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 3glh_1_J DATA FIRST_RESID 1 DATA SEQUENCE MRWYPWLRPD FEKLVASYQA GRGHHALLIQ ALPGMGDDAL IYALSRYLLC DATA SEQUENCE QQPQGHKSCG HCRGCQLMQA GTHPDYYTLA PEKGKNTLGV DAVREVTEKL DATA SEQUENCE NEHARLGGAK VVWVTDAALL TDAAANALLK TLEEPPAETW FFLATREPER DATA SEQUENCE LLATLRSRCR LHYLXPPPEQ YAVTWLSREV TMSQDALLAA LRLSAGSPGA DATA SEQUENCE ALALFQXDNW QARETLCQAL AYSVPSGDWY SLLAALNHEQ APARLHWLAT DATA SEQUENCE LLMDALKRHH GAAQVTNVDV PGLVAELANH LSPSRLQAIL GDVCHIREQL DATA SEQUENCE MSVTGINREL LITDLLLRIE HYLQPGVVLP VPHL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.162 176.300 -0.230 0.000 1.140 1 M CA 0.000 55.203 55.300 -0.162 0.000 0.988 1 M CB 0.000 32.496 32.600 -0.173 0.000 1.302 2 R N -0.041 120.242 120.500 -0.361 0.000 2.515 2 R HA 0.322 4.662 4.340 -0.000 0.000 0.291 2 R C -1.296 174.546 176.300 -0.764 0.000 1.046 2 R CA -0.390 55.450 56.100 -0.434 0.000 0.914 2 R CB 1.705 31.818 30.300 -0.311 0.000 1.191 2 R HN 0.413 nan 8.270 nan 0.000 0.435 3 W N 5.142 126.077 121.300 -0.607 0.000 2.605 3 W HA 0.128 4.788 4.660 -0.000 0.000 0.327 3 W C -0.519 175.647 176.519 -0.588 0.000 1.332 3 W CA 0.260 57.251 57.345 -0.590 0.000 1.403 3 W CB 0.055 29.276 29.460 -0.398 0.000 1.452 3 W HN 0.416 nan 8.180 nan 0.000 0.503 4 Y N 7.362 127.068 120.300 -0.990 0.000 2.316 4 Y HA 0.200 4.750 4.550 -0.000 0.000 0.324 4 Y C -0.600 174.273 175.900 -1.711 0.000 1.267 4 Y CA -2.628 54.599 58.100 -1.455 0.000 1.311 4 Y CB -0.189 36.832 38.460 -2.398 0.000 1.267 4 Y HN 0.313 nan 8.280 nan 0.000 0.516 5 P HA -0.151 nan 4.420 nan 0.000 0.219 5 P C 0.844 177.803 177.300 -0.568 0.000 1.150 5 P CA 1.787 64.454 63.100 -0.721 0.000 0.814 5 P CB -0.102 31.422 31.700 -0.293 0.000 0.787 6 W N -0.022 121.009 121.300 -0.448 0.000 2.595 6 W HA 0.146 4.806 4.660 -0.000 0.000 0.257 6 W C 1.613 177.948 176.519 -0.306 0.000 1.267 6 W CA 0.027 57.179 57.345 -0.322 0.000 1.300 6 W CB -1.824 27.446 29.460 -0.317 0.000 1.120 6 W HN -0.245 nan 8.180 nan 0.000 0.618 7 L N 1.896 122.729 121.223 -0.650 0.000 2.551 7 L HA -0.017 4.323 4.340 -0.000 0.000 0.228 7 L C 2.840 179.572 176.870 -0.229 0.000 1.153 7 L CA 1.058 55.628 54.840 -0.451 0.000 0.851 7 L CB -0.628 40.926 42.059 -0.842 0.000 0.959 7 L HN 0.209 nan 8.230 nan 0.000 0.451 8 R N 0.286 120.615 120.500 -0.285 0.000 2.055 8 R HA -0.052 4.288 4.340 -0.000 0.000 0.228 8 R C -0.600 175.793 176.300 0.156 0.000 1.143 8 R CA 0.636 56.762 56.100 0.043 0.000 0.945 8 R CB -2.232 28.088 30.300 0.034 0.000 0.841 8 R HN 0.118 nan 8.270 nan 0.000 0.429 9 P HA -0.154 nan 4.420 nan 0.000 0.217 9 P C 0.142 177.515 177.300 0.122 0.000 1.151 9 P CA 1.802 64.959 63.100 0.095 0.000 0.849 9 P CB -0.090 31.650 31.700 0.067 0.000 0.787 10 D N -1.794 118.696 120.400 0.149 0.000 2.123 10 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 10 D C 1.562 177.948 176.300 0.143 0.000 0.976 10 D CA 0.777 54.895 54.000 0.197 0.000 0.831 10 D CB -1.158 39.798 40.800 0.260 0.000 0.974 10 D HN 0.127 nan 8.370 nan 0.000 0.469 11 F N 1.611 121.576 119.950 0.026 0.000 2.269 11 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 11 F C 2.048 177.823 175.800 -0.042 0.000 1.082 11 F CA 1.151 59.150 58.000 -0.003 0.000 1.360 11 F CB 0.110 39.201 39.000 0.152 0.000 1.041 11 F HN -0.085 nan 8.300 nan 0.000 0.512 12 E N 0.874 121.190 120.200 0.194 0.000 2.015 12 E HA -0.302 4.048 4.350 -0.000 0.000 0.191 12 E C 2.154 178.715 176.600 -0.065 0.000 0.991 12 E CA 1.708 58.172 56.400 0.106 0.000 0.802 12 E CB -0.183 29.596 29.700 0.132 0.000 0.759 12 E HN 0.519 nan 8.360 nan 0.000 0.447 13 K N 0.395 120.768 120.400 -0.045 0.000 2.283 13 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 13 K C 1.924 178.396 176.600 -0.214 0.000 1.048 13 K CA 1.092 57.331 56.287 -0.080 0.000 0.948 13 K CB -0.171 32.325 32.500 -0.006 0.000 0.742 13 K HN 0.192 nan 8.250 nan 0.000 0.458 14 L N 0.407 121.430 121.223 -0.334 0.000 2.395 14 L HA -0.014 4.326 4.340 -0.000 0.000 0.218 14 L C 1.932 178.189 176.870 -1.022 0.000 1.130 14 L CA 0.230 54.704 54.840 -0.610 0.000 0.826 14 L CB 0.073 41.795 42.059 -0.562 0.000 0.941 14 L HN 0.096 nan 8.230 nan 0.000 0.451 15 V N -0.701 118.702 119.914 -0.851 0.000 2.949 15 V HA 0.058 4.178 4.120 -0.000 0.000 0.245 15 V C 2.426 178.203 176.094 -0.529 0.000 1.086 15 V CA 1.115 62.861 62.300 -0.923 0.000 1.097 15 V CB 0.412 31.533 31.823 -1.170 0.000 0.762 15 V HN 0.368 nan 8.190 nan 0.000 0.470 16 A N 0.477 123.084 122.820 -0.355 0.000 2.178 16 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 16 A C 2.337 179.854 177.584 -0.111 0.000 1.157 16 A CA 2.009 53.944 52.037 -0.171 0.000 0.689 16 A CB -0.341 18.605 19.000 -0.090 0.000 0.787 16 A HN 0.686 nan 8.150 nan 0.000 0.465 17 S N -2.583 113.013 115.700 -0.173 0.000 2.497 17 S HA 0.079 4.549 4.470 -0.000 0.000 0.221 17 S C 1.449 176.136 174.600 0.145 0.000 1.037 17 S CA 0.094 58.279 58.200 -0.025 0.000 0.920 17 S CB -0.473 62.706 63.200 -0.035 0.000 0.800 17 S HN 0.416 nan 8.310 nan 0.000 0.505 18 Y N 1.990 122.226 120.300 -0.106 0.000 2.546 18 Y HA 0.363 4.913 4.550 -0.000 0.000 0.287 18 Y C 2.413 178.334 175.900 