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 2vdl_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKXXXXXSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc R 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.898 174.900 -0.003 0.000 0.946 1 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 2 P HA 0.517 nan 4.420 nan 0.000 0.277 2 P C -1.058 176.244 177.300 0.003 0.000 1.240 2 P CA -0.277 62.823 63.100 -0.000 0.000 0.798 2 P CB 1.452 33.153 31.700 0.001 0.000 0.979 3 N N 0.063 118.766 118.700 0.004 0.000 2.502 3 N HA 0.173 4.913 4.740 0.000 0.000 0.280 3 N C 0.775 176.295 175.510 0.017 0.000 1.223 3 N CA -0.880 52.176 53.050 0.010 0.000 0.966 3 N CB 0.676 39.168 38.487 0.009 0.000 1.203 3 N HN 0.407 nan 8.380 nan 0.000 0.565 4 I N -0.395 120.188 120.570 0.023 0.000 2.493 4 I HA -0.203 3.967 4.170 0.000 0.000 0.254 4 I C 0.976 177.116 176.117 0.038 0.000 1.160 4 I CA 0.802 62.119 61.300 0.028 0.000 1.445 4 I CB -0.078 37.940 38.000 0.029 0.000 1.086 4 I HN 0.656 nan 8.210 nan 0.000 0.433 5 c N 0.503 119.129 118.600 0.044 0.000 2.436 5 c HA -0.169 4.401 4.570 0.000 0.000 0.277 5 c C 2.975 177.098 174.090 0.056 0.000 1.241 5 c CA 1.628 57.993 56.329 0.061 0.000 1.721 5 c CB -1.560 40.989 42.510 0.064 0.000 2.043 5 c HN 0.643 nan 8.230 nan 0.000 0.472 6 T N -0.304 114.269 114.554 0.032 0.000 2.737 6 T HA -0.139 4.211 4.350 0.000 0.000 0.265 6 T C 1.234 175.950 174.700 0.027 0.000 1.038 6 T CA 1.976 64.089 62.100 0.021 0.000 1.144 6 T CB -1.031 67.838 68.868 0.001 0.000 0.866 6 T HN 0.613 nan 8.240 nan 0.000 0.434 7 T N 0.265 114.833 114.554 0.024 0.000 3.341 7 T HA 0.433 4.783 4.350 0.000 0.000 0.234 7 T C 0.230 174.946 174.700 0.027 0.000 0.890 7 T CA -0.789 61.324 62.100 0.022 0.000 0.952 7 T CB -0.572 68.305 68.868 0.015 0.000 1.146 7 T HN 0.352 nan 8.240 nan 0.000 0.591 8 R N 0.323 120.845 120.500 0.037 0.000 2.837 8 R HA 0.380 4.720 4.340 0.000 0.000 0.245 8 R C 1.271 177.599 176.300 0.047 0.000 1.712 8 R CA -0.059 56.063 56.100 0.037 0.000 1.539 8 R CB 0.539 30.860 30.300 0.037 0.000 1.490 8 R HN 0.508 nan 8.270 nan 0.000 0.667 9 G N 1.435 110.261 108.800 0.044 0.000 5.001 9 G HA2 -0.487 3.473 3.960 0.000 0.000 0.306 9 G HA3 -0.487 3.473 3.960 0.000 0.000 0.306 9 G C 0.443 175.390 174.900 0.077 0.000 1.491 9 G CA 1.209 46.339 45.100 0.049 0.000 1.324 9 G HN 1.236 nan 8.290 nan 0.000 0.829 10 V N -2.523 117.446 119.914 0.092 0.000 5.882 10 V HA -0.166 3.954 4.120 0.000 0.000 0.179 10 V C 1.202 177.422 176.094 0.211 0.000 0.704 10 V CA 1.942 64.339 62.300 0.161 0.000 0.539 10 V CB -2.389 29.567 31.823 0.221 0.000 0.377 10 V HN 1.509 nan 8.190 nan 0.000 0.413 11 S N 1.000 116.773 115.700 0.121 0.000 2.388 11 S HA 0.131 4.601 4.470 0.000 0.000 0.223 11 S C 1.006 175.657 174.600 0.087 0.000 1.034 11 S CA 0.914 59.185 58.200 0.119 0.000 0.963 11 S CB 0.110 63.340 63.200 0.049 0.000 0.827 11 S HN 1.709 nan 8.310 nan 0.000 0.481 12 S N -0.693 114.922 115.700 -0.141 0.000 2.677 12 S HA 0.381 4.851 4.470 0.000 0.000 0.304 12 S C 0.861 174.811 174.600 -1.083 0.000 1.108 12 S CA -0.629 57.262 58.200 -0.515 0.000 0.944 12 S CB 0.976 63.981 63.200 -0.323 0.000 1.127 12 S HN 0.255 nan 8.310 nan 0.000 0.511 13 c N 0.397 118.070 118.600 -1.545 0.000 2.413 13 c HA -0.085 4.485 4.570 0.000 0.000 0.277 13 c C 2.736 176.498 174.090 -0.547 0.000 1.265 13 c CA 1.731 57.205 56.329 -1.425 0.000 1.752 13 c CB -1.594 40.213 42.510 -1.172 0.000 1.998 13 c HN 1.034 nan 8.230 nan 0.000 0.489 14 Q N -0.331 119.230 119.800 -0.399 0.000 2.084 14 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 14 Q C 2.264 178.179 176.000 -0.141 0.000 0.978 14 Q CA 1.896 57.573 55.803 -0.209 0.000 0.844 14 Q CB -0.161 28.477 28.738 -0.168 0.000 0.898 14 Q HN 0.754 nan 8.270 nan 0.000 0.426 15 Q N -0.668 119.044 119.800 -0.146 0.000 2.167 15 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 15 Q C 2.350 178.342 176.000 -0.013 0.000 0.970 15 Q CA 1.186 56.950 55.803 -0.065 0.000 0.855 15 Q CB -0.235 28.475 28.738 -0.047 0.000 0.911 15 Q HN 0.455 nan 8.270 nan 0.000 0.438 16 c N 0.575 119.171 118.600 -0.007 0.000 2.432 16 c HA -0.119 4.451 4.570 0.000 0.000 0.277 16 c C 2.375 176.519 174.090 0.090 0.000 1.249 16 c CA 0.732 57.133 56.329 0.119 0.000 1.725 16 c CB -0.929 41.757 42.510 0.294 0.000 2.028 16 c HN 0.508 nan 8.230 nan 0.000 0.477 17 L N 1.104 122.351 121.223 0.040 0.000 2.141 17 L HA -0.060 4.280 4.340 0.000 0.000 0.209 17 L C 2.965 179.847 176.870 0.020 0.000 1.094 17 L CA 1.513 56.374 54.840 0.035 0.000 0.763 17 L CB -0.910 41.149 42.059 0.000 0.000 0.908 17 L HN 0.435 nan 8.230 nan 0.000 0.437 18 A N -0.160 122.661 122.820 0.002 0.000 2.019 18 A HA -0.108 4.212 4.320 0.000 0.000 0.219 18 A C 2.365 179.955 177.584 0.010 0.000 1.164 18 A CA 1.373 53.407 52.037 -0.004 0.000 0.644 18 A CB -0.620 18.368 19.000 -0.019 0.000 0.805 18 A HN 0.195 nan 8.150 nan 0.000 0.449 19 V N -0.949 118.981 119.914 0.028 0.000 2.261 19 V HA -0.038 4.082 4.120 0.000 0.000 0.246 19 V C 1.276 177.392 176.094 0.036 0.000 1.047 19 V CA 1.907 64.228 62.300 0.035 0.000 1.015 19 V CB -0.358 31.497 31.823 0.053 0.000 0.642 19 V HN 0.646 nan 8.190 nan 0.000 0.446 20 S N -2.828 112.901 115.700 0.049 0.000 2.565 20 S HA 0.367 4.837 4.470 0.000 0.000 0.274 20 S C -2.600 172.039 174.600 0.066 0.000 1.144 20 S CA -0.626 57.605 58.200 0.052 0.000 0.849 20 S CB 1.739 64.974 63.200 0.057 0.000 1.103 20 S HN 0.011 nan 8.310 nan 0.000 0.455 21 P HA -0.057 nan 4.420 nan 0.000 0.219 21 P C 1.411 178.789 177.300 0.131 0.000 1.146 21 P CA 1.230 64.356 63.100 0.044 0.000 0.808 21 P CB -0.160 31.554 31.700 0.023 0.000 0.779 22 M N -3.486 116.218 119.600 0.174 0.000 2.618 22 M HA 0.119 4.599 4.480 0.000 0.000 0.240 22 M C -0.035 176.450 176.300 0.308 0.000 1.123 22 M CA 0.595 56.057 55.300 0.270 0.000 1.060 22 M CB -0.847 31.842 32.600 0.148 0.000 1.535 22 M HN -0.251 nan 8.290 nan 0.000 0.507 23 c N 2.747 121.507 118.600 0.267 0.000 2.539 23 c HA 0.800 5.370 4.570 0.000 0.000 0.392 23 c C 0.778 175.083 174.090 0.359 0.000 1.269 23 c CA -0.596 55.871 56.329 0.230 0.000 2.250 23 c CB 0.514 43.127 42.510 0.173 0.000 2.584 23 c HN 0.609 nan 8.230 nan 0.000 0.589 24 A N 3.084 126.053 122.820 0.248 0.000 2.422 24 A HA 0.694 5.014 4.320 0.000 0.000 0.302 24 A C -1.147 176.577 177.584 0.233 0.000 1.041 24 A CA -0.349 51.857 52.037 0.282 0.000 0.708 24 A CB 0.986 20.024 19.000 0.064 0.000 1.257 24 A HN 0.969 nan 8.150 nan 0.000 0.414 25 W N 2.983 124.328 121.300 0.074 0.000 2.469 25 W HA 0.497 5.157 4.660 0.000 0.000 0.320 25 W C -0.861 175.669 176.519 0.018 0.000 1.086 25 W CA -0.626 56.738 57.345 0.032 0.000 1.211 25 W CB 1.662 31.136 29.460 0.024 0.000 1.298 25 W HN 0.804 nan 8.180 nan 0.000 0.525 26 c N 4.941 123.236 118.600 -0.508 0.000 2.285 26 c HA 0.404 4.974 4.570 0.000 0.000 0.335 26 c C 1.083 174.974 174.090 -0.332 0.000 1.267 26 c CA -0.115 56.017 56.329 -0.329 0.000 1.762 26 c CB 0.493 42.807 42.510 -0.326 0.000 2.365 26 c HN 0.684 nan 8.230 nan 0.000 0.527 27 S N 2.389 118.087 115.700 -0.002 0.000 2.535 27 S HA 0.041 4.511 4.470 0.000 0.000 0.214 27 S C 0.147 174.767 174.600 0.032 0.000 0.980 27 S CA -0.040 58.220 58.200 0.100 0.000 0.907 27 S CB -0.282 63.015 63.200 0.161 0.000 0.790 27 S HN 0.950 nan 8.310 nan 0.000 0.510 28 D N 2.573 122.968 120.400 -0.009 0.000 2.412 28 D HA 0.014 4.654 4.640 0.000 0.000 0.257 28 D C 0.819 177.125 176.300 0.009 0.000 1.217 28 D CA 0.369 54.370 54.000 0.002 0.000 0.897 28 D CB 0.530 41.320 40.800 -0.017 0.000 1.132 28 D HN 0.235 nan 8.370 nan 0.000 0.493 29 E N 2.605 122.835 120.200 0.049 0.000 2.347 29 E HA -0.093 4.257 4.350 0.000 0.000 0.196 29 E C 1.597 178.226 176.600 0.048 0.000 1.008 29 E CA 0.629 57.076 56.400 0.078 0.000 0.852 29 E CB 0.104 29.883 29.700 0.132 0.000 0.783 29 E HN 0.591 nan 8.360 nan 0.000 0.505 30 A N 0.966 123.803 122.820 0.027 0.000 2.168 30 A HA -0.008 4.312 4.320 0.000 0.000 0.215 30 A C 1.035 178.618 177.584 -0.001 0.000 1.152 30 A CA -0.004 52.041 52.037 0.014 0.000 0.716 30 A CB -0.204 18.802 19.000 0.010 0.000 0.794 30 A HN 0.171 nan 8.150 nan 0.000 0.465 31 L N 1.830 123.044 121.223 -0.014 0.000 2.453 31 L HA 0.267 4.607 4.340 0.000 0.000 0.272 31 L C -1.881 174.973 176.870 -0.025 0.000 1.182 31 L CA -1.448 53.372 54.840 -0.034 0.000 0.858 31 L CB 0.194 42.212 42.059 -0.069 0.000 1.120 31 L HN 0.110 nan 8.230 nan 0.000 0.474 32 P HA 0.066 nan 4.420 nan 0.000 0.274 32 P C 0.671 177.956 177.300 -0.025 0.000 1.237 32 P CA -0.277 62.812 63.100 -0.019 0.000 0.793 32 P CB 0.768 32.457 31.700 -0.019 0.000 0.977 33 L N 0.690 121.906 121.223 -0.012 0.000 2.376 33 L HA -0.040 4.300 4.340 0.000 0.000 0.219 33 L C 2.570 179.428 176.870 -0.020 0.000 1.133 33 L CA 1.406 56.239 54.840 -0.012 0.000 0.816 33 L CB -0.966 41.096 42.059 0.005 0.000 0.933 33 L HN 0.569 nan 8.230 nan 0.000 0.449 34 G N -0.771 108.017 108.800 -0.021 0.000 2.402 34 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 34 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 34 G C 0.847 175.726 174.900 -0.036 0.000 1.162 34 G CA 0.068 45.154 45.100 -0.023 0.000 0.777 34 G HN 0.293 nan 8.290 nan 0.000 0.539 35 S N 1.937 117.608 115.700 -0.048 0.000 2.564 35 S HA 0.388 4.858 4.470 0.000 0.000 0.278 35 S C -2.078 172.465 174.600 -0.094 0.000 1.333 35 S CA -0.800 57.359 58.200 -0.067 0.000 1.048 35 S CB 1.529 64.683 63.200 -0.075 0.000 0.900 35 S HN 0.200 nan 8.310 nan 0.000 0.505 36 P HA 0.325 nan 4.420 nan 0.000 0.279 36 P C -0.010 177.149 177.300 -0.235 0.000 1.239 36 P CA -0.483 62.537 63.100 -0.133 0.000 0.789 36 P CB 0.921 32.569 31.700 -0.087 0.000 0.933 37 R N 0.784 121.050 120.500 -0.390 0.000 2.173 37 R HA 0.088 4.428 4.340 0.000 0.000 0.208 37 R C 0.556 176.426 176.300 -0.716 0.000 1.035 37 R CA 0.528 56.175 56.100 -0.755 0.000 1.004 37 R CB -0.098 29.404 30.300 -1.330 0.000 0.917 37 R HN 0.468 nan 8.270 nan 0.000 0.462 38 c N 1.891 120.280 118.600 -0.352 0.000 2.239 38 c HA 0.391 4.961 4.570 0.000 0.000 0.325 38 c C -0.712 173.377 174.090 -0.001 0.000 1.231 38 c CA -0.443 55.892 56.329 0.009 0.000 1.652 38 c CB -0.423 42.250 42.510 0.272 0.000 2.284 38 c HN 0.338 nan 8.230 nan 0.000 0.499 39 D N 2.579 122.980 120.400 0.002 0.000 2.779 39 D HA 0.357 4.997 4.640 0.000 0.000 0.331 39 D C -1.002 175.292 176.300 -0.010 0.000 1.331 39 D CA -0.408 53.584 54.000 -0.015 0.000 0.866 39 D CB 1.135 41.900 40.800 -0.059 0.000 1.409 39 D HN 0.485 nan 8.370 nan 0.000 0.486 40 L N 1.727 122.931 121.223 -0.032 0.000 2.461 40 L HA 0.213 4.553 4.340 0.000 0.000 0.272 40 L C 1.986 178.773 176.870 -0.139 0.000 1.197 40 L CA -0.010 54.788 54.840 -0.070 0.000 0.836 40 L CB 0.518 42.542 42.059 -0.059 0.000 1.105 40 L HN 0.466 nan 8.230 nan 0.000 0.477 41 K N 1.356 121.593 120.400 -0.271 0.000 2.147 41 K HA -0.172 4.148 4.320 0.000 0.000 0.205 41 K C 1.526 178.004 176.600 -0.204 0.000 1.049 41 K CA 1.534 57.627 56.287 -0.323 0.000 0.936 41 K CB 0.246 32.359 32.500 -0.645 0.000 0.722 41 K HN 0.622 nan 8.250 nan 0.000 0.446 42 E N 0.356 120.455 120.200 -0.168 0.000 2.072 42 E HA -0.146 4.204 4.350 0.000 0.000 0.191 42 E C 1.693 178.242 176.600 -0.085 0.000 0.985 42 E CA 1.210 57.545 56.400 -0.109 0.000 0.801 42 E CB -0.078 29.572 29.700 -0.083 0.000 0.750 42 E HN 0.272 nan 8.360 nan 0.000 0.452 43 N N 0.375 119.026 118.700 -0.083 0.000 2.188 43 N HA -0.074 4.666 4.740 0.000 0.000 0.184 43 N C 1.755 177.220 175.510 -0.075 0.000 1.018 43 N CA 0.821 53.830 53.050 -0.068 0.000 0.858 43 N CB -0.120 38.331 38.487 -0.060 0.000 0.989 43 N HN 0.171 nan 8.380 nan 0.000 0.426 44 L N 0.391 121.560 121.223 -0.091 0.000 2.027 44 L HA -0.056 4.284 4.340 0.000 0.000 0.206 44 L C 2.193 179.017 176.870 -0.078 0.000 1.074 44 L CA 0.784 55.568 54.840 -0.094 0.000 0.745 44 L CB -0.545 41.450 42.059 -0.107 0.000 0.898 44 L HN 0.099 nan 8.230 nan 0.000 0.433 45 L N 0.026 121.203 121.223 -0.077 0.000 2.079 45 L HA -0.241 4.099 4.340 0.000 0.000 0.210 45 L C 2.661 179.501 176.870 -0.050 0.000 1.081 45 L CA 1.372 56.176 54.840 -0.060 0.000 0.752 45 L CB -0.416 41.606 42.059 -0.062 0.000 0.896 45 L HN 0.268 nan 8.230 nan 0.000 0.433 46 K N -0.229 120.140 120.400 -0.052 0.000 2.288 46 K HA -0.123 4.197 4.320 0.000 0.000 0.201 46 K C 0.245 176.821 176.600 -0.041 0.000 1.048 46 K CA 1.000 57.261 56.287 -0.043 0.000 0.956 46 K CB 0.213 32.688 32.500 -0.042 0.000 0.746 46 K HN 0.210 nan 8.250 nan 0.000 0.461 47 D N 0.940 121.311 120.400 -0.049 0.000 2.587 47 D HA 0.074 4.714 4.640 0.000 0.000 0.233 47 D C -0.601 175.670 176.300 -0.047 0.000 1.213 47 D CA -0.005 53.966 54.000 -0.048 0.000 0.827 47 D CB 0.255 41.021 40.800 -0.058 0.000 1.006 47 D HN 0.132 nan 8.370 nan 0.000 0.490 48 N N -0.591 118.085 118.700 -0.040 0.000 2.800 48 N HA -0.204 4.536 4.740 0.000 0.000 0.250 48 N C -0.110 175.378 175.510 -0.037 0.000 1.078 48 N CA 0.381 53.411 53.050 -0.034 0.000 0.804 48 N CB -2.145 36.326 38.487 -0.028 0.000 1.135 48 N HN 0.383 nan 8.380 nan 0.000 0.565 49 c N 1.446 120.017 118.600 -0.049 0.000 2.632 49 c HA 0.580 5.150 4.570 0.000 0.000 0.415 49 c C 1.386 175.456 174.090 -0.035 0.000 1.332 49 c CA -0.296 56.002 56.329 -0.052 0.000 1.874 49 c CB -0.901 41.562 42.510 -0.077 0.000 2.596 49 c HN 0.497 nan 8.230 nan 0.000 0.590 50 A N 8.371 131.178 122.820 -0.023 0.000 2.515 50 A HA 0.309 4.629 4.320 0.000 0.000 0.263 50 A C -1.060 176.520 177.584 -0.006 0.000 1.096 50 A CA -0.612 51.419 52.037 -0.010 0.000 0.769 50 A CB -0.155 18.845 19.000 -0.000 0.000 1.040 50 A HN 0.828 nan 8.150 nan 0.000 0.505 51 P HA -0.203 nan 4.420 nan 0.000 0.217 51 P C 0.917 178.225 177.300 0.014 0.000 1.148 51 P CA 1.655 64.754 63.100 -0.002 0.000 0.834 51 P CB 0.191 31.890 31.700 -0.002 0.000 0.783 52 E N -1.124 119.086 120.200 0.017 0.000 2.208 52 E HA -0.047 4.303 4.350 0.000 0.000 0.193 52 E C 1.456 178.078 176.600 0.037 0.000 0.988 52 E CA 0.929 57.345 56.400 0.027 0.000 0.828 52 E CB -0.272 29.442 29.700 0.023 0.000 0.763 52 E HN 0.240 nan 8.360 nan 0.000 0.478 53 S N 0.357 116.077 115.700 0.033 0.000 2.575 53 S HA 0.156 4.626 4.470 0.000 0.000 0.215 53 S C 0.677 175.314 174.600 0.063 0.000 0.966 53 S CA -0.073 58.154 58.200 0.045 0.000 0.911 53 S CB 0.215 63.433 63.200 0.029 0.000 0.780 53 S HN 0.121 nan 8.310 nan 0.000 0.514 54 I N 2.743 123.347 120.570 0.056 0.000 2.441 54 I HA 0.130 4.300 4.170 0.000 0.000 0.287 54 I C 0.137 176.339 176.117 0.142 0.000 1.049 54 I CA -0.018 61.329 61.300 0.078 0.000 1.381 54 I CB 0.629 38.650 38.000 0.036 0.000 1.409 54 I HN -0.006 nan 8.210 nan 0.000 0.523 55 E N 6.809 127.133 120.200 0.208 0.000 2.092 55 E HA 0.277 4.627 4.350 0.000 0.000 0.271 55 E C -1.214 175.570 176.600 0.307 0.000 0.919 55 E CA -0.368 56.166 56.400 0.223 0.000 0.760 55 E CB 1.924 31.758 29.700 0.223 0.000 1.106 55 E HN 0.352 nan 8.360 nan 0.000 0.408 56 F N 4.796 124.784 119.950 0.063 0.000 3.050 56 F HA 0.295 4.822 4.527 0.000 0.000 0.382 56 F C -2.505 173.318 175.800 0.038 0.000 1.246 56 F CA -2.238 55.793 58.000 0.052 0.000 1.217 56 F CB 0.917 39.943 39.000 0.044 0.000 1.795 56 F HN 0.147 nan 8.300 nan 0.000 0.622 57 P HA 0.212 nan 4.420 nan 0.000 0.264 57 P C -0.989 176.070 177.300 -0.402 0.000 1.193 57 P CA 0.042 63.006 63.100 -0.227 0.000 0.763 57 P CB 1.010 32.626 31.700 -0.141 0.000 0.810 58 V N 2.848 122.613 119.914 -0.247 0.000 2.417 58 V HA 0.224 4.344 4.120 0.000 0.000 0.291 58 V C 0.407 176.431 176.094 -0.117 0.000 1.024 58 V CA -0.571 61.602 62.300 -0.211 0.000 0.861 58 V CB 1.562 33.316 31.823 -0.114 0.000 0.985 58 V HN 0.508 nan 8.190 nan 0.000 0.436 59 S N 4.258 119.898 115.700 -0.099 0.000 2.572 59 S HA 0.413 4.883 4.470 0.000 0.000 0.279 59 S C -0.002 174.579 174.600 -0.032 0.000 1.341 59 S