 nan 0.000 0.429 321 E N 1.335 121.531 120.200 -0.007 0.000 2.085 321 E HA -0.103 4.248 4.350 0.002 0.000 0.194 321 E C 1.345 177.942 176.600 -0.003 0.000 0.994 321 E CA 1.004 57.419 56.400 0.024 0.000 0.801 321 E CB -0.064 29.669 29.700 0.054 0.000 0.743 321 E HN 0.206 nan 8.360 nan 0.000 0.453 322 K N 0.702 121.082 120.400 -0.033 0.000 2.444 322 K HA 0.053 4.374 4.320 0.002 0.000 0.193 322 K C -0.024 176.555 176.600 -0.036 0.000 1.024 322 K CA -0.077 56.195 56.287 -0.025 0.000 1.077 322 K CB 0.174 32.664 32.500 -0.016 0.000 0.833 322 K HN 0.098 nan 8.250 nan 0.000 0.517 323 K N 1.009 121.378 120.400 -0.052 0.000 3.451 323 K HA -0.171 4.150 4.320 0.002 0.000 0.273 323 K C 0.502 177.069 176.600 -0.054 0.000 0.944 323 K CA 0.089 56.347 56.287 -0.048 0.000 0.734 323 K CB -1.509 30.976 32.500 -0.025 0.000 1.437 323 K HN 0.163 nan 8.250 nan 0.000 0.454 324 L N -0.762 120.409 121.223 -0.087 0.000 2.513 324 L HA 0.214 4.555 4.340 0.002 0.000 0.222 324 L C 0.731 177.560 176.870 -0.068 0.000 1.096 324 L CA 0.466 55.265 54.840 -0.067 0.000 0.857 324 L CB 0.195 42.209 42.059 -0.074 0.000 1.026 324 L HN 0.344 nan 8.230 nan 0.000 0.469 325 M N -1.310 118.243 119.600 -0.079 0.000 2.414 325 M HA 0.225 4.706 4.480 0.002 0.000 0.287 325 M C -0.090 176.212 176.300 0.004 0.000 1.181 325 M CA -0.325 54.956 55.300 -0.032 0.000 0.933 325 M CB 2.293 34.855 32.600 -0.062 0.000 1.732 325 M HN -0.246 nan 8.290 nan 0.000 0.486 326 N N 0.840 119.561 118.700 0.034 0.000 2.446 326 N HA 0.067 4.808 4.740 0.002 0.000 0.179 326 N C -0.141 175.407 175.510 0.064 0.000 1.054 326 N CA 0.728 53.801 53.050 0.038 0.000 0.905 326 N CB 0.229 38.735 38.487 0.031 0.000 0.973 326 N HN 0.478 nan 8.380 nan 0.000 0.448 327 N N -0.129 118.637 118.700 0.110 0.000 2.679 327 N HA 0.051 4.792 4.740 0.002 0.000 0.302 327 N C -1.870 173.779 175.510 0.233 0.000 1.941 327 N CA -0.224 52.905 53.050 0.133 0.000 0.875 327 N CB -0.420 38.136 38.487 0.115 0.000 1.278 327 N HN 0.011 nan 8.380 nan 0.000 0.490 328 Y N 1.686 122.005 120.300 0.031 0.000 2.705 328 Y HA 0.430 4.981 4.550 0.002 0.000 0.355 328 Y C -2.269 173.640 175.900 0.015 0.000 1.039 328 Y CA -1.755 56.377 58.100 0.053 0.000 1.233 328 Y CB 1.188 39.600 38.460 -0.080 0.000 1.103 328 Y HN 0.211 nan 8.280 nan 0.000 0.624 329 P HA -0.046 nan 4.420 nan 0.000 0.270 329 P C -0.624 176.641 177.300 -0.058 0.000 1.223 329 P CA 0.170 63.250 63.100 -0.033 0.000 0.785 329 P CB 0.870 32.544 31.700 -0.044 0.000 0.923 330 Y N 0.374 120.687 120.300 0.021 0.000 3.028 330 Y HA 0.025 4.576 4.550 0.002 0.000 0.381 330 Y C 2.164 178.030 175.900 -0.058 0.000 1.139 330 Y CA 0.272 58.391 58.100 0.031 0.000 2.013 330 Y CB -0.538 37.937 38.460 0.025 0.000 2.146 330 Y HN 0.402 nan 8.280 nan 0.000 0.412 331 K N -0.144 120.201 120.400 -0.092 0.000 2.147 331 K HA -0.189 4.132 4.320 0.002 0.000 0.205 331 K C 0.367 176.683 176.600 -0.473 0.000 1.049 331 K CA 1.708 57.751 56.287 -0.407 0.000 0.936 331 K CB -0.032 31.976 32.500 -0.820 0.000 0.722 331 K HN 0.531 nan 8.250 nan 0.000 0.446 332 Y N -1.005 119.314 120.300 0.032 0.000 2.467 332 Y HA 0.211 4.762 4.550 0.002 0.000 0.250 332 Y C 1.412 177.386 175.900 0.122 0.000 1.155 332 Y CA -0.309 57.815 58.100 0.040 0.000 1.249 332 Y CB 0.521 39.043 38.460 0.103 0.000 1.146 332 Y HN 0.034 nan 8.280 nan 0.000 0.524 333 M N -0.269 119.488 119.600 0.263 0.000 2.428 333 M HA 0.079 4.560 4.480 0.002 0.000 0.239 333 M C 1.440 177.804 176.300 0.107 0.000 1.121 333 M CA 0.821 56.255 55.300 0.223 0.000 1.019 333 M CB 0.175 32.961 32.600 0.311 0.000 1.485 333 M HN 0.102 nan 8.290 nan 0.000 0.484 334 E N 0.061 120.299 120.200 0.063 0.000 2.051 334 E HA -0.251 4.100 4.350 0.002 0.000 0.192 334 E C 1.753 178.371 176.600 0.031 0.000 0.991 334 E CA 1.546 57.954 56.400 0.013 0.000 0.799 334 E CB -0.019 29.661 29.700 -0.034 0.000 0.748 334 E HN 0.629 nan 8.360 nan 0.000 0.449 335 Q N 0.087 119.920 119.800 0.055 0.000 2.181 335 Q HA -0.092 4.249 4.340 0.002 0.000 0.205 335 Q C 0.409 176.466 176.000 0.096 0.000 0.980 335 Q CA 0.461 56.309 55.803 0.075 0.000 0.862 335 Q CB 0.111 28.917 28.738 0.112 0.000 0.905 335 Q HN 0.089 nan 8.270 nan 0.000 0.429 336 V N 3.625 123.618 119.914 0.130 0.000 2.555 336 V HA 0.075 4.196 4.120 0.002 0.000 0.286 336 V C -1.788 174.354 176.094 0.081 0.000 1.044 336 V CA -1.315 61.071 62.300 0.143 0.000 1.026 336 V CB 0.654 32.612 31.823 0.225 0.000 0.981 336 V HN 0.193 nan 8.190 nan 0.000 0.480 337 P HA 0.109 nan 4.420 nan 0.000 0.270 337 P C 0.806 178.127 177.300 0.035 0.000 1.223 337 P CA -0.034 63.089 63.100 0.038 0.000 0.785 337 P CB 0.639 32.357 31.700 0.031 0.000 0.923 338 S N 0.825 116.535 115.700 0.016 0.000 2.383 338 S HA -0.184 4.287 4.470 0.002 0.000 0.229 338 S C 1.638 176.249 174.600 0.019 0.000 1.030 338 S CA 1.522 59.725 58.200 0.005 0.000 1.002 338 S CB -0.464 62.734 63.200 -0.003 0.000 0.829 338 S HN 0.583 nan 8.310 nan 0.000 0.467 339 E N 0.552 120.768 120.200 0.028 0.000 2.072 339 E HA -0.066 4.285 4.350 0.002 0.000 0.191 339 E C 1.977 178.612 176.600 0.058 0.000 0.985 339 E CA 1.014 57.435 56.400 0.036 0.000 0.801 339 E CB -0.206 29.512 29.700 0.030 0.000 0.750 339 E HN 0.489 nan 8.360 nan 0.000 0.452 340 I N 1.129 121.745 120.570 0.076 0.000 2.233 340 I HA -0.250 3.921 4.170 0.002 0.000 0.243 340 I C 2.575 178.776 176.117 0.141 0.000 1.093 340 I CA 0.959 62.334 61.300 0.125 0.000 1.380 340 I CB -0.223 37.871 38.000 0.157 0.000 1.067 340 I HN 0.012 nan 8.210 nan 0.000 0.413 341 K N 1.061 121.524 120.400 0.105 0.000 2.059 341 K HA -0.261 4.060 4.320 0.002 0.000 0.212 341 K C 2.044 178.677 176.600 0.055 0.000 1.050 341 K CA 1.718 58.043 56.287 0.063 0.000 0.927 341 K CB -0.030 32.461 32.500 -0.014 0.000 0.714 341 K HN 0.137 nan 8.250 nan 0.000 0.447 342 E N 0.508 120.736 120.200 0.047 0.000 2.268 342 E HA -0.112 4.239 4.350 0.002 0.000 0.195 342 E C 2.037 178.689 176.600 0.088 0.000 0.995 342 E CA 0.812 57.242 56.400 0.051 0.000 0.836 342 E CB 0.073 29.794 29.700 0.034 0.000 0.763 342 E HN 0.362 nan 8.360 nan 0.000 0.491 343 R N 0.058 120.623 120.500 0.109 0.000 2.073 343 R HA -0.025 4.316 4.340 0.002 0.000 0.229 343 R C 2.338 178.754 176.300 0.195 0.000 1.120 343 R CA 0.737 56.923 56.100 0.143 0.000 0.967 343 R CB -0.150 30.230 30.300 0.133 0.000 0.862 343 R HN 0.133 nan 8.270 nan 0.000 0.436 344 I N 1.427 122.109 120.570 0.187 0.000 2.099 344 I HA -0.286 3.885 4.170 0.002 0.000 0.239 344 I C 2.435 178.703 176.117 0.252 0.000 1.066 344 I CA 1.607 63.046 61.300 0.231 0.000 1.324 344 I CB -1.207 36.880 38.000 0.145 0.000 1.037 344 I HN 0.203 nan 8.210 nan 0.000 0.401 345 L N 0.831 122.154 121.223 0.168 0.000 2.127 345 L HA -0.213 4.128 4.340 0.002 0.000 0.211 345 L C 2.743 179.693 176.870 0.134 0.000 1.089 345 L CA 1.886 56.811 54.840 0.142 0.000 0.757 345 L CB -0.703 41.408 42.059 0.087 0.000 0.899 345 L HN 0.414 nan 8.230 nan 0.000 0.434 346 S N -0.887 114.894 115.700 0.136 0.000 2.414 346 S HA -0.157 4.314 4.470 0.002 0.000 0.227 346 S C 1.914 176.586 174.600 0.120 0.000 1.022 346 S CA 0.344 58.608 58.200 0.106 0.000 0.958 346 S CB -0.639 62.615 63.200 0.090 0.000 0.797 346 S HN 0.338 nan 8.310 nan 0.000 0.493 347 F N 2.421 122.388 119.950 0.028 0.000 2.146 347 F HA 0.001 4.529 4.527 0.002 0.000 0.298 347 F C 2.282 178.058 175.800 -0.040 0.000 1.096 347 F CA 1.157 59.131 58.000 -0.044 0.000 1.275 347 F CB -0.285 38.610 39.000 -0.175 0.000 1.008 347 F HN 0.038 nan 8.300 nan 0.000 0.480 348 V N 1.744 121.811 119.914 0.254 0.000 2.261 348 V HA -0.338 3.783 4.120 0.002 0.000 0.246 348 V C 2.425 178.577 176.094 0.097 0.000 1.047 348 V CA 2.449 64.867 62.300 0.197 0.000 1.015 348 V CB -0.901 31.045 31.823 0.204 0.000 0.642 348 V HN 0.406 nan 8.190 nan 0.000 0.446 349 R N 0.769 121.312 