0.035 0.000 1.158 18 Y CA -0.202 57.833 58.100 -0.109 0.000 1.307 18 Y CB -0.582 37.717 38.460 -0.269 0.000 1.036 18 Y HN 0.496 nan 8.280 nan 0.000 0.532 19 Q N -0.721 119.178 119.800 0.165 0.000 2.390 19 Q HA 0.192 4.532 4.340 -0.000 0.000 0.216 19 Q C 1.757 177.821 176.000 0.106 0.000 0.916 19 Q CA 0.640 56.527 55.803 0.140 0.000 0.911 19 Q CB 0.226 29.005 28.738 0.068 0.000 1.035 19 Q HN 0.237 nan 8.270 nan 0.000 0.541 20 A N -0.658 122.217 122.820 0.092 0.000 2.345 20 A HA 0.418 4.738 4.320 -0.000 0.000 0.225 20 A C 1.304 178.955 177.584 0.112 0.000 1.243 20 A CA 0.753 52.840 52.037 0.085 0.000 0.875 20 A CB -0.086 18.950 19.000 0.060 0.000 0.929 20 A HN 0.570 nan 8.150 nan 0.000 0.502 21 G N 0.128 109.026 108.800 0.162 0.000 2.284 21 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.247 21 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.247 21 G C 1.071 176.104 174.900 0.222 0.000 1.012 21 G CA 0.338 45.552 45.100 0.190 0.000 0.618 21 G HN 0.447 nan 8.290 nan 0.000 0.521 22 R N 1.787 122.402 120.500 0.193 0.000 2.377 22 R HA 0.089 4.429 4.340 -0.000 0.000 0.207 22 R C 1.584 178.061 176.300 0.296 0.000 1.075 22 R CA 0.499 56.716 56.100 0.195 0.000 1.035 22 R CB -1.176 29.207 30.300 0.138 0.000 0.857 22 R HN 0.766 nan 8.270 nan 0.000 0.475 23 G N 0.945 110.012 108.800 0.445 0.000 2.305 23 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.243 23 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.243 23 G C -0.935 174.410 174.900 0.742 0.000 1.288 23 G CA -0.093 45.439 45.100 0.720 0.000 0.901 23 G HN 0.341 nan 8.290 nan 0.000 0.516 24 H N 1.850 121.287 119.070 0.611 0.000 2.705 24 H HA 0.177 4.733 4.556 -0.000 0.000 0.291 24 H C 1.860 177.417 175.328 0.381 0.000 1.085 24 H CA -0.770 55.506 56.048 0.380 0.000 1.357 24 H CB 0.521 30.390 29.762 0.179 0.000 1.419 24 H HN 0.741 nan 8.280 nan 0.000 0.462 25 H N 2.685 121.866 119.070 0.184 0.000 2.539 25 H HA -0.054 4.502 4.556 -0.000 0.000 0.292 25 H C -0.226 175.208 175.328 0.177 0.000 1.069 25 H CA 0.783 56.839 56.048 0.013 0.000 1.244 25 H CB -0.210 29.359 29.762 -0.322 0.000 1.365 25 H HN 0.413 nan 8.280 nan 0.000 0.575 26 A N 1.012 123.906 122.820 0.124 0.000 2.414 26 A HA 0.525 4.845 4.320 -0.000 0.000 0.286 26 A C -1.478 176.185 177.584 0.132 0.000 1.073 26 A CA -0.728 51.376 52.037 0.112 0.000 0.727 26 A CB 1.518 20.496 19.000 -0.036 0.000 1.215 26 A HN 0.185 nan 8.150 nan 0.000 0.430 27 L N 2.886 124.219 121.223 0.184 0.000 2.376 27 L HA 0.747 5.087 4.340 -0.000 0.000 0.275 27 L C -1.378 175.659 176.870 0.278 0.000 0.987 27 L CA -0.658 54.331 54.840 0.248 0.000 0.828 27 L CB 1.727 44.063 42.059 0.461 0.000 1.249 27 L HN 0.679 nan 8.230 nan 0.000 0.409 28 L N 6.249 127.587 121.223 0.192 0.000 2.298 28 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 28 L C -1.166 175.826 176.870 0.203 0.000 1.013 28 L CA 0.031 54.987 54.840 0.192 0.000 0.824 28 L CB 1.063 43.199 42.059 0.128 0.000 1.221 28 L HN 0.521 nan 8.230 nan 0.000 0.418 29 I N 4.661 125.361 120.570 0.218 0.000 2.354 29 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 29 I C -0.182 176.059 176.117 0.207 0.000 0.989 29 I CA -0.056 61.367 61.300 0.205 0.000 1.188 29 I CB 1.784 39.871 38.000 0.145 0.000 1.342 29 I HN 0.703 nan 8.210 nan 0.000 0.457 30 Q N 6.451 126.390 119.800 0.233 0.000 2.293 30 Q HA 0.917 5.257 4.340 -0.000 0.000 0.261 30 Q C -1.313 174.840 176.000 0.255 0.000 0.960 30 Q CA -0.756 55.183 55.803 0.226 0.000 0.882 30 Q CB 2.170 31.037 28.738 0.214 0.000 1.275 30 Q HN 0.733 nan 8.270 nan 0.000 0.445 31 A N 3.345 126.286 122.820 0.201 0.000 2.605 31 A HA 0.469 4.789 4.320 -0.000 0.000 0.294 31 A C -1.077 176.591 177.584 0.139 0.000 1.062 31 A CA -0.942 51.197 52.037 0.170 0.000 0.682 31 A CB 1.029 20.107 19.000 0.130 0.000 1.278 31 A HN 0.792 nan 8.150 nan 0.000 0.410 32 L N 2.191 123.480 121.223 0.111 0.000 2.479 32 L HA 0.263 4.603 4.340 -0.000 0.000 0.270 32 L C -1.556 175.364 176.870 0.084 0.000 1.236 32 L CA -1.305 53.585 54.840 0.083 0.000 0.823 32 L CB 0.188 42.275 42.059 0.047 0.000 1.098 32 L HN 0.547 nan 8.230 nan 0.000 0.500 33 P HA -0.010 nan 4.420 nan 0.000 0.270 33 P C 0.363 177.722 177.300 0.098 0.000 1.223 33 P CA 0.184 63.341 63.100 0.094 0.000 0.785 33 P CB 0.476 32.223 31.700 0.079 0.000 0.923 34 G N 2.060 110.944 108.800 0.140 0.000 2.390 34 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.299 34 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.299 34 G C 0.634 175.620 174.900 0.143 0.000 1.002 34 G CA 0.061 45.262 45.100 0.169 0.000 0.979 34 G HN 0.479 nan 8.290 nan 0.000 0.513 35 M N -0.303 119.406 119.600 0.181 0.000 2.356 35 M HA 0.284 4.764 4.480 -0.000 0.000 0.262 35 M C 1.723 178.316 176.300 0.488 0.000 1.097 35 M CA 1.018 56.422 55.300 0.174 0.000 0.991 35 M CB -0.345 32.290 32.600 0.059 0.000 1.450 35 M HN 1.406 nan 8.290 nan 0.000 0.495 36 G N 1.283 110.387 108.800 0.506 0.000 2.132 36 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.228 36 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.228 36 G C 0.588 175.623 174.900 0.226 0.000 1.000 36 G CA 0.614 46.000 45.100 0.477 0.000 0.693 36 G