CA -0.444 57.723 58.200 -0.054 0.000 1.043 59 S CB 0.446 63.627 63.200 -0.031 0.000 0.887 59 S HN 0.977 nan 8.310 nan 0.000 0.516 60 E N -0.109 120.074 120.200 -0.029 0.000 2.433 60 E HA 0.748 5.098 4.350 0.000 0.000 0.278 60 E C -1.608 174.978 176.600 -0.023 0.000 0.976 60 E CA -1.408 54.981 56.400 -0.018 0.000 0.793 60 E CB 1.586 31.271 29.700 -0.026 0.000 1.311 60 E HN 0.535 nan 8.360 nan 0.000 0.460 61 A N 1.594 124.408 122.820 -0.011 0.000 2.343 61 A HA 0.671 4.991 4.320 0.000 0.000 0.316 61 A C -0.835 176.724 177.584 -0.042 0.000 1.104 61 A CA -0.804 51.211 52.037 -0.036 0.000 0.768 61 A CB 1.138 20.150 19.000 0.020 0.000 1.213 61 A HN 0.513 nan 8.150 nan 0.000 0.456 62 R N 1.681 122.136 120.500 -0.075 0.000 2.409 62 R HA 0.426 4.766 4.340 0.000 0.000 0.313 62 R C -0.517 175.738 176.300 -0.075 0.000 0.953 62 R CA -0.685 55.378 56.100 -0.062 0.000 0.849 62 R CB 1.866 32.129 30.300 -0.061 0.000 1.171 62 R HN 0.715 nan 8.270 nan 0.000 0.458 63 V N 3.441 123.325 119.914 -0.050 0.000 2.425 63 V HA 0.072 4.192 4.120 0.000 0.000 0.276 63 V C 1.066 177.130 176.094 -0.050 0.000 1.017 63 V CA 0.163 62.434 62.300 -0.050 0.000 1.062 63 V CB -0.034 31.776 31.823 -0.022 0.000 0.997 63 V HN 0.790 nan 8.190 nan 0.000 0.476 64 L N 2.575 123.758 121.223 -0.066 0.000 2.200 64 L HA 0.333 4.673 4.340 0.000 0.000 0.200 64 L C 1.215 178.058 176.870 -0.045 0.000 1.072 64 L CA 0.785 55.590 54.840 -0.058 0.000 0.787 64 L CB 0.019 42.034 42.059 -0.073 0.000 0.957 64 L HN 0.661 nan 8.230 nan 0.000 0.459 65 E N 0.612 120.783 120.200 -0.047 0.000 2.155 65 E HA 0.161 4.511 4.350 0.000 0.000 0.264 65 E C -1.051 175.535 176.600 -0.024 0.000 0.886 65 E CA -0.109 56.272 56.400 -0.033 0.000 0.752 65 E CB 1.686 31.365 29.700 -0.035 0.000 1.133 65 E HN -0.043 nan 8.360 nan 0.000 0.414 66 D N 3.367 123.759 120.400 -0.014 0.000 2.879 66 D HA 0.132 4.772 4.640 0.000 0.000 0.351 66 D C -0.701 175.600 176.300 0.001 0.000 1.239 66 D CA -0.494 53.503 54.000 -0.004 0.000 0.771 66 D CB 0.154 40.952 40.800 -0.003 0.000 1.176 66 D HN 0.183 nan 8.370 nan 0.000 0.496 67 R N 1.515 122.016 120.500 0.003 0.000 2.543 67 R HA 0.355 4.695 4.340 0.000 0.000 0.277 67 R C -1.965 174.343 176.300 0.013 0.000 1.074 67 R CA -1.079 55.025 56.100 0.006 0.000 1.076 67 R CB 0.494 30.797 30.300 0.006 0.000 0.993 67 R HN 0.227 nan 8.270 nan 0.000 0.459 68 P HA 0.011 nan 4.420 nan 0.000 0.272 68 P C -0.492 176.821 177.300 0.022 0.000 1.230 68 P CA -0.173 62.937 63.100 0.016 0.000 0.788 68 P CB 0.618 32.325 31.700 0.013 0.000 0.949 69 L N 0.846 122.085 121.223 0.026 0.000 2.461 69 L HA 0.112 4.452 4.340 0.000 0.000 0.272 69 L C 1.214 178.100 176.870 0.027 0.000 1.197 69 L CA 0.040 54.900 54.840 0.033 0.000 0.836 69 L CB -0.073 42.008 42.059 0.038 0.000 1.105 69 L HN 0.378 nan 8.230 nan 0.000 0.477 70 S N 0.851 116.569 115.700 0.030 0.000 2.617 70 S HA 0.303 4.773 4.470 0.000 0.000 0.269 70 S C -0.504 174.106 174.600 0.016 0.000 1.292 70 S CA -0.827 57.385 58.200 0.020 0.000 1.010 70 S CB 1.023 64.235 63.200 0.019 0.000 0.944 70 S HN 0.508 nan 8.310 nan 0.000 0.536 71 D N 0.506 120.912 120.400 0.009 0.000 2.654 71 D HA 0.619 5.259 4.640 0.000 0.000 0.255 71 D C -0.252 176.048 176.300 -0.000 0.000 1.101 71 D CA -0.599 53.405 54.000 0.006 0.000 1.116 71 D CB 1.049 41.853 40.800 0.006 0.000 1.348 71 D HN 0.322 nan 8.370 nan 0.000 0.609 79 Q N 1.772 121.574 119.800 0.003 0.000 1.969 79 Q HA 0.150 4.490 4.340 0.000 0.000 0.198 79 Q C -0.444 175.563 176.000 0.010 0.000 0.978 79 Q CA 1.801 57.608 55.803 0.007 0.000 0.830 79 Q CB 0.101 28.844 28.738 0.007 0.000 0.896 79 Q HN 0.387 nan 8.270 nan 0.000 0.431 80 V N 1.916 121.837 119.914 0.011 0.000 4.190 80 V HA -0.193 3.927 4.120 0.000 0.000 0.437 80 V C -0.785 175.328 176.094 0.033 0.000 0.680 80 V CA 1.021 63.331 62.300 0.016 0.000 1.799 80 V CB -1.766 30.061 31.823 0.007 0.000 2.188 80 V HN 0.449 nan 8.190 nan 0.000 0.488 81 T N 6.415 120.992 114.554 0.037 0.000 2.733 81 T HA 0.404 4.754 4.350 0.000 0.000 0.294 81 T C 0.838 175.582 174.700 0.074 0.000 0.956 81 T CA -0.247 61.883 62.100 0.050 0.000 0.987 81 T CB 1.742 70.632 68.868 0.036 0.000 0.920 81 T HN 0.755 nan 8.240 nan 0.000 0.470 82 Q N 1.519 121.387 119.800 0.113 0.000 2.280 82 Q HA 0.252 4.592 4.340 0.000 0.000 0.228 82 Q C -0.004 176.069 176.000 0.123 0.000 0.857 82 Q CA 0.108 56.013 55.803 0.170 0.000 0.939 82 Q CB 1.027 29.966 28.738 0.336 0.000 1.114 82 Q HN 0.402 nan 8.270 nan 0.000 0.514 83 V N 0.259 120.225 119.914 0.086 0.000 2.604 83 V HA 0.539 4.659 4.120 0.000 0.000 0.305 83 V C -0.687 175.433 176.094 0.045 0.000 1.043 83 V CA -0.607 61.722 62.300 0.047 0.000 0.888 83 V CB 1.952 33.791 31.823 0.027 0.000 0.995 83 V HN -0.063 nan 8.190 nan 0.000 0.429 84 S N 5.576 121.304 115.700 0.047 0.000 2.603 84 S HA 0.632 5.102 4.470 0.000 0.000 0.274 84 S C -2.947 171.685 174.600 0.055 0.000 1.168 84 S CA -0.939 57.286 58.200 0.042 0.000 0.963 84 S CB 2.400 65.623 63.200 0.038 0.000 1.078 84 S HN 0.557 nan 8.310 nan 0.000 0.477 85 P HA 0.330 nan 4.420 nan 0.000 0.275 85 P C -0.268 177.036 177.300 0.007 0.000 1.266 85 P CA -0.154 62.958 63.100 0.019 0.000 0.793 85 P CB 0.656 32.360 31.700 0.007 0.000 1.074 86 Q N -1.039 118.754 119.800 -0.012 0.000 2.373 86 Q HA 0.185 4.525 4.340 0.000 0.000 0.210 86 Q C 0.801 176.766 176.000 -0.058 0.000 0.913 86 Q CA 0.876 56.665 55.803 -0.022 0.000 0.911 86 Q CB 0.428 29.157 28.738 -0.014 0.000 1.040 86 Q HN 0.342 nan 8.270 nan 0.000 0.521 87 R N 0.320 120.775 120.500 -0.076 0.000 2.510 87 R HA 0.490 4.830 4.340 0.000 0.000 0.287 87 R C -1.660 174.554 176.300 -0.143 0.000 1.084 87 R CA -0.199 55.830 56.100 -0.120 0.000 0.934 87 R CB 0.917 31.157 30.300 -0.099 0.000 1.201 87 R HN 0.054 nan 8.270 nan 0.000 0.431 88 I N 2.509 122.946 120.570 -0.222 0.000 2.603 88 I HA 0.546 4.716 4.170 0.000 0.000 0.300 88 I C -0.308 175.644 176.117 -0.274 0.000 1.017 88 I CA -1.069 60.078 61.300 -0.255 0.000 1.098 88 I CB 2.217 39.989 38.000 -0.380 0.000 1.279 88 I HN 0.694 nan 8.210 nan 0.000 0.437 89 A N 6.976 129.665 122.820 -0.219 0.000 2.273 89 A HA 0.705 5.025 4.320 0.000 0.000 0.315 89 A C -0.893 176.570 177.584 -0.202 0.000 1.256 89 A CA -0.424 51.492 52.037 -0.200 0.000 0.851 89 A CB 0.547 19.462 19.000 -0.142 0.000 1.172 89 A HN 0.643 nan 8.150 nan 0.000 0.508 90 L N 2.820 123.908 121.223 -0.225 0.000 2.296 90 L HA 0.519 4.859 4.340 0.000 0.000 0.286 90 L C 0.434 177.195 176.870 -0.182 0.000 1.023 90 L CA -0.396 54.335 54.840 -0.183 0.000 0.812 90 L CB 1.501 43.459 42.059 -0.168 0.000 1.223 90 L HN 0.790 nan 8.230 nan 0.000 0.421 91 R N 4.658 125.078 120.500 -0.133 0.000 2.310 91 R HA 0.631 4.971 4.340 0.000 0.000 0.324 91 R C -1.417 174.830 176.300 -0.088 0.000 0.955 91 R CA -0.499 55.521 56.100 -0.133 0.000 0.830 91 R CB 0.941 31.183 30.300 -0.096 0.000 1.154 91 R HN 0.571 nan 8.270 nan 0.000 0.458 92 L N 4.652 125.822 121.223 -0.087 0.000 2.342 92 L HA 0.617 4.957 4.340 0.000 0.000 0.271 92 L C 0.156 177.072 176.870 0.077 0.000 1.008 92 L CA -1.042 53.808 54.840 0.016 0.000 0.818 92 L CB 1.995 44.106 42.059 0.087 0.000 1.296 92 L HN 0.618 nan 8.230 nan 0.000 0.427 93 R N 1.367 121.897 120.500 0.051 0.000 2.691 93 R HA 0.635 4.975 4.340 0.000 0.000 0.259 93 R C -2.731 173.605 176.300 0.059 0.000 1.048 93 R CA -2.088 54.037 56.100 0.042 0.000 1.086 93 R CB 0.237 30.519 30.300 -0.029 0.000 1.166 93 R HN 0.163 nan 8.270 nan 0.000 0.526 94 P HA -0.082 nan 4.420 nan 0.000 0.260 94 P C -0.755 176.552 177.300 0.013 0.000 1.172 94 P CA 0.846 63.954 63.100 0.014 0.000 0.760 94 P CB 0.175 31.873 31.700 -0.004 0.000 0.773 95 D N -0.708 119.697 120.400 0.008 0.000 2.978 95 D HA -0.185 4.455 4.640 0.000 0.000 0.205 95 D C 0.280 176.592 176.300 0.020 0.000 1.093 95 D CA 1.404 55.409 54.000 0.008 0.000 1.006 95 D CB -0.824 39.978 40.800 0.003 0.000 1.116 95 D HN 0.429 nan 8.370 nan 0.000 0.419 96 D N -0.281 120.138 120.400 0.032 0.000 2.387 96 D HA 0.512 5.152 4.640 0.000 0.000 0.251 96 D C 0.236 176.559 176.300 0.039 0.000 1.141 96 D CA 0.007 54.023 54.000 0.027 0.000 0.987 96 D CB 1.147 41.955 40.800 0.013 0.000 1.116 96 D HN 0.119 nan 8.370 nan 0.000 0.491 97 S N 0.226 115.944 115.700 0.029 0.000 2.709 97 S HA 0.834 5.304 4.470 0.000 0.000 0.302 97 S C -0.783 173.841 174.600 0.040 0.000 1.127 97 S CA -0.799 57.422 58.200 0.036 0.000 0.905 97 S CB 2.598 65.806 63.200 0.014 0.000 1.151 97 S HN 0.378 nan 8.310 nan 0.000 0.510 98 K N 0.504 120.942 120.400 0.064 0.000 2.562 98 K HA 0.482 4.802 4.320 0.000 0.000 0.267 98 K C -1.955 174.720 176.600 0.125 0.000 0.938 98 K CA -0.383 55.956 56.287 0.085 0.000 0.840 98 K CB 1.395 33.951 32.500 0.094 0.000 1.390 98 K HN 0.922 nan 8.250 nan 0.000 0.428 99 N N 1.742 120.501 118.700 0.099 0.000 2.402 99 N HA 0.702 5.442 4.740 0.000 0.000 0.294 99 N C -0.893 174.716 175.510 0.166 0.000 1.203 99 N CA -0.474 52.583 53.050 0.012 0.000 0.838 99 N CB 0.898 39.343 38.487 -0.070 0.000 1.306 99 N HN 0.454 nan 8.380 nan 0.000 0.510 100 F N -3.410 116.548 119.950 0.013 0.000 2.713 100 F HA 0.653 5.180 4.527 0.000 0.000 0.311 100 F C -0.603 175.222 175.800 0.042 0.000 1.141 100 F CA -1.168 56.844 58.000 0.020 0.000 0.939 100 F CB 1.287 40.295 39.000 0.013 0.000 1.325 100 F HN 0.458 nan 8.300 nan 0.000 0.453 101 S N 1.367 117.203 115.700 0.227 0.000 2.593 101 S HA 0.817 5.287 4.470 0.000 0.000 0.297 101 S C -1.188 173.544 174.600 0.221 0.000 1.112 101 S CA -0.627 57.659 58.200 0.144 0.000 1.043 101 S CB 1.171 64.429 63.200 0.097 0.000 1.054 101 S HN 0.781 nan 8.310 nan 0.000 0.516 102 I N 2.487 123.175 120.570 0.195 0.000 2.722 102 I HA 0.414 4.584 4.170 0.000 0.000 0.295 102 I C -1.281 174.944 176.117 0.179 0.000 1.161 102 I CA -0.491 60.929 61.300 0.201 0.000 1.032 102 I CB 2.050 40.193 38.000 0.238 0.000 1.244 102 I HN 0.665 nan 8.210 nan 0.000 0.421 103 Q N 5.123 124.998 119.800 0.126 0.000 2.337 103 Q HA 0.667 5.007 4.340 0.000 0.000 0.266 103 Q C -1.617 174.434 176.000 0.084 0.000 1.023 103 Q CA -0.789 55.069 55.803 0.092 0.000 0.829 103 Q CB 3.185 31.955 28.738 0.052 0.000 1.306 103 Q HN 0.434 nan 8.270 nan 0.000 0.449 104 V N 2.409 122.369 119.914 0.076 0.000 2.709 104 V HA 0.618 4.738 4.120 0.000 0.000 0.308 104 V C -0.702 175.415 176.094 0.037 0.000 1.062 104 V CA -0.826 61.486 62.300 0.019 0.000 0.901 104 V CB 2.131 33.927 31.823 -0.045 0.000 1.003 104 V HN 0.694 nan 8.190 nan 0.000 0.425 105 R N 2.778 123.330 120.500 0.088 0.000 2.564 105 R HA 0.503 4.843 4.340 0.000 0.000 0.284 105 R C -1.077 175.390 176.300 0.278 0.000 1.031 105 R CA -0.785 55.398 56.100 0.139 0.000 0.904 105 R CB 1.981 32.337 30.300 0.093 0.000 1.199 105 R HN 0.713 nan 8.270 nan 0.000 0.443 106 Q N 3.266 123.223 119.800 0.262 0.000 2.348 106 Q HA 0.155 4.495 4.340 0.000 0.000 0.251 106 Q C -0.535 175.495 176.000 0.049 0.000 1.113 106 Q CA 0.142 56.074 55.803 0.215 0.000 0.902 106 Q CB 1.251 30.091 28.738 0.169 0.000 1.333 106 Q HN 0.607 nan 8.270 nan 0.000 0.457 107 V N 3.067 122.997 119.914 0.027 0.000 2.690 107 V HA 0.091 4.211 4.120 0.000 0.000 0.240 107 V C 0.681 176.721 176.094 -0.090 0.000 1.078 107 V CA 0.402 62.689 62.300 -0.021 0.000 1.102 107 V CB -0.148 31.686 31.823 0.017 0.000 0.800 107 V HN 0.746 nan 8.190 nan 0.000 0.479 108 E N 1.212 121.339 120.200 -0.121 0.000 2.398 108 E HA 0.024 4.374 4.350 0.000 0.000 0.263 108 E C -0.716 175.759 176.600 -0.208 0.000 1.046 108 E CA -0.423 55.894 56.400 -0.139 0.000 0.908 108 E CB 0.481 30.095 29.700 -0.142 0.000 0.963 108 E HN 0.362 nan 8.360 nan 0.000 0.431 109 D N 2.108 122.427 120.400 -0.135 0.000 2.362 109 D HA 0.025 4.665 4.640 0.000 0.000 0.242 109 D C -0.525 175.748 176.300 -0.044 0.000 1.132 109 D CA 0.331 54.270 54.000 -0.101 0.000 0.907 109 D CB 0.293 41.098 40.800 0.008 0.000 1.195 109 D HN 0.290 nan 8.370 nan 0.000 0.429 110 Y N 0.993 121.387 120.300 0.157 0.000 2.336 110 Y HA 0.195 4.745 4.550 0.000 0.000 0.331 110 Y C -1.538 174.435 175.900 0.122 0.000 1.211 110 Y CA -2.255 55.873 58.100 0.046 0.000 1.346 110 Y CB -0.064 38.306 38.460 -0.150 0.000 1.271 110 Y HN 0.075 nan 8.280 nan 0.000 0.538 111 P HA 0.181 nan 4.420 nan 0.000 0.282 111 P C -1.041 176.344 177.300 0.142 0.000 1.262 111 P CA 0.016 63.202 63.100 0.143 0.000 0.773 111 P CB 1.265 33.017 31.700 0.085 0.000 0.879 112 V N 3.953 123.961 119.914 0.158 0.000 2.638 112 V HA 0.285 4.405 4.120 0.000 0.000 0.306 112 V C -0.337 175.856 176.094 0.164 0.000 1.052 112 V CA -0.520 61.877 62.300 0.162 0.000 0.885 112 V CB 2.210 34.155 31.823 0.205 0.000 0.999 112 V HN 0.429 nan 8.190 nan 0.000 0.424 113 D N 4.551 125.102 120.400 0.252 0.000 2.233 113 D HA 0.569 5.209 4.640 0.000 0.000 0.240 113 D C -0.482 176.027 176.300 0.348 0.000 1.074 113 D CA 0.024 54.216 54.000 0.319 0.000 0.838 113 D CB 2.166 43.319 40.800 0.588 0.000 1.124 113 D HN 0.346 nan 8.370 nan 0.000 0.475 114 I N 2.701 123.393 120.570 0.204 0.000 2.382 114 I HA 0.203 4.373 4.170 0.000 0.000 0.286 114 I C -0.950 175.299 176.117 0.221 0.000 1.002 114 I CA -1.006 60.426 61.300 0.219 0.000 1.135 114 I CB 1.230 39.275 38.000 0.075 0.000 1.288 114 I HN 0.226 nan 8.210 nan 0.000 0.448 115 Y N 7.144 127.566 120.300 0.204 0.000 2.341 115 Y HA 0.411 4.961 4.550 0.000 0.000 0.337 115 Y C -1.283 174.857 175.900 0.400 0.000 1.014 115 Y CA -0.647 57.570 58.100 0.195 0.000 1.111 115 Y CB 1.232 39.675 38.460 -0.029 0.000 1.194 115 Y HN 0.442 nan 8.280 nan 0.000 0.462 116 Y N 6.899 127.107 120.300 -0.154 0.000 2.334 116 Y HA 0.512 5.062 4.550 0.000 0.000 0.336 116 Y C -1.567 174.355 175.900 0.036 0.000 0.960 116 Y CA -1.438 56.691 58.100 0.048 0.000 1.164 116 Y CB 0.764 39.321 38.460 0.161 0.000 1.155 116 Y HN 0.599 nan 8.280 nan 0.000 0.478 117 L N 7.461 128.636 121.223 -0.081 0.000 2.257 117 L HA 0.464 4.804 4.340 0.000 0.000 0.290 117 L C -0.540 176.168 176.870 -0.269 0.000 1.044 117 L CA -0.346 54.528 54.840 0.056 0.000 0.810 117 L CB 0.921 43.198 42.059 0.363 0.000 1.193 117 L HN 0.607 nan 8.230 nan 0.000 0.425 118 M N 3.331 122.821 119.600 -0.183 0.000 2.061 118 M HA 0.191 4.671 4.480 0.000 0.000 0.346 118 M C -0.423 175.567 176.300 -0.518 0.000 1.112 118 M CA -0.628 54.461 55.300 -0.353 0.000 1.021 118 M CB 1.138 33.614 32.600 -0.207 0.000 1.530 118 M HN 0.377 nan 8.290 nan 0.000 0.437 119 D N 4.436 124.370 120.400 -0.777 0.000 2.363 119 D HA 0.066 4.706 4.640 0.000 0.000 0.263 119 D C -0.189 175.778 176.300 -0.555 0.000 1.258 119 D CA 0.411 53.737 54.000 -1.124 0.000 0.907 119 D CB 0.660 41.050 40.800 -0.683 0.000 1.107 119 D HN 0.656 nan 8.370 nan 0.000 0.495 120 L N 3.308 124.249 121.223 -0.470 0.000 3.141 120 L HA 0.097 4.437 4.340 0.000 0.000 0.267 120 L C 0.855 177.637 176.870 -0.147 0.000 1.281 120 L CA -0.399 54.325 54.840 -0.194 0.000 1.037 120 L CB -0.017 42.035 42.059 -0.013 0.000 1.407 120 L HN 0.278 nan 8.230 nan 0.000 0.566 121 S N -2.047 113.545 115.700 -0.179 0.000 2.614 121 S HA 0.023 4.493 4.470 0.000 0.000 0.265 121 S C 0.916 175.535 174.600 0.032 0.000 1.303 121 S CA -0.309 57.862 58.200 -0.048 0.000 1.000 121 S CB 0.831 64.014 63.200 -0.029 0.000 0.935 121 S HN 0.256 nan 8.310 nan 0.000 0.551 122 Y N 1.830 122.126 120.300 -0.006 0.000 2.333 122 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 122 Y C 2.736 178.641 175.900 0.009 0.000 1.144 122 Y CA 1.777 59.884 58.100 0.012 0.000 1.228 122 Y CB -0.751 37.733 38.460 0.039 0.000 0.985 122 Y HN 0.878 nan 8.280 nan 0.000 0.542 123 S N -0.787 114.946 115.700 0.055 0.000 2.419 123 S HA -0.204 4.266 4.470 0.000 0.000 0.235 123 S C 1.651 176.201 174.600 -0.083 0.000 1.019 123 S CA 1.361 59.557 58.200 -0.006 0.000 0.982 123 S CB -0.451 62.770 63.200 0.035 0.000 0.789 123 S HN 0.396 nan 8.310 nan 0.000 0.490 124 M N 1.056 120.593 119.600 -0.104 0.000 2.563 124 M HA 0.242 4.722 4.480 0.000 0.000 0.231 124 M C 1.812 178.028 176.300 -0.139 0.000 1.136 124 M CA 0.357 55.591 55.300 -0.109 0.000 1.026 124 M CB -0.744 31.783 32.600 -0.121 0.000 1.597 124 M HN 0.462 nan 8.290 nan 0.000 0.495 125 K N 1.751 122.004 120.400 -0.245 0.000 2.032 125 K HA -0.206 4.114 4.320 0.000 0.000 0.209 125 K C 1.521 178.037 176.600 -0.140 0.000 1.048 125 K CA 2.032 58.158 56.287 -0.268 0.000 0.927 125 K CB 0.014 32.190 32.500 -0.539 0.000 0.712 125 K HN 0.429 nan 8.250 nan 0.000 0.441 126 D N -0.279 120.049 120.400 -0.121 0.000 2.317 126 D HA -0.150 4.490 4.640 0.000 0.000 0.211 126 D C 0.517 176.816 176.300 -0.003 0.000 0.966 126 D CA 0.849 54.817 54.000 -0.054 0.000 0.876 126 D CB -0.067 40.702 40.800 -0.051 0.000 0.927 126 D HN 0.261 nan 8.370 nan 0.000 0.519 127 D N 0.204 120.599 120.400 -0.009 0.000 2.349 127 D HA 0.011 4.651 4.640 0.000 0.000 0.214 127 D C 1.924 178.249 176.300 0.041 0.000 1.063 127 D CA -0.246 53.772 54.000 0.029 0.000 0.847 127 D CB 0.637 41.437 40.800 0.000 0.000 0.933 127 D HN 0.147 nan 8.370 nan 0.000 0.513 128 L N -0.029 121.211 121.223 0.028 0.000 2.046 128 L HA -0.071 4.269 4.340 0.000 0.000 0.208 128 L C 2.064 178.962 176.870 0.047 0.000 1.077 128 L CA 1.601 56.447 54.840 0.009 0.000 0.747 128 L CB -0.627 41.428 42.059 -0.007 0.000 0.896 128 L HN 0.129 nan 8.230 nan 0.000 0.432 129 W N -0.118 121.151 121.300 -0.052 0.000 2.338 129 W HA -0.244 4.416 4.660 0.000 0.000 0.304 129 W C 2.567 179.068 176.519 -0.030 0.000 1.212 129 W CA 2.126 59.446 57.345 -0.042 0.000 1.264 129 W CB -0.215 29.223 29.460 -0.037 0.000 1.142 129 W HN 0.138 nan 8.180 nan 0.000 0.512 130 S N 0.813 116.672 115.700 0.266 0.000 2.368 130 S HA -0.237 4.233 4.470 0.000 0.000 0.225 130 S C 1.829 176.394 174.600 -0.057 0.000 1.030 130 S CA 1.868 60.153 58.200 0.141 0.000 0.999 130 S CB -0.853 62.463 63.200 0.193 0.000 0.844 130 S HN 0.536 nan 8.310 nan 0.000 0.459 131 I N -0.162 120.389 120.570 -0.032 0.000 2.761 131 I HA -0.065 4.105 4.170 0.000 0.000 0.261 131 I C 2.113 178.204 176.117 -0.043 0.000 1.198 131 I CA 1.071 62.380 61.300 0.015 0.000 1.482 131 I CB -0.471 37.524 38.000 -0.009 0.000 1.100 131 I HN 0.169 nan 8.210 nan 0.000 0.445 132 Q N 1.441 121.116 119.800 -0.209 0.000 2.083 132 Q HA -0.167 4.173 4.340 0.000 0.000 0.198 132 Q C 2.001 177.747 176.000 -0.423 0.000 0.969 132 Q CA 1.871 57.484 55.803 -0.318 0.000 0.838 132 Q CB -0.251 28.277 28.738 -0.350 0.000 0.900 132 Q HN 0.613 nan 8.270 nan 0.000 0.436 133 N N 0.595 118.920 118.700 -0.625 0.000 2.120 133 N HA -0.179 4.561 4.740 0.000 0.000 0.188 133 N C 1.603 176.909 175.510 -0.340 0.000 1.024 133 N CA 0.731 53.397 53.050 -0.640 0.000 0.852 133 N CB -0.099 37.747 38.487 -1.068 0.000 1.003 133 N HN 0.136 nan 8.380 nan 0.000 0.424 134 L N 0.176 121.255 121.223 -0.240 0.000 2.027 134 L HA 0.144 4.484 4.340 0.000 0.000 0.206 134 L C 2.129 178.827 176.870 -0.286 0.000 1.074 134 L CA 2.096 56.843 54.840 -0.156 0.000 0.745 134 L CB -1.241 40.810 42.059 -0.012 0.000 0.898 134 L HN 0.263 nan 8.230 nan 0.000 0.433 135 G N -1.530 107.022 108.800 -0.413 0.000 2.446 135 G HA2 -0.339 3.621 3.960 0.000 0.000 0.217 135 G HA3 -0.339 3.621 3.960 0.000 0.000 0.217 135 G C 1.503 176.288 174.900 -0.192 0.000 1.168 135 G CA 1.532 46.250 45.100 -0.636 0.000 0.771 135 G HN 0.532 nan 8.290 nan 0.000 0.551 136 T N -1.187 113.265 114.554 -0.171 0.000 2.942 136 T HA 0.099 4.449 4.350 0.000 0.000 0.265 136 T C 2.153 176.797 174.700 -0.094 0.000 1.062 136 T CA 1.130 63.185 62.100 -0.075 0.000 1.139 136 T CB -0.051 68.735 68.868 -0.137 0.000 0.883 136 T HN 0.150 nan 8.240 nan 0.000 0.468 137 K N 1.043 121.362 120.400 -0.136 0.000 2.155 137 K HA 0.180 4.500 4.320 0.000 0.000 0.203 137 K C 2.292 178.823 176.600 -0.115 0.000 1.052 137 K CA 0.546 56.767 56.287 -0.110 0.000 0.948 137 K CB -0.518 31.922 32.500 -0.101 0.000 0.728 137 K HN 0.390 nan 8.250 nan 0.000 0.448 138 L N 0.702 121.832 121.223 -0.154 0.000 1.976 138 L HA -0.214 4.126 4.340 0.000 0.000 0.209 138 L C 2.638 179.397 176.870 -0.185 0.000 1.071 138 L CA 1.428 56.167 54.840 -0.168 0.000 0.746 138 L CB -0.671 41.246 42.059 -0.236 0.000 0.890 138 L HN 0.135 nan 8.230 nan 0.000 0.432 139 A N -0.571 122.117 122.820 -0.220 0.000 1.873 139 A HA -0.241 4.079 4.320 0.000 0.000 0.218 139 A C 2.330 179.823 177.584 -0.152 0.000 1.193 139 A CA 2.639 54.518 52.037 -0.264 0.000 0.629 139 A CB -1.056 17.807 19.000 -0.228 0.000 0.826 139 A HN 0.444 nan 8.150 nan 0.000 0.447 140 T N -0.354 114.140 114.554 -0.100 0.000 2.770 140 T HA -0.099 4.251 4.350 0.000 0.000 0.263 140 T C 2.091 176.741 174.700 -0.082 0.000 1.039 140 T CA 1.437 63.492 62.100 -0.075 0.000 1.142 140 T CB -0.195 68.639 68.868 -0.056 0.000 0.868 140 T HN 0.449 nan 8.240 nan 0.000 0.435 141 Q N 0.276 120.024 119.800 -0.087 0.000 2.137 141 Q HA 0.183 4.523 4.340 0.000 0.000 0.198 141 Q C 2.231 178.167 176.000 -0.106 0.000 0.960 141 Q CA 0.769 56.523 55.803 -0.083 0.000 0.847 141 Q CB -0.291 28.405 28.738 -0.070 0.000 0.915 141 Q HN 0.400 nan 8.270 nan 0.000 0.448 142 M N 0.299 119.826 119.600 -0.122 0.000 2.419 142 M HA -0.053 4.427 4.480 0.000 0.000 0.264 142 M C 1.946 178.152 176.300 -0.157 0.000 1.082 142 M CA 0.850 56.059 55.300 -0.151 0.000 1.119 142 M CB -0.485 32.036 32.600 -0.131 0.000 1.398 142 M HN 0.037 nan 8.290 nan 0.000 0.453 143 R N 1.010 121.434 120.500 -0.127 0.000 2.075 143 R HA -0.078 4.263 4.340 0.000 0.000 0.232 143 R C 1.852 178.090 176.300 -0.104 0.000 1.126 143 R CA 1.698 57.734 56.100 -0.107 0.000 0.963 143 R CB -0.288 29.960 30.300 -0.088 0.000 0.858 143 R HN 0.224 nan 8.270 nan 0.000 0.435 144 K N -0.294 120.045 120.400 -0.101 0.000 2.097 144 K HA -0.120 4.200 4.320 0.000 0.000 0.206 144 K C 1.811 178.335 176.600 -0.126 0.000 1.049 144 K CA 1.389 57.620 56.287 -0.093 0.000 0.933 144 K CB -0.291 32.164 32.500 -0.076 0.000 0.717 144 K HN 0.085 nan 8.250 nan 0.000 0.442 145 L N 0.409 121.522 121.223 -0.184 0.000 2.093 145 L HA -0.033 4.307 4.340 0.000 0.000 0.208 145 L C 0.600 177.249 176.870 -0.368 0.000 1.085 145 L CA 1.607 56.270 54.840 -0.295 0.000 0.755 145 L CB 0.082 41.897 42.059 -0.406 0.000 0.904 145 L HN 0.036 nan 8.230 nan 0.000 0.435 146 T N -2.395 111.985 114.554 -0.290 0.000 3.109 146 T HA 0.253 4.603 4.350 0.000 0.000 0.311 146 T C 0.844 175.495 174.700 -0.082 0.000 1.011 146 T CA 0.022 62.020 62.100 -0.170 0.000 1.026 146 T CB 1.042 69.834 68.868 -0.127 0.000 1.047 146 T HN 0.286 nan 8.240 nan 0.000 0.448 147 S N 3.824 119.494 115.700 -0.050 0.000 2.515 147 S HA 0.015 4.485 4.470 0.000 0.000 0.231 147 S C 0.979 175.569 174.600 -0.017 0.000 0.987 147 S CA 0.355 58.533 58.200 -0.036 0.000 0.936 147 S CB -0.188 62.992 63.200 -0.032 0.000 0.766 147 S HN 0.694 nan 8.310 nan 0.000 0.528 148 N N 1.710 120.413 118.700 0.006 0.000 2.378 148 N HA 0.271 5.011 4.740 0.000 0.000 0.243 148 N C -0.511 175.022 175.510 0.039 0.000 1.137 148 N CA -0.168 52.898 53.050 0.027 0.000 0.862 148 N CB 0.303 38.817 38.487 0.045 0.000 1.116 148 N HN 0.407 nan 8.380 nan 0.000 0.499 149 L N 1.086 122.314 121.223 0.008 0.000 2.380 149 L HA 0.248 4.588 4.340 0.000 0.000 0.273 149 L C 0.010 176.875 176.870 -0.009 0.000 1.138 149 L CA 0.102 54.941 54.840 -0.002 0.000 0.832 149 L CB 0.456 42.483 42.059 -0.055 0.000 1.124 149 L HN 0.006 nan 8.230 nan 0.000 0.454 150 R N 5.903 126.406 120.500 0.006 0.000 2.561 150 R HA 0.634 4.974 4.340 0.000 0.000 0.297 150 R C -1.295 174.980 176.300 -0.042 0.000 0.969 150 R CA -0.754 55.340 56.100 -0.009 0.000 0.879 150 R CB 2.079 32.396 30.300 0.028 0.000 1.178 150 R HN 0.717 nan 8.270 nan 0.000 0.445 151 I N 1.032 121.532 120.570 -0.116 0.000 2.647 151 I HA 0.737 4.907 4.170 0.000 0.000 0.295 151 I C -0.697 175.366 176.117 -0.090 0.000 1.078 151 I CA -0.355 60.803 61.300 -0.236 0.000 1.048 151 I CB 2.269 39.885 38.000 -0.641 0.000 1.239 151 I HN 0.766 nan 8.210 nan 0.000 0.421 152 G N 4.933 113.791 108.800 0.096 0.000 2.721 152 G HA2 0.711 4.671 3.960 0.000 0.000 0.296 152 G HA3 0.711 4.671 3.960 0.000 0.000 0.296 152 G C -1.778 173.358 174.900 0.393 0.000 1.383 152 G CA -0.565 44.769 45.100 0.390 0.000 0.788 152 G HN 0.742 nan 8.290 nan 0.000 0.500 153 F N -1.983 117.941 119.950 -0.043 0.000 2.741 153 F HA 0.882 5.409 4.527 0.000 0.000 0.313 153 F C -0.177 175.457 175.800 -0.277 0.000 1.153 153 F CA -0.558 57.201 58.000 -0.402 0.000 0.931 153 F CB 1.482 40.502 39.000 0.033 0.000 1.335 153 F HN 1.091 nan 8.300 nan 0.000 0.460 154 G N 0.002 108.754 108.800 -0.081 0.000 2.695 154 G HA2 0.844 4.804 3.960 0.000 0.000 0.290 154 G HA3 0.844 4.804 3.960 0.000 0.000 0.290 154 G C -2.263 172.875 174.900 0.396 0.000 1.410 154 G CA -0.568 44.656 45.100 0.207 0.000 0.844 154 G HN 1.281 nan 8.290 nan 0.000 0.478 155 A N -0.723 122.340 122.820 0.404 0.000 2.430 155 A HA 0.990 5.310 4.320 0.000 0.000 0.300 155 A C -1.078 176.951 177.584 0.741 0.000 1.124 155 A CA -0.755 51.547 52.037 0.442 0.000 0.766 155 A CB 1.410 20.637 19.000 0.378 0.000 1.328 155 A HN 1.888 nan 8.150 nan 0.000 0.424 156 F N -1.039 119.171 119.950 0.433 0.000 2.645 156 F HA 0.762 5.289 4.527 0.000 0.000 0.310 156 F C -0.526 175.247 175.800 -0.045 0.000 1.102 156 F CA -0.779 57.419 58.000 0.330 0.000 0.952 156 F CB 0.814 40.027 39.000 0.355 0.000 1.326 156 F HN 0.343 nan 8.300 nan 0.000 0.456 157 V N -0.615 119.256 119.914 -0.071 0.000 4.213 157 V HA 0.433 4.553 4.120 0.000 0.000 0.179 157 V C -0.888 175.323 176.094 0.195 0.000 1.148 157 V CA 0.629 62.853 62.300 -0.126 0.000 1.346 157 V CB 0.634 32.206 31.823 -0.418 0.000 1.703 157 V HN 0.900 nan 8.190 nan 0.000 0.525 158 D N -1.307 119.172 120.400 0.132 0.000 2.738 158 D HA 0.255 4.895 4.640 0.000 0.000 0.308 158 D C -1.470 174.932 176.300 0.170 0.000 1.311 158 D CA -0.619 53.493 54.000 0.186 0.000 0.799 158 D CB 1.485 42.351 40.800 0.110 0.000 1.332 158 D HN 0.076 nan 8.370 nan 0.000 0.441 159 K N 1.722 122.204 120.400 0.138 0.000 2.402 159 K HA 0.212 4.532 4.320 0.000 0.000 0.285 159 K C -1.929 174.804 176.600 0.222 0.000 1.054 159 K CA -1.037 55.344 56.287 0.158 0.000 1.001 159 K CB 0.469 33.023 32.500 0.090 0.000 0.946 159 K HN 0.111 nan 8.250 nan 0.000 0.473 160 P HA 0.005 nan 4.420 nan 0.000 0.241 160 P C -0.825 176.547 177.300 0.119 0.000 1.760 160 P CA 0.108 63.298 63.100 0.150 0.000 1.081 160 P CB 0.184 31.969 31.700 0.140 0.000 1.975 161 V N 1.312 121.310 119.914 0.140 0.000 2.969 161 V HA 0.361 4.481 4.120 0.000 0.000 0.304 161 V C -0.411 175.666 176.094 -0.028 0.000 1.192 161 V CA -0.772 61.560 62.300 0.053 0.000 0.962 161 V CB 2.373 34.221 31.823 0.042 0.000 1.045 161 V HN 0.282 nan 8.190 nan 0.000 0.428 162 S N 6.550 122.202 115.700 -0.079 0.000 2.549 162 S HA 0.342 4.812 4.470 0.000 0.000 0.286 162 S C -1.378 173.045 174.600 -0.295 0.000 1.314 162 S CA 0.050 58.159 58.200 -0.151 0.000 1.062 162 S CB 1.135 64.276 63.200 -0.099 0.000 0.865 162 S HN 0.833 nan 8.310 nan 0.000 0.498 163 P HA 0.115 nan 4.420 nan 0.000 0.261 163 P C 0.380 177.524 177.300 -0.260 0.000 1.268 163 P CA 0.315 63.234 63.100 -0.302 0.000 0.833 163 P CB -0.125 31.420 31.700 -0.258 0.000 1.231 164 Y N -0.292 119.971 120.300 -0.061 0.000 2.200 164 Y HA 0.029 4.579 4.550 0.000 0.000 0.290 164 Y C 1.888 177.711 175.900 -0.128 0.000 1.137 164 Y CA 0.070 58.141 58.100 -0.049 0.000 1.163 164 Y CB -0.336 38.147 38.460 0.037 0.000 0.988 164 Y HN -0.059 nan 8.280 nan 0.000 0.518 165 M N 0.236 119.855 119.600 0.031 0.000 2.233 165 M HA 0.236 4.716 4.480 0.000 0.000 0.355 165 M C -1.430 174.811 176.300 -0.097 0.000 1.191 165 M CA -0.657 54.645 55.300 0.003 0.000 1.101 165 M CB 0.662 33.305 32.600 0.073 0.000 1.592 165 M HN 0.036 nan 8.290 nan 0.000 0.461 166 Y N 5.224 125.554 120.300 0.050 0.000 2.402 166 Y HA 0.172 4.722 4.550 -0.000 0.000 0.333 166 Y C 0.961 176.872 175.900 0.018 0.000 1.076 166 Y CA -0.069 58.048 58.100 0.029 0.000 1.299 166 Y CB 0.161 38.638 38.460 0.027 0.000 1.197 166 Y HN 0.644 nan 8.280 nan 0.000 0.517 167 I N -0.440 120.211 120.570 0.135 0.000 3.936 167 I HA 0.422 4.592 4.170 0.000 0.000 0.330 167 I C -0.244 175.903 176.117 0.051 0.000 1.509 167 I CA -0.196 61.145 61.300 0.069 0.000 1.126 167 I CB 0.172 38.188 38.000 0.028 0.000 1.115 167 I HN 0.388 nan 8.210 nan 0.000 0.424 168 S N 0.470 116.215 115.700 0.075 0.000 2.547 168 S HA 0.673 5.143 4.470 0.000 0.000 0.270 168 S C -2.995 171.629 174.600 0.040 0.000 1.150 168 S CA -0.892 57.330 58.200 0.035 0.000 0.850 168 S CB 1.476 64.699 63.200 0.038 0.000 1.118 168 S HN 0.052 nan 8.310 nan 0.000 0.461 169 P HA 0.368 nan 4.420 nan 0.000 0.274 169 P C -2.100 175.118 177.300 -0.137 0.000 1.260 169 P CA -1.195 61.863 63.100 -0.070 0.000 0.793 169 P CB -0.642 31.005 31.700 -0.088 0.000 1.048 170 P HA -0.193 nan 4.420 nan 0.000 0.217 170 P C 1.195 178.390 177.300 -0.175 0.000 1.151 170 P CA 1.617 64.647 63.100 -0.116 0.000 0.849 170 P CB -0.082 31.563 31.700 -0.093 0.000 0.787 171 E N -0.447 119.555 120.200 -0.329 0.000 2.204 171 E HA -0.121 4.229 4.350 0.000 0.000 0.195 171 E C 2.053 178.454 176.600 -0.331 0.000 0.990 171 E CA 1.291 57.431 56.400 -0.432 0.000 0.821 171 E CB -1.003 28.152 29.700 -0.909 0.000 0.750 171 E HN 0.203 nan 8.360 nan 0.000 0.477 172 A N 0.240 122.891 122.820 -0.282 0.000 2.121 172 A HA -0.096 4.224 4.320 0.000 0.000 0.218 172 A C 1.959 179.541 177.584 -0.004 0.000 1.154 172 A CA 0.765 52.753 52.037 -0.082 0.000 0.679 172 A CB -0.434 18.557 19.000 -0.015 0.000 0.795 172 A HN 0.191 nan 8.150 nan 0.000 0.458 173 L N -0.910 120.301 121.223 -0.019 0.000 2.044 173 L HA -0.099 4.241 4.340 0.000 0.000 0.205 173 L C 2.479 179.367 176.870 0.029 0.000 1.075 173 L CA 1.161 56.013 54.840 0.020 0.000 0.747 173 L CB -0.408 41.655 42.059 0.006 0.000 0.903 173 L HN 0.294 nan 8.230 nan 0.000 0.435 174 E N -0.268 119.935 120.200 0.006 0.000 2.285 174 E HA -0.087 4.263 4.350 0.000 0.000 0.194 174 E C 0.281 176.904 176.600 0.039 0.000 0.997 174 E CA 0.515 56.928 56.400 0.021 0.000 0.845 174 E CB -0.083 29.619 29.700 0.004 0.000 0.782 174 E HN 0.232 nan 8.360 nan 0.000 0.491 175 N N 0.096 118.816 118.700 0.033 0.000 2.727 175 N HA 0.143 4.883 4.740 0.000 0.000 0.252 175 N C -2.386 173.158 175.510 0.058 0.000 1.283 175 N CA -2.015 51.072 53.050 0.061 0.000 0.782 175 N CB 1.247 39.789 38.487 0.092 0.000 1.199 175 N HN -0.295 nan 8.380 nan 0.000 0.520 176 P HA -0.090 nan 4.420 nan 0.000 0.218 176 P C 0.446 177.679 177.300 -0.111 0.000 1.146 176 P CA 1.082 64.190 63.100 0.013 0.000 0.820 176 P CB 0.194 31.940 31.700 0.077 0.000 0.778 177 c N -3.059 115.492 118.600 -0.081 0.000 2.578 177 c HA 0.106 4.676 4.570 0.000 0.000 0.285 177 c C 2.188 176.229 174.090 -0.081 0.000 1.297 177 c CA -0.618 55.617 56.329 -0.157 0.000 1.690 177 c CB -2.610 39.825 42.510 -0.125 0.000 1.773 177 c HN 0.247 nan 8.230 nan 0.000 0.594 178 Y N 3.647 123.862 120.300 -0.142 0.000 2.114 178 Y HA -0.258 4.292 4.550 0.000 0.000 0.282 178 Y C 2.060 177.893 175.900 -0.113 0.000 1.165 178 Y CA 2.526 60.566 58.100 -0.102 0.000 1.148 178 Y CB -0.270 38.143 38.460 -0.079 0.000 0.972 178 Y HN 0.520 nan 8.280 nan 0.000 0.504 179 D N -0.779 119.544 120.400 -0.127 0.000 2.378 179 D HA -0.169 4.471 4.640 0.000 0.000 0.222 179 D C 1.259 177.435 176.300 -0.207 0.000 0.980 179 D CA 1.270 55.154 54.000 -0.193 0.000 0.907 179 D CB -0.668 40.061 40.800 -0.119 0.000 0.899 179 D HN 0.485 nan 8.370 nan 0.000 0.527 180 M N -0.422 119.054 119.600 -0.207 0.000 2.383 180 M HA 0.208 4.688 4.480 0.000 0.000 0.247 180 M C 0.022 176.235 176.300 -0.144 0.000 1.117 180 M CA -0.147 55.056 55.300 -0.162 0.000 0.995 180 M CB 0.106 32.605 32.600 -0.168 0.000 1.480 180 M HN -0.165 nan 8.290 nan 0.000 0.485 181 K N 1.332 121.611 120.400 -0.202 0.000 3.069 181 K HA -0.172 4.148 4.320 0.000 0.000 0.267 181 K C 0.146 176.686 176.600 -0.100 0.000 1.082 181 K CA 1.120 57.299 56.287 -0.180 0.000 0.782 181 K CB -2.327 30.087 32.500 -0.144 0.000 1.230 181 K HN 0.648 nan 8.250 nan 0.000 0.488 182 T N -4.016 110.491 114.554 -0.079 0.000 2.742 182 T HA 0.577 4.927 4.350 0.000 0.000 0.282 182 T C -0.287 174.413 174.700 -0.000 0.000 1.025 182 T CA -0.701 61.386 62.100 -0.022 0.000 1.020 182 T CB 2.567 71.440 68.868 0.009 0.000 1.317 182 T HN -0.041 nan 8.240 nan 0.000 0.538 183 T N 0.964 115.538 114.554 0.033 0.000 2.848 183 T HA 0.691 5.041 4.350 0.000 0.000 0.285 183 T C -0.164 174.581 174.700 0.075 0.000 0.995 183 T CA -0.661 61.470 62.100 0.051 0.000 0.970 183 T CB 0.297 69.195 68.868 0.050 0.000 0.976 183 T HN 1.170 nan 8.240 nan 0.000 0.441 184 c N 2.027 120.675 118.600 0.079 0.000 3.213 184 c HA 0.835 5.405 4.570 0.000 0.000 0.319 184 c C -0.159 173.993 174.090 0.103 0.000 1.386 184 c CA -1.428 54.967 56.329 0.110 0.000 1.494 184 c CB -0.207 42.395 42.510 0.154 0.000 1.905 184 c HN 0.855 nan 8.230 nan 0.000 0.456 185 L N 1.708 123.008 121.223 0.128 0.000 2.464 185 L HA 0.386 4.726 4.340 0.000 0.000 0.264 185 L C -2.013 174.952 176.870 0.159 0.000 1.199 185 L CA -1.224 53.699 54.840 0.138 0.000 0.818 185 L CB 0.297 42.461 42.059 0.175 0.000 1.102 185 L HN 0.463 nan 8.230 nan 0.000 0.473 186 P HA -0.036 nan 4.420 nan 0.000 0.267 186 P C -0.410 177.047 177.300 0.262 0.000 1.200 186 P CA 0.074 63.275 63.100 0.168 0.000 0.772 186 P CB 0.444 32.223 31.700 0.133 0.000 0.855 187 M N 4.225 123.939 119.600 0.191 0.000 2.240 187 M HA 0.413 4.893 4.480 0.000 0.000 0.333 187 M C -0.754 175.690 176.300 0.240 0.000 1.110 187 M CA 0.467 55.842 55.300 0.126 0.000 1.173 187 M CB -0.128 32.532 32.600 0.099 0.000 1.458 187 M HN 0.338 nan 8.290 nan 0.000 0.458 188 F N 0.926 120.962 119.950 0.142 0.000 2.693 188 F HA 0.682 5.209 4.527 0.000 0.000 0.309 188 F C 0.141 176.088 175.800 0.245 0.000 1.129 188 F CA -0.653 57.445 58.000 0.163 0.000 0.948 188 F CB 0.329 39.407 39.000 0.132 0.000 1.315 188 F HN 0.561 nan 8.300 nan 0.000 0.447 189 G N 0.348 109.428 108.800 0.468 0.000 2.605 189 G HA2 0.116 4.076 3.960 0.000 0.000 0.215 189 G HA3 0.116 4.076 3.960 0.000 0.000 0.215 189 G C -1.140 174.166 174.900 0.677 0.000 1.279 189 G CA 1.294 46.682 45.100 0.480 0.000 0.831 189 G HN 0.893 nan 8.290 nan 0.000 0.560 190 Y N 0.320 120.998 120.300 0.629 0.000 2.433 190 Y HA 0.651 5.201 4.550 0.000 0.000 0.337 190 Y C -1.109 175.097 175.900 0.509 0.000 1.026 190 Y CA -1.499 56.957 58.100 0.594 0.000 1.037 190 Y CB 1.487 40.194 38.460 0.412 0.000 1.245 190 Y HN 0.016 nan 8.280 nan 0.000 0.443 191 K N 4.848 125.166 120.400 -0.136 0.000 2.394 191 K HA 0.201 4.521 4.320 0.000 0.000 0.260 191 K C -1.402 174.840 176.600 -0.596 0.000 0.967 191 K CA -1.030 55.010 56.287 -0.411 0.000 0.855 191 K CB 0.865 33.116 32.500 -0.414 0.000 1.101 191 K HN 0.734 nan 8.250 nan 0.000 0.433 192 H N 2.376 121.023 119.070 -0.705 0.000 2.848 192 H HA 0.081 4.637 4.556 0.000 0.000 0.317 192 H C 0.234 175.410 175.328 -0.253 0.000 1.046 192 H CA 0.173 56.051 56.048 -0.284 0.000 1.470 192 H CB 0.599 30.286 29.762 -0.124 0.000 1.483 192 H HN 0.346 nan 8.280 nan 0.000 0.548 193 V N 4.463 123.918 119.914 -0.765 0.000 2.948 193 V HA 0.141 4.261 4.120 0.000 0.000 0.234 193 V C -0.266 175.308 176.094 -0.867 0.000 1.205 193 V CA 0.023 61.836 62.300 -0.812 0.000 1.234 193 V CB 0.122 31.362 31.823 -0.972 0.000 1.020 193 V HN 0.514 nan 8.190 nan 0.000 0.491 194 L N 0.952 121.615 121.223 -0.935 0.000 2.404 194 L HA 0.593 4.933 4.340 0.000 0.000 0.272 194 L C -0.071 176.745 176.870 -0.090 0.000 0.980 194 L CA 0.131 54.705 54.840 -0.443 0.000 0.836 194 L CB 1.498 43.419 42.059 -0.229 0.000 1.238 194 L HN 0.127 nan 8.230 nan 0.000 0.408 195 T N 4.809 119.391 114.554 0.048 0.000 2.932 195 T HA 0.245 4.595 4.350 0.000 0.000 0.312 195 T C 0.547 175.344 174.700 0.161 0.000 1.071 195 T CA -0.229 62.032 62.100 0.268 0.000 1.128 195 T CB 0.208 69.194 68.868 0.197 0.000 0.984 195 T HN 0.456 nan 8.240 nan 0.000 0.549 196 L N 2.785 124.069 121.223 0.101 0.000 2.700 196 L HA 0.126 4.466 4.340 0.000 0.000 0.276 196 L C 0.984 177.879 176.870 0.042 0.000 1.200 196 L CA 0.422 55.288 54.840 0.044 0.000 0.951 196 L CB -0.209 41.810 42.059 -0.067 0.000 1.226 196 L HN 0.674 nan 8.230 nan 0.000 0.489 197 T N 0.376 114.959 114.554 0.048 0.000 2.903 197 T HA 0.250 4.600 4.350 0.000 0.000 0.299 197 T C 0.310 175.018 174.700 0.013 0.000 1.093 197 T CA -0.724 61.401 62.100 0.042 0.000 1.002 197 T CB 1.440 70.352 68.868 0.072 0.000 1.127 197 T HN 0.693 nan 8.240 nan 0.000 0.488 198 D N 1.839 122.246 120.400 0.012 0.000 2.339 198 D HA 0.012 4.652 4.640 0.000 0.000 0.217 198 D C 0.361 176.664 176.300 0.004 0.000 1.050 198 D CA 0.155 54.152 54.000 -0.004 0.000 0.856 198 D CB 0.004 40.804 40.800 -0.000 0.000 0.922 198 D HN 0.566 nan 8.370 nan 0.000 0.518 199 Q N 0.939 120.756 119.800 0.028 0.000 2.513 199 Q HA 0.177 4.517 4.340 0.000 0.000 0.227 199 Q C 0.934 176.977 176.000 0.072 0.000 1.257 199 Q CA -0.319 55.510 55.803 0.044 0.000 0.915 199 Q CB 1.447 30.217 28.738 0.053 0.000 1.507 199 Q HN 0.031 nan 8.270 nan 0.000 0.543 200 V N 1.465 121.403 119.914 0.041 0.000 2.358 200 V HA -0.238 3.882 4.120 0.000 0.000 0.246 200 V C 1.907 178.066 176.094 0.109 0.000 1.047 200 V CA 2.120 64.452 62.300 0.053 0.000 1.035 200 V CB -0.196 31.619 31.823 -0.014 0.000 0.658 200 V HN 0.732 nan 8.190 nan 0.000 0.452 201 T N -0.293 114.298 114.554 0.062 0.000 2.788 201 T HA -0.241 4.109 4.350 0.000 0.000 0.268 201 T C 2.023 176.758 174.700 0.059 0.000 1.044 201 T CA 1.787 63.916 62.100 0.048 0.000 1.139 201 T CB -0.250 68.632 68.868 0.024 0.000 0.867 201 T HN 0.412 nan 8.240 nan 0.000 0.454 202 R N -0.035 120.511 120.500 0.077 0.000 2.075 202 R HA -0.057 4.283 4.340 0.000 0.000 0.232 202 R C 2.263 178.629 176.300 0.110 0.000 1.126 202 R CA 1.249 57.394 56.100 0.076 0.000 0.963 202 R CB -0.504 29.841 30.300 0.076 0.000 0.858 202 R HN 0.429 nan 8.270 nan 0.000 0.435 203 F N 2.154 122.120 119.950 0.026 0.000 2.126 203 F HA -0.245 4.282 4.527 0.000 0.000 0.299 203 F C 1.721 177.497 175.800 -0.040 0.000 1.096 203 F CA 1.858 59.886 58.000 0.048 0.000 1.255 203 F CB -0.283 38.735 39.000 0.030 0.000 0.997 203 F HN 0.098 nan 8.300 nan 0.000 0.479 204 N N 0.690 119.419 118.700 0.049 0.000 2.188 204 N HA -0.152 4.588 4.740 0.000 0.000 0.184 204 N C 1.742 177.143 175.510 -0.181 0.000 1.018 204 N CA 1.588 54.573 53.050 -0.108 0.000 0.858 204 N CB -0.470 38.018 38.487 0.002 0.000 0.989 204 N HN 0.527 nan 8.380 nan 0.000 0.426 205 E N 0.777 120.918 120.200 -0.099 0.000 2.031 205 E HA -0.129 4.221 4.350 0.000 0.000 0.193 205 E C 1.611 178.142 176.600 -0.114 0.000 0.994 205 E CA 0.829 57.178 56.400 -0.084 0.000 0.800 205 E CB 0.054 29.734 29.700 -0.034 0.000 0.752 205 E HN 0.285 nan 8.360 nan 0.000 0.447 206 E N 0.418 120.555 120.200 -0.104 0.000 2.106 206 E HA -0.132 4.218 4.350 0.000 0.000 0.192 206 E C 2.303 178.786 176.600 -0.195 0.000 0.984 206 E CA 0.591 56.964 56.400 -0.045 0.000 0.806 206 E CB -0.174 29.606 29.700 0.133 0.000 0.750 206 E HN 0.120 nan 8.360 nan 0.000 0.458 207 V N 1.495 121.072 119.914 -0.563 0.000 2.407 207 V HA -0.243 3.877 4.120 0.000 0.000 0.248 207 V C 2.164 178.010 176.094 -0.412 0.000 1.055 207 V CA 1.737 63.547 62.300 -0.815 0.000 1.049 207 V CB -0.342 30.861 31.823 -1.032 0.000 0.662 207 V HN 0.206 nan 8.190 nan 0.000 0.455 208 K N -0.312 119.915 120.400 -0.289 0.000 2.365 208 K HA -0.070 4.250 4.320 0.000 0.000 0.199 208 K C 2.034 178.565 176.600 -0.115 0.000 1.045 208 K CA 0.694 56.871 56.287 -0.185 0.000 0.962 208 K CB -0.078 32.334 32.500 -0.146 0.000 0.759 208 K HN 0.428 nan 8.250 nan 0.000 0.469 209 K N 0.515 120.855 120.400 -0.099 0.000 2.366 209 K HA -0.008 4.312 4.320 0.000 0.000 0.198 209 K C 0.348 176.930 176.600 -0.031 0.000 1.044 209 K CA 0.428 56.686 56.287 -0.048 0.000 0.973 209 K CB 0.229 32.713 32.500 -0.027 0.000 0.767 209 K HN 0.077 nan 8.250 nan 0.000 0.475 210 Q N 1.288 121.059 119.800 -0.049 0.000 2.364 210 Q HA 0.043 4.383 4.340 0.000 0.000 0.267 210 Q C 0.194 176.191 176.000 -0.005 0.000 0.999 210 Q CA 0.323 56.119 55.803 -0.011 0.000 0.886 210 Q CB 1.403 30.124 28.738 -0.029 0.000 1.243 210 Q HN 0.180 nan 8.270 nan 0.000 0.415 211 S N -0.483 115.235 115.700 0.030 0.000 2.667 211 S HA 0.719 5.189 4.470 0.000 0.000 0.292 211 S C -0.114 174.526 174.600 0.068 0.000 1.126 211 S CA -0.771 57.451 58.200 0.037 0.000 0.881 211 S CB 1.188 64.416 63.200 0.045 0.000 1.132 211 S HN 0.432 nan 8.310 nan 0.000 0.492 212 V N -0.505 119.446 119.914 0.063 0.000 3.036 212 V HA 0.812 4.932 4.120 0.000 0.000 0.308 212 V C 0.498 176.684 176.094 0.153 0.000 1.070 212 V CA -0.207 62.142 62.300 0.080 0.000 1.056 212 V CB 0.970 32.809 31.823 0.028 0.000 1.084 212 V HN 1.053 nan 8.190 nan 0.000 0.471 213 S N 1.139 116.929 115.700 0.150 0.000 2.702 213 S HA 0.733 5.203 4.470 0.000 0.000 0.272 213 S C -0.299 174.421 174.600 0.200 0.000 1.068 213 S CA -0.918 57.378 58.200 0.160 0.000 0.964 213 S CB 1.284 64.544 63.200 0.100 0.000 1.307 213 S HN 1.080 nan 8.310 nan 0.000 0.567 214 R N 0.539 121.126 120.500 0.145 0.000 2.579 214 R HA 0.363 4.703 4.340 0.000 0.000 0.260 214 R C -1.806 174.619 176.300 0.208 0.000 1.103 214 R CA -0.327 55.873 56.100 0.167 0.000 0.942 214 R CB 0.971 31.275 30.300 0.008 0.000 1.251 214 R HN 0.998 nan 8.270 nan 0.000 0.450 215 N N 0.521 119.362 118.700 0.235 0.000 2.902 215 N HA 0.325 5.065 4.740 0.000 0.000 0.268 215 N C -0.044 175.566 175.510 0.167 0.000 1.450 215 N CA -1.049 52.121 53.050 0.200 0.000 0.819 215 N CB 1.799 40.360 38.487 0.123 0.000 1.540 215 N HN 0.496 nan 8.380 nan 0.000 0.545 216 R N -0.726 119.716 120.500 -0.096 0.000 2.112 216 R HA 0.021 4.361 4.340 0.000 0.000 0.216 216 R C -0.649 175.672 176.300 0.035 0.000 1.080 216 R CA 0.879 56.869 56.100 -0.183 0.000 0.996 216 R CB -0.147 29.840 30.300 -0.523 0.000 0.902 216 R HN 0.819 nan 8.270 nan 0.000 0.449 217 D N -0.871 119.589 120.400 0.099 0.000 2.256 217 D HA 0.176 4.816 4.640 0.000 0.000 0.246 217 D C 0.387 176.735 176.300 0.080 0.000 1.042 217 D CA -0.129 53.945 54.000 0.123 0.000 0.841 217 D CB 1.856 42.793 40.800 0.228 0.000 1.223 217 D HN 0.067 nan 8.370 nan 0.000 0.470 218 A N 2.804 125.647 122.820 0.040 0.000 1.892 218 A HA 0.003 4.323 4.320 0.000 0.000 0.218 218 A C -1.402 176.144 177.584 -0.064 0.000 1.188 218 A CA 0.906 52.947 52.037 0.007 0.000 0.631 218 A CB -1.740 17.262 19.000 0.003 0.000 0.822 218 A HN 0.583 nan 8.150 nan 0.000 0.447 219 P HA 0.272 nan 4.420 nan 0.000 0.271 219 P C -0.229 176.797 177.300 -0.457 0.000 1.216 219 P CA 0.170 62.998 63.100 -0.453 0.000 0.771 219 P CB 0.747 31.931 31.700 -0.859 0.000 0.864 220 E N 1.205 121.263 120.200 -0.237 0.000 2.281 220 E HA 0.430 4.780 4.350 0.000 0.000 0.257 220 E C 0.916 177.553 176.600 0.061 0.000 0.971 220 E CA -0.899 55.528 56.400 0.045 0.000 0.839 220 E CB 0.802 30.663 29.700 0.267 0.000 1.238 220 E HN 0.438 nan 8.360 nan 0.000 0.412 221 G N -0.224 108.726 108.800 0.250 0.000 3.591 221 G HA2 0.185 4.145 3.960 0.000 0.000 0.282 221 G HA3 0.185 4.145 3.960 0.000 0.000 0.282 221 G C 0.945 175.871 174.900 0.043 0.000 1.238 221 G CA 0.214 45.482 45.100 0.279 0.000 0.993 221 G HN 0.460 nan 8.290 nan 0.000 0.542 222 G N 0.556 109.186 108.800 -0.283 0.000 2.470 222 G HA2 -0.162 3.798 3.960 0.000 0.000 0.220 222 G HA3 -0.162 3.798 3.960 0.000 0.000 0.220 222 G C 1.323 176.162 174.900 -0.102 0.000 1.121 222 G CA 0.391 44.965 45.100 -0.876 0.000 0.766 222 G HN 0.347 nan 8.290 nan 0.000 0.553 223 F N 1.526 121.347 119.950 -0.215 0.000 2.234 223 F HA 0.060 4.587 4.527 0.000 0.000 0.299 223 F C 2.199 177.912 175.800 -0.144 0.000 1.087 223 F CA 0.155 58.039 58.000 -0.192 0.000 1.340 223 F CB -0.446 38.470 39.000 -0.139 0.000 1.031 223 F HN 0.098 nan 8.300 nan 0.000 0.500 224 D N 0.131 120.607 120.400 0.127 0.000 2.123 224 D HA -0.155 4.485 4.640 0.000 0.000 0.196 224 D C 2.390 178.505 176.300 -0.307 0.000 0.992 224 D CA 1.518 55.481 54.000 -0.062 0.000 0.833 224 D CB -0.452 40.407 40.800 0.099 0.000 0.954 224 D HN 0.193 nan 8.370 nan 0.000 0.455 225 A N 0.544 123.199 122.820 -0.276 0.000 1.902 225 A HA -0.125 4.195 4.320 0.000 0.000 0.217 225 A C 2.400 179.726 177.584 -0.431 0.000 1.181 225 A CA 0.840 52.538 52.037 -0.564 0.000 0.623 225 A CB -0.679 18.172 19.000 -0.249 0.000 0.818 225 A HN 0.211 nan 8.150 nan 0.000 0.443 226 I N -1.321 119.123 120.570 -0.211 0.000 2.226 226 I HA -0.276 3.894 4.170 0.000 0.000 0.245 226 I C 2.644 178.628 176.117 -0.221 0.000 1.100 226 I CA 1.838 63.032 61.300 -0.177 0.000 1.374 226 I CB -0.230 37.603 38.000 -0.279 0.000 1.057 226 I HN 0.430 nan 8.210 nan 0.000 0.413 227 M N 0.489 119.939 119.600 -0.250 0.000 2.077 227 M HA -0.200 4.280 4.480 0.000 0.000 0.261 227 M C 2.234 178.395 176.300 -0.231 0.000 1.070 227 M CA 1.871 57.036 55.300 -0.224 0.000 1.125 227 M CB -0.476 32.009 32.600 -0.193 0.000 1.339 227 M HN 0.055 nan 8.290 nan 0.000 0.409 228 Q N -0.085 119.517 119.800 -0.329 0.000 2.119 228 Q HA 0.043 4.383 4.340 0.000 0.000 0.201 228 Q C 2.218 178.105 176.000 -0.189 0.000 0.972 228 Q CA 1.729 57.374 55.803 -0.262 0.000 0.847 228 Q CB -0.981 27.585 28.738 -0.288 0.000 0.903 228 Q HN 0.684 nan 8.270 nan 0.000 0.433 229 A N 0.404 123.067 122.820 -0.262 0.000 2.019 229 A HA -0.133 4.187 4.320 0.000 0.000 0.219 229 A C 2.200 179.814 177.584 0.049 0.000 1.164 229 A CA 1.835 53.788 52.037 -0.140 0.000 0.644 229 A CB -0.464 18.522 19.000 -0.022 0.000 0.805 229 A HN 0.359 nan 8.150 nan 0.000 0.449 230 T N -0.694 113.834 114.554 -0.044 0.000 2.852 230 T HA -0.015 4.335 4.350 0.000 0.000 0.256 230 T C 1.824 176.466 174.700 -0.095 0.000 1.038 230 T CA 1.631 63.671 62.100 -0.100 0.000 1.141 230 T CB -0.344 68.416 68.868 -0.180 0.000 0.869 230 T HN 0.608 nan 8.240 nan 0.000 0.439 231 V N -1.279 118.576 119.914 -0.097 0.000 3.608 231 V HA 0.274 4.394 4.120 0.000 0.000 0.269 231 V C 0.886 176.937 176.094 -0.071 0.000 1.245 231 V CA -0.353 61.890 62.300 -0.096 0.000 1.138 231 V CB -1.130 30.627 31.823 -0.110 0.000 0.841 231 V HN 0.343 nan 8.190 nan 0.000 0.451 232 c N 2.695 121.263 118.600 -0.054 0.000 2.298 232 c HA 0.367 4.937 4.570 0.000 0.000 0.451 232 c C 1.504 175.566 174.090 -0.047 0.000 1.028 232 c CA -0.512 55.778 56.329 -0.064 0.000 1.324 232 c CB -1.530 40.932 42.510 -0.080 0.000 1.534 232 c HN 0.551 nan 8.230 nan 0.000 0.528 233 D N 1.167 121.560 120.400 -0.011 0.000 2.108 233 D HA -0.182 4.458 4.640 0.000 0.000 0.190 233 D C 1.984 178.274 176.300 -0.016 0.000 0.995 233 D CA 1.482 55.506 54.000 0.041 0.000 0.834 233 D CB -0.068 40.739 40.800 0.012 0.000 0.967 233 D HN 0.698 nan 8.370 nan 0.000 0.446 234 E N -0.012 120.162 120.200 -0.043 0.000 2.150 234 E HA -0.148 4.202 4.350 0.000 0.000 0.193 234 E C 1.769 178.308 176.600 -0.102 0.000 0.985 234 E CA 0.713 57.081 56.400 -0.053 0.000 0.814 234 E CB 0.274 29.954 29.700 -0.033 0.000 0.752 234 E HN 0.004 nan 8.360 nan 0.000 0.466 235 K N 0.593 120.901 120.400 -0.153 0.000 2.001 235 K HA -0.121 4.199 4.320 0.000 0.000 0.208 235 K C 2.104 178.424 176.600 -0.467 0.000 1.048 235 K CA 0.838 56.970 56.287 -0.257 0.000 0.932 235 K CB -0.311 32.015 32.500 -0.290 0.000 0.715 235 K HN 0.240 nan 8.250 nan 0.000 0.437 236 I N -0.182 120.056 120.570 -0.553 0.000 2.252 236 I HA -0.080 4.090 4.170 0.000 0.000 0.245 236 I C 1.396 177.189 176.117 -0.540 0.000 1.102 236 I CA 1.491 62.350 61.300 -0.735 0.000 1.385 236 I CB -1.349 36.034 38.000 -1.028 0.000 1.064 236 I HN 0.458 nan 8.210 nan 0.000 0.414 237 G N 0.120 108.683 108.800 -0.395 0.000 2.140 237 G HA2 -0.231 3.729 