120.500 0.071 0.000 2.235 349 R HA -0.054 4.287 4.340 0.002 0.000 0.213 349 R C 1.384 177.684 176.300 -0.000 0.000 1.059 349 R CA 1.939 58.060 56.100 0.035 0.000 0.997 349 R CB -0.632 29.686 30.300 0.032 0.000 0.884 349 R HN 0.574 nan 8.270 nan 0.000 0.462 350 N N -0.384 118.301 118.700 -0.025 0.000 2.280 350 N HA 0.057 4.798 4.740 0.002 0.000 0.192 350 N C -0.580 174.835 175.510 -0.158 0.000 1.109 350 N CA -0.101 52.893 53.050 -0.094 0.000 0.855 350 N CB 0.322 38.727 38.487 -0.136 0.000 0.974 350 N HN 0.258 nan 8.380 nan 0.000 0.482 351 H N -0.006 118.937 119.070 -0.212 0.000 2.529 351 H HA 0.112 4.669 4.556 0.002 0.000 0.348 351 H C -0.699 174.581 175.328 -0.081 0.000 1.152 351 H CA -0.739 55.202 56.048 -0.179 0.000 1.202 351 H CB 1.485 31.119 29.762 -0.213 0.000 1.562 351 H HN 0.122 nan 8.280 nan 0.000 0.515 352 D N 1.767 122.172 120.400 0.009 0.000 2.382 352 D HA -0.064 4.577 4.640 0.002 0.000 0.240 352 D C 1.221 177.561 176.300 0.068 0.000 1.146 352 D CA 0.014 54.026 54.000 0.021 0.000 0.897 352 D CB 1.252 42.050 40.800 -0.003 0.000 1.197 352 D HN 0.502 nan 8.370 nan 0.000 0.432 353 I N 2.882 123.493 120.570 0.069 0.000 2.286 353 I HA -0.250 3.921 4.170 0.002 0.000 0.248 353 I C 1.642 177.849 176.117 0.150 0.000 1.115 353 I CA 0.847 62.213 61.300 0.110 0.000 1.392 353 I CB 0.058 38.126 38.000 0.113 0.000 1.065 353 I HN 0.360 nan 8.210 nan 0.000 0.418 354 N N 0.244 119.023 118.700 0.131 0.000 2.461 354 N HA -0.118 4.623 4.740 0.002 0.000 0.188 354 N C 1.025 176.581 175.510 0.076 0.000 1.134 354 N CA 0.588 53.721 53.050 0.139 0.000 0.878 354 N CB -0.098 38.458 38.487 0.116 0.000 0.972 354 N HN 0.409 nan 8.380 nan 0.000 0.456 355 D N 0.384 120.826 120.400 0.070 0.000 2.305 355 D HA 0.095 4.736 4.640 0.002 0.000 0.206 355 D C 1.818 178.158 176.300 0.066 0.000 0.974 355 D CA 0.251 54.293 54.000 0.071 0.000 0.871 355 D CB 0.491 41.348 40.800 0.095 0.000 0.947 355 D HN 0.161 nan 8.370 nan 0.000 0.516 356 L N -0.146 121.108 121.223 0.052 0.000 2.200 356 L HA 0.139 4.480 4.340 0.002 0.000 0.200 356 L C 0.586 177.387 176.870 -0.115 0.000 1.072 356 L CA 0.354 55.209 54.840 0.026 0.000 0.787 356 L CB 0.322 42.418 42.059 0.062 0.000 0.957 356 L HN -0.081 nan 8.230 nan 0.000 0.459 357 I N 1.211 121.657 120.570 -0.207 0.000 2.359 357 I HA 0.254 4.425 4.170 0.002 0.000 0.294 357 I C -0.412 175.485 176.117 -0.367 0.000 0.987 357 I CA -0.624 60.383 61.300 -0.489 0.000 1.225 357 I CB 1.448 38.776 38.000 -1.118 0.000 1.366 357 I HN -0.104 nan 8.210 nan 0.000 0.466 358 L N 8.741 129.763 121.223 -0.335 0.000 2.312 358 L HA 0.489 4.830 4.340 0.002 0.000 0.281 358 L C -1.933 174.861 176.870 -0.126 0.000 1.070 358 L CA -1.351 53.388 54.840 -0.167 0.000 0.805 358 L CB 0.493 42.476 42.059 -0.128 0.000 1.174 358 L HN 0.391 nan 8.230 nan 0.000 0.434 359 P HA 0.198 nan 4.420 nan 0.000 0.279 359 P C 0.819 178.193 177.300 0.123 0.000 1.252 359 P CA -0.506 62.659 63.100 0.108 0.000 0.811 359 P CB 1.175 32.973 31.700 0.163 0.000 1.035 360 L N 0.565 121.886 121.223 0.165 0.000 2.046 360 L HA -0.032 4.309 4.340 0.002 0.000 0.208 360 L C 1.746 178.769 176.870 0.255 0.000 1.077 360 L CA 1.790 56.747 54.840 0.195 0.000 0.747 360 L CB -1.163 40.921 42.059 0.041 0.000 0.896 360 L HN 0.778 nan 8.230 nan 0.000 0.432 361 G N 0.005 108.992 108.800 0.312 0.000 2.575 361 G HA2 -0.271 3.691 3.960 0.002 0.000 0.267 361 G HA3 -0.271 3.691 3.960 0.002 0.000 0.267 361 G C -0.606 174.458 174.900 0.272 0.000 1.264 361 G CA -0.035 45.223 45.100 0.264 0.000 0.935 361 G HN 0.300 nan 8.290 nan 0.000 0.568 362 D N 0.799 121.298 120.400 0.165 0.000 2.280 362 D HA 0.486 5.127 4.640 0.002 0.000 0.243 362 D C 0.334 176.714 176.300 0.133 0.000 1.129 362 D CA 0.133 54.206 54.000 0.123 0.000 0.848 362 D CB 1.060 41.904 40.800 0.074 0.000 1.107 362 D HN 0.474 nan 8.370 nan 0.000 0.471 363 I N 3.106 123.763 120.570 0.145 0.000 2.306 363 I HA 0.056 4.227 4.170 0.002 0.000 0.288 363 I C 0.524 176.699 176.117 0.097 0.000 1.036 363 I CA -0.897 60.486 61.300 0.138 0.000 1.221 363 I CB 0.675 38.781 38.000 0.177 0.000 1.385 363 I HN -0.140 nan 8.210 nan 0.000 0.472 364 K N 7.346 127.794 120.400 0.080 0.000 2.451 364 K HA 0.355 4.676 4.320 0.002 0.000 0.280 364 K C -0.544 176.090 176.600 0.056 0.000 1.020 364 K CA 0.146 56.468 56.287 0.058 0.000 1.008 364 K CB 1.445 33.974 32.500 0.048 0.000 0.917 364 K HN 0.609 nan 8.250 nan 0.000 0.478 365 I N 0.248 120.844 120.570 0.044 0.000 2.644 365 I HA 0.059 4.230 4.170 0.002 0.000 0.291 365 I C -0.552 175.579 176.117 0.024 0.000 1.180 365 I CA -0.361 60.961 61.300 0.038 0.000 1.040 365 I CB 2.149 40.177 38.000 0.047 0.000 1.255 365 I HN 0.554 nan 8.210 nan 0.000 0.422 366 S N 4.478 120.186 115.700 0.013 0.000 2.565 366 S HA 0.122 4.593 4.470 0.002 0.000 0.276 366 S C 0.989 175.593 174.600 0.007 0.000 1.326 366 S CA -0.066 58.139 58.200 0.008 0.000 1.045 366 S CB 1.156 64.354 63.200 -0.003 0.000 0.918 366 S HN 0.763 nan 8.310 nan 0.000 0.505 367 Q N 3.891 123.692 119.800 0.003 0.000 2.500 367 Q HA -0.009 4.332 4.340 0.002 0.000 0.213 367 Q C 1.102 177.084 176.000 -0.031 0.000 0.974 367 Q CA 1.236 57.034 55.803 -0.010 0.000 0.918 367 Q CB -0.282 28.450 28.738 -0.009 0.000 0.980 367 Q HN 0.779 nan 8.270 nan 0.000 0.505 368 L N 0.721 121.927 121.223 -0.028 0.000 2.354 368 L HA 0.114 4.455 4.340 0.002 0.000 0.212 368 L C 1.153 178.036 176.870 0.022 0.000 1.091 368 L CA 0.156 54.958 54.840 -0.063 0.000 0.828 368 L CB -0.000 42.025 42.059 -0.056 0.000 0.973 368 L HN 0.372 nan 8.230 nan 0.000 0.461 369 E N 1.522 121.762 120.200 0.066 0.000 2.243 369 E HA 0.573 4.924 4.350 0.002 0.000 0.260 369 E C -0.577 176.112 176.600 0.149 0.000 0.985 369 E CA -0.853 55.668 56.400 0.201 0.000 0.858 369 E CB 2.133 31.852 29.700 0.032 0.000 1.210 369 E HN 0.145 nan 8.360 nan 0.000 0.411 370 I N -1.568 119.136 120.570 0.223 0.000 2.846 370 I HA 0.527 4.698 4.170 0.002 0.000 0.307 370 I C -1.021 175.201 176.117 0.177 0.000 1.053 370 I CA -1.529 59.837 61.300 0.111 0.000 1.050 370 I CB 1.552 39.560 38.000 0.013 0.000 1.239 370 I HN 0.432 nan 8.210 nan 0.000 0.439 371 L N 4.452 125.748 121.223 0.122 0.000 2.334 371 L HA 0.645 4.986 4.340 0.002 0.000 0.276 371 L C -0.740 176.220 176.870 0.151 0.000 1.014 371 L CA -0.650 54.292 54.840 0.169 0.000 0.815 371 L CB 1.958 44.124 42.059 0.179 0.000 1.268 371 L HN 0.521 nan 8.230 nan 0.000 0.428 372 L N 1.252 122.597 121.223 0.202 0.000 2.388 372 L HA 0.446 4.787 4.340 0.002 0.000 0.264 372 L C -0.041 177.004 176.870 0.292 0.000 0.998 372 L CA -0.651 54.287 54.840 0.162 0.000 0.817 372 L CB 2.654 44.673 42.059 -0.067 0.000 1.338 372 L HN 0.658 nan 8.230 nan 0.000 0.414 373 S N 1.545 117.378 115.700 0.221 0.000 2.562 373 S HA 0.398 4.869 4.470 0.002 0.000 0.281 373 S C -0.172 174.587 174.600 0.264 0.000 1.333 373 S CA -0.577 57.717 58.200 0.157 0.000 1.052 373 S CB 0.839 63.988 63.200 -0.084 0.000 0.884 373 S HN 0.581 nan 8.310 nan 0.000 0.506 374 R N 1.681 122.338 120.500 0.262 0.000 2.467 374 R HA 0.431 4.772 4.340 0.002 0.000 0.299 374 R C -1.177 175.194 176.300 0.118 0.000 1.120 374 R CA -0.242 55.961 56.100 0.172 0.000 0.940 374 R CB 0.768 31.126 30.300 0.097 0.000 1.161 374 R HN 0.644 nan 8.270 nan 0.000 0.506 375 L N 2.580 123.860 121.223 0.095 0.000 2.344 375 L HA 0.478 4.819 4.340 0.002 0.000 0.272 375 L C 0.291 177.171 176.870 0.017 0.000 1.035 375 L CA -0.938 53.940 54.840 0.064 0.000 0.807 375 L CB 1.526 43.636 42.059 0.085 0.000 1.237 375 L HN 0.300 nan 8.230 nan 0.000 0.442 376 K N 1.283 121.681 120.400 -0.003 0.000 2.382 376 K HA 0.436 4.757 4.320 0.002 0.000 0.275 376 K C -0.168 176.422 176.600 -0.016 0.000 1.009 376 K CA -0.221 56.054 56.287 -0.020 0.000 0.970 376 K CB 0.991 33.472 32.500 -0.032 0.000 0.934 376 K HN 