HN 0.416 nan 8.290 nan 0.000 0.515 37 D N 0.329 120.860 120.400 0.219 0.000 2.123 37 D HA -0.094 4.546 4.640 -0.000 0.000 0.196 37 D C 1.816 178.196 176.300 0.133 0.000 0.992 37 D CA 1.586 55.686 54.000 0.167 0.000 0.833 37 D CB -0.065 40.851 40.800 0.194 0.000 0.954 37 D HN 0.343 nan 8.370 nan 0.000 0.455 38 D N -0.232 120.268 120.400 0.166 0.000 2.120 38 D HA -0.161 4.479 4.640 -0.000 0.000 0.191 38 D C 1.887 178.173 176.300 -0.025 0.000 0.994 38 D CA 2.198 56.284 54.000 0.144 0.000 0.838 38 D CB -0.630 40.260 40.800 0.149 0.000 0.976 38 D HN 0.214 nan 8.370 nan 0.000 0.447 39 A N -0.100 122.697 122.820 -0.038 0.000 2.019 39 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 39 A C 2.201 179.819 177.584 0.056 0.000 1.164 39 A CA 1.184 53.196 52.037 -0.043 0.000 0.644 39 A CB -0.635 18.307 19.000 -0.096 0.000 0.805 39 A HN 0.371 nan 8.150 nan 0.000 0.449 40 L N -0.169 121.068 121.223 0.023 0.000 2.072 40 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 40 L C 2.112 178.905 176.870 -0.128 0.000 1.079 40 L CA 1.433 56.303 54.840 0.050 0.000 0.752 40 L CB -0.369 41.699 42.059 0.014 0.000 0.906 40 L HN 0.327 nan 8.230 nan 0.000 0.436 41 I N -1.150 119.224 120.570 -0.327 0.000 2.142 41 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 41 I C 2.509 178.309 176.117 -0.528 0.000 1.078 41 I CA 1.722 62.618 61.300 -0.674 0.000 1.343 41 I CB -1.520 35.821 38.000 -1.098 0.000 1.046 41 I HN 0.326 nan 8.210 nan 0.000 0.405 42 Y N 1.999 121.981 120.300 -0.530 0.000 2.128 42 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 42 Y C 2.679 178.480 175.900 -0.166 0.000 1.154 42 Y CA 2.326 60.250 58.100 -0.293 0.000 1.149 42 Y CB -0.213 38.097 38.460 -0.249 0.000 0.976 42 Y HN 0.144 nan 8.280 nan 0.000 0.505 43 A N -0.066 122.826 122.820 0.119 0.000 1.972 43 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 43 A C 2.277 180.006 177.584 0.242 0.000 1.169 43 A CA 1.742 53.839 52.037 0.100 0.000 0.635 43 A CB -1.003 18.002 19.000 0.008 0.000 0.810 43 A HN 0.596 nan 8.150 nan 0.000 0.446 44 L N 0.094 121.366 121.223 0.081 0.000 2.072 44 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 44 L C 3.011 179.882 176.870 0.000 0.000 1.079 44 L CA 1.475 56.273 54.840 -0.070 0.000 0.752 44 L CB -0.322 41.522 42.059 -0.357 0.000 0.906 44 L HN 0.600 nan 8.230 nan 0.000 0.436 45 S N -0.685 114.976 115.700 -0.064 0.000 2.402 45 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 45 S C 1.982 176.560 174.600 -0.037 0.000 1.021 45 S CA 0.446 58.672 58.200 0.043 0.000 0.974 45 S CB -0.340 62.942 63.200 0.137 0.000 0.800 45 S HN 0.326 nan 8.310 nan 0.000 0.484 46 R N 0.210 120.635 120.500 -0.124 0.000 2.189 46 R HA 0.031 4.371 4.340 -0.000 0.000 0.223 46 R C 1.916 178.185 176.300 -0.052 0.000 1.092 46 R CA 1.172 57.172 56.100 -0.167 0.000 0.989 46 R CB -0.933 29.241 30.300 -0.210 0.000 0.876 46 R HN 0.708 nan 8.270 nan 0.000 0.457 47 Y N 0.902 121.158 120.300 -0.073 0.000 2.286 47 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 47 Y C 1.928 177.786 175.900 -0.071 0.000 1.124 47 Y CA 1.154 59.225 58.100 -0.047 0.000 1.178 47 Y CB -0.033 38.413 38.460 -0.024 0.000 1.010 47 Y HN -0.121 nan 8.280 nan 0.000 0.536 48 L N -0.579 120.651 121.223 0.012 0.000 2.341 48 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 48 L C 0.856 177.672 176.870 -0.090 0.000 1.115 48 L CA 0.161 54.946 54.840 -0.093 0.000 0.820 48 L CB -0.087 41.875 42.059 -0.161 0.000 0.944 48 L HN 0.161 nan 8.230 nan 0.000 0.452 49 L N -0.390 120.771 121.223 -0.104 0.000 2.783 49 L HA 0.130 4.470 4.340 -0.000 0.000 0.236 49 L C 0.265 177.044 176.870 -0.151 0.000 1.225 49 L CA 0.169 54.928 54.840 -0.136 0.000 1.026 49 L CB -0.073 41.833 42.059 -0.254 0.000 1.314 49 L HN 0.167 nan 8.230 nan 0.000 0.489 50 C N -0.488 118.721 119.300 -0.152 0.000 2.319 50 C HA 0.298 4.758 4.460 -0.000 0.000 0.335 50 C C 1.766 176.698 174.990 -0.096 0.000 1.274 50 C CA -0.607 58.329 59.018 -0.136 0.000 1.806 50 C CB 0.857 28.486 27.740 -0.185 0.000 2.329 50 C HN 0.543 nan 8.230 nan 0.000 0.524 51 Q N 2.109 121.878 119.800 -0.052 0.000 2.137 51 Q HA 0.014 4.354 4.340 -0.000 0.000 0.198 51 Q C 0.260 176.237 176.000 -0.038 0.000 0.960 51 Q CA 1.362 57.149 55.803 -0.027 0.000 0.847 51 Q CB 0.004 28.742 28.738 -0.000 0.000 0.915 51 Q HN 0.813 nan 8.270 nan 0.000 0.448 52 Q N 1.318 121.093 119.800 -0.042 0.000 3.075 52 Q HA 0.287 4.627 4.340 -0.000 0.000 0.318 52 Q C -2.384 173.583 176.000 -0.055 0.000 0.907 52 Q CA -1.498 54.283 55.803 -0.038 0.000 0.882 52 Q CB 1.540 30.272 28.738 -0.010 0.000 1.386 52 Q HN 0.108 nan 8.270 nan 0.000 0.408 53 P HA -0.072 nan 4.420 nan 0.000 0.269 53 P C -0.260 177.004 177.300 -0.060 0.000 1.209 53 P CA 0.227 63.249 63.100 -0.129 0.000 0.776 53 P CB 0.994 32.530 31.700 -0.274 0.000 0.876 54 Q N 0.863 120.649 119.800 -0.023 0.000 2.246 54 Q HA 0.265 4.605 4.340 -0.000 0.000 0.202 54 Q C 1.134 177.165 176.000 0.051 0.000 0.883 54 Q CA 0.401 56.213 55.803 0.016 0.000 0.952 54 Q CB 0.431 29.183 28.738 0.023 0.000 1.078 54 Q HN 0.871 nan 8.270 nan 0.000 0.493 55 G N 0.121 108.953 108.800 0.054 0.000 2.906 55 