3.960 0.000 0.000 0.211 237 G HA3 -0.231 3.729 3.960 0.000 0.000 0.211 237 G C -0.301 174.514 174.900 -0.141 0.000 1.013 237 G CA -0.364 44.617 45.100 -0.198 0.000 0.705 237 G HN 0.278 nan 8.290 nan 0.000 0.508 238 W N 0.599 121.844 121.300 -0.091 0.000 2.257 238 W HA 0.528 5.188 4.660 -0.000 0.000 0.337 238 W C 1.268 177.786 176.519 -0.001 0.000 1.321 238 W CA -0.439 56.848 57.345 -0.096 0.000 1.267 238 W CB 0.416 29.638 29.460 -0.397 0.000 1.187 238 W HN 0.182 nan 8.180 nan 0.000 0.565 239 R N 2.279 123.009 120.500 0.383 0.000 2.500 239 R HA 0.137 4.477 4.340 0.000 0.000 0.275 239 R C 1.076 177.579 176.300 0.338 0.000 1.051 239 R CA -0.898 55.368 56.100 0.276 0.000 1.088 239 R CB 0.619 31.040 30.300 0.201 0.000 1.063 239 R HN 0.474 nan 8.270 nan 0.000 0.511 240 N N 0.926 119.736 118.700 0.184 0.000 2.039 240 N HA -0.152 4.588 4.740 0.000 0.000 0.193 240 N C 0.217 175.786 175.510 0.098 0.000 1.044 240 N CA 1.386 54.520 53.050 0.140 0.000 0.847 240 N CB -0.040 38.492 38.487 0.075 0.000 1.030 240 N HN 0.528 nan 8.380 nan 0.000 0.422 241 D N 0.822 121.252 120.400 0.051 0.000 2.943 241 D HA 0.446 5.086 4.640 0.000 0.000 0.249 241 D C -1.152 175.128 176.300 -0.035 0.000 1.231 241 D CA -0.033 53.962 54.000 -0.009 0.000 0.979 241 D CB -0.269 40.529 40.800 -0.003 0.000 1.053 241 D HN 0.182 nan 8.370 nan 0.000 0.504 242 A N 0.249 123.010 122.820 -0.099 0.000 2.572 242 A HA 0.512 4.832 4.320 0.000 0.000 0.295 242 A C -0.372 176.951 177.584 -0.434 0.000 1.072 242 A CA -0.641 51.317 52.037 -0.133 0.000 0.691 242 A CB 1.713 20.739 19.000 0.044 0.000 1.291 242 A HN 0.093 nan 8.150 nan 0.000 0.404 243 S N 0.106 115.655 115.700 -0.251 0.000 2.528 243 S HA 0.379 4.849 4.470 0.000 0.000 0.277 243 S C -0.566 173.938 174.600 -0.160 0.000 1.297 243 S CA 0.020 58.066 58.200 -0.258 0.000 1.052 243 S CB -0.282 62.865 63.200 -0.089 0.000 0.917 243 S HN 0.605 nan 8.310 nan 0.000 0.492 244 H N 3.759 122.837 119.070 0.014 0.000 2.595 244 H HA 0.470 5.026 4.556 0.000 0.000 0.313 244 H C -0.688 174.640 175.328 -0.001 0.000 1.023 244 H CA -0.646 55.404 56.048 0.004 0.000 1.218 244 H CB 0.759 30.283 29.762 -0.397 0.000 1.403 244 H HN 0.341 nan 8.280 nan 0.000 0.477 245 L N 4.179 125.595 121.223 0.322 0.000 2.325 245 L HA 0.291 4.631 4.340 0.000 0.000 0.281 245 L C -1.012 176.092 176.870 0.391 0.000 1.004 245 L CA -0.937 54.049 54.840 0.243 0.000 0.823 245 L CB 1.736 43.915 42.059 0.200 0.000 1.236 245 L HN 0.371 nan 8.230 nan 0.000 0.415 246 L N 5.286 126.679 121.223 0.283 0.000 2.277 246 L HA 0.484 4.824 4.340 0.000 0.000 0.284 246 L C -0.594 176.439 176.870 0.272 0.000 1.028 246 L CA -0.259 54.808 54.840 0.379 0.000 0.835 246 L CB 1.494 43.719 42.059 0.276 0.000 1.215 246 L HN 0.257 nan 8.230 nan 0.000 0.425 247 V N 6.097 126.221 119.914 0.349 0.000 2.364 247 V HA 0.329 4.449 4.120 0.000 0.000 0.272 247 V C -0.383 175.907 176.094 0.326 0.000 1.036 247 V CA -0.373 62.124 62.300 0.329 0.000 0.880 247 V CB 0.905 32.971 31.823 0.404 0.000 0.991 247 V HN 0.622 nan 8.190 nan 0.000 0.460 248 F N 5.181 125.207 119.950 0.127 0.000 2.426 248 F HA 0.659 5.186 4.527 -0.000 0.000 0.348 248 F C 0.470 176.344 175.800 0.125 0.000 1.124 248 F CA -0.279 57.803 58.000 0.135 0.000 1.008 248 F CB 1.610 40.709 39.000 0.166 0.000 1.139 248 F HN 0.576 nan 8.300 nan 0.000 0.452 249 T N 2.325 116.583 114.554 -0.493 0.000 2.895 249 T HA 0.753 5.103 4.350 0.000 0.000 0.283 249 T C -0.407 173.989 174.700 -0.508 0.000 1.014 249 T CA -0.525 61.352 62.100 -0.372 0.000 1.037 249 T CB 1.777 70.454 68.868 -0.318 0.000 1.006 249 T HN 0.831 nan 8.240 nan 0.000 0.468 250 T N 0.459 114.867 114.554 -0.243 0.000 2.770 250 T HA 0.364 4.714 4.350 0.000 0.000 0.323 250 T C -1.362 173.323 174.700 -0.025 0.000 1.683 250 T CA -0.290 61.740 62.100 -0.117 0.000 1.024 250 T CB 1.517 70.412 68.868 0.045 0.000 1.557 250 T HN 0.827 nan 8.240 nan 0.000 0.494 251 D N 0.557 120.967 120.400 0.018 0.000 2.479 251 D HA 0.539 5.179 4.640 0.000 0.000 0.218 251 D C 0.234 176.589 176.300 0.090 0.000 1.177 251 D CA -0.019 54.010 54.000 0.047 0.000 0.830 251 D CB 0.494 41.304 40.800 0.017 0.000 1.014 251 D HN 0.697 nan 8.370 nan 0.000 0.503 252 A N 0.050 122.954 122.820 0.140 0.000 2.564 252 A HA 0.561 4.881 4.320 0.000 0.000 0.288 252 A C -0.313 177.392 177.584 0.201 0.000 1.164 252 A CA -0.909 51.206 52.037 0.130 0.000 0.712 252 A CB 1.407 20.449 19.000 0.070 0.000 1.303 252 A HN -0.033 nan 8.150 nan 0.000 0.418 253 K N -0.292 120.144 120.400 0.061 0.000 2.274 253 K HA 0.341 4.661 4.320 0.000 0.000 0.255 253 K C -0.051 176.501 176.600 -0.080 0.000 1.005 253 K CA 0.580 56.841 56.287 -0.043 0.000 0.864 253 K CB 0.190 32.611 32.500 -0.131 0.000 1.013 253 K HN 0.618 nan 8.250 nan 0.000 0.519 254 T N 0.076 114.471 114.554 -0.264 0.000 2.900 254 T HA 0.183 4.533 4.350 0.000 0.000 0.295 254 T C -0.915 173.380 174.700 -0.676 0.000 1.044 254 T CA -0.833 60.974 62.100 -0.489 0.000 0.995 254 T CB 0.666 69.060 68.868 -0.791 0.000 1.072 254 T HN 0.384 nan 8.240 nan 0.000 0.473 255 H N 2.871 121.536 119.070 -0.676 0.000 2.690 255 H HA 0.533 5.089 4.556 0.000 0.000 0.365 255 H C 0.437 175.277 175.328 -0.813 0.000 1.142 255 H CA 0.137 55.667 56.048 -0.863 0.000 1.417 255 H CB 0.678 29.467 29.762 -1.621 0.000 1.446 255 H HN 0.657 nan 8.280 nan 0.000 0.599 256 I N -1.582 118.776 120.570 -0.353 0.000 3.174 256 I HA 0.636 4.806 4.170 0.000 0.000 0.313 256 I C -0.135 176.029 176.117 0.079 0.000 1.155 256 I CA -1.613 59.627 61.300 -0.099 0.000 0.977 256 I CB 1.666 39.619 38.000 -0.079 0.000 1.248 256 I HN 0.479 nan 8.210 nan 0.000 0.453 257 A N 3.082 125.993 122.820 0.152 0.000 2.565 257 A HA 0.420 4.740 4.320 0.000 0.000 0.237 257 A C 0.831 178.496 177.584 0.135 0.000 1.053 257 A CA 0.497 52.637 52.037 0.171 0.000 0.755 257 A CB -0.376 18.697 19.000 0.122 0.000 0.980 257 A HN 1.146 nan 8.150 nan 0.000 0.506 258 L N -0.110 121.201 121.223 0.146 0.000 4.383 258 L HA -0.260 4.080 4.340 0.000 0.000 0.402 258 L C 0.847 177.797 176.870 0.133 0.000 0.803 258 L CA 0.961 55.869 54.840 0.114 0.000 2.175 258 L CB -1.591 40.515 42.059 0.079 0.000 1.434 258 L HN 0.715 nan 8.230 nan 0.000 0.591 259 D N 0.705 121.213 120.400 0.181 0.000 2.149 259 D HA -0.033 4.607 4.640 0.000 0.000 0.201 259 D C 1.995 178.446 176.300 0.251 0.000 0.972 259 D CA 1.519 55.631 54.000 0.188 0.000 0.835 259 D CB -0.202 40.665 40.800 0.113 0.000 0.966 259 D HN 0.531 nan 8.370 nan 0.000 0.476 260 G N 0.609 109.596 108.800 0.313 0.000 2.499 260 G HA2 -0.337 3.623 3.960 0.000 0.000 0.221 260 G HA3 -0.337 3.623 3.960 0.000 0.000 0.221 260 G C 1.609 176.578 174.900 0.115 0.000 1.109 260 G CA 0.540 45.765 45.100 0.208 0.000 0.749 260 G HN 0.242 nan 8.290 nan 0.000 0.568 261 R N -0.622 119.933 120.500 0.091 0.000 2.200 261 R HA 0.003 4.343 4.340 0.000 0.000 0.234 261 R C 2.113 178.425 176.300 0.019 0.000 1.127 261 R CA 0.676 56.802 56.100 0.044 0.000 0.989 261 R CB -0.228 30.098 30.300 0.043 0.000 0.869 261 R HN 0.356 nan 8.270 nan 0.000 0.459 262 L N -0.327 120.917 121.223 0.034 0.000 2.275 262 L HA -0.029 4.311 4.340 0.000 0.000 0.215 262 L C 1.799 178.573 176.870 -0.160 0.000 1.119 262 L CA 1.448 56.265 54.840 -0.038 0.000 0.790 262 L CB -0.090 41.966 42.059 -0.005 0.000 0.919 262 L HN 0.166 nan 8.230 nan 0.000 0.443 263 A N -1.231 121.500 122.820 -0.150 0.000 2.460 263 A HA 0.506 4.826 4.320 0.000 0.000 0.258 263 A C 1.620 179.151 177.584 -0.087 0.000 1.300 263 A CA 0.405 52.321 52.037 -0.201 0.000 0.913 263 A CB -0.593 18.298 19.000 -0.181 0.000 1.031 263 A HN 0.403 nan 8.150 nan 0.000 0.512 264 G N -0.251 108.517 108.800 -0.055 0.000 2.153 264 G HA2 -0.246 3.714 3.960 0.000 0.000 0.252 264 G HA3 -0.246 3.714 3.960 0.000 0.000 0.252 264 G C 0.065 174.951 174.900 -0.023 0.000 0.994 264 G CA 0.510 45.589 45.100 -0.034 0.000 0.698 264 G HN 0.543 nan 8.290 nan 0.000 0.521 265 I N 1.022 121.584 120.570 -0.014 0.000 2.312 265 I HA 0.354 4.524 4.170 0.000 0.000 0.291 265 I C 1.557 177.673 176.117 -0.003 0.000 1.031 265 I CA -0.344 60.944 61.300 -0.019 0.000 1.293 265 I CB 1.420 39.397 38.000 -0.039 0.000 1.403 265 I HN 0.083 nan 8.210 nan 0.000 0.484 266 V N 1.567 121.478 119.914 -0.006 0.000 3.572 266 V HA 0.145 4.265 4.120 0.000 0.000 0.260 266 V C 0.856 176.953 176.094 0.005 0.000 1.324 266 V CA -0.114 62.190 62.300 0.006 0.000 1.068 266 V CB -0.247 31.579 31.823 0.005 0.000 0.837 266 V HN 0.784 nan 8.190 nan 0.000 0.450 267 Q N 2.611 122.407 119.800 -0.006 0.000 2.255 267 Q HA 0.211 4.551 4.340 0.000 0.000 0.280 267 Q C -2.328 173.676 176.000 0.007 0.000 1.068 267 Q CA -1.429 54.371 55.803 -0.004 0.000 0.911 267 Q CB 0.930 29.656 28.738 -0.020 0.000 1.157 267 Q HN 0.370 nan 8.270 nan 0.000 0.380 268 P HA -0.028 nan 4.420 nan 0.000 0.272 268 P C -0.700 176.623 177.300 0.039 0.000 1.230 268 P CA -0.303 62.816 63.100 0.032 0.000 0.788 268 P CB 0.474 32.193 31.700 0.031 0.000 0.949 269 N N 2.086 120.819 118.700 0.055 0.000 2.468 269 N HA -0.049 4.691 4.740 0.000 0.000 0.265 269 N C 0.470 176.022 175.510 0.071 0.000 1.199 269 N CA 0.114 53.209 53.050 0.074 0.000 0.928 269 N CB 0.430 38.965 38.487 0.080 0.000 1.059 269 N HN 0.375 nan 8.380 nan 0.000 0.467 270 D N 2.509 122.972 120.400 0.104 0.000 2.355 270 D HA 0.046 4.686 4.640 0.000 0.000 0.218 270 D C 1.117 177.457 176.300 0.067 0.000 1.004 270 D CA 0.553 54.610 54.000 0.095 0.000 0.880 270 D CB -0.403 40.482 40.800 0.143 0.000 0.911 270 D HN 0.701 nan 8.370 nan 0.000 0.528 271 G N 0.182 109.017 108.800 0.060 0.000 2.203 271 G HA2 -0.328 3.632 3.960 0.000 0.000 0.263 271 G HA3 -0.328 3.632 3.960 0.000 0.000 0.263 271 G C -0.048 174.833 174.900 -0.032 0.000 1.012 271 G CA 0.481 45.581 45.100 0.001 0.000 0.749 271 G HN 0.505 nan 8.290 nan 0.000 0.512 272 Q N -1.412 118.370 119.800 -0.031 0.000 2.241 272 Q HA 0.551 4.891 4.340 0.000 0.000 0.262 272 Q C 0.396 176.193 176.000 -0.337 0.000 1.014 272 Q CA -0.694 55.000 55.803 -0.182 0.000 0.885 272 Q CB 2.066 30.672 28.738 -0.220 0.000 1.311 272 Q HN 0.385 nan 8.270 nan 0.000 0.461 273 c N 2.169 120.565 118.600 -0.339 0.000 2.576 273 c HA 0.161 4.731 4.570 0.000 0.000 0.401 273 c C 0.098 173.931 174.090 -0.428 0.000 1.314 273 c CA -0.031 56.141 56.329 -0.261 0.000 1.855 273 c CB -0.878 41.547 42.510 -0.142 0.000 2.537 273 c HN 0.752 nan 8.230 nan 0.000 0.578 274 H N 3.943 123.098 119.070 0.141 0.000 2.651 274 H HA 0.246 4.802 4.556 0.000 0.000 0.241 274 H C -0.577 174.839 175.328 0.147 0.000 1.225 274 H CA -0.016 56.122 56.048 0.151 0.000 0.942 274 H CB 0.345 30.232 29.762 0.208 0.000 1.996 274 H HN 0.452 nan 8.280 nan 0.000 0.600 275 V N 1.406 121.423 119.914 0.171 0.000 2.293 275 V HA 0.407 4.527 4.120 0.000 0.000 0.275 275 V C 1.027 177.152 176.094 0.051 0.000 1.021 275 V CA -0.456 61.915 62.300 0.118 0.000 0.815 275 V CB 1.145 33.060 31.823 0.154 0.000 1.025 275 V HN 0.504 nan 8.190 nan 0.000 0.448 276 G N 2.940 111.760 108.800 0.034 0.000 2.829 276 G HA2 0.244 4.204 3.960 0.000 0.000 0.173 276 G HA3 0.244 4.204 3.960 0.000 0.000 0.173 276 G C 1.179 176.103 174.900 0.041 0.000 1.476 276 G CA 0.512 45.631 45.100 0.033 0.000 1.072 276 G HN 0.535 nan 8.290 nan 0.000 0.577 277 S N 1.076 116.802 115.700 0.043 0.000 2.368 277 S HA -0.124 4.346 4.470 0.000 0.000 0.224 277 S C 1.886 176.515 174.600 0.049 0.000 1.029 277 S CA 1.710 59.935 58.200 0.041 0.000 0.988 277 S CB -0.313 62.907 63.200 0.033 0.000 0.838 277 S HN 0.757 nan 8.310 nan 0.000 0.462 278 D N 1.068 121.512 120.400 0.074 0.000 2.363 278 D HA -0.053 4.587 4.640 0.000 0.000 0.220 278 D C 0.119 176.466 176.300 0.079 0.000 0.994 278 D CA 0.249 54.298 54.000 0.082 0.000 0.890 278 D CB -0.683 40.196 40.800 0.133 0.000 0.906 278 D HN 0.198 nan 8.370 nan 0.000 0.530 279 N N 0.166 118.914 118.700 0.079 0.000 2.850 279 N HA -0.189 4.551 4.740 0.000 0.000 0.249 279 N C -0.475 175.060 175.510 0.043 0.000 1.060 279 N CA 1.088 54.172 53.050 0.056 0.000 0.825 279 N CB -2.096 36.395 38.487 0.008 0.000 1.132 279 N HN 0.778 nan 8.380 nan 0.000 0.564 280 H N -1.272 117.803 119.070 0.009 0.000 2.499 280 H HA 0.286 4.842 4.556 0.000 0.000 0.340 280 H C -0.656 174.791 175.328 0.198 0.000 1.148 280 H CA -0.594 55.487 56.048 0.054 0.000 1.215 280 H CB 0.950 30.741 29.762 0.048 0.000 1.529 280 H HN 0.074 nan 8.280 nan 0.000 0.510 281 Y N 4.050 124.360 120.300 0.017 0.000 2.637 281 Y HA 0.058 4.608 4.550 0.000 0.000 0.350 281 Y C 1.112 176.904 175.900 -0.180 0.000 1.069 281 Y CA -0.001 58.128 58.100 0.047 0.000 1.397 281 Y CB 0.359 39.010 38.460 0.318 0.000 1.163 281 Y HN 0.696 nan 8.280 nan 0.000 0.527 282 S N 3.482 118.904 115.700 -0.463 0.000 2.461 282 S HA 0.001 4.471 4.470 0.000 0.000 0.228 282 S C 1.736 176.056 174.600 -0.466 0.000 1.005 282 S CA 0.386 58.281 58.200 -0.510 0.000 0.942 282 S CB -0.215 62.799 63.200 -0.311 0.000 0.776 282 S HN 0.703 nan 8.310 nan 0.000 0.514 283 A N 1.199 123.530 122.820 -0.816 0.000 2.251 283 A HA 0.339 4.659 4.320 0.000 0.000 0.209 283 A C 2.073 179.157 177.584 -0.834 0.000 1.187 283 A CA 0.708 52.279 52.037 -0.776 0.000 0.823 283 A CB -0.864 17.741 19.000 -0.657 0.000 0.846 283 A HN 0.485 nan 8.150 nan 0.000 0.486 284 S N 0.544 115.620 115.700 -1.041 0.000 2.372 284 S HA -0.205 4.265 4.470 0.000 0.000 0.227 284 S C 2.088 176.581 174.600 -0.179 0.000 1.044 284 S CA 2.619 60.565 58.200 -0.423 0.000 1.050 284 S CB -0.393 62.775 63.200 -0.052 0.000 0.901 284 S HN 0.831 nan 8.310 nan 0.000 0.447 285 T N -2.034 112.435 114.554 -0.142 0.000 3.107 285 T HA 0.130 4.480 4.350 0.000 0.000 0.249 285 T C 1.329 175.974 174.700 -0.093 0.000 1.096 285 T CA 1.062 63.119 62.100 -0.071 0.000 1.012 285 T CB 0.020 68.874 68.868 -0.024 0.000 0.977 285 T HN 0.526 nan 8.240 nan 0.000 0.527 286 T N -1.785 112.684 114.554 -0.142 0.000 3.004 286 T HA 0.487 4.837 4.350 0.000 0.000 0.266 286 T C 0.039 174.668 174.700 -0.118 0.000 0.986 286 T CA -0.621 61.407 62.100 -0.120 0.000 0.902 286 T CB -0.020 68.771 68.868 -0.129 0.000 1.118 286 T HN 0.382 nan 8.240 nan 0.000 0.522 287 M N 1.978 121.497 119.600 -0.134 0.000 2.393 287 M HA 0.488 4.968 4.480 0.000 0.000 0.299 287 M C -1.699 174.547 176.300 -0.090 0.000 1.103 287 M CA -0.698 54.551 55.300 -0.085 0.000 0.910 287 M CB 2.221 34.783 32.600 -0.063 0.000 1.659 287 M HN -0.092 nan 8.290 nan 0.000 0.445 288 D N 2.133 122.500 120.400 -0.055 0.000 2.368 288 D HA 0.122 4.762 4.640 0.000 0.000 0.240 288 D C -1.036 175.237 176.300 -0.045 0.000 1.169 288 D CA 0.523 54.479 54.000 -0.072 0.000 0.906 288 D CB 0.536 41.353 40.800 0.028 0.000 1.187 288 D HN 0.394 nan 8.370 nan 0.000 0.435 289 Y N 1.177 121.524 120.300 0.077 0.000 2.652 289 Y HA 0.138 4.688 4.550 0.000 0.000 0.344 289 Y C -1.285 174.665 175.900 0.084 0.000 1.254 289 Y CA -1.042 57.111 58.100 0.089 0.000 1.480 289 Y CB -0.299 38.205 38.460 0.073 0.000 1.345 289 Y HN 0.245 nan 8.280 nan 0.000 0.617 290 P HA 0.088 nan 4.420 nan 0.000 0.278 290 P C -0.694 176.679 177.300 0.121 0.000 1.238 290 P CA -0.527 62.646 63.100 0.123 0.000 0.794 290 P CB 1.262 32.988 31.700 0.043 0.000 0.955 291 S N 2.098 117.838 115.700 0.066 0.000 2.624 291 S HA 0.185 4.655 4.470 0.000 0.000 0.263 291 S C 1.632 176.225 174.600 -0.010 0.000 1.287 291 S CA -0.652 57.577 58.200 0.049 0.000 0.990 291 S CB -0.031 63.191 63.200 0.037 0.000 0.950 291 S HN 0.356 nan 8.310 nan 0.000 0.561 292 L N 1.126 122.341 121.223 -0.012 0.000 2.046 292 L HA 0.011 4.351 4.340 0.000 0.000 0.208 292 L C 2.893 179.724 176.870 -0.064 0.000 1.077 292 L CA 1.500 56.301 54.840 -0.065 0.000 0.747 292 L CB -1.416 40.639 42.059 -0.006 0.000 0.896 292 L HN 0.975 nan 8.230 nan 0.000 0.432 293 G N 0.179 108.962 108.800 -0.029 0.000 2.418 293 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 293 