0.690 nan 8.250 nan 0.000 0.479 377 A N 1.516 124.322 122.820 -0.024 0.000 2.468 377 A HA 0.616 4.937 4.320 0.002 0.000 0.277 377 A C 1.119 178.686 177.584 -0.029 0.000 1.203 377 A CA 0.129 52.153 52.037 -0.021 0.000 0.932 377 A CB 0.397 19.384 19.000 -0.021 0.000 1.438 377 A HN 0.716 nan 8.150 nan 0.000 0.468 378 A N -0.701 122.103 122.820 -0.026 0.000 1.896 378 A HA -0.233 4.088 4.320 0.002 0.000 0.220 378 A C 2.271 179.836 177.584 -0.032 0.000 1.206 378 A CA 3.409 55.428 52.037 -0.030 0.000 0.647 378 A CB -1.621 17.366 19.000 -0.022 0.000 0.828 378 A HN 1.722 nan 8.150 nan 0.000 0.455 379 T N -3.165 111.372 114.554 -0.027 0.000 3.035 379 T HA 0.308 4.659 4.350 0.002 0.000 0.268 379 T C 1.403 176.084 174.700 -0.031 0.000 1.109 379 T CA 1.623 63.707 62.100 -0.027 0.000 1.119 379 T CB -0.322 68.533 68.868 -0.022 0.000 0.900 379 T HN 1.968 nan 8.240 nan 0.000 0.503 380 G N 1.247 110.025 108.800 -0.036 0.000 2.176 380 G HA2 -0.213 3.748 3.960 0.002 0.000 0.232 380 G HA3 -0.213 3.748 3.960 0.002 0.000 0.232 380 G C -0.063 174.815 174.900 -0.037 0.000 0.986 380 G CA 0.174 45.251 45.100 -0.038 0.000 0.643 380 G HN 0.958 nan 8.290 nan 0.000 0.522 381 K N 0.795 121.173 120.400 -0.038 0.000 2.143 381 K HA 0.728 5.049 4.320 0.002 0.000 0.272 381 K C 0.197 176.767 176.600 -0.050 0.000 1.001 381 K CA -0.819 55.441 56.287 -0.045 0.000 0.915 381 K CB 1.623 34.096 32.500 -0.046 0.000 1.047 381 K HN 0.132 nan 8.250 nan 0.000 0.458 382 K N 0.913 121.276 120.400 -0.061 0.000 2.202 382 K HA 0.167 4.488 4.320 0.002 0.000 0.264 382 K C -0.400 176.139 176.600 -0.102 0.000 1.010 382 K CA -0.266 55.981 56.287 -0.066 0.000 0.940 382 K CB 1.376 33.836 32.500 -0.067 0.000 0.983 382 K HN 0.678 nan 8.250 nan 0.000 0.475 383 T N 1.540 116.044 114.554 -0.084 0.000 2.956 383 T HA 0.363 4.714 4.350 0.002 0.000 0.312 383 T C -1.093 173.589 174.700 -0.030 0.000 1.151 383 T CA -0.806 61.229 62.100 -0.109 0.000 1.024 383 T CB 0.306 69.142 68.868 -0.053 0.000 1.140 383 T HN 0.241 nan 8.240 nan 0.000 0.473 384 F N 2.861 122.800 119.950 -0.018 0.000 2.629 384 F HA 0.364 4.892 4.527 0.002 0.000 0.377 384 F C 1.270 177.032 175.800 -0.063 0.000 1.101 384 F CA 0.406 58.389 58.000 -0.029 0.000 1.301 384 F CB 0.448 39.426 39.000 -0.037 0.000 1.062 384 F HN 0.383 nan 8.300 nan 0.000 0.583 385 S N 2.384 118.176 115.700 0.153 0.000 2.513 385 S HA 0.367 4.838 4.470 0.002 0.000 0.299 385 S C 0.346 174.839 174.600 -0.177 0.000 1.087 385 S CA -0.967 57.231 58.200 -0.003 0.000 1.012 385 S CB 0.762 64.003 63.200 0.068 0.000 1.044 385 S HN 0.644 nan 8.310 nan 0.000 0.485 386 N N 2.986 121.476 118.700 -0.351 0.000 2.322 386 N HA 0.165 4.906 4.740 0.002 0.000 0.216 386 N C 0.852 176.240 175.510 -0.203 0.000 1.144 386 N CA 0.230 52.948 53.050 -0.554 0.000 0.830 386 N CB 0.068 37.939 38.487 -1.026 0.000 1.034 386 N HN 0.469 nan 8.380 nan 0.000 0.484 387 A N -0.397 122.340 122.820 -0.140 0.000 2.072 387 A HA 0.196 4.517 4.320 0.002 0.000 0.216 387 A C 0.013 177.488 177.584 -0.181 0.000 1.156 387 A CA 0.231 52.135 52.037 -0.221 0.000 0.701 387 A CB -0.151 18.526 19.000 -0.538 0.000 0.816 387 A HN 0.337 nan 8.150 nan 0.000 0.458 388 F N -0.224 119.592 119.950 -0.225 0.000 2.730 388 F HA 0.617 5.145 4.527 0.002 0.000 0.335 388 F C -1.322 174.426 175.800 -0.086 0.000 1.212 388 F CA -1.033 56.844 58.000 -0.205 0.000 1.016 388 F CB 1.293 40.103 39.000 -0.317 0.000 1.290 388 F HN -0.047 nan 8.300 nan 0.000 0.495 389 I N 7.278 127.660 120.570 -0.313 0.000 2.533 389 I HA 0.484 4.655 4.170 0.002 0.000 0.290 389 I C -0.975 174.978 176.117 -0.273 0.000 1.056 389 I CA -0.699 60.505 61.300 -0.160 0.000 1.057 389 I CB 2.260 40.250 38.000 -0.017 0.000 1.240 389 I HN 0.393 nan 8.210 nan 0.000 0.423 390 I N 4.687 125.173 120.570 -0.141 0.000 2.436 390 I HA 0.539 4.710 4.170 0.002 0.000 0.289 390 I C -0.273 175.832 176.117 -0.020 0.000 1.010 390 I CA -0.253 60.989 61.300 -0.097 0.000 1.098 390 I CB 1.949 39.937 38.000 -0.021 0.000 1.266 390 I HN 0.557 nan 8.210 nan 0.000 0.434 391 S N 5.230 120.918 115.700 -0.020 0.000 2.542 391 S HA 0.427 4.898 4.470 0.002 0.000 0.276 391 S C -1.273 173.324 174.600 -0.004 0.000 1.148 391 S CA -0.855 57.340 58.200 -0.008 0.000 0.886 391 S CB 1.327 64.512 63.200 -0.025 0.000 1.109 391 S HN 0.540 nan 8.310 nan 0.000 0.458 392 N N 2.561 121.261 118.700 -0.000 0.000 2.467 392 N HA 0.167 4.908 4.740 0.002 0.000 0.262 392 N C 1.035 176.533 175.510 -0.019 0.000 1.234 392 N CA -0.048 53.001 53.050 -0.002 0.000 0.952 392 N CB 0.571 39.058 38.487 0.000 0.000 1.158 392 N HN 0.861 nan 8.380 nan 0.000 0.463 393 N N -0.008 118.678 118.700 -0.022 0.000 2.453 393 N HA -0.156 4.585 4.740 0.002 0.000 0.183 393 N C 0.196 175.677 175.510 -0.048 0.000 1.041 393 N CA 0.873 53.898 53.050 -0.042 0.000 0.900 393 N CB -0.068 38.386 38.487 -0.054 0.000 0.961 393 N HN 0.519 nan 8.380 nan 0.000 0.443 394 D N -0.799 119.578 120.400 -0.038 0.000 2.395 394 D HA 0.054 4.695 4.640 0.002 0.000 0.226 394 D C -0.305 175.970 176.300 -0.042 0.000 1.146 394 D CA -0.398 53.579 54.000 -0.039 0.000 0.830 394 D CB -0.411 40.372 40.800 -0.029 0.000 0.958 394 D HN 0.160 nan 8.370 nan 0.000 0.501 395 S N 0.181 115.853 115.700 -0.047 0.000 2.548 395 S HA 0.153 4.624 4.470 0.002 0.000 0.277 395 S C 1.033 175.588 174.600 -0.076 0.000 1.315 395 S CA -0.784 57.385 58.200 -0.052 0.000 1.050 395 S CB 0.802 63.978 63.200 -0.041 0.000 0.918 395 S HN 0.211 nan 8.310 nan 0.000 0.497 396 L N 5.419 126.583 121.223 -0.097 0.000 2.027 396 L HA 0.011 4.352 4.340 0.002 0.000 0.206 396 L C 2.433 179.223 176.870 -0.133 0.000 1.074 396 L CA 2.261 57.017 54.840 -0.140 0.000 0.745 396 L CB -1.213 40.695 42.059 -0.252 0.000 0.898 396 L HN 0.856 nan 8.230 nan 0.000 0.433 397 T N -0.087 114.401 114.554 -0.111 0.000 2.833 397 T HA -0.189 4.162 4.350 0.002 0.000 0.269 397 T C 1.795 176.399 174.700 -0.161 0.000 1.054 397 T CA 1.633 63.654 62.100 -0.130 0.000 1.135 397 T CB -0.377 68.440 68.868 -0.086 0.000 0.869 397 T HN 0.275 nan 8.240 nan 0.000 0.466 398 L N 1.518 122.663 121.223 -0.129 0.000 2.056 398 L HA -0.017 4.324 4.340 0.002 0.000 0.207 398 L C 1.933 178.716 176.870 -0.145 0.000 1.078 398 L CA 1.736 56.491 54.840 -0.143 0.000 0.749 398 L CB -0.680 41.316 42.059 -0.107 0.000 0.901 398 L HN 0.219 nan 8.230 nan 0.000 0.433 399 N N -0.700 117.930 118.700 -0.118 0.000 2.166 399 N HA -0.183 4.558 4.740 0.002 0.000 0.186 399 N C 1.411 176.851 175.510 -0.116 0.000 1.019 399 N CA 1.184 54.172 53.050 -0.104 0.000 0.856 399 N CB -0.128 38.311 38.487 -0.080 0.000 0.993 399 N HN 0.385 nan 8.380 nan 0.000 0.426 400 N N 0.787 119.407 118.700 -0.134 0.000 2.188 400 N HA -0.097 4.644 4.740 0.002 0.000 0.184 400 N C 1.637 177.027 175.510 -0.199 0.000 1.018 400 N CA 0.471 53.431 53.050 -0.150 0.000 0.858 400 N CB -0.362 38.032 38.487 -0.155 0.000 0.989 400 N HN 0.188 nan 8.380 nan 0.000 0.426 401 L N 1.216 122.293 121.223 -0.245 0.000 2.017 401 L HA -0.008 4.333 4.340 0.002 0.000 0.208 401 L C 1.919 178.641 176.870 -0.247 0.000 1.073 401 L CA 1.295 55.939 54.840 -0.327 0.000 0.745 401 L CB -0.492 41.312 42.059 -0.425 0.000 0.894 401 L HN 0.070 nan 8.230 nan 0.000 0.432 402 I N -1.515 118.947 120.570 -0.180 0.000 2.315 402 I HA -0.269 3.902 4.170 0.002 0.000 0.248 402 I C 2.656 178.726 176.117 -0.079 0.000 1.117 402 I CA 1.339 62.569 61.300 -0.116 0.000 1.404 402 I CB -0.443 37.499 38.000 -0.097 0.000 1.071 402 I HN 0.324 nan 8.210 nan 0.000 0.419 403 S N 0.129 115.772 115.700 -0.096 0.000 2.356 403 S HA -0.220 4.251 4.470 0.002 0.000 0.223 403 S C 2.129 176.665 174.600 -0.106 0.000 1.032 403 S CA 1.314 59.465 58.200 -0.081 0.000 1.005 403 S CB -0.136 63.011 63.200 -0.088 0.000 0.867 403 S HN 0.347 nan 8.310 nan 0.000 0.449 404 Q N 0.484 120.187 