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.196 55 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.196 55 G C 0.614 175.572 174.900 0.097 0.000 2.215 55 G CA -0.293 44.856 45.100 0.082 0.000 1.518 55 G HN 0.364 nan 8.290 nan 0.000 0.495 56 H N 0.609 119.791 119.070 0.186 0.000 2.885 56 H HA 0.361 4.917 4.556 -0.000 0.000 0.260 56 H C 0.880 176.400 175.328 0.320 0.000 0.985 56 H CA 1.240 57.432 56.048 0.241 0.000 1.210 56 H CB 1.446 31.287 29.762 0.131 0.000 1.466 56 H HN 0.294 nan 8.280 nan 0.000 0.493 57 K N -0.019 120.558 120.400 0.294 0.000 2.346 57 K HA 0.377 4.697 4.320 -0.000 0.000 0.259 57 K C -0.360 176.274 176.600 0.056 0.000 1.061 57 K CA -0.600 55.796 56.287 0.181 0.000 0.893 57 K CB 1.837 34.360 32.500 0.038 0.000 1.436 57 K HN -0.152 nan 8.250 nan 0.000 0.462 58 S N -0.737 114.955 115.700 -0.014 0.000 2.661 58 S HA 0.117 4.587 4.470 -0.000 0.000 0.265 58 S C 1.124 175.689 174.600 -0.059 0.000 1.225 58 S CA -0.220 57.940 58.200 -0.066 0.000 0.986 58 S CB 0.412 63.555 63.200 -0.096 0.000 1.008 58 S HN 0.779 nan 8.310 nan 0.000 0.565 59 C N -1.464 117.800 119.300 -0.059 0.000 2.518 59 C HA 0.588 5.048 4.460 -0.000 0.000 0.283 59 C C 1.954 176.861 174.990 -0.139 0.000 1.351 59 C CA 0.174 59.169 59.018 -0.038 0.000 1.745 59 C CB -1.369 26.394 27.740 0.037 0.000 2.107 59 C HN 1.155 nan 8.230 nan 0.000 0.502 60 G N 0.237 108.940 108.800 -0.162 0.000 2.232 60 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.226 60 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.226 60 G C 0.464 175.194 174.900 -0.284 0.000 0.996 60 G CA 0.780 45.728 45.100 -0.254 0.000 0.626 60 G HN 0.667 nan 8.290 nan 0.000 0.509 61 H N 0.174 119.224 119.070 -0.034 0.000 2.337 61 H HA 0.269 4.825 4.556 -0.000 0.000 0.311 61 H C 2.408 177.723 175.328 -0.023 0.000 1.054 61 H CA 0.667 56.700 56.048 -0.026 0.000 1.385 61 H CB -0.536 29.213 29.762 -0.022 0.000 1.437 61 H HN 0.933 nan 8.280 nan 0.000 0.553 62 C N 2.450 121.816 119.300 0.109 0.000 2.624 62 C HA -0.119 4.341 4.460 -0.000 0.000 0.396 62 C C 2.027 177.039 174.990 0.036 0.000 1.305 62 C CA -0.409 58.640 59.018 0.051 0.000 1.728 62 C CB 0.433 28.186 27.740 0.022 0.000 2.628 62 C HN 0.613 nan 8.230 nan 0.000 0.622 63 R N 2.672 123.195 120.500 0.039 0.000 2.140 63 R HA -0.124 4.216 4.340 -0.000 0.000 0.250 63 R C 2.387 178.738 176.300 0.086 0.000 1.150 63 R CA 2.239 58.369 56.100 0.049 0.000 0.966 63 R CB -0.925 29.400 30.300 0.042 0.000 0.869 63 R HN 1.003 nan 8.270 nan 0.000 0.445 64 G N 0.526 109.377 108.800 0.086 0.000 2.484 64 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.215 64 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.215 64 G C 1.544 176.415 174.900 -0.049 0.000 1.219 64 G CA 1.010 46.150 45.100 0.067 0.000 0.791 64 G HN 0.375 nan 8.290 nan 0.000 0.550 65 C N -0.037 119.223 119.300 -0.067 0.000 2.401 65 C HA -0.105 4.355 4.460 -0.000 0.000 0.276 65 C C 2.818 177.764 174.990 -0.074 0.000 1.233 65 C CA 1.340 60.300 59.018 -0.095 0.000 1.753 65 C CB -0.914 26.773 27.740 -0.088 0.000 2.029 65 C HN 0.620 nan 8.230 nan 0.000 0.478 66 Q N -0.048 119.736 119.800 -0.028 0.000 2.020 66 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 66 Q C 2.153 178.152 176.000 -0.002 0.000 0.974 66 Q CA 1.265 57.059 55.803 -0.014 0.000 0.829 66 Q CB -0.185 28.560 28.738 0.011 0.000 0.894 66 Q HN 0.652 nan 8.270 nan 0.000 0.433 67 L N 0.296 121.544 121.223 0.042 0.000 2.353 67 L HA -0.172 4.168 4.340 -0.000 0.000 0.220 67 L C 2.319 179.212 176.870 0.038 0.000 1.133 67 L CA 0.289 55.176 54.840 0.079 0.000 0.798 67 L CB -0.152 42.013 42.059 0.177 0.000 0.922 67 L HN 0.347 nan 8.230 nan 0.000 0.445 68 M N -1.010 118.558 119.600 -0.053 0.000 2.160 68 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 68 M C 2.226 178.439 176.300 -0.146 0.000 1.073 68 M CA 1.582 56.764 55.300 -0.197 0.000 1.142 68 M CB -0.268 32.165 32.600 -0.277 0.000 1.358 68 M HN 0.044 nan 8.290 nan 0.000 0.422 69 Q N -0.684 119.062 119.800 -0.090 0.000 2.291 69 Q HA 0.064 4.404 4.340 -0.000 0.000 0.205 69 Q C 1.619 177.603 176.000 -0.028 0.000 0.970 69 Q CA 1.414 57.185 55.803 -0.053 0.000 0.876 69 Q CB -0.343 28.364 28.738 -0.052 0.000 0.935 69 Q HN 0.556 nan 8.270 nan 0.000 0.455 70 A N -0.838 121.967 122.820 -0.025 0.000 2.275 70 A HA 0.382 4.702 4.320 -0.000 0.000 0.212 70 A C 1.563 179.145 177.584 -0.004 0.000 1.201 70 A CA 1.059 53.092 52.037 -0.006 0.000 0.843 70 A CB -0.077 18.925 19.000 0.003 0.000 0.873 70 A HN 0.389 nan 8.150 nan 0.000 0.492 71 G N -0.404 108.376 108.800 -0.033 0.000 4.148 71 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.221 71 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.221 71 G C 0.689 175.572 174.900 -0.029 0.000 1.373 71 G CA 0.657 45.729 45.100 -0.047 0.000 0.940 71 G HN 0.917 nan 8.290 nan 0.000 0.610 72 T N 1.865 116.433 114.554 0.023 0.000 2.831 72 T HA 0.442 4.792 4.350 -0.000 0.000 0.291 72 T C -0.073 174.676 174.700 0.080 0.000 0.981 72 T CA 1.349 63.479 62.100 0.051 0.000 1.174 72 T CB 0.751 69.641 68.868 0.036 0.000 0.929 72 T HN 0.840 nan 8.240 nan 0.000 0.532 73 H N 2.451 121.502 119.070 -0.032 0.000 2.996 73 H HA 0.385 