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 293 G C 1.584 176.457 174.900 -0.046 0.000 1.158 293 G CA 0.698 45.780 45.100 -0.030 0.000 0.771 293 G HN 0.201 nan 8.290 nan 0.000 0.545 294 L N 0.189 121.385 121.223 -0.045 0.000 2.109 294 L HA 0.221 4.561 4.340 0.000 0.000 0.207 294 L C 2.877 179.693 176.870 -0.090 0.000 1.086 294 L CA 1.357 56.166 54.840 -0.052 0.000 0.760 294 L CB -0.348 41.693 42.059 -0.030 0.000 0.910 294 L HN 0.225 nan 8.230 nan 0.000 0.437 295 M N -1.367 118.158 119.600 -0.126 0.000 2.065 295 M HA -0.234 4.246 4.480 0.000 0.000 0.259 295 M C 2.053 178.253 176.300 -0.167 0.000 1.069 295 M CA 2.462 57.648 55.300 -0.190 0.000 1.110 295 M CB -0.809 31.608 32.600 -0.306 0.000 1.328 295 M HN 0.225 nan 8.290 nan 0.000 0.405 296 T N -0.156 114.317 114.554 -0.134 0.000 2.720 296 T HA -0.218 4.132 4.350 0.000 0.000 0.268 296 T C 1.646 176.286 174.700 -0.099 0.000 1.037 296 T CA 1.734 63.769 62.100 -0.109 0.000 1.144 296 T CB -0.369 68.456 68.868 -0.072 0.000 0.864 296 T HN 0.494 nan 8.240 nan 0.000 0.444 297 E N 0.722 120.871 120.200 -0.086 0.000 2.038 297 E HA -0.212 4.138 4.350 0.000 0.000 0.195 297 E C 2.120 178.663 176.600 -0.094 0.000 1.000 297 E CA 1.054 57.408 56.400 -0.076 0.000 0.803 297 E CB 0.071 29.735 29.700 -0.061 0.000 0.750 297 E HN 0.203 nan 8.360 nan 0.000 0.448 298 K N 0.469 120.804 120.400 -0.109 0.000 2.097 298 K HA -0.081 4.239 4.320 0.000 0.000 0.205 298 K C 2.371 178.876 176.600 -0.159 0.000 1.050 298 K CA 0.597 56.808 56.287 -0.126 0.000 0.938 298 K CB -0.478 31.944 32.500 -0.129 0.000 0.718 298 K HN 0.271 nan 8.250 nan 0.000 0.442 299 L N 0.794 121.914 121.223 -0.171 0.000 2.012 299 L HA -0.207 4.133 4.340 0.000 0.000 0.210 299 L C 2.686 179.454 176.870 -0.169 0.000 1.073 299 L CA 1.371 56.094 54.840 -0.195 0.000 0.748 299 L CB -0.549 41.394 42.059 -0.193 0.000 0.891 299 L HN 0.166 nan 8.230 nan 0.000 0.431 300 S N -1.022 114.600 115.700 -0.131 0.000 2.382 300 S HA -0.253 4.218 4.470 0.000 0.000 0.228 300 S C 1.980 176.518 174.600 -0.103 0.000 1.027 300 S CA 1.459 59.596 58.200 -0.105 0.000 0.991 300 S CB -0.109 63.042 63.200 -0.083 0.000 0.823 300 S HN 0.428 nan 8.310 nan 0.000 0.469 301 Q N -0.130 119.606 119.800 -0.107 0.000 2.079 301 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 301 Q C 1.199 177.128 176.000 -0.118 0.000 0.974 301 Q CA 0.971 56.716 55.803 -0.098 0.000 0.840 301 Q CB 0.006 28.689 28.738 -0.091 0.000 0.898 301 Q HN 0.300 nan 8.270 nan 0.000 0.430 302 K N 0.657 120.956 120.400 -0.168 0.000 2.404 302 K HA 0.015 4.335 4.320 0.000 0.000 0.194 302 K C 0.133 176.589 176.600 -0.241 0.000 1.023 302 K CA 0.092 56.238 56.287 -0.236 0.000 1.094 302 K CB -0.060 32.236 32.500 -0.341 0.000 0.841 302 K HN 0.231 nan 8.250 nan 0.000 0.523 303 N N 1.159 119.765 118.700 -0.158 0.000 2.727 303 N HA -0.179 4.561 4.740 0.000 0.000 0.251 303 N C -1.221 174.233 175.510 -0.093 0.000 1.040 303 N CA 0.361 53.359 53.050 -0.087 0.000 0.712 303 N CB -1.335 37.146 38.487 -0.010 0.000 0.912 303 N HN 0.242 nan 8.380 nan 0.000 0.545 304 I N 0.258 120.688 120.570 -0.234 0.000 2.441 304 I HA 0.307 4.477 4.170 0.000 0.000 0.295 304 I C -0.127 175.875 176.117 -0.191 0.000 0.994 304 I CA -0.911 60.205 61.300 -0.307 0.000 1.144 304 I CB 1.623 39.297 38.000 -0.542 0.000 1.314 304 I HN 0.102 nan 8.210 nan 0.000 0.445 305 N N 6.022 124.644 118.700 -0.130 0.000 2.444 305 N HA 0.308 5.048 4.740 0.000 0.000 0.262 305 N C -0.896 174.556 175.510 -0.096 0.000 0.974 305 N CA -0.594 52.399 53.050 -0.096 0.000 0.933 305 N CB 2.309 40.766 38.487 -0.050 0.000 1.137 305 N HN 0.324 nan 8.380 nan 0.000 0.498 306 L N 3.592 124.715 121.223 -0.167 0.000 2.319 306 L HA 0.467 4.807 4.340 0.000 0.000 0.280 306 L C -0.476 176.241 176.870 -0.255 0.000 1.099 306 L CA -0.067 54.618 54.840 -0.258 0.000 0.828 306 L CB 0.284 42.066 42.059 -0.462 0.000 1.150 306 L HN 0.428 nan 8.230 nan 0.000 0.442 307 I N 5.833 126.304 120.570 -0.165 0.000 2.382 307 I HA 0.220 4.390 4.170 0.000 0.000 0.286 307 I C -0.934 175.173 176.117 -0.017 0.000 1.002 307 I CA -0.503 60.761 61.300 -0.060 0.000 1.135 307 I CB 0.970 39.011 38.000 0.068 0.000 1.288 307 I HN 0.393 nan 8.210 nan 0.000 0.448 308 F N 5.097 125.140 119.950 0.155 0.000 2.438 308 F HA 0.335 4.863 4.527 0.000 0.000 0.360 308 F C 0.921 176.807 175.800 0.142 0.000 1.118 308 F CA -0.479 57.627 58.000 0.177 0.000 1.164 308 F CB 0.823 39.905 39.000 0.137 0.000 1.131 308 F HN 0.457 nan 8.300 nan 0.000 0.527 309 A N 4.952 127.961 122.820 0.315 0.000 2.736 309 A HA 0.609 4.929 4.320 0.000 0.000 0.335 309 A C -0.382 177.276 177.584 0.124 0.000 1.446 309 A CA -0.498 51.659 52.037 0.199 0.000 1.028 309 A CB -0.366 18.749 19.000 0.192 0.000 1.154 309 A HN 0.628 nan 8.150 nan 0.000 0.507 310 V N 0.524 120.500 119.914 0.104 0.000 2.919 310 V HA 0.870 4.990 4.120 0.000 0.000 0.316 310 V C 0.296 176.436 176.094 0.075 0.000 1.077 310 V CA -0.185 62.138 62.300 0.038 0.000 0.977 310 V CB 1.209 32.999 31.823 -0.055 0.000 1.039 310 V HN 0.805 nan 8.190 nan 0.000 0.441 311 T N 0.137 114.732 114.554 0.067 0.000 2.813 311 T HA 0.268 4.618 4.350 0.000 0.000 0.297 311 T C 0.976 175.727 174.700 0.084 0.000 1.036 311 T CA 0.552 62.695 62.100 0.071 0.000 1.044 311 T CB 0.969 69.871 68.868 0.056 0.000 0.993 311 T HN 1.146 nan 8.240 nan 0.000 0.535 312 E N 1.779 122.022 120.200 0.070 0.000 2.118 312 E HA -0.306 4.044 4.350 0.000 0.000 0.195 312 E C 1.727 178.365 176.600 0.064 0.000 0.992 312 E CA 1.788 58.228 56.400 0.066 0.000 0.804 312 E CB -0.612 29.119 29.700 0.052 0.000 0.741 312 E HN 0.758 nan 8.360 nan 0.000 0.458 313 N N 1.391 120.126 118.700 0.059 0.000 2.430 313 N HA -0.143 4.597 4.740 0.000 0.000 0.186 313 N C 1.396 176.943 175.510 0.063 0.000 1.032 313 N CA 1.902 54.982 53.050 0.051 0.000 0.893 313 N CB -0.001 38.512 38.487 0.043 0.000 0.957 313 N HN 0.438 nan 8.380 nan 0.000 0.442 314 V N -4.329 115.650 119.914 0.108 0.000 3.330 314 V HA 0.276 4.396 4.120 0.000 0.000 0.309 314 V C 1.870 178.091 176.094 0.212 0.000 1.481 314 V CA -0.383 62.010 62.300 0.155 0.000 1.068 314 V CB -0.102 31.894 31.823 0.288 0.000 0.935 314 V HN -0.084 nan 8.190 nan 0.000 0.453 315 V N 2.173 122.180 119.914 0.156 0.000 2.282 315 V HA -0.326 3.794 4.120 0.000 0.000 0.249 315 V C 2.481 178.636 176.094 0.103 0.000 1.057 315 V CA 3.227 65.620 62.300 0.155 0.000 1.032 315 V CB -1.079 30.810 31.823 0.109 0.000 0.645 315 V HN 0.706 nan 8.190 nan 0.000 0.447 316 N N -0.167 118.556 118.700 0.037 0.000 2.166 316 N HA -0.191 4.549 4.740 0.000 0.000 0.186 316 N C 1.713 177.158 175.510 -0.108 0.000 1.019 316 N CA 1.222 54.259 53.050 -0.021 0.000 0.856 316 N CB -0.248 38.220 38.487 -0.032 0.000 0.993 316 N HN 0.376 nan 8.380 nan 0.000 0.426 317 L N 0.122 121.248 121.223 -0.162 0.000 1.989 317 L HA -0.179 4.161 4.340 0.000 0.000 0.211 317 L C 1.430 177.976 176.870 -0.540 0.000 1.071 317 L CA 1.752 56.344 54.840 -0.414 0.000 0.749 317 L CB -0.711 41.078 42.059 -0.450 0.000 0.890 317 L HN 0.196 nan 8.230 nan 0.000 0.431 318 Y N -1.014 119.190 120.300 -0.160 0.000 2.395 318 Y HA -0.122 4.428 4.550 0.000 0.000 0.293 318 Y C 2.682 178.549 175.900 -0.055 0.000 1.123 318 Y CA 1.179 59.169 58.100 -0.184 0.000 1.227 318 Y CB -0.427 37.858 38.460 -0.291 0.000 1.012 318 Y HN 0.349 nan 8.280 nan 0.000 0.552 319 Q N 0.831 120.696 119.800 0.109 0.000 2.167 319 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 319 Q C 1.406 177.432 176.000 0.043 0.000 0.970 319 Q CA 1.781 57.650 55.803 0.110 0.000 0.855 319 Q CB -0.267 28.519 28.738 0.080 0.000 0.911 319 Q HN 0.286 nan 8.270 nan 0.000 0.438 320 N N -1.075 117.578 118.700 -0.079 0.000 2.216 320 N HA -0.095 4.645 4.740 0.000 0.000 0.183 320 N C 1.114 176.574 175.510 -0.084 0.000 1.017 320 N CA 1.063 54.034 53.050 -0.133 0.000 0.861 320 N CB -0.346 37.981 38.487 -0.266 0.000 0.986 320 N HN 0.312 nan 8.380 nan 0.000 0.428 321 Y N 0.890 121.166 120.300 -0.039 0.000 2.293 321 Y HA -0.006 4.544 4.550 0.000 0.000 0.291 321 Y C 2.697 178.674 175.900 0.129 0.000 1.137 321 Y CA 0.444 58.551 58.100 0.012 0.000 1.202 321 Y CB -0.813 37.618 38.460 -0.048 0.000 0.990 321 Y HN 0.019 nan 8.280 nan 0.000 0.537 322 S N -0.142 115.761 115.700 0.338 0.000 2.382 322 S HA -0.209 4.261 4.470 0.000 0.000 0.228 322 S C 1.865 176.575 174.600 0.184 0.000 1.027 322 S CA 1.511 59.915 58.200 0.341 0.000 0.991 322 S CB -0.196 63.207 63.200 0.337 0.000 0.823 322 S HN 0.563 nan 8.310 nan 0.000 0.469 323 E N 0.226 120.504 120.200 0.130 0.000 2.265 323 E HA -0.032 4.318 4.350 0.000 0.000 0.196 323 E C 1.669 178.313 176.600 0.074 0.000 0.996 323 E CA 0.831 57.279 56.400 0.080 0.000 0.832 323 E CB -0.084 29.646 29.700 0.049 0.000 0.756 323 E HN 0.492 nan 8.360 nan 0.000 0.491 324 L N 0.376 121.660 121.223 0.102 0.000 2.529 324 L HA 0.143 4.484 4.340 0.000 0.000 0.223 324 L C 0.632 177.543 176.870 0.068 0.000 1.113 324 L CA 0.164 55.056 54.840 0.087 0.000 0.861 324 L CB 0.381 42.511 42.059 0.119 0.000 1.012 324 L HN 0.049 nan 8.230 nan 0.000 0.461 325 I N 0.874 121.493 120.570 0.081 0.000 2.621 325 I HA 0.256 4.426 4.170 0.000 0.000 0.276 325 I C -2.342 173.787 176.117 0.019 0.000 1.118 325 I CA -1.866 59.452 61.300 0.030 0.000 1.159 325 I CB 0.862 38.872 38.000 0.016 0.000 1.357 325 I HN -0.230 nan 8.210 nan 0.000 0.513 326 P HA 0.046 nan 4.420 nan 0.000 0.262 326 P C 1.058 178.350 177.300 -0.015 0.000 1.182 326 P CA 0.965 64.067 63.100 0.003 0.000 0.761 326 P CB 0.692 32.389 31.700 -0.005 0.000 0.795 327 G N 1.684 110.480 108.800 -0.006 0.000 2.254 327 G HA2 -0.204 3.756 3.960 0.000 0.000 0.225 327 G HA3 -0.204 3.756 3.960 0.000 0.000 0.225 327 G C 0.347 175.234 174.900 -0.023 0.000 1.003 327 G CA -0.042 45.046 45.100 -0.021 0.000 0.622 327 G HN 0.590 nan 8.290 nan 0.000 0.507 328 T N 2.279 116.822 114.554 -0.019 0.000 2.926 328 T HA 0.516 4.866 4.350 0.000 0.000 0.307 328 T C 0.661 175.387 174.700 0.044 0.000 1.059 328 T CA 1.059 63.140 62.100 -0.033 0.000 1.122 328 T CB 1.335 70.185 68.868 -0.030 0.000 0.972 328 T HN 1.112 nan 8.240 nan 0.000 0.545 329 T N -1.160 113.420 114.554 0.044 0.000 2.916 329 T HA 0.732 5.082 4.350 0.000 0.000 0.292 329 T C -0.826 173.983 174.700 0.182 0.000 1.064 329 T CA -0.838 61.325 62.100 0.105 0.000 1.011 329 T CB 1.379 70.289 68.868 0.070 0.000 1.152 329 T HN 0.317 nan 8.240 nan 0.000 0.510 330 V N 0.586 120.623 119.914 0.204 0.000 2.656 330 V HA 0.864 4.984 4.120 0.000 0.000 0.307 330 V C 0.507 176.708 176.094 0.179 0.000 1.051 330 V CA -0.485 61.968 62.300 0.256 0.000 0.893 330 V CB 1.696 33.688 31.823 0.281 0.000 0.999 330 V HN 1.365 nan 8.190 nan 0.000 0.426 331 G N 2.108 111.015 108.800 0.179 0.000 2.574 331 G HA2 0.636 4.596 3.960 0.000 0.000 0.299 331 G HA3 0.636 4.596 3.960 0.000 0.000 0.299 331 G C -1.338 173.641 174.900 0.131 0.000 1.298 331 G CA -0.665 44.517 45.100 0.136 0.000 0.952 331 G HN 0.532 nan 8.290 nan 0.000 0.477 332 V N 1.609 121.586 119.914 0.106 0.000 2.406 332 V HA 0.261 4.381 4.120 0.000 0.000 0.272 332 V C 0.188 176.337 176.094 0.092 0.000 1.043 332 V CA -0.620 61.738 62.300 0.097 0.000 0.915 332 V CB 1.057 32.928 31.823 0.081 0.000 0.988 332 V HN 0.636 nan 8.190 nan 0.000 0.466 333 L N 6.684 127.961 121.223 0.091 0.000 2.361 333 L HA 0.614 4.954 4.340 0.000 0.000 0.278 333 L C 0.364 177.282 176.870 0.081 0.000 1.113 333 L CA 1.148 56.039 54.840 0.084 0.000 0.849 333 L CB 0.666 42.768 42.059 0.071 0.000 1.155 333 L HN 0.967 nan 8.230 nan 0.000 0.452 334 S N 3.833 119.587 115.700 0.090 0.000 2.757 334 S HA 0.383 4.853 4.470 0.000 0.000 0.285 334 S C 0.724 175.414 174.600 0.151 0.000 1.196 334 S CA -0.657 57.604 58.200 0.102 0.000 0.856 334 S CB 0.584 63.834 63.200 0.084 0.000 1.212 334 S HN 0.590 nan 8.310 nan 0.000 0.516 335 M N 1.307 121.015 119.600 0.180 0.000 2.213 335 M HA 0.015 4.495 4.480 0.000 0.000 0.263 335 M C 0.620 177.091 176.300 0.284 0.000 1.062 335 M CA 1.374 56.864 55.300 0.316 0.000 1.105 335 M CB -0.355 32.348 32.600 0.171 0.000 1.385 335 M HN 0.655 nan 8.290 nan 0.000 0.417 336 D N 0.012 120.506 120.400 0.157 0.000 2.256 336 D HA 0.086 4.726 4.640 0.000 0.000 0.250 336 D C 0.379 176.729 176.300 0.085 0.000 1.093 336 D CA 0.080 54.148 54.000 0.114 0.000 0.882 336 D CB 1.318 42.166 40.800 0.080 0.000 1.185 336 D HN 0.124 nan 8.370 nan 0.000 0.437 337 S N 1.270 117.005 115.700 0.058 0.000 2.540 337 S HA 0.005 4.475 4.470 0.000 0.000 0.218 337 S C 1.540 176.158 174.600 0.029 0.000 0.977 337 S CA -0.148 58.070 58.200 0.030 0.000 0.918 337 S CB 0.297 63.492 63.200 -0.009 0.000 0.806 337 S HN 0.329 nan 8.310 nan 0.000 0.496 338 S N 3.259 118.980 115.700 0.036 0.000 2.359 338 S HA -0.142 4.328 4.470 0.000 0.000 0.224 338 S C 1.927 176.550 174.600 0.038 0.000 1.035 338 S CA 1.368 59.586 58.200 0.031 0.000 1.018 338 S CB -0.690 62.529 63.200 0.033 0.000 0.876 338 S HN 0.673 nan 8.310 nan 0.000 0.448 339 N N 1.612 120.341 118.700 0.047 0.000 2.025 339 N HA -0.114 4.626 4.740 0.000 0.000 0.194 339 N C 1.708 177.254 175.510 0.060 0.000 1.044 339 N CA 1.685 54.768 53.050 0.055 0.000 0.851 339 N CB -0.567 37.958 38.487 0.063 0.000 1.036 339 N HN 0.266 nan 8.380 nan 0.000 0.422 340 V N 1.403 121.356 119.914 0.065 0.000 2.358 340 V HA -0.172 3.948 4.120 0.000 0.000 0.246 340 V C 2.507 178.635 176.094 0.057 0.000 1.047 340 V CA 1.107 63.452 62.300 0.075 0.000 1.035 340 V CB -0.594 31.282 31.823 0.089 0.000 0.658 340 V HN 0.262 nan 8.190 nan 0.000 0.452 341 L N -0.085 121.159 121.223 0.035 0.000 2.131 341 L HA -0.163 4.177 4.340 0.000 0.000 0.210 341 L C 2.446 179.332 176.870 0.027 0.000 1.092 341 L CA 1.855 56.706 54.840 0.018 0.000 0.759 341 L CB -0.793 41.265 42.059 -0.002 0.000 0.903 341 L HN 0.247 nan 8.230 nan 0.000 0.435 342 Q N -0.408 119.413 119.800 0.035 0.000 2.084 342 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 342 Q C 2.317 178.347 176.000 0.051 0.000 0.978 342 Q CA 1.938 57.766 55.803 0.040 0.000 0.844 342 Q CB -0.414 28.349 28.738 0.041 0.000 0.898 342 Q HN 0.570 nan 8.270 nan 0.000 0.426 343 L N 0.095 121.352 121.223 0.058 0.000 2.079 343 L HA -0.214 4.126 4.340 0.000 0.000 0.210 343 L C 2.228 179.139 176.870 0.068 0.000 1.081 343 L CA 0.712 55.591 54.840 0.064 0.000 0.752 343 L CB -0.494 41.608 42.059 0.073 0.000 0.896 343 L HN 0.206 nan 8.230 nan 0.000 0.433 344 I N -1.001 119.609 120.570 0.066 0.000 2.233 344 I HA -0.173 3.997 4.170 0.000 0.000 0.243 344 I C 2.620 178.793 176.117 0.094 0.000 1.093 344 I CA 1.063 62.408 61.300 0.075 0.000 1.380 344 I CB -1.037 36.995 38.000 0.053 0.000 1.067 344 I HN 0.029 nan 8.210 nan 0.000 0.413 345 V N 1.715 121.670 119.914 0.067 0.000 2.252 345 V HA -0.317 3.803 4.120 0.000 0.000 0.249 345 V C 2.305 178.477 176.094 0.129 0.000 1.056 345 V CA 2.207 64.556 62.300 0.082 0.000 1.022 345 V CB -0.762 31.086 31.823 0.041 0.000 0.641 345 V HN 0.340 nan 8.190 nan 0.000 0.445 346 D N 0.267 120.722 120.400 0.091 0.000 2.133 346 D HA -0.176 4.464 4.640 0.000 0.000 0.195 346 D C 2.189 178.538 176.300 0.082 0.000 0.997 346 D CA 1.776 55.824 54.000 0.080 0.000 0.840 346 D CB -0.436 40.399 40.800 0.059 0.000 0.947 346 D HN 0.480 nan 8.370 nan 0.000 0.452 347 A N -0.046 122.827 122.820 0.088 0.000 1.902 347 A HA -0.212 4.108 4.320 0.000 0.000 0.217 347 A C 2.209 179.844 177.584 0.085 0.000 1.181 347 A CA 1.248 53.327 52.037 0.070 0.000 0.623 347 A CB -1.048 17.994 19.000 0.070 0.000 0.818 347 A HN 0.330 nan 8.150 nan 0.000 0.443 348 Y N 0.797 121.114 120.300 0.028 0.000 2.181 348 Y HA -0.067 4.483 4.550 0.000 0.000 0.288 348 Y C 2.457 178.397 175.900 0.066 0.000 1.146 348 Y CA 1.447 59.577 58.100 0.050 0.000 1.164 348 Y CB -0.651 37.844 38.460 0.058 0.000 0.982 348 Y HN 0.256 nan 8.280 nan 0.000 0.515 349 G N -0.158 108.750 108.800 0.179 0.000 