119.800 -0.162 0.000 2.045 404 Q HA -0.162 4.179 4.340 0.002 0.000 0.206 404 Q C 2.306 178.228 176.000 -0.130 0.000 0.991 404 Q CA 1.697 57.376 55.803 -0.207 0.000 0.851 404 Q CB -0.956 27.630 28.738 -0.253 0.000 0.911 404 Q HN 0.567 nan 8.270 nan 0.000 0.418 405 L N 1.194 122.372 121.223 -0.075 0.000 2.012 405 L HA -0.195 4.146 4.340 0.002 0.000 0.210 405 L C 2.115 179.043 176.870 0.097 0.000 1.073 405 L CA 1.848 56.715 54.840 0.045 0.000 0.748 405 L CB -0.334 41.747 42.059 0.036 0.000 0.891 405 L HN 0.204 nan 8.230 nan 0.000 0.431 406 E N -0.818 119.437 120.200 0.092 0.000 2.077 406 E HA -0.259 4.092 4.350 0.002 0.000 0.193 406 E C 1.948 178.612 176.600 0.106 0.000 0.989 406 E CA 1.296 57.802 56.400 0.177 0.000 0.800 406 E CB -0.180 29.612 29.700 0.153 0.000 0.746 406 E HN 0.566 nan 8.360 nan 0.000 0.452 407 N N 0.821 119.535 118.700 0.023 0.000 2.084 407 N HA -0.159 4.582 4.740 0.002 0.000 0.190 407 N C 1.696 177.214 175.510 0.012 0.000 1.030 407 N CA 1.347 54.391 53.050 -0.010 0.000 0.849 407 N CB 0.104 38.520 38.487 -0.118 0.000 1.012 407 N HN -0.027 nan 8.380 nan 0.000 0.423 408 R N -1.501 118.990 120.500 -0.014 0.000 2.092 408 R HA -0.072 4.269 4.340 0.002 0.000 0.231 408 R C 1.798 178.181 176.300 0.138 0.000 1.119 408 R CA 1.269 57.423 56.100 0.090 0.000 0.970 408 R CB -0.339 29.993 30.300 0.053 0.000 0.864 408 R HN 0.373 nan 8.270 nan 0.000 0.440 409 Y N 0.843 121.091 120.300 -0.086 0.000 2.263 409 Y HA -0.120 4.432 4.550 0.002 0.000 0.292 409 Y C 2.388 178.185 175.900 -0.171 0.000 1.130 409 Y CA 1.065 58.968 58.100 -0.328 0.000 1.179 409 Y CB 0.201 37.987 38.460 -1.123 0.000 0.998 409 Y HN -0.049 nan 8.280 nan 0.000 0.532 410 E N 0.312 120.571 120.200 0.098 0.000 2.051 410 E HA -0.187 4.164 4.350 0.002 0.000 0.192 410 E C 2.301 178.960 176.600 0.098 0.000 0.991 410 E CA 1.189 57.669 56.400 0.133 0.000 0.799 410 E CB -0.550 29.239 29.700 0.148 0.000 0.748 410 E HN 0.499 nan 8.360 nan 0.000 0.449 411 I N 0.728 121.364 120.570 0.109 0.000 2.118 411 I HA -0.308 3.863 4.170 0.002 0.000 0.241 411 I C 2.555 178.698 176.117 0.043 0.000 1.070 411 I CA 0.931 62.304 61.300 0.121 0.000 1.327 411 I CB -0.310 37.803 38.000 0.189 0.000 1.034 411 I HN 0.097 nan 8.210 nan 0.000 0.405 412 L N 1.039 122.247 121.223 -0.024 0.000 1.989 412 L HA -0.235 4.106 4.340 0.002 0.000 0.211 412 L C 2.161 178.932 176.870 -0.165 0.000 1.071 412 L CA 2.019 56.735 54.840 -0.206 0.000 0.749 412 L CB -0.789 40.951 42.059 -0.532 0.000 0.890 412 L HN 0.209 nan 8.230 nan 0.000 0.431 413 N N -0.278 118.365 118.700 -0.095 0.000 2.244 413 N HA -0.149 4.592 4.740 0.002 0.000 0.183 413 N C 2.009 177.541 175.510 0.036 0.000 1.016 413 N CA 1.398 54.443 53.050 -0.009 0.000 0.866 413 N CB -0.508 38.026 38.487 0.079 0.000 0.980 413 N HN 0.651 nan 8.380 nan 0.000 0.430 414 S N 0.397 116.125 115.700 0.046 0.000 2.469 414 S HA -0.062 4.409 4.470 0.002 0.000 0.238 414 S C 1.768 176.398 174.600 0.051 0.000 0.998 414 S CA 0.689 58.926 58.200 0.062 0.000 0.957 414 S CB -0.432 62.814 63.200 0.077 0.000 0.764 414 S HN 0.576 nan 8.310 nan 0.000 0.514 415 I N -1.528 119.060 120.570 0.029 0.000 4.244 415 I HA 0.353 4.524 4.170 0.002 0.000 0.318 415 I C 1.883 178.010 176.117 0.016 0.000 1.282 415 I CA -0.088 61.223 61.300 0.019 0.000 1.276 415 I CB -0.059 37.947 38.000 0.011 0.000 1.183 415 I HN 0.305 nan 8.210 nan 0.000 0.431 416 I N -0.963 119.623 120.570 0.026 0.000 3.035 416 I HA 0.111 4.282 4.170 0.002 0.000 0.271 416 I C 2.268 178.518 176.117 0.221 0.000 1.190 416 I CA 0.486 61.855 61.300 0.115 0.000 1.472 416 I CB -0.433 37.648 38.000 0.135 0.000 1.116 416 I HN 0.038 nan 8.210 nan 0.000 0.443 417 Q N 1.607 121.496 119.800 0.149 0.000 2.046 417 Q HA -0.181 4.160 4.340 0.002 0.000 0.200 417 Q C 2.094 178.233 176.000 0.231 0.000 0.975 417 Q CA 1.847 57.759 55.803 0.181 0.000 0.836 417 Q CB -0.321 28.490 28.738 0.122 0.000 0.896 417 Q HN 0.681 nan 8.270 nan 0.000 0.428 418 E N 0.439 120.740 120.200 0.169 0.000 2.208 418 E HA -0.134 4.217 4.350 0.002 0.000 0.193 418 E C 1.180 177.884 176.600 0.172 0.000 0.988 418 E CA 0.580 57.069 56.400 0.148 0.000 0.828 418 E CB 0.286 30.045 29.700 0.099 0.000 0.763 418 E HN 0.027 nan 8.360 nan 0.000 0.478 419 K N -0.576 119.945 120.400 0.202 0.000 2.486 419 K HA -0.034 4.287 4.320 0.002 0.000 0.194 419 K C 1.196 178.058 176.600 0.436 0.000 1.033 419 K CA 0.294 56.716 56.287 0.226 0.000 1.004 419 K CB -0.061 32.507 32.500 0.112 0.000 0.798 419 K HN 0.104 nan 8.250 nan 0.000 0.495 420 F N 0.746 120.879 119.950 0.305 0.000 2.446 420 F HA 0.109 4.637 4.527 0.002 0.000 0.292 420 F C 1.857 177.743 175.800 0.143 0.000 1.096 420 F CA 0.786 58.955 58.000 0.282 0.000 1.438 420 F CB 0.266 39.374 39.000 0.180 0.000 1.107 420 F HN -0.173 nan 8.300 nan 0.000 0.546 421 K N 0.374 120.889 120.400 0.193 0.000 2.103 421 K HA -0.069 4.252 4.320 0.002 0.000 0.204 421 K C 1.893 178.511 176.600 0.030 0.000 1.052 421 K CA 1.609 57.938 56.287 0.069 0.000 0.945 421 K CB -0.084 32.484 32.500 0.114 0.000 0.722 421 K HN 0.341 nan 8.250 nan 0.000 0.443 422 I N 0.695 121.312 120.570 0.079 0.000 2.272 422 I HA -0.131 4.040 4.170 0.002 0.000 0.235 422 I C 0.693 176.850 176.117 0.068 0.000 1.071 422 I CA -0.127 61.211 61.300 0.063 0.000 1.374 422 I CB -0.007 38.035 38.000 0.068 0.000 1.121 422 I HN 0.075 nan 8.210 nan 0.000 0.420 423 C N 2.565 121.941 119.300 0.128 0.000 2.592 423 C HA -0.060 4.401 4.460 0.002 0.000 0.408 423 C C 1.924 177.011 174.990 0.161 0.000 1.436 423 C CA 0.139 59.248 59.018 0.152 0.000 1.595 423 C CB -0.827 27.056 27.740 0.238 0.000 2.487 423 C HN 0.494 nan 8.230 nan 0.000 0.610 424 E N 0.603 120.868 120.200 0.109 0.000 2.385 424 E HA -0.024 4.327 4.350 0.002 0.000 0.194 424 E C 0.899 177.603 176.600 0.173 0.000 1.013 424 E CA 0.435 56.895 56.400 0.100 0.000 0.866 424 E CB 0.429 30.158 29.700 0.048 0.000 0.832 424 E HN 0.786 nan 8.360 nan 0.000 0.500 425 T N -1.762 112.879 114.554 0.144 0.000 2.916 425 T HA 0.113 4.464 4.350 0.002 0.000 0.292 425 T C 0.051 174.663 174.700 -0.146 0.000 1.055 425 T CA -0.756 61.395 62.100 0.085 0.000 1.009 425 T CB 1.087 69.978 68.868 0.040 0.000 1.118 425 T HN 0.053 nan 8.240 nan 0.000 0.497 426 Y N 2.208 122.229 120.300 -0.464 0.000 2.242 426 Y HA -0.015 4.536 4.550 0.002 0.000 0.291 426 Y C 1.944 177.684 175.900 -0.267 0.000 1.137 426 Y CA 1.936 59.605 58.100 -0.720 0.000 1.181 426 Y CB -0.221 37.941 38.460 -0.497 0.000 0.989 426 Y HN 0.718 nan 8.280 nan 0.000 0.527 427 D N -0.913 119.378 120.400 -0.182 0.000 2.106 427 D HA -0.225 4.416 4.640 0.002 0.000 0.191 427 D C 2.434 178.622 176.300 -0.187 0.000 0.997 427 D CA 1.850 55.738 54.000 -0.187 0.000 0.834 427 D CB -0.670 40.081 40.800 -0.081 0.000 0.956 427 D HN 0.346 nan 8.370 nan 0.000 0.448 428 S N -0.936 114.692 115.700 -0.119 0.000 2.399 428 S HA -0.210 4.261 4.470 0.002 0.000 0.231 428 S C 2.006 176.552 174.600 -0.090 0.000 1.022 428 S CA 0.807 58.959 58.200 -0.080 0.000 0.983 428 S CB -0.398 62.788 63.200 -0.025 0.000 0.803 428 S HN 0.339 nan 8.310 nan 0.000 0.480 429 Y N 3.010 123.153 120.300 -0.260 0.000 2.089 429 Y HA -0.081 4.470 4.550 0.002 0.000 0.282 429 Y C 1.956 177.714 175.900 -0.237 0.000 1.139 429 Y CA 2.116 60.079 58.100 -0.229 0.000 1.123 429 Y CB -0.532 37.705 38.460 -0.372 0.000 0.980 429 Y HN 0.448 nan 8.280 nan 0.000 0.493 430 I N -1.519 118.777 120.570 -0.457 0.000 3.001 430 I HA -0.099 4.072 4.170 0.002 0.000 0.268 430 I C 1.368 177.292 176.117 -0.321 0.000 1.267 430 I CA 1.120 62.138 61.300 -0.470 0.000 1.472 430 I CB -0.427 37.290 38.000 -0.471 0.000 1.089 430 I HN 0.164 nan 8.210 nan 0.000 0.468 431 N N 1.160 119.706 118.700 -0.257 0.000 2.197 431 N HA -0.108 4.633 4.740 0.002 0.000 0.184 431 N C 2.032 177.443 175.510 -0.165 0.000 