4.941 4.556 -0.000 0.000 0.368 73 H C -2.339 172.941 175.328 -0.078 0.000 1.185 73 H CA -1.747 54.270 56.048 -0.051 0.000 1.160 73 H CB 1.903 31.622 29.762 -0.071 0.000 1.820 73 H HN 0.228 nan 8.280 nan 0.000 0.547 74 P HA 0.096 nan 4.420 nan 0.000 0.245 74 P C -0.210 176.997 177.300 -0.155 0.000 1.212 74 P CA 0.690 63.656 63.100 -0.223 0.000 0.774 74 P CB 0.522 32.082 31.700 -0.232 0.000 0.999 75 D N -3.393 117.000 120.400 -0.012 0.000 2.498 75 D HA 0.052 4.692 4.640 -0.000 0.000 0.223 75 D C -0.188 175.898 176.300 -0.358 0.000 1.125 75 D CA -0.090 53.886 54.000 -0.040 0.000 0.835 75 D CB 0.156 41.122 40.800 0.277 0.000 1.086 75 D HN 0.175 nan 8.370 nan 0.000 0.510 76 Y N 1.291 121.335 120.300 -0.428 0.000 2.326 76 Y HA 0.299 4.849 4.550 -0.000 0.000 0.337 76 Y C -1.228 174.371 175.900 -0.502 0.000 1.023 76 Y CA -0.532 57.376 58.100 -0.321 0.000 1.143 76 Y CB 0.361 38.737 38.460 -0.139 0.000 1.183 76 Y HN -0.232 nan 8.280 nan 0.000 0.485 77 Y N 3.461 123.623 120.300 -0.230 0.000 2.332 77 Y HA 0.306 4.856 4.550 -0.000 0.000 0.326 77 Y C -0.104 175.673 175.900 -0.204 0.000 0.978 77 Y CA -1.157 56.866 58.100 -0.129 0.000 1.205 77 Y CB 1.535 39.937 38.460 -0.097 0.000 1.131 77 Y HN 0.451 nan 8.280 nan 0.000 0.462 78 T N 5.228 119.807 114.554 0.042 0.000 2.723 78 T HA 0.248 4.598 4.350 -0.000 0.000 0.297 78 T C -0.003 174.680 174.700 -0.027 0.000 0.925 78 T CA -0.330 61.781 62.100 0.017 0.000 1.030 78 T CB 0.124 69.078 68.868 0.144 0.000 0.905 78 T HN 0.316 nan 8.240 nan 0.000 0.502 79 L N 4.088 125.246 121.223 -0.108 0.000 2.598 79 L HA 0.429 4.769 4.340 -0.000 0.000 0.241 79 L C 0.897 177.679 176.870 -0.147 0.000 1.244 79 L CA -0.135 54.649 54.840 -0.095 0.000 1.198 79 L CB -0.777 41.242 42.059 -0.067 0.000 1.448 79 L HN 0.708 nan 8.230 nan 0.000 0.406 80 A N 2.511 125.253 122.820 -0.130 0.000 2.371 80 A HA 0.639 4.959 4.320 -0.000 0.000 0.257 80 A C -2.002 175.539 177.584 -0.072 0.000 1.089 80 A CA -0.930 51.030 52.037 -0.129 0.000 0.794 80 A CB -0.312 18.631 19.000 -0.095 0.000 1.029 80 A HN 0.342 nan 8.150 nan 0.000 0.488 81 P HA 0.084 nan 4.420 nan 0.000 0.270 81 P C -0.583 176.705 177.300 -0.021 0.000 1.223 81 P CA -0.186 62.893 63.100 -0.035 0.000 0.785 81 P CB 0.342 32.024 31.700 -0.030 0.000 0.923 82 E N 0.771 120.964 120.200 -0.012 0.000 2.585 82 E HA -0.080 4.270 4.350 -0.000 0.000 0.252 82 E C 0.224 176.822 176.600 -0.003 0.000 0.981 82 E CA 0.215 56.612 56.400 -0.005 0.000 0.943 82 E CB 0.041 29.740 29.700 -0.002 0.000 0.923 82 E HN 0.185 nan 8.360 nan 0.000 0.486 83 K N 2.246 122.646 120.400 0.000 0.000 2.405 83 K HA -0.017 4.303 4.320 -0.000 0.000 0.276 83 K C 0.746 177.348 176.600 0.004 0.000 1.099 83 K CA 1.327 57.615 56.287 0.003 0.000 1.120 83 K CB -0.164 32.340 32.500 0.007 0.000 0.877 83 K HN 0.672 nan 8.250 nan 0.000 0.472 84 G N 3.822 112.624 108.800 0.003 0.000 2.799 84 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.200 84 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.200 84 G C -0.478 174.422 174.900 0.001 0.000 1.206 84 G CA -0.333 44.769 45.100 0.003 0.000 0.827 84 G HN 0.529 nan 8.290 nan 0.000 0.511 85 K N 0.956 121.356 120.400 -0.000 0.000 2.098 85 K HA 0.450 4.770 4.320 -0.000 0.000 0.257 85 K C 0.062 176.660 176.600 -0.003 0.000 0.999 85 K CA -0.611 55.675 56.287 -0.001 0.000 0.924 85 K CB 0.619 33.118 32.500 -0.001 0.000 1.028 85 K HN 0.143 nan 8.250 nan 0.000 0.466 86 N N 1.200 119.898 118.700 -0.003 0.000 2.362 86 N HA -0.019 4.721 4.740 -0.000 0.000 0.204 86 N C -0.135 175.373 175.510 -0.005 0.000 1.166 86 N CA 0.262 53.309 53.050 -0.004 0.000 0.831 86 N CB 0.274 38.759 38.487 -0.004 0.000 1.008 86 N HN 0.665 nan 8.380 nan 0.000 0.472 87 T N -3.090 111.461 114.554 -0.005 0.000 2.804 87 T HA 0.630 4.980 4.350 -0.000 0.000 0.290 87 T C -0.473 174.223 174.700 -0.006 0.000 1.099 87 T CA -0.832 61.265 62.100 -0.004 0.000 1.011 87 T CB 1.864 70.731 68.868 -0.002 0.000 1.291 87 T HN -0.058 nan 8.240 nan 0.000 0.523 88 L N -0.098 121.122 121.223 -0.005 0.000 2.322 88 L HA 0.839 5.179 4.340 -0.000 0.000 0.269 88 L C 0.357 177.226 176.870 -0.002 0.000 1.012 88 L CA -0.570 54.267 54.840 -0.006 0.000 0.815 88 L CB 1.625 43.679 42.059 -0.009 0.000 1.295 88 L HN 1.072 nan 8.230 nan 0.000 0.438 89 G N 0.892 109.691 108.800 -0.001 0.000 2.417 89 G HA2 0.442 4.402 3.960 -0.000 0.000 0.334 89 G HA3 0.442 4.402 3.960 -0.000 0.000 0.334 89 G C 0.555 175.457 174.900 0.003 0.000 1.150 89 G CA -0.493 44.607 45.100 0.001 0.000 0.923 89 G HN 0.531 nan 8.290 nan 0.000 0.485 90 V N 1.004 120.919 119.914 0.003 0.000 2.720 90 V HA -0.129 3.991 4.120 -0.000 0.000 0.256 90 V C 2.077 178.172 176.094 0.002 0.000 1.082 90 V CA 1.957 64.259 62.300 0.003 0.000 1.101 90 V CB -0.581 31.243 31.823 0.002 0.000 0.693 90 V HN 0.709 nan 8.190 nan 0.000 0.479 91 D N 1.651 122.052 120.400 0.001 0.000 2.084 91 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 91 D C 2.342 178.641 176.300 -0.001 0.000 0.981 91 D CA 1.551 55.551 54.000 -0.000 0.000 0.841 91 D CB -0.323 40.477 40.800 0.001 0.000 0.997 91 D HN 0.450 nan 8.370 nan 0.000 0.454 92 A N 1.560 124.381 122.820 0.000 0.000 