2.462 349 G HA2 -0.269 3.691 3.960 0.000 0.000 0.220 349 G HA3 -0.269 3.691 3.960 0.000 0.000 0.220 349 G C 1.572 176.476 174.900 0.007 0.000 1.121 349 G CA 0.921 46.081 45.100 0.101 0.000 0.758 349 G HN 0.393 nan 8.290 nan 0.000 0.559 350 K N -0.373 120.013 120.400 -0.023 0.000 2.459 350 K HA 0.228 4.548 4.320 0.000 0.000 0.193 350 K C 0.495 177.021 176.600 -0.123 0.000 1.030 350 K CA -0.271 55.984 56.287 -0.053 0.000 1.026 350 K CB 0.219 32.696 32.500 -0.038 0.000 0.809 350 K HN 0.310 nan 8.250 nan 0.000 0.504 351 I N 2.528 122.971 120.570 -0.212 0.000 2.588 351 I HA 0.011 4.181 4.170 0.000 0.000 0.283 351 I C 0.292 176.184 176.117 -0.376 0.000 1.119 351 I CA 0.033 61.105 61.300 -0.380 0.000 1.419 351 I CB 0.412 38.031 38.000 -0.635 0.000 1.394 351 I HN -0.016 nan 8.210 nan 0.000 0.562 352 R N 4.230 124.505 120.500 -0.376 0.000 2.744 352 R HA 0.590 4.930 4.340 0.000 0.000 0.279 352 R C -0.832 175.306 176.300 -0.270 0.000 0.977 352 R CA -0.767 55.190 56.100 -0.238 0.000 0.906 352 R CB 2.152 32.387 30.300 -0.107 0.000 1.197 352 R HN 0.782 nan 8.270 nan 0.000 0.463 353 S N 0.287 115.925 115.700 -0.103 0.000 2.709 353 S HA 0.750 5.220 4.470 0.000 0.000 0.302 353 S C -0.707 173.939 174.600 0.077 0.000 1.127 353 S CA -0.957 57.234 58.200 -0.015 0.000 0.905 353 S CB 2.401 65.694 63.200 0.155 0.000 1.151 353 S HN 0.537 nan 8.310 nan 0.000 0.510 354 K N -0.431 120.037 120.400 0.114 0.000 2.375 354 K HA 0.732 5.052 4.320 0.000 0.000 0.249 354 K C -1.708 175.003 176.600 0.185 0.000 0.942 354 K CA -1.044 55.315 56.287 0.120 0.000 0.806 354 K CB 1.967 34.506 32.500 0.065 0.000 1.227 354 K HN 0.362 nan 8.250 nan 0.000 0.430 355 V N 2.078 122.075 119.914 0.139 0.000 2.311 355 V HA 0.238 4.358 4.120 0.000 0.000 0.275 355 V C -0.674 175.442 176.094 0.036 0.000 1.022 355 V CA -0.400 61.937 62.300 0.060 0.000 0.830 355 V CB 0.624 32.489 31.823 0.071 0.000 1.012 355 V HN 0.914 nan 8.190 nan 0.000 0.452 356 E N 5.215 125.387 120.200 -0.048 0.000 2.186 356 E HA 0.478 4.828 4.350 0.000 0.000 0.255 356 E C -0.937 175.531 176.600 -0.221 0.000 0.881 356 E CA -0.600 55.732 56.400 -0.113 0.000 0.752 356 E CB 1.100 30.769 29.700 -0.051 0.000 1.176 356 E HN 0.633 nan 8.360 nan 0.000 0.421 357 L N 4.444 125.418 121.223 -0.414 0.000 2.426 357 L HA 0.265 4.605 4.340 0.000 0.000 0.271 357 L C 0.333 177.010 176.870 -0.321 0.000 1.169 357 L CA 0.139 54.710 54.840 -0.448 0.000 0.836 357 L CB 0.546 42.162 42.059 -0.739 0.000 1.112 357 L HN 0.619 nan 8.230 nan 0.000 0.465 358 E N 1.932 122.024 120.200 -0.181 0.000 2.317 358 E HA 0.638 4.988 4.350 0.000 0.000 0.270 358 E C -1.549 175.049 176.600 -0.003 0.000 0.885 358 E CA -0.986 55.358 56.400 -0.093 0.000 0.760 358 E CB 2.378 32.050 29.700 -0.047 0.000 1.227 358 E HN 0.188 nan 8.360 nan 0.000 0.434 359 V N 2.397 122.342 119.914 0.052 0.000 2.417 359 V HA 0.448 4.568 4.120 0.000 0.000 0.291 359 V C -0.167 175.994 176.094 0.112 0.000 1.024 359 V CA -0.718 61.667 62.300 0.143 0.000 0.861 359 V CB 1.107 33.045 31.823 0.192 0.000 0.985 359 V HN 0.611 nan 8.190 nan 0.000 0.436 360 R N 3.021 123.605 120.500 0.140 0.000 2.637 360 R HA 0.511 4.851 4.340 0.000 0.000 0.291 360 R C -0.729 175.660 176.300 0.148 0.000 0.963 360 R CA -0.711 55.455 56.100 0.109 0.000 0.901 360 R CB 1.387 31.736 30.300 0.081 0.000 1.160 360 R HN 0.797 nan 8.270 nan 0.000 0.457 361 D N 0.774 121.239 120.400 0.108 0.000 2.907 361 D HA -0.170 4.470 4.640 0.000 0.000 0.226 361 D C -0.533 175.855 176.300 0.147 0.000 1.141 361 D CA 0.623 54.693 54.000 0.116 0.000 0.779 361 D CB -1.208 39.665 40.800 0.121 0.000 1.095 361 D HN 0.225 nan 8.370 nan 0.000 0.430 362 L N 0.959 122.227 121.223 0.075 0.000 2.360 362 L HA 0.358 4.698 4.340 0.000 0.000 0.276 362 L C -1.766 175.087 176.870 -0.027 0.000 1.121 362 L CA -0.901 53.904 54.840 -0.060 0.000 0.845 362 L CB 0.319 42.270 42.059 -0.180 0.000 1.143 362 L HN -0.227 nan 8.230 nan 0.000 0.452 363 P HA 0.040 nan 4.420 nan 0.000 0.269 363 P C 0.283 177.571 177.300 -0.020 0.000 1.215 363 P CA -0.198 62.912 63.100 0.016 0.000 0.780 363 P CB 0.615 32.356 31.700 0.068 0.000 0.898 364 E N 2.002 122.193 120.200 -0.015 0.000 2.086 364 E HA -0.296 4.054 4.350 0.000 0.000 0.200 364 E C 1.182 177.759 176.600 -0.039 0.000 1.012 364 E CA 2.157 58.541 56.400 -0.027 0.000 0.812 364 E CB -0.499 29.186 29.700 -0.025 0.000 0.743 364 E HN 0.485 nan 8.360 nan 0.000 0.453 365 E N -0.050 120.124 120.200 -0.044 0.000 2.106 365 E HA 0.050 4.400 4.350 0.000 0.000 0.192 365 E C 0.265 176.841 176.600 -0.040 0.000 0.984 365 E CA 0.580 56.941 56.400 -0.064 0.000 0.806 365 E CB -0.082 29.541 29.700 -0.129 0.000 0.750 365 E HN 0.283 nan 8.360 nan 0.000 0.458 366 L N 1.026 122.235 121.223 -0.023 0.000 2.375 366 L HA 0.306 4.646 4.340 0.000 0.000 0.271 366 L C 0.024 176.833 176.870 -0.101 0.000 1.107 366 L CA -0.662 54.152 54.840 -0.043 0.000 0.806 366 L CB 1.174 43.187 42.059 -0.078 0.000 1.146 366 L HN 0.027 nan 8.230 nan 0.000 0.447 367 S N 3.055 118.692 115.700 -0.104 0.000 2.541 367 S HA 0.733 5.203 4.470 0.000 0.000 0.280 367 S C -1.012 173.494 174.600 -0.158 0.000 1.112 367 S CA -0.926 57.203 58.200 -0.117 0.000 0.925 367 S CB 1.618 64.774 63.200 -0.073 0.000 1.067 367 S HN 0.442 nan 8.310 nan 0.000 0.479 368 L N 2.589 123.689 121.223 -0.204 0.000 2.334 368 L HA 0.810 5.150 4.340 0.000 0.000 0.273 368 L C 0.032 176.658 176.870 -0.406 0.000 1.013 368 L CA -0.679 53.947 54.840 -0.357 0.000 0.816 368 L CB 2.275 44.043 42.059 -0.485 0.000 1.278 368 L HN 0.986 nan 8.230 nan 0.000 0.431 369 S N 0.749 116.134 115.700 -0.525 0.000 2.548 369 S HA 0.794 5.264 4.470 0.000 0.000 0.286 369 S C -1.064 173.191 174.600 -0.575 0.000 1.098 369 S CA -0.682 57.278 58.200 -0.400 0.000 0.930 369 S CB 1.551 64.654 63.200 -0.161 0.000 1.070 369 S HN 0.291 nan 8.310 nan 0.000 0.480 370 F N 1.091 121.020 119.950 -0.036 0.000 2.561 370 F HA 0.616 5.143 4.527 0.000 0.000 0.321 370 F C 0.095 175.908 175.800 0.022 0.000 1.065 370 F CA -0.881 57.111 58.000 -0.013 0.000 0.934 370 F CB 1.877 40.878 39.000 0.003 0.000 1.215 370 F HN 0.490 nan 8.300 nan 0.000 0.471 371 N N 1.216 120.057 118.700 0.235 0.000 2.399 371 N HA 0.601 5.341 4.740 0.000 0.000 0.284 371 N C -1.229 174.393 175.510 0.187 0.000 1.025 371 N CA -0.618 52.527 53.050 0.157 0.000 0.885 371 N CB 2.043 40.567 38.487 0.061 0.000 1.339 371 N HN 0.716 nan 8.380 nan 0.000 0.487 372 A N 1.463 124.366 122.820 0.138 0.000 2.274 372 A HA 0.575 4.895 4.320 0.000 0.000 0.309 372 A C -0.192 177.290 177.584 -0.171 0.000 1.226 372 A CA -0.326 51.685 52.037 -0.042 0.000 0.853 372 A CB 0.190 19.235 19.000 0.076 0.000 1.146 372 A HN 0.456 nan 8.150 nan 0.000 0.518 373 T N 3.097 117.462 114.554 -0.313 0.000 2.929 373 T HA 0.359 4.709 4.350 0.000 0.000 0.331 373 T C 0.121 174.657 174.700 -0.274 0.000 1.120 373 T CA -0.252 61.715 62.100 -0.221 0.000 0.973 373 T CB -0.260 68.513 68.868 -0.159 0.000 1.036 373 T HN 0.712 nan 8.240 nan 0.000 0.502 374 c N 2.032 120.515 118.600 -0.195 0.000 2.596 374 c HA 0.392 4.962 4.570 0.000 0.000 0.372 374 c C 2.452 176.483 174.090 -0.099 0.000 1.881 374 c CA -0.759 55.474 56.329 -0.161 0.000 1.902 374 c CB -0.202 42.245 42.510 -0.106 0.000 1.922 374 c HN 0.869 nan 8.230 nan 0.000 0.495 375 L N 1.956 123.140 121.223 -0.064 0.000 2.187 375 L HA -0.155 4.185 4.340 0.000 0.000 0.213 375 L C 2.106 178.956 176.870 -0.034 0.000 1.100 375 L CA 1.593 56.409 54.840 -0.039 0.000 0.765 375 L CB -0.743 41.304 42.059 -0.019 0.000 0.904 375 L HN 0.786 nan 8.230 nan 0.000 0.437 376 N N -0.740 117.939 118.700 -0.035 0.000 2.571 376 N HA -0.185 4.555 4.740 0.000 0.000 0.189 376 N C 0.202 175.693 175.510 -0.032 0.000 1.154 376 N CA 0.444 53.477 53.050 -0.028 0.000 0.907 376 N CB -0.728 37.744 38.487 -0.024 0.000 0.977 376 N HN 0.191 nan 8.380 nan 0.000 0.449 377 N N -0.042 118.632 118.700 -0.043 0.000 2.735 377 N HA -0.189 4.551 4.740 0.000 0.000 0.248 377 N C -1.360 174.127 175.510 -0.038 0.000 1.083 377 N CA 0.907 53.932 53.050 -0.043 0.000 0.703 377 N CB -1.700 36.768 38.487 -0.031 0.000 1.005 377 N HN 0.681 nan 8.380 nan 0.000 0.550 378 E N -0.570 119.604 120.200 -0.043 0.000 2.218 378 E HA 0.365 4.715 4.350 0.000 0.000 0.263 378 E C -0.421 176.155 176.600 -0.040 0.000 0.879 378 E CA -0.803 55.576 56.400 -0.034 0.000 0.762 378 E CB 2.054 31.740 29.700 -0.024 0.000 1.166 378 E HN -0.067 nan 8.360 nan 0.000 0.415 379 V N 5.276 125.170 119.914 -0.033 0.000 2.400 379 V HA 0.026 4.146 4.120 0.000 0.000 0.263 379 V C 0.199 176.285 176.094 -0.013 0.000 1.026 379 V CA 0.395 62.678 62.300 -0.028 0.000 1.077 379 V CB -0.752 31.060 31.823 -0.019 0.000 1.054 379 V HN 0.579 nan 8.190 nan 0.000 0.477 380 I N 9.286 129.850 120.570 -0.010 0.000 2.308 380 I HA 0.246 4.416 4.170 0.000 0.000 0.293 380 I C -1.810 174.326 176.117 0.031 0.000 1.078 380 I CA -1.611 59.694 61.300 0.008 0.000 1.292 380 I CB 0.943 38.948 38.000 0.008 0.000 1.423 380 I HN 0.408 nan 8.210 nan 0.000 0.493 381 P HA 0.147 nan 4.420 nan 0.000 0.278 381 P C 0.754 178.090 177.300 0.060 0.000 1.238 381 P CA 0.120 63.246 63.100 0.043 0.000 0.794 381 P CB 1.287 33.002 31.700 0.025 0.000 0.955 382 G N 0.471 109.324 108.800 0.088 0.000 2.168 382 G HA2 -0.253 3.707 3.960 0.000 0.000 0.263 382 G HA3 -0.253 3.707 3.960 0.000 0.000 0.263 382 G C -0.295 174.677 174.900 0.119 0.000 0.977 382 G CA 0.254 45.418 45.100 0.107 0.000 0.659 382 G HN 0.601 nan 8.290 nan 0.000 0.533 383 L N 0.067 121.364 121.223 0.123 0.000 2.325 383 L HA 0.812 5.152 4.340 0.000 0.000 0.278 383 L C 0.771 177.724 176.870 0.138 0.000 1.023 383 L CA -0.348 54.551 54.840 0.098 0.000 0.811 383 L CB 1.391 43.498 42.059 0.080 0.000 1.249 383 L HN 0.252 nan 8.230 nan 0.000 0.431 384 K N 1.160 121.562 120.400 0.002 0.000 2.706 384 K HA 0.426 4.746 4.320 0.000 0.000 0.203 384 K C -0.758 175.746 176.600 -0.161 0.000 1.102 384 K CA -0.221 55.934 56.287 -0.219 0.000 1.058 384 K CB 0.382 32.362 32.500 -0.867 0.000 0.779 384 K HN 0.456 nan 8.250 nan 0.000 0.483 385 S N -0.348 115.437 115.700 0.141 0.000 2.533 385 S HA 0.582 5.052 4.470 0.000 0.000 0.271 385 S C -0.704 174.009 174.600 0.188 0.000 1.143 385 S CA -0.752 57.535 58.200 0.146 0.000 0.891 385 S CB 1.292 64.497 63.200 0.008 0.000 1.105 385 S HN 0.246 nan 8.310 nan 0.000 0.468 386 c N 3.378 122.093 118.600 0.192 0.000 2.493 386 c HA 0.796 5.366 4.570 0.000 0.000 0.326 386 c C 0.006 174.135 174.090 0.065 0.000 1.200 386 c CA -0.632 55.745 56.329 0.080 0.000 1.739 386 c CB 0.821 43.343 42.510 0.020 0.000 2.300 386 c HN 0.968 nan 8.230 nan 0.000 0.500 387 M N 1.101 120.722 119.600 0.035 0.000 2.690 387 M HA 0.617 5.097 4.480 0.000 0.000 0.302 387 M C 0.769 177.080 176.300 0.019 0.000 1.234 387 M CA 0.091 55.408 55.300 0.028 0.000 0.853 387 M CB 1.776 34.383 32.600 0.012 0.000 1.748 387 M HN 0.970 nan 8.290 nan 0.000 0.469 388 G N 1.224 110.032 108.800 0.013 0.000 2.171 388 G HA2 -0.160 3.800 3.960 0.000 0.000 0.238 388 G HA3 -0.160 3.800 3.960 0.000 0.000 0.238 388 G C -0.959 173.958 174.900 0.029 0.000 1.039 388 G CA -0.493 44.611 45.100 0.007 0.000 0.759 388 G HN 0.409 nan 8.290 nan 0.000 0.501 389 L N -0.031 121.228 121.223 0.061 0.000 2.375 389 L HA 0.643 4.983 4.340 0.000 0.000 0.271 389 L C 0.870 177.828 176.870 0.147 0.000 1.107 389 L CA -0.017 54.883 54.840 0.100 0.000 0.806 389 L CB 1.038 43.182 42.059 0.141 0.000 1.146 389 L HN 0.250 nan 8.230 nan 0.000 0.447 390 K N 1.886 122.369 120.400 0.137 0.000 2.245 390 K HA 0.546 4.866 4.320 0.000 0.000 0.234 390 K C -0.727 175.940 176.600 0.112 0.000 1.021 390 K CA -1.102 55.286 56.287 0.170 0.000 0.898 390 K CB 1.079 33.637 32.500 0.097 0.000 1.163 390 K HN 0.241 nan 8.250 nan 0.000 0.459 391 I N 1.945 122.515 120.570 -0.001 0.000 2.668 391 I HA -0.038 4.132 4.170 0.000 0.000 0.285 391 I C 1.354 177.458 176.117 -0.021 0.000 1.168 391 I CA 1.339 62.563 61.300 -0.126 0.000 1.424 391 I CB -0.405 37.486 38.000 -0.181 0.000 1.377 391 I HN 1.079 nan 8.210 nan 0.000 0.560 392 G N 5.392 114.188 108.800 -0.008 0.000 2.232 392 G HA2 -0.192 3.768 3.960 0.000 0.000 0.226 392 G HA3 -0.192 3.768 3.960 0.000 0.000 0.226 392 G C 0.147 175.065 174.900 0.030 0.000 0.996 392 G CA -0.392 44.716 45.100 0.014 0.000 0.626 392 G HN 0.513 nan 8.290 nan 0.000 0.509 393 D N 1.504 121.929 120.400 0.042 0.000 2.372 393 D HA 0.550 5.190 4.640 0.000 0.000 0.243 393 D C 0.393 176.722 176.300 0.049 0.000 1.121 393 D CA 0.904 54.929 54.000 0.043 0.000 0.898 393 D CB 1.129 41.960 40.800 0.052 0.000 1.202 393 D HN 0.159 nan 8.370 nan 0.000 0.428 394 T N 0.574 115.144 114.554 0.026 0.000 2.861 394 T HA 0.570 4.920 4.350 0.000 0.000 0.287 394 T C -0.076 174.611 174.700 -0.023 0.000 1.003 394 T CA -0.777 61.333 62.100 0.016 0.000 0.977 394 T CB 1.468 70.343 68.868 0.012 0.000 0.996 394 T HN 0.210 nan 8.240 nan 0.000 0.448 395 V N -0.416 119.469 119.914 -0.048 0.000 3.113 395 V HA 1.005 5.125 4.120 0.000 0.000 0.316 395 V C -0.364 175.606 176.094 -0.207 0.000 1.125 395 V CA -0.967 61.237 62.300 -0.160 0.000 1.026 395 V CB 1.962 33.652 31.823 -0.221 0.000 1.080 395 V HN 0.849 nan 8.190 nan 0.000 0.444 396 S N 0.289 115.748 115.700 -0.402 0.000 2.548 396 S HA 0.853 5.323 4.470 0.000 0.000 0.276 396 S C -1.642 172.646 174.600 -0.519 0.000 1.129 396 S CA -0.408 57.621 58.200 -0.286 0.000 0.931 396 S CB 1.137 64.253 63.200 -0.139 0.000 1.068 396 S HN 0.632 nan 8.310 nan 0.000 0.480 397 F N 1.875 121.830 119.950 0.009 0.000 2.540 397 F HA 0.577 5.104 4.527 0.000 0.000 0.317 397 F C 0.458 176.263 175.800 0.009 0.000 1.104 397 F CA -0.734 57.282 58.000 0.026 0.000 0.913 397 F CB 2.303 41.338 39.000 0.058 0.000 1.170 397 F HN 0.492 nan 8.300 nan 0.000 0.450 398 S N 3.261 119.054 115.700 0.156 0.000 2.429 398 S HA 0.744 5.214 4.470 0.000 0.000 0.302 398 S C -0.795 173.748 174.600 -0.096 0.000 1.115 398 S CA -0.391 57.809 58.200 -0.000 0.000 1.095 398 S CB -0.015 63.171 63.200 -0.024 0.000 0.987 398 S HN 0.412 nan 8.310 nan 0.000 0.474 399 I N 3.932 124.262 120.570 -0.400 0.000 2.412 399 I HA 0.501 4.671 4.170 0.000 0.000 0.296 399 I C 0.157 175.781 176.117 -0.821 0.000 0.987 399 I CA -0.294 60.595 61.300 -0.684 0.000 1.180 399 I CB 1.788 39.283 38.000 -0.841 0.000 1.340 399 I HN 0.601 nan 8.210 nan 0.000 0.455 400 E N 4.288 124.159 120.200 -0.547 0.000 2.199 400 E HA 0.784 5.134 4.350 0.000 0.000 0.265 400 E C -1.470 175.004 176.600 -0.210 0.000 0.882 400 E CA -0.885 55.329 56.400 -0.311 0.000 0.759 400 E CB 1.523 31.106 29.700 -0.194 0.000 1.148 400 E HN 0.748 nan 8.360 nan 0.000 0.412 401 A N 4.798 127.609 122.820 -0.015 0.000 2.318 401 A HA 0.493 4.813 4.320 0.000 0.000 0.324 401 A C -0.805 176.796 177.584 0.029 0.000 1.170 401 A CA -0.669 51.386 52.037 0.030 0.000 0.810 401 A CB 0.975 20.102 19.000 0.211 0.000 1.198 401 A HN 0.553 nan 8.150 nan 0.000 0.484 402 K N 2.723 123.118 120.400 -0.007 0.000 2.413 402 K HA 0.512 4.832 4.320 0.000 0.000 0.257 402 K C -1.159 175.460 176.600 0.031 0.000 0.946 402 K CA -0.456 55.838 56.287 0.013 0.000 0.823 402 K CB 1.771 34.263 32.500 -0.013 0.000 1.109 402 K HN 0.555 nan 8.250 nan 0.000 0.427 403 V N 4.649 124.611 119.914 0.080 0.000 2.649 403 V HA 0.280 4.400 4.120 0.000 0.000 0.292 403 V C -0.234 175.866 176.094 0.009 0.000 1.055 403 V CA -0.391 61.962 62.300 0.089 0.000 1.023 403 V CB 1.090 33.051 31.823 0.230 0.000 0.992 403 V HN 0.800 nan 8.190 nan 0.000 0.480 404 R N 5.219 125.696 120.500 -0.038 0.000 2.235 404 R HA 0.532 4.872 4.340 0.000 0.000 0.338 404 R C 0.698 176.947 176.300 -0.084 0.000 1.087 404 R CA 0.788 56.856 56.100 -0.053 0.000 0.948 404 R CB 0.010 30.277 30.300 -0.055 0.000 1.099 404 R HN 1.290 nan 8.270 nan 0.000 0.483 405 G N 2.678 111.441 108.800 -0.063 0.000 2.550 405 G HA2 -0.347 3.613 