1.030 431 N CA 1.587 54.532 53.050 -0.175 0.000 0.851 431 N CB -0.343 38.067 38.487 -0.128 0.000 1.003 431 N HN 0.351 nan 8.380 nan 0.000 0.430 432 S N 0.384 115.982 115.700 -0.170 0.000 2.382 432 S HA -0.042 4.429 4.470 0.002 0.000 0.228 432 S C 1.988 176.483 174.600 -0.176 0.000 1.027 432 S CA 0.772 58.889 58.200 -0.139 0.000 0.991 432 S CB -0.197 62.944 63.200 -0.099 0.000 0.823 432 S HN 0.055 nan 8.310 nan 0.000 0.469 433 V N 0.509 120.243 119.914 -0.300 0.000 2.379 433 V HA -0.060 4.061 4.120 0.002 0.000 0.245 433 V C 2.630 178.604 176.094 -0.199 0.000 1.044 433 V CA 1.896 64.013 62.300 -0.306 0.000 1.036 433 V CB -0.760 30.728 31.823 -0.559 0.000 0.664 433 V HN 0.516 nan 8.190 nan 0.000 0.453 434 S N 0.246 115.828 115.700 -0.196 0.000 2.356 434 S HA -0.258 4.213 4.470 0.002 0.000 0.223 434 S C 2.034 176.575 174.600 -0.097 0.000 1.032 434 S CA 2.105 60.224 58.200 -0.135 0.000 1.005 434 S CB -0.236 62.885 63.200 -0.131 0.000 0.867 434 S HN 0.893 nan 8.310 nan 0.000 0.449 435 E N 0.783 120.927 120.200 -0.093 0.000 2.118 435 E HA -0.129 4.222 4.350 0.002 0.000 0.195 435 E C 2.007 178.573 176.600 -0.056 0.000 0.992 435 E CA 1.239 57.599 56.400 -0.067 0.000 0.804 435 E CB -0.520 29.144 29.700 -0.061 0.000 0.741 435 E HN 0.368 nan 8.360 nan 0.000 0.458 436 L N 0.843 122.030 121.223 -0.060 0.000 2.083 436 L HA -0.102 4.239 4.340 0.002 0.000 0.209 436 L C 2.461 179.316 176.870 -0.024 0.000 1.083 436 L CA 1.074 55.892 54.840 -0.038 0.000 0.752 436 L CB -0.502 41.534 42.059 -0.039 0.000 0.899 436 L HN 0.238 nan 8.230 nan 0.000 0.433 437 V N 0.311 120.204 119.914 -0.034 0.000 2.295 437 V HA -0.293 3.828 4.120 0.002 0.000 0.246 437 V C 2.442 178.518 176.094 -0.031 0.000 1.049 437 V CA 1.484 63.778 62.300 -0.010 0.000 1.024 437 V CB -0.325 31.482 31.823 -0.026 0.000 0.648 437 V HN 0.378 nan 8.190 nan 0.000 0.447 438 L N -0.554 120.641 121.223 -0.047 0.000 2.551 438 L HA -0.039 4.302 4.340 0.002 0.000 0.228 438 L C 2.072 178.910 176.870 -0.053 0.000 1.153 438 L CA 0.981 55.788 54.840 -0.055 0.000 0.851 438 L CB -0.454 41.574 42.059 -0.052 0.000 0.959 438 L HN 0.416 nan 8.230 nan 0.000 0.451 439 E N -0.747 119.428 120.200 -0.042 0.000 2.460 439 E HA -0.023 4.328 4.350 0.002 0.000 0.200 439 E C 1.569 178.150 176.600 -0.033 0.000 1.011 439 E CA 0.941 57.320 56.400 -0.035 0.000 0.912 439 E CB 0.490 30.176 29.700 -0.025 0.000 0.953 439 E HN 0.471 nan 8.360 nan 0.000 0.494 440 T N -2.820 111.714 114.554 -0.034 0.000 2.958 440 T HA 0.068 4.419 4.350 0.002 0.000 0.256 440 T C 0.943 175.590 174.700 -0.089 0.000 0.983 440 T CA -0.300 61.788 62.100 -0.021 0.000 0.924 440 T CB 0.170 69.060 68.868 0.038 0.000 1.136 440 T HN -0.217 nan 8.240 nan 0.000 0.506 441 T N 5.210 119.648 114.554 -0.193 0.000 2.822 441 T HA 0.248 4.599 4.350 0.002 0.000 0.288 441 T C -2.277 172.222 174.700 -0.335 0.000 0.991 441 T CA -0.437 61.371 62.100 -0.487 0.000 1.176 441 T CB 0.256 68.869 68.868 -0.426 0.000 0.951 441 T HN 0.276 nan 8.240 nan 0.000 0.526 442 P HA 0.150 nan 4.420 nan 0.000 0.270 442 P C 1.009 178.222 177.300 -0.145 0.000 1.223 442 P CA -0.567 62.432 63.100 -0.167 0.000 0.785 442 P CB 0.749 32.390 31.700 -0.098 0.000 0.923 443 K N 1.260 121.611 120.400 -0.081 0.000 1.985 443 K HA -0.087 4.234 4.320 0.002 0.000 0.210 443 K C 0.146 176.714 176.600 -0.054 0.000 1.047 443 K CA 1.286 57.535 56.287 -0.063 0.000 0.932 443 K CB -0.093 32.383 32.500 -0.040 0.000 0.716 443 K HN 0.409 nan 8.250 nan 0.000 0.439 444 N N 1.573 120.253 118.700 -0.033 0.000 2.817 444 N HA 0.199 4.940 4.740 0.002 0.000 0.234 444 N C -1.232 174.278 175.510 0.001 0.000 1.066 444 N CA -0.007 53.035 53.050 -0.014 0.000 0.926 444 N CB 0.928 39.414 38.487 -0.001 0.000 1.176 444 N HN 0.118 nan 8.380 nan 0.000 0.506 445 L N 0.929 122.146 121.223 -0.010 0.000 2.329 445 L HA 0.401 4.742 4.340 0.002 0.000 0.279 445 L C 1.086 177.976 176.870 0.034 0.000 1.014 445 L CA -0.818 54.032 54.840 0.017 0.000 0.814 445 L CB 1.609 43.652 42.059 -0.028 0.000 1.257 445 L HN 0.344 nan 8.230 nan 0.000 0.424 446 S N 1.826 117.567 115.700 0.068 0.000 2.580 446 S HA -0.020 4.451 4.470 0.002 0.000 0.261 446 S C 1.092 175.730 174.600 0.064 0.000 1.366 446 S CA -0.401 57.841 58.200 0.069 0.000 0.996 446 S CB 0.551 63.808 63.200 0.094 0.000 0.902 446 S HN 0.714 nan 8.310 nan 0.000 0.566 447 M N 0.988 120.624 119.600 0.060 0.000 2.146 447 M HA -0.195 4.286 4.480 0.002 0.000 0.256 447 M C 1.176 177.527 176.300 0.084 0.000 1.075 447 M CA 2.069 57.405 55.300 0.060 0.000 1.082 447 M CB -0.990 31.644 32.600 0.057 0.000 1.355 447 M HN 0.776 nan 8.290 nan 0.000 0.402 448 D N -1.042 119.423 120.400 0.107 0.000 2.120 448 D HA 0.027 4.668 4.640 0.002 0.000 0.202 448 D C 2.002 178.390 176.300 0.148 0.000 0.972 448 D CA 1.503 55.593 54.000 0.150 0.000 0.837 448 D CB -0.835 40.061 40.800 0.160 0.000 0.989 448 D HN 0.532 nan 8.370 nan 0.000 0.469 449 G N 0.429 109.297 108.800 0.114 0.000 2.469 449 G HA2 -0.287 3.674 3.960 0.002 0.000 0.219 449 G HA3 -0.287 3.674 3.960 0.002 0.000 0.219 449 G C 1.820 176.707 174.900 -0.022 0.000 1.150 449 G CA 1.273 46.328 45.100 -0.075 0.000 0.763 449 G HN 0.261 nan 8.290 nan 0.000 0.561 450 S N -0.110 115.610 115.700 0.034 0.000 2.345 450 S HA -0.079 4.392 4.470 0.002 0.000 0.220 450 S C 2.725 177.355 174.600 0.049 0.000 1.031 450 S CA 1.524 59.743 58.200 0.032 0.000 0.996 450 S CB -0.422 62.783 63.200 0.009 0.000 0.882 450 S HN 0.335 nan 8.310 nan 0.000 0.445 451 S N 0.585 116.329 115.700 0.074 0.000 2.392 451 S HA -0.147 4.324 4.470 0.002 0.000 0.232 451 S C 1.420 176.012 174.600 -0.013 0.000 1.041 451 S CA 1.589 59.837 58.200 0.080 0.000 1.026 451 S CB -0.524 62.810 63.200 0.224 0.000 0.845 451 S HN 0.636 nan 8.310 nan 0.000 0.465 452 F N 0.998 120.886 119.950 -0.103 0.000 2.060 452 F HA -0.122 4.407 4.527 0.002 0.000 0.295 452 F C 1.893 177.482 175.800 -0.352 0.000 1.120 452 F CA 1.398 59.235 58.000 -0.272 0.000 1.205 452 F CB -0.753 37.984 39.000 -0.437 0.000 0.986 452 F HN 0.175 nan 8.300 nan 0.000 0.470 453 Y N 0.908 120.985 120.300 -0.372 0.000 2.256 453 Y HA -0.233 4.318 4.550 0.002 0.000 0.288 453 Y C 2.530 178.225 175.900 -0.340 0.000 1.155 453 Y CA 1.851 59.722 58.100 -0.382 0.000 1.203 453 Y CB -0.858 37.501 38.460 -0.169 0.000 0.980 453 Y HN 0.252 nan 8.280 nan 0.000 0.530 454 Q N -0.711 118.998 119.800 -0.152 0.000 2.439 454 Q HA -0.229 4.112 4.340 0.002 0.000 0.211 454 Q C 1.830 177.676 176.000 -0.256 0.000 0.978 454 Q CA 0.985 56.688 55.803 -0.168 0.000 0.897 454 Q CB -0.041 28.621 28.738 -0.128 0.000 0.956 454 Q HN 0.396 nan 8.270 nan 0.000 0.483 455 Q N 0.031 119.572 119.800 -0.431 0.000 2.302 455 Q HA 0.047 4.388 4.340 0.002 0.000 0.202 455 Q C 1.598 177.513 176.000 -0.142 0.000 0.936 455 Q CA 0.606 56.168 55.803 -0.402 0.000 0.886 455 Q CB 0.198 28.475 28.738 -0.768 0.000 0.986 455 Q HN 0.390 nan 8.270 nan 0.000 0.487 456 I N 0.574 121.027 120.570 -0.194 0.000 2.194 456 I HA -0.342 3.829 4.170 0.002 0.000 0.246 456 I C 1.971 178.063 176.117 -0.042 0.000 1.093 456 I CA 1.398 62.616 61.300 -0.137 0.000 1.355 456 I CB -0.642 37.229 38.000 -0.215 0.000 1.046 456 I HN 0.285 nan 8.210 nan 0.000 0.413 457 I N -0.566 119.972 120.570 -0.052 0.000 2.208 457 I HA -0.120 4.051 4.170 0.002 0.000 0.245 457 I C 2.129 178.300 176.117 0.091 0.000 1.097 457 I CA 1.982 63.273 61.300 -0.015 0.000 1.363 457 I CB -1.174 36.790 38.000 -0.060 0.000 1.051 457 I HN 0.100 nan 8.210 nan 0.000 0.413 458 G N -1.065 107.780 108.800 0.074 0.000 3.262 458 G HA2 -0.052 3.909 3.960 0.002 0.000 0.228 458 G HA3 -0.052 3.909 3.960 0.002 0.000 0.228 458 G C 1.091 176.078 174.900 0.145 0.000 1.197 458 G CA -0.134 45.035 45.100 0.115 0.000 0.819 458 G HN 0.495 nan 8.290 nan 0.000 0.531 459 Y N 1.053 121.361 120.300 