1.903 92 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 92 A C 2.676 180.258 177.584 -0.004 0.000 1.191 92 A CA 2.141 54.177 52.037 -0.001 0.000 0.638 92 A CB -1.089 17.910 19.000 -0.001 0.000 0.823 92 A HN 0.169 nan 8.150 nan 0.000 0.451 93 V N -0.046 119.870 119.914 0.003 0.000 2.233 93 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 93 V C 2.694 178.790 176.094 0.003 0.000 1.050 93 V CA 2.144 64.451 62.300 0.013 0.000 1.010 93 V CB -0.913 30.924 31.823 0.024 0.000 0.637 93 V HN 0.472 nan 8.190 nan 0.000 0.444 94 R N 0.286 120.785 120.500 -0.002 0.000 2.103 94 R HA -0.180 4.160 4.340 -0.000 0.000 0.242 94 R C 2.142 178.430 176.300 -0.020 0.000 1.142 94 R CA 1.674 57.769 56.100 -0.009 0.000 0.960 94 R CB -0.631 29.664 30.300 -0.008 0.000 0.858 94 R HN 0.677 nan 8.270 nan 0.000 0.439 95 E N -0.049 120.138 120.200 -0.021 0.000 2.418 95 E HA -0.060 4.290 4.350 -0.000 0.000 0.197 95 E C 1.585 178.149 176.600 -0.060 0.000 1.026 95 E CA 0.605 56.988 56.400 -0.029 0.000 0.862 95 E CB 0.274 29.965 29.700 -0.014 0.000 0.799 95 E HN 0.092 nan 8.360 nan 0.000 0.518 96 V N 0.188 120.056 119.914 -0.078 0.000 3.431 96 V HA -0.074 4.046 4.120 -0.000 0.000 0.253 96 V C 2.016 178.017 176.094 -0.156 0.000 1.184 96 V CA 1.028 63.226 62.300 -0.170 0.000 1.104 96 V CB 0.315 32.038 31.823 -0.165 0.000 0.799 96 V HN 0.215 nan 8.190 nan 0.000 0.462 97 T N 1.430 115.947 114.554 -0.061 0.000 2.643 97 T HA -0.209 4.141 4.350 -0.000 0.000 0.264 97 T C 1.762 176.429 174.700 -0.056 0.000 1.045 97 T CA 2.011 64.097 62.100 -0.024 0.000 1.155 97 T CB -0.261 68.602 68.868 -0.009 0.000 0.863 97 T HN 0.806 nan 8.240 nan 0.000 0.420 98 E N 1.233 121.399 120.200 -0.056 0.000 2.338 98 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 98 E C 2.051 178.608 176.600 -0.071 0.000 1.007 98 E CA 0.840 57.206 56.400 -0.056 0.000 0.849 98 E CB -0.171 29.505 29.700 -0.040 0.000 0.774 98 E HN 0.375 nan 8.360 nan 0.000 0.506 99 K N 0.885 121.221 120.400 -0.107 0.000 2.155 99 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 99 K C 1.948 178.463 176.600 -0.143 0.000 1.052 99 K CA 0.633 56.842 56.287 -0.130 0.000 0.948 99 K CB 0.107 32.471 32.500 -0.226 0.000 0.728 99 K HN 0.191 nan 8.250 nan 0.000 0.448 100 L N 0.141 121.265 121.223 -0.166 0.000 2.446 100 L HA 0.018 4.357 4.340 -0.000 0.000 0.219 100 L C 1.172 178.001 176.870 -0.068 0.000 1.116 100 L CA 0.392 55.169 54.840 -0.105 0.000 0.844 100 L CB -0.131 41.877 42.059 -0.084 0.000 0.970 100 L HN 0.199 nan 8.230 nan 0.000 0.457 101 N N 0.235 118.889 118.700 -0.077 0.000 2.573 101 N HA -0.109 4.631 4.740 -0.000 0.000 0.187 101 N C 0.152 175.587 175.510 -0.125 0.000 1.107 101 N CA 0.363 53.359 53.050 -0.089 0.000 0.918 101 N CB 0.220 38.663 38.487 -0.074 0.000 0.966 101 N HN 0.509 nan 8.380 nan 0.000 0.448 102 E N 0.057 120.194 120.200 -0.106 0.000 2.227 102 E HA 0.196 4.546 4.350 -0.000 0.000 0.268 102 E C -0.779 175.767 176.600 -0.089 0.000 0.907 102 E CA -0.841 55.481 56.400 -0.131 0.000 0.786 102 E CB 0.888 30.562 29.700 -0.043 0.000 1.191 102 E HN 0.137 nan 8.360 nan 0.000 0.411 103 H N 0.770 119.849 119.070 0.017 0.000 3.134 103 H HA -0.056 4.500 4.556 -0.000 0.000 0.326 103 H C 0.121 175.475 175.328 0.044 0.000 1.017 103 H CA 0.843 56.905 56.048 0.024 0.000 1.359 103 H CB 0.332 30.103 29.762 0.016 0.000 1.300 103 H HN 0.649 nan 8.280 nan 0.000 0.596 104 A N 4.453 127.385 122.820 0.186 0.000 2.492 104 A HA 0.012 4.332 4.320 -0.000 0.000 0.254 104 A C 1.555 179.206 177.584 0.111 0.000 1.091 104 A CA -0.323 51.803 52.037 0.148 0.000 0.768 104 A CB 0.114 19.199 19.000 0.142 0.000 1.028 104 A HN 0.806 nan 8.150 nan 0.000 0.498 105 R N 1.527 122.076 120.500 0.082 0.000 2.139 105 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 105 R C 0.488 176.793 176.300 0.008 0.000 1.145 105 R CA 1.348 57.467 56.100 0.032 0.000 0.976 105 R CB -0.247 30.049 30.300 -0.007 0.000 0.866 105 R HN 0.653 nan 8.270 nan 0.000 0.449 106 L N -0.622 120.612 121.223 0.019 0.000 2.640 106 L HA 0.249 4.589 4.340 -0.000 0.000 0.230 106 L C 0.463 177.361 176.870 0.046 0.000 1.123 106 L CA 0.342 55.197 54.840 0.026 0.000 0.900 106 L CB 0.661 42.750 42.059 0.050 0.000 1.146 106 L HN 0.280 nan 8.230 nan 0.000 0.484 107 G N -0.249 108.584 108.800 0.054 0.000 2.438 107 G HA2 0.094 4.054 3.960 -0.000 0.000 0.272 107 G HA3 0.094 4.054 3.960 -0.000 0.000 0.272 107 G C 0.359 175.296 174.900 0.061 0.000 0.991 107 G CA 0.217 45.346 45.100 0.049 0.000 1.348 107 G HN 0.716 nan 8.290 nan 0.000 0.483 108 G N -0.190 108.662 108.800 0.086 0.000 2.586 108 G HA2 0.843 4.803 3.960 -0.000 0.000 0.105 108 G HA3 0.843 4.803 3.960 -0.000 0.000 0.105 108 G C -0.063 174.914 174.900 0.127 0.000 1.129 108 G CA 0.861 46.018 45.100 0.094 0.000 1.127 108 G HN 2.012 nan 8.290 nan 0.000 0.532 109 A N -0.332 122.587 122.820 0.166 0.000 2.295 109 A HA 0.823 5.143 4.320 -0.000 0.000 0.318 109 A C -0.640 177.090 177.584 0.243 0.000 1.134 109 A CA -0.200 51.983 52.037 0.244 0.000 0.827 109 A CB 1.102 20.345 19.000 0.405 0.000 1.136 109 A HN 0.530 nan 8.150 nan 0.000 0.493 110 K N 0.232 120.784 120.400 0.252 0.000 2.270 110 K HA 