3.960 0.000 0.000 0.277 405 G HA3 -0.347 3.613 3.960 0.000 0.000 0.277 405 G C -0.800 174.032 174.900 -0.114 0.000 1.190 405 G CA 0.070 45.126 45.100 -0.074 0.000 0.971 405 G HN 0.789 nan 8.290 nan 0.000 0.559 406 c N 3.157 121.669 118.600 -0.147 0.000 2.383 406 c HA 0.772 5.342 4.570 0.000 0.000 0.330 406 c C -2.144 171.787 174.090 -0.265 0.000 1.168 406 c CA -0.731 55.476 56.329 -0.203 0.000 1.374 406 c CB 0.561 43.011 42.510 -0.101 0.000 2.014 406 c HN 0.821 nan 8.230 nan 0.000 0.439 407 P HA 0.375 nan 4.420 nan 0.000 0.279 407 P C 0.172 177.344 177.300 -0.213 0.000 1.252 407 P CA -0.174 62.711 63.100 -0.359 0.000 0.811 407 P CB 0.757 32.140 31.700 -0.529 0.000 1.035 408 Q N 0.036 119.764 119.800 -0.120 0.000 2.435 408 Q HA -0.074 4.266 4.340 0.000 0.000 0.207 408 Q C 1.416 177.405 176.000 -0.018 0.000 0.956 408 Q CA 0.688 56.457 55.803 -0.057 0.000 0.917 408 Q CB 0.202 28.914 28.738 -0.043 0.000 0.997 408 Q HN 0.534 nan 8.270 nan 0.000 0.497 409 E N 0.796 120.988 120.200 -0.013 0.000 2.047 409 E HA -0.173 4.177 4.350 0.000 0.000 0.191 409 E C 0.690 177.360 176.600 0.116 0.000 0.987 409 E CA 0.777 57.207 56.400 0.050 0.000 0.799 409 E CB 0.231 29.972 29.700 0.068 0.000 0.752 409 E HN 0.125 nan 8.360 nan 0.000 0.449 410 K N -0.837 119.697 120.400 0.224 0.000 3.575 410 K HA -0.177 4.143 4.320 0.000 0.000 0.272 410 K C -0.093 176.671 176.600 0.273 0.000 1.019 410 K CA 1.300 57.782 56.287 0.326 0.000 1.123 410 K CB -1.105 31.480 32.500 0.143 0.000 1.364 410 K HN 0.291 nan 8.250 nan 0.000 0.482 411 E N 0.645 120.960 120.200 0.192 0.000 2.528 411 E HA 0.281 4.631 4.350 0.000 0.000 0.277 411 E C -0.870 175.781 176.600 0.086 0.000 0.980 411 E CA -0.296 56.144 56.400 0.066 0.000 0.796 411 E CB 1.577 31.287 29.700 0.016 0.000 1.427 411 E HN 0.068 nan 8.360 nan 0.000 0.394 412 K N 0.748 121.205 120.400 0.096 0.000 2.306 412 K HA 0.675 4.995 4.320 0.000 0.000 0.236 412 K C -0.498 176.145 176.600 0.071 0.000 1.013 412 K CA -0.875 55.485 56.287 0.122 0.000 0.857 412 K CB 2.034 34.673 32.500 0.232 0.000 1.214 412 K HN 0.450 nan 8.250 nan 0.000 0.449 413 S N 0.343 116.104 115.700 0.102 0.000 2.541 413 S HA 0.727 5.197 4.470 0.000 0.000 0.271 413 S C -0.936 173.764 174.600 0.167 0.000 1.133 413 S CA -1.004 57.229 58.200 0.055 0.000 0.876 413 S CB 0.748 63.921 63.200 -0.046 0.000 1.105 413 S HN 0.597 nan 8.310 nan 0.000 0.470 414 F N -1.049 118.895 119.950 -0.010 0.000 2.675 414 F HA 0.939 5.466 4.527 0.000 0.000 0.324 414 F C -0.856 174.949 175.800 0.008 0.000 1.106 414 F CA -0.924 57.083 58.000 0.012 0.000 0.970 414 F CB 1.282 40.302 39.000 0.033 0.000 1.385 414 F HN 0.533 nan 8.300 nan 0.000 0.489 415 T N 2.053 116.698 114.554 0.152 0.000 2.861 415 T HA 0.612 4.962 4.350 0.000 0.000 0.287 415 T C -0.753 174.052 174.700 0.174 0.000 1.003 415 T CA -0.447 61.675 62.100 0.035 0.000 0.977 415 T CB 1.592 70.479 68.868 0.032 0.000 0.996 415 T HN 0.546 nan 8.240 nan 0.000 0.448 416 I N 2.972 123.609 120.570 0.112 0.000 2.362 416 I HA 0.500 4.670 4.170 0.000 0.000 0.289 416 I C -0.025 176.115 176.117 0.039 0.000 0.994 416 I CA -0.693 60.691 61.300 0.140 0.000 1.158 416 I CB 1.344 39.474 38.000 0.217 0.000 1.315 416 I HN 0.329 nan 8.210 nan 0.000 0.451 417 K N 8.498 128.901 120.400 0.006 0.000 2.443 417 K HA 0.566 4.886 4.320 0.000 0.000 0.252 417 K C -2.882 173.675 176.600 -0.072 0.000 0.933 417 K CA -1.740 54.538 56.287 -0.015 0.000 0.792 417 K CB 2.663 35.178 32.500 0.025 0.000 1.185 417 K HN 0.117 nan 8.250 nan 0.000 0.425 418 P HA 0.043 nan 4.420 nan 0.000 0.276 418 P C -0.637 176.688 177.300 0.042 0.000 1.230 418 P CA -0.550 62.441 63.100 -0.182 0.000 0.776 418 P CB 0.885 32.230 31.700 -0.592 0.000 0.888 419 V N 3.581 123.521 119.914 0.044 0.000 2.493 419 V HA 0.232 4.352 4.120 0.000 0.000 0.292 419 V C 1.744 177.976 176.094 0.230 0.000 1.016 419 V CA 1.925 64.286 62.300 0.102 0.000 1.097 419 V CB -0.602 31.250 31.823 0.048 0.000 0.947 419 V HN 1.048 nan 8.190 nan 0.000 0.479 420 G N 4.498 113.410 108.800 0.186 0.000 2.217 420 G HA2 -0.248 3.712 3.960 0.000 0.000 0.246 420 G HA3 -0.248 3.712 3.960 0.000 0.000 0.246 420 G C -0.122 174.849 174.900 0.117 0.000 0.990 420 G CA -0.213 44.972 45.100 0.143 0.000 0.627 420 G HN 0.506 nan 8.290 nan 0.000 0.522 421 F N 1.254 121.218 119.950 0.023 0.000 2.404 421 F HA 0.574 5.101 4.527 0.000 0.000 0.339 421 F C 1.595 177.406 175.800 0.018 0.000 1.105 421 F CA -0.619 57.396 58.000 0.025 0.000 1.087 421 F CB 1.469 40.484 39.000 0.026 0.000 1.143 421 F HN -0.097 nan 8.300 nan 0.000 0.491 422 K N 0.451 120.938 120.400 0.146 0.000 2.148 422 K HA -0.075 4.245 4.320 0.000 0.000 0.204 422 K C -0.151 176.517 176.600 0.113 0.000 1.050 422 K CA 0.879 57.224 56.287 0.098 0.000 0.942 422 K CB -0.188 32.344 32.500 0.053 0.000 0.724 422 K HN 0.637 nan 8.250 nan 0.000 0.446 423 D N 0.782 121.279 120.400 0.162 0.000 2.368 423 D HA 0.089 4.729 4.640 0.000 0.000 0.240 423 D C 0.021 176.372 176.300 0.086 0.000 1.169 423 D CA 0.351 54.425 54.000 0.122 0.000 0.906 423 D CB 0.871 41.765 40.800 0.156 0.000 1.187 423 D HN 0.107 nan 8.370 nan 0.000 0.435 424 S N 0.129 115.856 115.700 0.044 0.000 2.587 424 S HA 0.504 4.974 4.470 0.000 0.000 0.269 424 S C -1.806 172.792 174.600 -0.003 0.000 1.154 424 S CA -1.132 57.079 58.200 0.017 0.000 0.824 424 S CB 0.907 64.117 63.200 0.016 0.000 1.118 424 S HN 0.336 nan 8.310 nan 0.000 0.462 425 L N 1.865 123.080 121.223 -0.013 0.000 2.280 425 L HA 0.649 4.989 4.340 0.000 0.000 0.287 425 L C -1.121 175.677 176.870 -0.120 0.000 1.023 425 L CA -0.776 54.037 54.840 -0.046 0.000 0.819 425 L CB 0.450 42.509 42.059 -0.000 0.000 1.212 425 L HN 0.777 nan 8.230 nan 0.000 0.420 426 I N 6.076 126.552 120.570 -0.156 0.000 2.312 426 I HA 0.261 4.431 4.170 0.000 0.000 0.291 426 I C -0.499 175.399 176.117 -0.365 0.000 1.031 426 I CA -0.556 60.603 61.300 -0.234 0.000 1.293 426 I CB 1.319 39.225 38.000 -0.155 0.000 1.403 426 I HN 0.278 nan 8.210 nan 0.000 0.484 427 V N 7.166 126.696 119.914 -0.640 0.000 2.370 427 V HA 0.222 4.342 4.120 0.000 0.000 0.279 427 V C -0.006 175.741 176.094 -0.578 0.000 1.029 427 V CA -0.566 61.276 62.300 -0.764 0.000 0.870 427 V CB 1.290 32.363 31.823 -1.249 0.000 0.984 427 V HN 0.673 nan 8.190 nan 0.000 0.451 428 Q N 3.785 123.368 119.800 -0.362 0.000 2.368 428 Q HA 0.503 4.843 4.340 0.000 0.000 0.256 428 Q C -0.945 174.921 176.000 -0.223 0.000 0.980 428 Q CA -0.428 55.234 55.803 -0.234 0.000 0.887 428 Q CB 2.149 30.779 28.738 -0.179 0.000 1.221 428 Q HN 0.588 nan 8.270 nan 0.000 0.458 429 V N 3.053 122.852 119.914 -0.193 0.000 2.394 429 V HA 0.333 4.453 4.120 0.000 0.000 0.282 429 V C 0.092 175.903 176.094 -0.471 0.000 1.031 429 V CA -0.376 61.735 62.300 -0.316 0.000 0.881 429 V CB 1.626 33.280 31.823 -0.281 0.000 0.982 429 V HN 0.736 nan 8.190 nan 0.000 0.451 430 T N 5.355 119.619 114.554 -0.484 0.000 2.895 430 T HA 0.658 5.008 4.350 0.000 0.000 0.283 430 T C -0.682 173.664 174.700 -0.589 0.000 1.014 430 T CA -0.120 61.729 62.100 -0.418 0.000 1.037 430 T CB 0.971 69.722 68.868 -0.195 0.000 1.006 430 T HN 0.318 nan 8.240 nan 0.000 0.468 431 F N 1.627 121.569 119.950 -0.013 0.000 2.375 431 F HA 0.338 4.865 4.527 0.000 0.000 0.361 431 F C 0.415 176.200 175.800 -0.026 0.000 1.117 431 F CA -1.051 56.938 58.000 -0.017 0.000 1.037 431 F CB 1.108 40.100 39.000 -0.014 0.000 1.192 431 F HN 0.443 nan 8.300 nan 0.000 0.452 432 D N 2.863 123.329 120.400 0.110 0.000 2.499 432 D HA 0.269 4.909 4.640 0.000 0.000 0.225 432 D C 0.082 176.404 176.300 0.036 0.000 1.124 432 D CA -0.070 53.955 54.000 0.042 0.000 0.938 432 D CB 0.372 41.170 40.800 -0.004 0.000 1.014 432 D HN 0.555 nan 8.370 nan 0.000 0.517 433 c N 2.267 120.888 118.600 0.035 0.000 2.912 433 c HA 0.233 4.803 4.570 0.000 0.000 0.274 433 c C 0.573 174.647 174.090 -0.027 0.000 1.248 433 c CA -0.372 55.960 56.329 0.006 0.000 1.694 433 c CB -0.551 41.961 42.510 0.003 0.000 2.024 433 c HN 0.523 nan 8.230 nan 0.000 0.605 434 D N -0.421 119.962 120.400 -0.029 0.000 2.437 434 D HA 0.402 5.042 4.640 0.000 0.000 0.259 434 D C -0.375 175.892 176.300 -0.055 0.000 1.118 434 D CA -0.089 53.879 54.000 -0.054 0.000 1.017 434 D CB 0.857 41.629 40.800 -0.046 0.000 1.120 434 D HN 0.190 nan 8.370 nan 0.000 0.541 435 c N -0.037 118.517 118.600 -0.076 0.000 2.399 435 c HA 0.601 5.171 4.570 0.000 0.000 0.348 435 c C 1.809 175.874 174.090 -0.041 0.000 1.183 435 c CA -0.542 55.751 56.329 -0.059 0.000 2.023 435 c CB 1.013 43.463 42.510 -0.100 0.000 2.361 435 c HN 0.758 nan 8.230 nan 0.000 0.521 436 A N 0.432 123.243 122.820 -0.015 0.000 2.019 436 A HA -0.149 4.171 4.320 0.000 0.000 0.219 436 A C 1.908 179.486 177.584 -0.011 0.000 1.164 436 A CA 2.162 54.194 52.037 -0.007 0.000 0.644 436 A CB -0.850 18.155 19.000 0.009 0.000 0.805 436 A HN 1.130 nan 8.150 nan 0.000 0.449 437 c N -1.419 117.173 118.600 -0.014 0.000 2.472 437 c HA 0.052 4.622 4.570 0.000 0.000 0.278 437 c C 2.262 176.324 174.090 -0.047 0.000 1.447 437 c CA 0.513 56.830 56.329 -0.019 0.000 1.773 437 c CB -1.664 40.843 42.510 -0.005 0.000 1.793 437 c HN 0.636 nan 8.230 nan 0.000 0.544 438 Q N 1.585 121.346 119.800 -0.064 0.000 2.224 438 Q HA -0.014 4.326 4.340 0.000 0.000 0.203 438 Q C 2.607 178.583 176.000 -0.040 0.000 0.970 438 Q CA 1.497 57.259 55.803 -0.069 0.000 0.865 438 Q CB -0.237 28.452 28.738 -0.082 0.000 0.922 438 Q HN 0.850 nan 8.270 nan 0.000 0.445 439 A N 0.949 123.753 122.820 -0.027 0.000 1.902 439 A HA -0.168 4.152 4.320 0.000 0.000 0.217 439 A C 1.124 178.703 177.584 -0.008 0.000 1.181 439 A CA 0.981 53.009 52.037 -0.015 0.000 0.623 439 A CB -0.138 18.856 19.000 -0.010 0.000 0.818 439 A HN 0.205 nan 8.150 nan 0.000 0.443 440 Q N 0.006 119.803 119.800 -0.006 0.000 2.837 440 Q HA 0.576 4.916 4.340 0.000 0.000 0.235 440 Q C 0.995 176.998 176.000 0.004 0.000 1.348 440 Q CA 0.406 56.212 55.803 0.005 0.000 0.990 440 Q CB 0.358 29.103 28.738 0.012 0.000 1.570 440 Q HN 0.511 nan 8.270 nan 0.000 0.575 441 A N 2.098 124.922 122.820 0.006 0.000 1.872 441 A HA -0.114 4.206 4.320 0.000 0.000 0.214 441 A C 0.288 177.899 177.584 0.045 0.000 1.187 441 A CA 0.535 52.577 52.037 0.009 0.000 0.614 441 A CB -0.020 18.984 19.000 0.007 0.000 0.826 441 A HN 0.720 nan 8.150 nan 0.000 0.442 442 E N -1.610 118.622 120.200 0.053 0.000 2.414 442 E HA -0.158 4.192 4.350 0.000 0.000 0.173 442 E C -1.927 174.724 176.600 0.085 0.000 1.551 442 E CA 0.187 56.632 56.400 0.076 0.000 0.661 442 E CB -1.352 28.423 29.700 0.125 0.000 1.108 442 E HN 0.403 nan 8.360 nan 0.000 0.365 443 P HA -0.209 nan 4.420 nan 0.000 0.218 443 P C 0.336 177.677 177.300 0.068 0.000 1.154 443 P CA 1.415 64.547 63.100 0.054 0.000 0.872 443 P CB 0.179 31.902 31.700 0.037 0.000 0.790 444 N N -1.336 117.407 118.700 0.072 0.000 2.508 444 N HA 0.029 4.769 4.740 0.000 0.000 0.264 444 N C 1.421 176.997 175.510 0.110 0.000 1.216 444 N CA 0.277 53.376 53.050 0.082 0.000 0.943 444 N CB 0.263 38.802 38.487 0.086 0.000 1.113 444 N HN 0.070 nan 8.380 nan 0.000 0.447 445 S N 1.566 117.324 115.700 0.096 0.000 2.338 445 S HA -0.197 4.273 4.470 0.000 0.000 0.218 445 S C 0.971 175.629 174.600 0.097 0.000 1.032 445 S CA 1.773 60.033 58.200 0.100 0.000 0.999 445 S CB -0.440 62.797 63.200 0.062 0.000 0.905 445 S HN 0.845 nan 8.310 nan 0.000 0.439 446 H N 0.715 119.749 119.070 -0.060 0.000 4.884 446 H HA -0.241 4.315 4.556 0.000 0.000 0.061 446 H C 1.743 176.985 175.328 -0.143 0.000 0.590 446 H CA 2.312 58.292 56.048 -0.112 0.000 0.961 446 H CB -1.268 28.396 29.762 -0.163 0.000 0.443 446 H HN 0.422 nan 8.280 nan 0.000 0.794 447 R N -0.605 119.838 120.500 -0.095 0.000 2.112 447 R HA 0.158 4.498 4.340 0.000 0.000 0.216 447 R C 2.372 178.645 176.300 -0.045 0.000 1.080 447 R CA 1.147 57.169 56.100 -0.130 0.000 0.996 447 R CB 0.064 30.198 30.300 -0.276 0.000 0.902 447 R HN 0.435 nan 8.270 nan 0.000 0.449 448 c N 0.473 119.075 118.600 0.004 0.000 2.508 448 c HA 0.092 4.662 4.570 0.000 0.000 0.280 448 c C 0.591 174.686 174.090 0.007 0.000 1.262 448 c CA -0.186 56.163 56.329 0.034 0.000 1.706 448 c CB -0.780 41.773 42.510 0.071 0.000 2.078 448 c HN 0.547 nan 8.230 nan 0.000 0.480 449 N N 1.669 120.368 118.700 -0.001 0.000 2.721 449 N HA -0.139 4.601 4.740 0.000 0.000 0.249 449 N C -0.596 174.912 175.510 -0.004 0.000 1.072 449 N CA 0.858 53.900 53.050 -0.014 0.000 0.710 449 N CB -1.671 36.790 38.487 -0.043 0.000 0.993 449 N HN 0.653 nan 8.380 nan 0.000 0.547 450 N N -0.504 118.202 118.700 0.009 0.000 2.536 450 N HA 0.306 5.046 4.740 0.000 0.000 0.286 450 N C 0.886 176.406 175.510 0.015 0.000 1.577 450 N CA 0.527 53.583 53.050 0.011 0.000 0.883 450 N CB 0.488 38.983 38.487 0.014 0.000 1.390 450 N HN 0.422 nan 8.380 nan 0.000 0.491 451 G N 0.932 109.741 108.800 0.016 0.000 2.179 451 G HA2 -0.357 3.603 3.960 0.000 0.000 0.257 451 G HA3 -0.357 3.603 3.960 0.000 0.000 0.257 451 G C 0.909 175.824 174.900 0.025 0.000 1.010 451 G CA 0.730 45.840 45.100 0.018 0.000 0.736 451 G HN 0.365 nan 8.290 nan 0.000 0.513 452 N N 0.501 119.221 118.700 0.034 0.000 2.197 452 N HA 0.418 5.158 4.740 0.000 0.000 0.184 452 N C 1.463 177.002 175.510 0.049 0.000 1.030 452 N CA 1.904 54.980 53.050 0.043 0.000 0.851 452 N CB -0.193 38.328 38.487 0.057 0.000 1.003 452 N HN 1.741 nan 8.380 nan 0.000 0.430 453 G N 0.452 109.288 108.800 0.060 0.000 2.722 453 G HA2 0.113 4.073 3.960 0.000 0.000 0.686 453 G HA3 0.113 4.073 3.960 0.000 0.000 0.686 453 G C -0.289 174.664 174.900 0.087 0.000 1.282 453 G CA 0.033 45.172 45.100 0.065 0.000 0.817 453 G HN 1.130 nan 8.290 nan 0.000 0.605 454 T N -2.400 112.216 114.554 0.104 0.000 0.541 454 T HA 0.210 4.560 4.350 0.000 0.000 0.774 454 T C -0.537 174.293 174.700 0.216 0.000 0.992 454 T CA 1.116 63.290 62.100 0.123 0.000 4.077 454 T CB -0.798 68.110 68.868 0.066 0.000 2.303 454 T HN 2.301 nan 8.240 nan 0.000 0.398 455 F N 2.918 122.885 119.950 0.027 0.000 2.941 455 F HA 0.514 5.041 4.527 0.000 0.000 0.359 455 F C -0.497 175.322 175.800 0.031 0.000 1.231 455 F CA -0.326 57.696 58.000 0.037 0.000 1.089 455 F CB 1.257 40.285 39.000 0.046 0.000 1.407 455 F HN 0.959 nan 8.300 nan 0.000 0.538 456 E N 3.176 123.156 120.200 -0.367 0.000 2.222 456 E HA 0.506 4.856 4.350 0.000 0.000 0.267 456 E C -0.007 176.388 176.600 -0.342 0.000 0.884 456 E CA -1.014 55.213 56.400 -0.289 0.000 0.764 456 E CB 1.401 31.006 29.700 -0.159 0.000 1.169 456 E HN 0.714 nan 8.360 nan 0.000 0.413 457 c N 2.652 121.124 118.600 -0.212 0.000 4.331 457 c HA -0.074 4.496 4.570 0.000 0.000 0.293 457 c C 1.221 175.325 174.090 0.023 0.000 1.436 457 c CA 0.530 56.859 56.329 -0.001 0.000 1.993 457 c CB -2.554 40.017 42.510 0.100 0.000 1.266 457 c HN 1.532 nan 8.230 nan 0.000 0.795 458 G N -1.437 107.133 108.800 -0.384 0.000 2.417 458 G HA2 0.198 4.158 3.960 0.000 0.000 0.291 458 G HA3 0.198 4.158 3.960 0.000 0.000 0.291 458 G C -0.523 174.285 174.900 -0.154 0.000 1.094 458 G CA 0.486 45.405 45.100 -0.301 0.000 1.146 458 G HN 2.176 nan 8.290 nan 0.000 0.519 459 V N 0.156 119.828 119.914 -0.404 0.000 3.108 459 V HA 0.613 4.733 4.120 0.000 0.000 0.287 459 V C 0.464 176.615 176.094 0.095 0.000 1.436 459 V CA -0.218 62.090 62.300 0.014 0.000 1.001 459 V CB 1.539 33.441 31.823 0.131 0.000 1.141 459 V HN 0.834 nan 8.190 nan 0.000 0.443 460 c N 3.849 122.571 118.600 0.204 0.000 2.590 460 c HA 0.647 5.217 4.570 0.000 0.000 0.354 460 c C 1.042 175.195 174.090 0.106 0.000 1.622 460 c CA -0.664 55.780 56.329 0.193 0.000 2.050 460 c CB 0.682 43.294 42.510 0.171 0.000 1.960 460 c HN 0.940 nan 8.230 nan 0.000 0.550 461 R N 0.000 120.552 120.500 0.086 0.000 2.786 461 R HA 0.000 4.340 4.340 0.000 0.000 0.208 461 R CA 0.000 56.132 56.100 0.053 0.000 0.921 461 R CB 0.000 30.327 30.300 0.045 0.000 0.687 461 R HN 0.000 nan 8.270 nan 0.000 0.535