0.014 0.000 2.089 459 Y HA -0.055 4.496 4.550 0.002 0.000 0.282 459 Y C 2.375 178.273 175.900 -0.002 0.000 1.139 459 Y CA 1.290 59.351 58.100 -0.064 0.000 1.123 459 Y CB -0.214 38.096 38.460 -0.250 0.000 0.980 459 Y HN 0.107 nan 8.280 nan 0.000 0.493 460 L N 0.210 121.408 121.223 -0.042 0.000 2.187 460 L HA -0.219 4.122 4.340 0.002 0.000 0.213 460 L C 2.391 179.210 176.870 -0.085 0.000 1.100 460 L CA 1.803 56.549 54.840 -0.156 0.000 0.765 460 L CB -0.805 41.267 42.059 0.022 0.000 0.904 460 L HN 0.456 nan 8.230 nan 0.000 0.437 461 S N -2.417 113.307 115.700 0.041 0.000 2.528 461 S HA -0.020 4.451 4.470 0.002 0.000 0.219 461 S C 1.096 175.771 174.600 0.126 0.000 0.985 461 S CA -0.191 58.061 58.200 0.086 0.000 0.914 461 S CB -0.035 63.246 63.200 0.134 0.000 0.776 461 S HN 0.251 nan 8.310 nan 0.000 0.526 462 S N 1.046 116.774 115.700 0.046 0.000 2.525 462 S HA 0.442 4.913 4.470 0.002 0.000 0.285 462 S C 1.438 176.034 174.600 -0.007 0.000 1.283 462 S CA 0.632 58.842 58.200 0.017 0.000 1.072 462 S CB -0.317 62.874 63.200 -0.016 0.000 0.867 462 S HN 1.324 nan 8.310 nan 0.000 0.492 463 G N 3.963 112.717 108.800 -0.076 0.000 2.234 463 G HA2 -0.275 3.686 3.960 0.002 0.000 0.260 463 G HA3 -0.275 3.686 3.960 0.002 0.000 0.260 463 G C 0.451 175.093 174.900 -0.430 0.000 0.987 463 G CA 0.631 45.577 45.100 -0.257 0.000 0.625 463 G HN 0.697 nan 8.290 nan 0.000 0.532 464 F N 0.401 120.324 119.950 -0.045 0.000 2.680 464 F HA 0.427 4.955 4.527 0.002 0.000 0.290 464 F C 1.345 177.135 175.800 -0.017 0.000 1.114 464 F CA 0.595 58.583 58.000 -0.020 0.000 1.333 464 F CB 0.589 39.561 39.000 -0.047 0.000 1.091 464 F HN 0.077 nan 8.300 nan 0.000 0.606 465 K N 2.653 123.115 120.400 0.104 0.000 2.185 465 K HA 0.225 4.546 4.320 0.002 0.000 0.269 465 K C -1.807 174.705 176.600 -0.147 0.000 0.987 465 K CA -1.997 54.276 56.287 -0.022 0.000 0.865 465 K CB 1.403 33.924 32.500 0.035 0.000 1.090 465 K HN -0.223 nan 8.250 nan 0.000 0.450 466 P HA -0.205 nan 4.420 nan 0.000 0.216 466 P C -0.051 177.157 177.300 -0.154 0.000 1.154 466 P CA 1.529 64.417 63.100 -0.355 0.000 0.865 466 P CB 0.297 31.655 31.700 -0.571 0.000 0.789 467 E N -0.505 119.633 120.200 -0.103 0.000 3.157 467 E HA 0.255 4.606 4.350 0.002 0.000 0.203 467 E C -1.030 175.569 176.600 -0.001 0.000 0.982 467 E CA -0.201 56.177 56.400 -0.035 0.000 1.217 467 E CB 0.574 30.262 29.700 -0.021 0.000 1.123 467 E HN -0.109 nan 8.360 nan 0.000 0.457 468 V N 2.054 121.968 119.914 0.000 0.000 2.347 468 V HA 0.294 4.415 4.120 0.002 0.000 0.280 468 V C 0.081 176.203 176.094 0.048 0.000 1.021 468 V CA -0.875 61.444 62.300 0.031 0.000 0.847 468 V CB 1.346 33.191 31.823 0.037 0.000 0.990 468 V HN 0.224 nan 8.190 nan 0.000 0.444 469 N N 2.820 121.572 118.700 0.087 0.000 2.918 469 N HA 0.202 4.943 4.740 0.002 0.000 0.270 469 N C 0.890 176.528 175.510 0.213 0.000 1.536 469 N CA -0.009 53.114 53.050 0.122 0.000 0.877 469 N CB 1.551 40.107 38.487 0.116 0.000 1.190 469 N HN 0.536 nan 8.380 nan 0.000 0.492 470 S N -0.491 115.337 115.700 0.213 0.000 2.402 470 S HA -0.109 4.362 4.470 0.002 0.000 0.229 470 S C 1.827 176.760 174.600 0.555 0.000 1.021 470 S CA 1.682 60.092 58.200 0.350 0.000 0.974 470 S CB 0.074 63.473 63.200 0.332 0.000 0.800 470 S HN 0.759 nan 8.310 nan 0.000 0.484 471 T N -0.457 114.342 114.554 0.408 0.000 3.113 471 T HA 0.092 4.443 4.350 0.002 0.000 0.256 471 T C 1.565 176.469 174.700 0.339 0.000 1.131 471 T CA 0.454 62.815 62.100 0.435 0.000 1.074 471 T CB -0.369 68.665 68.868 0.278 0.000 0.944 471 T HN 0.163 nan 8.240 nan 0.000 0.516 472 V N 0.229 120.309 119.914 0.277 0.000 2.490 472 V HA -0.043 4.078 4.120 0.002 0.000 0.250 472 V C 2.101 178.200 176.094 0.008 0.000 1.061 472 V CA 1.455 63.816 62.300 0.101 0.000 1.064 472 V CB -1.048 30.769 31.823 -0.010 0.000 0.670 472 V HN 0.462 nan 8.190 nan 0.000 0.461 473 F N -1.325 118.624 119.950 -0.001 0.000 2.512 473 F HA 0.194 4.722 4.527 0.001 0.000 0.296 473 F C 1.815 177.421 175.800 -0.322 0.000 1.110 473 F CA 0.919 58.797 58.000 -0.202 0.000 1.446 473 F CB -0.266 38.455 39.000 -0.466 0.000 1.092 473 F HN 0.107 nan 8.300 nan 0.000 0.554 474 F N -1.607 118.504 119.950 0.268 0.000 2.553 474 F HA 0.066 4.594 4.527 0.002 0.000 0.282 474 F C 2.155 178.045 175.800 0.150 0.000 1.089 474 F CA 0.763 58.815 58.000 0.088 0.000 1.411 474 F CB -0.299 38.566 39.000 -0.226 0.000 1.125 474 F HN -0.112 nan 8.300 nan 0.000 0.610 475 S N -1.438 114.484 115.700 0.369 0.000 2.651 475 S HA 0.415 4.886 4.470 0.002 0.000 0.259 475 S C 0.992 175.752 174.600 0.267 0.000 1.073 475 S CA 0.153 58.544 58.200 0.318 0.000 1.090 475 S CB -0.279 63.130 63.200 0.348 0.000 1.042 475 S HN 0.149 nan 8.310 nan 0.000 0.581 476 G N 2.071 111.003 108.800 0.220 0.000 2.543 476 G HA2 0.516 4.477 3.960 0.002 0.000 0.267 476 G HA3 0.516 4.477 3.960 0.002 0.000 0.267 476 G C -1.904 173.092 174.900 0.160 0.000 1.406 476 G CA -1.535 43.655 45.100 0.150 0.000 1.048 476 G HN 0.069 nan 8.290 nan 0.000 0.548 477 P HA -0.162 nan 4.420 nan 0.000 0.218 477 P C 1.495 178.849 177.300 0.090 0.000 1.152 477 P CA 1.247 64.345 63.100 -0.003 0.000 0.857 477 P CB 0.121 31.804 31.700 -0.028 0.000 0.787 478 N N -0.422 118.273 118.700 -0.008 0.000 2.223 478 N HA -0.125 4.616 4.740 0.002 0.000 0.185 478 N C 1.678 177.176 175.510 -0.020 0.000 1.016 478 N CA 1.001 54.007 53.050 -0.073 0.000 0.863 478 N CB -0.923 37.388 38.487 -0.293 0.000 0.983 478 N HN 0.331 nan 8.380 nan 0.000 0.429 479 I N -2.663 117.921 120.570 0.023 0.000 2.676 479 I HA -0.104 4.067 4.170 0.002 0.000 0.259 479 I C 1.307 177.333 176.117 -0.152 0.000 1.194 479 I CA 0.969 62.227 61.300 -0.071 0.000 1.473 479 I CB -0.225 37.730 38.000 -0.075 0.000 1.096 479 I HN -0.124 nan 8.210 nan 0.000 0.443 480 Y N 2.143 122.343 120.300 -0.167 0.000 2.243 480 Y HA -0.092 4.459 4.550 0.002 0.000 0.293 480 Y C 3.111 178.818 175.900 -0.322 0.000 1.124 480 Y CA 1.549 59.484 58.100 -0.275 0.000 1.159 480 Y CB -0.609 37.661 38.460 -0.316 0.000 1.008 480 Y HN 0.330 nan 8.280 nan 0.000 0.527 481 S N -1.740 113.988 115.700 0.047 0.000 2.453 481 S HA -0.113 4.358 4.470 0.002 0.000 0.231 481 S C 1.944 176.525 174.600 -0.031 0.000 1.005 481 S CA 1.170 59.456 58.200 0.142 0.000 0.949 481 S CB -0.497 62.883 63.200 0.299 0.000 0.774 481 S HN 0.247 nan 8.310 nan 0.000 0.510 482 S N 1.884 117.531 115.700 -0.088 0.000 2.425 482 S HA 0.308 4.779 4.470 0.002 0.000 0.225 482 S C 2.242 176.721 174.600 -0.201 0.000 1.024 482 S CA 0.643 58.762 58.200 -0.136 0.000 0.951 482 S CB -0.469 62.634 63.200 -0.161 0.000 0.796 482 S HN 0.728 nan 8.310 nan 0.000 0.498 483 A N 1.262 123.928 122.820 -0.256 0.000 1.969 483 A HA -0.053 4.268 4.320 0.002 0.000 0.218 483 A C 2.226 179.606 177.584 -0.338 0.000 1.169 483 A CA 1.729 53.590 52.037 -0.293 0.000 0.635 483 A CB -1.044 17.742 19.000 -0.356 0.000 0.810 483 A HN 0.436 nan 8.150 nan 0.000 0.445 484 T N -1.283 113.008 114.554 -0.438 0.000 2.812 484 T HA -0.158 4.193 4.350 0.002 0.000 0.264 484 T C 1.951 176.385 174.700 -0.442 0.000 1.042 484 T CA 1.381 63.059 62.100 -0.704 0.000 1.140 484 T CB -0.638 67.752 68.868 -0.797 0.000 0.870 484 T HN 0.606 nan 8.240 nan 0.000 0.445 485 C N 1.554 120.698 119.300 -0.260 0.000 2.446 485 C HA -0.097 4.364 4.460 0.002 0.000 0.277 485 C C 2.418 177.342 174.990 -0.110 0.000 1.275 485 C CA 0.770 59.681 59.018 -0.178 0.000 1.727 485 C CB -1.206 26.485 27.740 -0.082 0.000 2.010 485 C HN 0.475 nan 8.230 nan 0.000 0.486 486 D N 0.193 120.529 120.400 -0.106 0.000 2.126 486 D HA -0.128 4.513 4.640 0.002 0.000 0.190 486 D C 2.341 178.636 176.300 -0.009 0.000 1.001 486 D CA 2.239 56.208 54.000 -0.052 0.000 0.841 486 D CB -0.633 40.109 40.800 -0.097 0.000 0.949 486 D HN 0.498 nan 8.370 nan 0.000 0.446 487 T N -0.641 113.884 114.554 -0.049 0.000 2.737 487 T HA -0.178 4.173 4.350 0.002 0.000 0.265 487 T C 1.823 176.554 174.700 0.051 0.000 1.038 487 T CA 0.967 63.095 62.100 0.046 0.000 1.144 487 T CB -0.504 68.370 68.868 0.010 0.000 0.866 487 T HN 0.200 nan 8.240 nan 0.000 0.434 488 Y N 1.078 121.276 120.300 -0.170 0.000 2.314 488 Y HA -0.030 4.521 4.550 0.002 0.000 0.293 488 Y C 1.799 177.377 175.900 -0.536 0.000 1.129 488 Y CA 1.128 59.047 58.100 -0.302 0.000 1.201 488 Y CB -0.175 38.123 38.460 -0.270 0.000 0.999 488 Y HN 0.440 nan 8.280 nan 0.000 0.541 489 H N -1.546 117.345 119.070 -0.299 0.000 2.520 489 H HA 0.141 4.698 4.556 0.002 0.000 0.284 489 H C -0.304 175.057 175.328 0.055 0.000 1.037 489 H CA 0.074 56.027 56.048 -0.158 0.000 1.168 489 H CB -0.213 29.543 29.762 -0.009 0.000 1.497 489 H HN 0.237 nan 8.280 nan 0.000 0.547 490 F N 0.242 120.298 119.950 0.177 0.000 3.093 490 F HA -0.292 4.236 4.527 0.002 0.000 0.287 490 F C 0.451 176.306 175.800 0.093 0.000 0.882 490 F CA 0.297 58.345 58.000 0.081 0.000 1.063 490 F CB -2.151 36.810 39.000 -0.065 0.000 1.097 490 F HN 0.198 nan 8.300 nan 0.000 0.604 491 I N -1.388 119.310 120.570 0.213 0.000 3.540 491 I HA 0.778 4.949 4.170 0.002 0.000 0.288 491 I C -0.203 175.962 176.117 0.080 0.000 1.169 491 I CA -1.234 60.150 61.300 0.139 0.000 1.038 491 I CB 2.405 40.475 38.000 0.118 0.000 1.338 491 I HN 0.018 nan 8.210 nan 0.000 0.507 492 K N 0.384 120.800 120.400 0.028 0.000 2.523 492 K HA 0.433 4.754 4.320 0.002 0.000 0.257 492 K C -0.898 175.648 176.600 -0.090 0.000 0.932 492 K CA -0.734 55.537 56.287 -0.026 0.000 0.812 492 K CB 1.542 34.038 32.500 -0.006 0.000 1.326 492 K HN 0.689 nan 8.250 nan 0.000 0.433 493 N N -0.252 118.348 118.700 -0.167 0.000 2.741 493 N HA -0.170 4.571 4.740 0.002 0.000 0.250 493 N C -0.533 174.710 175.510 -0.445 0.000 1.115 493 N CA 1.639 54.506 53.050 -0.305 0.000 0.724 493 N CB -1.672 36.671 38.487 -0.241 0.000 1.090 493 N HN 0.890 nan 8.380 nan 0.000 0.558 494 T N -1.369 113.004 114.554 -0.302 0.000 2.900 494 T HA 0.322 4.673 4.350 0.002 0.000 0.307 494 T C 1.117 175.556 174.700 -0.436 0.000 1.065 494 T CA -0.038 61.913 62.100 -0.249 0.000 1.105 494 T CB 0.188 69.021 68.868 -0.058 0.000 0.979 494 T HN 0.158 nan 8.240 nan 0.000 0.544 495 F N 0.919 120.826 119.950 -0.070 0.000 2.693 495 F HA 0.318 4.846 4.527 0.002 0.000 0.303 495 F C 1.204 176.986 175.800 -0.031 0.000 1.097 495 F CA -0.649 57.295 58.000 -0.094 0.000 1.330 495 F CB 0.290 39.242 39.000 -0.080 0.000 1.067 495 F HN 0.424 nan 8.300 nan 0.000 0.565 496 D N 0.583 121.049 120.400 0.111 0.000 2.329 496 D HA 0.348 4.989 4.640 0.002 0.000 0.246 496 D C 0.034 176.366 176.300 0.054 0.000 1.111 496 D CA 0.323 54.383 54.000 0.100 0.000 0.941 496 D CB 1.348 42.216 40.800 0.113 0.000 1.169 496 D HN 0.055 nan 8.370 nan 0.000 0.441 497 M N 0.681 120.313 119.600 0.054 0.000 2.761 497 M HA 0.364 4.845 4.480 0.002 0.000 0.305 497 M C -0.852 175.459 176.300 0.018 0.000 1.235 497 M CA -0.926 54.390 55.300 0.025 0.000 0.850 497 M CB 2.144 34.754 32.600 0.015 0.000 1.744 497 M HN 0.120 nan 8.290 nan 0.000 0.480 498 L N 0.420 121.632 121.223 -0.020 0.000 2.344 498 L HA 0.568 4.909 4.340 0.002 0.000 0.272 498 L C -0.147 176.675 176.870 -0.080 0.000 1.035 498 L CA -0.013 54.788 54.840 -0.065 0.000 0.807 498 L CB 1.921 43.913 42.059 -0.112 0.000 1.237 498 L HN 0.836 nan 8.230 nan 0.000 0.442 499 S N 1.224 116.881 115.700 -0.071 0.000 2.585 499 S HA 0.154 4.625 4.470 0.002 0.000 0.273 499 S C 1.209 175.737 174.600 -0.120 0.000 1.339 499 S CA -0.027 58.131 58.200 -0.069 0.000 1.028 499 S CB 0.943 64.126 63.200 -0.028 0.000 0.906 499 S HN 0.665 nan 8.310 nan 0.000 0.528 500 S N 1.388 117.019 115.700 -0.113 0.000 2.378 500 S HA -0.293 4.178 4.470 0.002 0.000 0.229 500 S C 1.998 176.526 174.600 -0.120 0.000 1.052 500 S CA 2.021 60.140 58.200 -0.135 0.000 1.084 500 S CB -0.845 62.297 63.200 -0.097 0.000 0.950 500 S HN 0.922 nan 8.310 nan 0.000 0.440 501 Q N 1.770 121.521 119.800 -0.082 0.000 2.112 501 Q HA -0.173 4.168 4.340 0.002 0.000 0.206 501 Q C 1.601 177.539 176.000 -0.103 0.000 0.987 501 Q CA 1.924 57.687 55.803 -0.066 0.000 0.858 501 Q CB -0.387 28.333 28.738 -0.030 0.000 0.905 501 Q HN 0.401 nan 8.270 nan 0.000 0.420 502 N N -0.460 118.146 118.700 -0.157 0.000 2.300 502 N HA -0.062 4.679 4.740 0.002 0.000 0.179 502 N C 1.504 176.897 175.510 -0.195 0.000 1.016 502 N CA 1.052 53.925 53.050 -0.294 0.000 0.876 502 N CB -0.053 38.148 38.487 -0.475 0.000 0.979 502 N HN 0.457 nan 8.380 nan 0.000 0.432 503 Q N 0.592 120.305 119.800 -0.146 0.000 2.224 503 Q HA -0.103 4.238 4.340 0.002 0.000 0.203 503 Q C 1.574 177.596 176.000 0.037 0.000 0.970 503 Q CA 0.761 56.511 55.803 -0.089 0.000 0.865 503 Q CB -0.028 28.375 28.738 -0.558 0.000 0.922 503 Q HN 0.466 nan 8.270 nan 0.000 0.445 504 E N 0.895 121.068 120.200 -0.044 0.000 2.171 504 E HA -0.216 4.135 4.350 0.002 0.000 0.197 504 E C 1.759 178.374 176.600 0.025 0.000 0.997 504 E CA 0.792 57.188 56.400 -0.006 0.000 0.810 504 E CB -0.056 29.624 29.700 -0.034 0.000 0.738 504 E HN 0.372 nan 8.360 nan 0.000 0.467 505 I N -0.254 120.299 120.570 -0.028 0.000 2.208 505 I HA -0.270 3.901 4.170 0.002 0.000 0.245 505 I C 1.254 177.245 176.117 -0.210 0.000 1.097 505 I CA 1.169 62.362 61.300 -0.179 0.000 1.363 505 I CB -0.154 37.615 38.000 -0.385 0.000 1.051 505 I HN 0.100 nan 8.210 nan 0.000 0.413 506 F N 0.580 120.596 119.950 0.111 0.000 2.645 506 F HA 0.193 4.721 4.527 0.002 0.000 0.300 506 F C 1.038 176.975 175.800 0.228 0.000 1.115 506 F CA -0.173 57.914 58.000 0.145 0.000 1.355 506 F CB -0.299 38.778 39.000 0.128 0.000 1.026 506 F HN 0.006 nan 8.300 nan 0.000 0.536 507 E N 1.612 122.011 120.200 0.333 0.000 2.289 507 E HA 0.505 4.856 4.350 0.002 0.000 0.278 507 E C -0.273 176.476 176.600 0.248 0.000 1.032 507 E CA -0.546 56.041 56.400 0.313 0.000 0.854 507 E CB 0.955 30.777 29.700 0.203 0.000 1.046 507 E HN 0.197 nan 8.360 nan 0.000 0.409 508 A N 3.944 126.945 122.820 0.302 0.000 2.362 508 A HA 0.169 4.490 4.320 0.002 0.000 0.276 508 A C 0.293 178.052 177.584 0.292 0.000 1.153 508 A CA -0.223 52.011 52.037 0.328 0.000 0.813 508 A CB 0.926 20.219 19.000 0.489 0.000 1.081 508 A HN 0.627 nan 8.150 nan 0.000 0.507 509 S N 1.633 117.455 115.700 0.203 0.000 2.559 509 S HA -0.048 4.423 4.470 0.002 0.000 0.282 509 S C 1.285 175.887 174.600 0.004 0.000 1.336 509 S CA -0.262 57.998 58.200 0.100 0.000 1.037 509 S CB 0.069 63.312 63.200 0.072 0.000 0.853 509 S HN 0.732 nan 8.310 nan 0.000 0.523 510 N N 2.682 121.308 118.700 -0.124 0.000 2.396 510 N HA -0.024 4.717 4.740 0.002 0.000 0.180 510 N C 0.951 176.235 175.510 -0.376 0.000 1.028 510 N CA 0.528 53.354 53.050 -0.373 0.000 0.893 510 N CB -0.453 37.868 38.487 -0.277 0.000 0.967 510 N HN 0.555 nan 8.380 nan 0.000 0.440 511 N N 0.453 119.039 118.700 -0.190 0.000 2.520 511 N HA -0.063 4.678 4.740 0.002 0.000 0.185 511 N C 1.152 176.587 175.510 -0.125 0.000 1.068 511 N CA 0.272 53.233 53.050 -0.148 0.000 0.911 511 N CB 0.067 38.515 38.487 -0.064 0.000 0.961 511 N HN 0.164 nan 8.380 nan 0.000 0.446 512 L N -0.317 120.845 121.223 -0.102 0.000 2.375 512 L HA 0.103 4.444 4.340 0.002 0.000 0.215 512 L C -0.111 176.761 176.870 0.003 0.000 1.108 512 L CA 0.633 55.502 54.840 0.048 0.000 0.830 512 L CB -0.617 41.571 42.059 0.214 0.000 0.959 512 L HN 0.184 nan 8.230 nan 0.000 0.457 513 Y N -4.342 115.771 120.300 -0.311 0.000 2.592 513 Y HA 0.557 5.108 4.550 0.002 0.000 0.334 513 Y C -1.422 174.329 175.900 -0.248 0.000 1.136 513 Y CA -2.477 55.456 58.100 -0.277 0.000 1.042 513 Y CB 0.715 38.832 38.460 -0.572 0.000 1.325 513 Y HN -0.156 nan 8.280 nan 0.000 0.457 514 F N 2.959 122.670 119.950 -0.398 0.000 2.467 514 F HA 0.594 5.122 4.527 0.002 0.000 0.336 514 F C 0.415 175.889 