0.614 4.934 4.320 -0.000 0.000 0.255 110 K C -0.700 176.069 176.600 0.282 0.000 0.936 110 K CA -0.548 55.904 56.287 0.274 0.000 0.809 110 K CB 1.993 34.658 32.500 0.275 0.000 1.131 110 K HN 0.732 nan 8.250 nan 0.000 0.427 111 V N -1.085 118.978 119.914 0.249 0.000 2.823 111 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 111 V C -0.750 175.373 176.094 0.048 0.000 1.072 111 V CA -0.865 61.533 62.300 0.164 0.000 0.937 111 V CB 1.907 33.866 31.823 0.227 0.000 1.013 111 V HN 0.410 nan 8.190 nan 0.000 0.430 112 V N 3.018 122.829 119.914 -0.173 0.000 2.823 112 V HA 0.702 4.822 4.120 -0.000 0.000 0.312 112 V C -1.152 174.947 176.094 0.008 0.000 1.072 112 V CA -0.308 61.827 62.300 -0.276 0.000 0.937 112 V CB 2.070 33.317 31.823 -0.959 0.000 1.013 112 V HN 1.135 nan 8.190 nan 0.000 0.430 113 W N 3.688 124.910 121.300 -0.130 0.000 3.138 113 W HA 0.799 5.459 4.660 -0.000 0.000 0.331 113 W C -1.818 174.725 176.519 0.040 0.000 1.166 113 W CA -1.002 56.363 57.345 0.034 0.000 1.212 113 W CB 1.681 31.161 29.460 0.034 0.000 1.399 113 W HN 0.399 nan 8.180 nan 0.000 0.514 114 V N 5.216 125.124 119.914 -0.010 0.000 2.628 114 V HA 0.318 4.438 4.120 -0.000 0.000 0.306 114 V C 0.756 176.582 176.094 -0.446 0.000 1.045 114 V CA -0.253 61.925 62.300 -0.204 0.000 0.905 114 V CB 1.635 33.484 31.823 0.044 0.000 0.997 114 V HN 0.733 nan 8.190 nan 0.000 0.436 115 T N 1.297 115.581 114.554 -0.449 0.000 2.701 115 T HA -0.061 4.289 4.350 -0.000 0.000 0.263 115 T C 0.417 175.085 174.700 -0.052 0.000 1.040 115 T CA 1.531 63.428 62.100 -0.337 0.000 1.147 115 T CB -0.057 68.659 68.868 -0.254 0.000 0.865 115 T HN 0.754 nan 8.240 nan 0.000 0.426 116 D N -0.927 119.458 120.400 -0.026 0.000 2.591 116 D HA 0.443 5.083 4.640 -0.000 0.000 0.222 116 D C 0.219 176.539 176.300 0.033 0.000 1.360 116 D CA -0.238 53.785 54.000 0.038 0.000 0.967 116 D CB 1.439 42.260 40.800 0.036 0.000 1.456 116 D HN 0.106 nan 8.370 nan 0.000 0.588 117 A N 2.639 125.496 122.820 0.062 0.000 2.119 117 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 117 A C 1.782 179.392 177.584 0.044 0.000 1.153 117 A CA 1.462 53.534 52.037 0.058 0.000 0.692 117 A CB -0.009 19.041 19.000 0.083 0.000 0.799 117 A HN 0.537 nan 8.150 nan 0.000 0.458 118 A N -0.765 122.081 122.820 0.043 0.000 2.235 118 A HA 0.368 4.688 4.320 -0.000 0.000 0.208 118 A C 1.485 179.081 177.584 0.021 0.000 1.172 118 A CA 0.468 52.524 52.037 0.032 0.000 0.786 118 A CB -0.400 18.620 19.000 0.034 0.000 0.804 118 A HN 0.457 nan 8.150 nan 0.000 0.479 119 L N 0.126 121.359 121.223 0.018 0.000 2.693 119 L HA 0.271 4.611 4.340 -0.000 0.000 0.235 119 L C 0.705 177.579 176.870 0.006 0.000 1.127 119 L CA -0.286 54.559 54.840 0.009 0.000 0.914 119 L CB -0.197 41.864 42.059 0.004 0.000 1.193 119 L HN 0.479 nan 8.230 nan 0.000 0.502 120 L N -1.797 119.432 121.223 0.010 0.000 2.456 120 L HA 0.445 4.785 4.340 -0.000 0.000 0.257 120 L C -0.003 176.872 176.870 0.008 0.000 1.162 120 L CA -0.337 54.508 54.840 0.009 0.000 0.808 120 L CB 0.380 42.448 42.059 0.015 0.000 1.136 120 L HN -0.131 nan 8.230 nan 0.000 0.466 121 T N 1.159 115.717 114.554 0.006 0.000 2.919 121 T HA 0.038 4.388 4.350 -0.000 0.000 0.302 121 T C 0.822 175.526 174.700 0.007 0.000 1.031 121 T CA -0.252 61.851 62.100 0.005 0.000 1.127 121 T CB 0.736 69.606 68.868 0.003 0.000 0.952 121 T HN 0.622 nan 8.240 nan 0.000 0.540 122 D N 2.268 122.672 120.400 0.005 0.000 2.158 122 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 122 D C 2.160 178.463 176.300 0.005 0.000 0.995 122 D CA 1.448 55.451 54.000 0.005 0.000 0.846 122 D CB -0.371 40.431 40.800 0.003 0.000 0.941 122 D HN 0.659 nan 8.370 nan 0.000 0.456 123 A N 0.978 123.801 122.820 0.004 0.000 1.969 123 A HA 0.078 4.397 4.320 -0.000 0.000 0.218 123 A C 2.328 179.915 177.584 0.005 0.000 1.169 123 A CA 1.726 53.764 52.037 0.003 0.000 0.635 123 A CB -0.515 18.486 19.000 0.001 0.000 0.810 123 A HN 0.238 nan 8.150 nan 0.000 0.445 124 A N -0.130 122.694 122.820 0.007 0.000 2.019 124 A HA 0.202 4.522 4.320 -0.000 0.000 0.219 124 A C 2.390 179.983 177.584 0.015 0.000 1.164 124 A CA 1.822 53.866 52.037 0.011 0.000 0.644 124 A CB -0.752 18.255 19.000 0.011 0.000 0.805 124 A HN 0.897 nan 8.150 nan 0.000 0.449 125 A N 0.510 123.338 122.820 0.014 0.000 1.841 125 A HA -0.179 4.141 4.320 -0.000 0.000 0.214 125 A C 2.003 179.593 177.584 0.010 0.000 1.195 125 A CA 1.491 53.537 52.037 0.016 0.000 0.611 125 A CB -0.706 18.302 19.000 0.014 0.000 0.835 125 A HN 0.609 nan 8.150 nan 0.000 0.443 126 N N 0.360 119.063 118.700 0.004 0.000 2.069 126 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 126 N C 1.964 177.472 175.510 -0.004 0.000 1.031 126 N CA 1.451 54.500 53.050 -0.001 0.000 0.852 126 N CB -0.349 38.136 38.487 -0.002 0.000 1.018 126 N HN 0.471 nan 8.380 nan 0.000 0.423 127 A N 1.118 123.938 122.820 -0.000 0.000 2.084 127 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 127 A C 2.129 179.714 177.584 0.001 0.000 1.161 127 A CA 1.021 53.057 52.037 -0.001 0.000 0.653 127 A CB -0.388 18.614 19.000 0.003 0.000 0.802 127 A HN 0.233 nan 8.150 nan 0.000 0.457 128 L N -1.326 119.901 121.223 0.007 0.000 