175.800 -0.544 0.000 1.123 514 F CA -0.701 56.965 58.000 -0.557 0.000 0.964 514 F CB 2.308 40.917 39.000 -0.653 0.000 1.136 514 F HN 0.713 nan 8.300 nan 0.000 0.447 515 S N 2.905 117.920 115.700 -1.142 0.000 2.559 515 S HA 0.225 4.697 4.470 0.002 0.000 0.226 515 S C 0.107 174.058 174.600 -1.083 0.000 1.000 515 S CA -0.344 57.128 58.200 -1.213 0.000 0.948 515 S CB -0.171 62.336 63.200 -1.155 0.000 0.870 515 S HN 0.422 nan 8.310 nan 0.000 0.497 516 K N 4.065 123.524 120.400 -1.569 0.000 2.518 516 K HA 0.275 4.596 4.320 0.002 0.000 0.244 516 K C 0.128 176.177 176.600 -0.917 0.000 1.232 516 K CA 0.046 55.644 56.287 -1.149 0.000 1.189 516 K CB -0.328 31.786 32.500 -0.642 0.000 1.737 516 K HN 0.620 nan 8.250 nan 0.000 0.333 517 T N -4.064 110.010 114.554 -0.801 0.000 2.932 517 T HA 0.341 4.692 4.350 0.002 0.000 0.289 517 T C 1.189 175.900 174.700 0.019 0.000 1.039 517 T CA -0.671 61.323 62.100 -0.177 0.000 1.024 517 T CB 1.167 70.045 68.868 0.018 0.000 1.090 517 T HN 0.446 nan 8.240 nan 0.000 0.496 518 H N 0.428 119.721 119.070 0.372 0.000 2.319 518 H HA -0.112 4.445 4.556 0.002 0.000 0.297 518 H C 1.292 176.808 175.328 0.312 0.000 1.097 518 H CA 1.579 57.862 56.048 0.392 0.000 1.285 518 H CB 0.034 29.931 29.762 0.225 0.000 1.368 518 H HN 0.634 nan 8.280 nan 0.000 0.495 519 D N -0.021 120.637 120.400 0.430 0.000 2.264 519 D HA -0.110 4.531 4.640 0.002 0.000 0.208 519 D C 2.068 178.491 176.300 0.204 0.000 0.966 519 D CA 0.608 54.748 54.000 0.234 0.000 0.864 519 D CB -0.006 40.796 40.800 0.003 0.000 0.933 519 D HN 0.309 nan 8.370 nan 0.000 0.499 520 E N -0.460 119.828 120.200 0.147 0.000 2.112 520 E HA -0.048 4.303 4.350 0.002 0.000 0.190 520 E C 1.813 178.466 176.600 0.088 0.000 0.979 520 E CA 0.433 56.872 56.400 0.064 0.000 0.814 520 E CB -0.136 29.504 29.700 -0.100 0.000 0.762 520 E HN 0.402 nan 8.360 nan 0.000 0.460 521 F N 0.775 120.862 119.950 0.228 0.000 2.293 521 F HA -0.088 4.440 4.527 0.002 0.000 0.300 521 F C 2.573 178.541 175.800 0.279 0.000 1.086 521 F CA 0.611 58.746 58.000 0.226 0.000 1.375 521 F CB 0.086 39.260 39.000 0.291 0.000 1.045 521 F HN -0.058 nan 8.300 nan 0.000 0.516 522 K N 0.087 120.766 120.400 0.466 0.000 2.155 522 K HA -0.088 4.233 4.320 0.002 0.000 0.203 522 K C 2.066 178.900 176.600 0.390 0.000 1.052 522 K CA 1.006 57.557 56.287 0.440 0.000 0.948 522 K CB -0.044 32.635 32.500 0.299 0.000 0.728 522 K HN 0.008 nan 8.250 nan 0.000 0.448 523 S N 0.118 115.991 115.700 0.287 0.000 2.453 523 S HA -0.032 4.439 4.470 0.002 0.000 0.231 523 S C 1.547 176.271 174.600 0.207 0.000 1.005 523 S CA 0.717 59.052 58.200 0.226 0.000 0.949 523 S CB 0.053 63.360 63.200 0.178 0.000 0.774 523 S HN 0.216 nan 8.310 nan 0.000 0.510 524 S N 0.108 115.928 115.700 0.199 0.000 2.603 524 S HA -0.007 4.464 4.470 0.002 0.000 0.229 524 S C 0.692 175.278 174.600 -0.024 0.000 0.972 524 S CA 0.247 58.494 58.200 0.079 0.000 0.935 524 S CB -0.271 62.965 63.200 0.060 0.000 0.769 524 S HN 0.664 nan 8.310 nan 0.000 0.536 525 W N 1.084 122.443 121.300 0.097 0.000 3.077 525 W HA 0.225 4.886 4.660 0.001 0.000 0.245 525 W C 1.360 177.900 176.519 0.036 0.000 1.316 525 W CA -0.142 57.240 57.345 0.061 0.000 1.537 525 W CB -0.331 29.158 29.460 0.048 0.000 1.131 525 W HN 0.285 nan 8.180 nan 0.000 0.695 526 L N -0.393 120.950 121.223 0.199 0.000 2.141 526 L HA -0.071 4.270 4.340 0.002 0.000 0.209 526 L C 0.982 177.902 176.870 0.084 0.000 1.094 526 L CA 0.861 55.775 54.840 0.123 0.000 0.763 526 L CB -0.354 41.760 42.059 0.091 0.000 0.908 526 L HN -0.069 nan 8.230 nan 0.000 0.437 527 L N 0.875 122.133 121.223 0.058 0.000 2.337 527 L HA 0.412 4.753 4.340 0.002 0.000 0.269 527 L C -0.661 176.215 176.870 0.011 0.000 1.018 527 L CA -0.284 54.574 54.840 0.031 0.000 0.876 527 L CB 0.069 42.138 42.059 0.016 0.000 1.236 527 L HN 0.043 nan 8.230 nan 0.000 0.436 528 R N 0.980 121.508 120.500 0.047 0.000 2.799 528 R HA 0.325 4.666 4.340 0.002 0.000 0.270 528 R C 0.635 176.971 176.300 0.060 0.000 1.010 528 R CA -0.142 55.990 56.100 0.054 0.000 0.916 528 R CB 1.904 32.300 30.300 0.160 0.000 1.228 528 R HN 0.547 nan 8.270 nan 0.000 0.469 529 S N -0.375 115.360 115.700 0.058 0.000 2.561 529 S HA 0.009 4.480 4.470 0.002 0.000 0.225 529 S C 0.366 175.008 174.600 0.070 0.000 0.977 529 S CA 0.087 58.319 58.200 0.054 0.000 0.926 529 S CB -0.113 63.115 63.200 0.048 0.000 0.769 529 S HN 0.418 nan 8.310 nan 0.000 0.533 530 N N 2.583 121.348 118.700 0.108 0.000 2.744 530 N HA 0.178 4.919 4.740 0.002 0.000 0.290 530 N C 0.680 176.234 175.510 0.074 0.000 1.206 530 N CA 0.307 53.423 53.050 0.109 0.000 1.119 530 N CB 0.148 38.737 38.487 0.169 0.000 1.449 530 N HN 0.773 nan 8.380 nan 0.000 0.514 531 I N -3.006 117.598 120.570 0.056 0.000 4.403 531 I HA 0.316 4.487 4.170 0.002 0.000 0.331 531 I C 1.426 177.607 176.117 0.107 0.000 1.327 531 I CA -0.193 61.132 61.300 0.042 0.000 1.175 531 I CB 0.366 38.348 38.000 -0.029 0.000 1.165 531 I HN 0.001 nan 8.210 nan 0.000 0.413 532 A N 1.192 124.063 122.820 0.085 0.000 2.235 532 A HA 0.126 4.447 4.320 0.002 0.000 0.208 532 A C 1.390 179.028 177.584 0.091 0.000 1.172 532 A CA 0.376 52.466 52.037 0.088 0.000 0.786 532 A CB -0.604 18.431 19.000 0.058 0.000 0.804 532 A HN 0.512 nan 8.150 nan 0.000 0.479 533 E N 0.282 120.540 120.200 0.096 0.000 2.424 533 E HA -0.022 4.329 4.350 0.002 0.000 0.237 533 E C 1.273 177.949 176.600 0.126 0.000 1.381 533 E CA -0.159 56.299 56.400 0.097 0.000 1.587 533 E CB -0.004 29.721 29.700 0.043 0.000 1.398 533 E HN 0.670 nan 8.360 nan 0.000 0.439 534 K N 1.090 121.550 120.400 0.100 0.000 2.217 534 K HA -0.137 4.184 4.320 0.002 0.000 0.202 534 K C 1.113 177.673 176.600 -0.065 0.000 1.051 534 K CA 0.949 57.220 56.287 -0.027 0.000 0.952 534 K CB 0.194 32.567 32.500 -0.212 0.000 0.736 534 K HN 0.134 nan 8.250 nan 0.000 0.453 535 E N -0.066 120.130 120.200 -0.007 0.000 2.396 535 E HA -0.188 4.163 4.350 0.002 0.000 0.200 535 E C 1.391 178.012 176.600 0.036 0.000 1.023 535 E CA 0.621 57.018 56.400 -0.006 0.000 0.857 535 E CB -0.212 29.499 29.700 0.018 0.000 0.775 535 E HN 0.343 nan 8.360 nan 0.000 0.525 536 F N 1.835 121.751 119.950 -0.057 0.000 2.407 536 F HA -0.109 4.418 4.527 0.001 0.000 0.299 536 F C 2.361 178.131 175.800 -0.050 0.000 1.097 536 F CA 1.262 59.236 58.000 -0.043 0.000 1.422 536 F CB 0.304 39.287 39.000 -0.028 0.000 1.067 536 F HN -0.035 nan 8.300 nan 0.000 0.539 537 Q N 0.281 120.101 119.800 0.032 0.000 2.280 537 Q HA 0.022 4.363 4.340 0.002 0.000 0.228 537 Q C 1.667 177.611 176.000 -0.093 0.000 0.857 537 Q CA 0.130 55.918 55.803 -0.026 0.000 0.939 537 Q CB -0.380 28.384 28.738 0.044 0.000 1.114 537 Q HN 0.472 nan 8.270 nan 0.000 0.514 538 K N 0.568 120.891 120.400 -0.129 0.000 2.217 538 K HA -0.055 4.266 4.320 0.002 0.000 0.202 538 K C 1.817 178.354 176.600 -0.105 0.000 1.051 538 K CA 0.818 57.030 56.287 -0.124 0.000 0.952 538 K CB -0.082 32.337 32.500 -0.135 0.000 0.736 538 K HN 0.141 nan 8.250 nan 0.000 0.453 539 L N 1.612 122.759 121.223 -0.126 0.000 2.141 539 L HA 0.005 4.346 4.340 0.002 0.000 0.209 539 L C 2.102 178.887 176.870 -0.142 0.000 1.094 539 L CA 1.110 55.865 54.840 -0.142 0.000 0.763 539 L CB -0.051 41.888 42.059 -0.199 0.000 0.908 539 L HN 0.194 nan 8.230 nan 0.000 0.437 540 I N -1.359 119.123 120.570 -0.147 0.000 2.133 540 I HA -0.190 3.981 4.170 0.002 0.000 0.238 540 I C 1.176 177.250 176.117 -0.071 0.000 1.074 540 I CA 1.304 62.536 61.300 -0.113 0.000 1.342 540 I CB -0.078 37.870 38.000 -0.087 0.000 1.053 540 I HN 0.131 nan 8.210 nan 0.000 0.404 541 K N 0.000 120.367 120.400 -0.055 0.000 2.780 541 K HA 0.000 4.321 4.320 0.002 0.000 0.191 541 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 541 K CB 0.000 32.488 32.500 -0.021 0.000 1.064 541 K HN 0.000 nan 8.250 nan 0.000 0.543