2.202 128 L HA 0.106 4.446 4.340 -0.000 0.000 0.205 128 L C 2.083 178.934 176.870 -0.030 0.000 1.083 128 L CA 1.403 56.251 54.840 0.013 0.000 0.790 128 L CB -0.557 41.528 42.059 0.043 0.000 0.942 128 L HN 0.312 nan 8.230 nan 0.000 0.452 129 L N 0.226 121.432 121.223 -0.028 0.000 1.990 129 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 129 L C 2.382 179.216 176.870 -0.060 0.000 1.072 129 L CA 1.942 56.756 54.840 -0.044 0.000 0.755 129 L CB -0.967 41.078 42.059 -0.024 0.000 0.889 129 L HN 0.209 nan 8.230 nan 0.000 0.432 130 K N -0.765 119.608 120.400 -0.046 0.000 2.173 130 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 130 K C 1.909 178.467 176.600 -0.070 0.000 1.046 130 K CA 1.978 58.236 56.287 -0.049 0.000 0.929 130 K CB -1.485 30.993 32.500 -0.037 0.000 0.720 130 K HN 0.505 nan 8.250 nan 0.000 0.453 131 T N 1.849 116.350 114.554 -0.089 0.000 2.896 131 T HA 0.037 4.387 4.350 -0.000 0.000 0.263 131 T C 2.016 176.602 174.700 -0.191 0.000 1.050 131 T CA 0.574 62.600 62.100 -0.123 0.000 1.140 131 T CB -0.075 68.727 68.868 -0.109 0.000 0.877 131 T HN 0.096 nan 8.240 nan 0.000 0.457 132 L N 0.619 121.711 121.223 -0.218 0.000 2.376 132 L HA 0.034 4.374 4.340 -0.000 0.000 0.219 132 L C 2.554 179.370 176.870 -0.090 0.000 1.133 132 L CA 1.030 55.746 54.840 -0.207 0.000 0.816 132 L CB -0.372 41.566 42.059 -0.201 0.000 0.933 132 L HN 0.324 nan 8.230 nan 0.000 0.449 133 E N -0.151 119.998 120.200 -0.084 0.000 2.170 133 E HA -0.044 4.305 4.350 -0.000 0.000 0.191 133 E C 0.338 176.891 176.600 -0.078 0.000 0.981 133 E CA 0.511 56.876 56.400 -0.058 0.000 0.830 133 E CB 0.376 30.048 29.700 -0.047 0.000 0.775 133 E HN 0.352 nan 8.360 nan 0.000 0.470 134 E N 1.851 121.995 120.200 -0.094 0.000 3.170 134 E HA 0.156 4.505 4.350 -0.000 0.000 0.212 134 E C -2.427 174.095 176.600 -0.130 0.000 1.143 134 E CA -1.638 54.701 56.400 -0.101 0.000 1.139 134 E CB 0.889 30.541 29.700 -0.081 0.000 1.346 134 E HN 0.172 nan 8.360 nan 0.000 0.432 135 P HA 0.147 nan 4.420 nan 0.000 0.264 135 P C -2.446 174.736 177.300 -0.196 0.000 1.236 135 P CA -1.199 61.771 63.100 -0.217 0.000 0.811 135 P CB -0.134 31.358 31.700 -0.348 0.000 0.840 136 P HA 0.086 nan 4.420 nan 0.000 0.264 136 P C 0.275 177.482 177.300 -0.154 0.000 1.229 136 P CA 0.144 63.171 63.100 -0.123 0.000 0.780 136 P CB 0.091 31.744 31.700 -0.079 0.000 0.808 137 A N 4.626 127.354 122.820 -0.152 0.000 2.610 137 A HA -0.163 4.156 4.320 -0.000 0.000 0.250 137 A C 1.004 178.483 177.584 -0.174 0.000 0.978 137 A CA 0.646 52.585 52.037 -0.163 0.000 0.827 137 A CB -0.821 18.118 19.000 -0.101 0.000 0.867 137 A HN 0.765 nan 8.150 nan 0.000 0.495 138 E N 0.249 120.287 120.200 -0.270 0.000 2.791 138 E HA -0.183 4.167 4.350 -0.000 0.000 0.271 138 E C 0.148 176.487 176.600 -0.434 0.000 1.044 138 E CA 1.051 57.264 56.400 -0.312 0.000 0.814 138 E CB -2.239 27.413 29.700 -0.080 0.000 1.400 138 E HN 0.821 nan 8.360 nan 0.000 0.423 139 T N -0.587 113.657 114.554 -0.517 0.000 2.912 139 T HA 0.562 4.912 4.350 -0.000 0.000 0.280 139 T C -0.244 174.022 174.700 -0.724 0.000 0.989 139 T CA -0.163 61.727 62.100 -0.349 0.000 0.995 139 T CB 0.786 69.621 68.868 -0.054 0.000 1.077 139 T HN 0.213 nan 8.240 nan 0.000 0.531 140 W N 0.237 121.581 121.300 0.074 0.000 3.138 140 W HA 0.656 5.316 4.660 -0.000 0.000 0.331 140 W C -1.458 175.009 176.519 -0.088 0.000 1.166 140 W CA -0.795 56.516 57.345 -0.056 0.000 1.212 140 W CB 1.231 30.534 29.460 -0.261 0.000 1.399 140 W HN 0.417 nan 8.180 nan 0.000 0.514 141 F N 1.917 121.750 119.950 -0.196 0.000 2.563 141 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 141 F C -0.844 174.659 175.800 -0.495 0.000 1.076 141 F CA -1.495 56.378 58.000 -0.211 0.000 0.921 141 F CB 1.445 40.418 39.000 -0.044 0.000 1.209 141 F HN -0.021 nan 8.300 nan 0.000 0.462 142 F N 4.069 124.217 119.950 0.332 0.000 2.828 142 F HA 0.388 4.915 4.527 -0.000 0.000 0.355 142 F C -0.751 175.268 175.800 0.365 0.000 1.200 142 F CA -0.781 57.402 58.000 0.305 0.000 1.062 142 F CB 0.834 39.959 39.000 0.208 0.000 1.351 142 F HN 0.035 nan 8.300 nan 0.000 0.504 143 L N 2.327 123.827 121.223 0.461 0.000 2.454 143 L HA 0.873 5.213 4.340 -0.000 0.000 0.256 143 L C 0.065 177.155 176.870 0.367 0.000 1.136 143 L CA -0.647 54.407 54.840 0.355 0.000 0.804 143 L CB 1.537 43.745 42.059 0.248 0.000 1.181 143 L HN 0.676 nan 8.230 nan 0.000 0.469 144 A N 0.547 123.544 122.820 0.295 0.000 2.532 144 A HA 0.689 5.009 4.320 -0.000 0.000 0.296 144 A C -0.898 176.807 177.584 0.201 0.000 1.058 144 A CA -0.341 51.865 52.037 0.282 0.000 0.729 144 A CB 1.545 20.789 19.000 0.407 0.000 1.285 144 A HN 0.631 nan 8.150 nan 0.000 0.396 145 T N 1.455 116.112 114.554 0.172 0.000 3.047 145 T HA 0.340 4.690 4.350 -0.000 0.000 0.340 145 T C 1.131 175.905 174.700 0.123 0.000 1.421 145 T CA -0.332 61.846 62.100 0.130 0.000 1.090 145 T CB 1.629 70.559 68.868 0.104 0.000 1.292 145 T HN 0.867 nan 8.240 nan 0.000 0.480 146 R N 1.851 122.413 120.500 0.103 0.000 2.066 146 R HA 0.038 4.378 4.340 -0.000 0.000 0.232 146 R C 0.605 176.952 176.300 0.079 0.000 1.131 146 R CA 0.912 57.070 56.100 0.095 0.000 0.955 146 R CB -0.126 30.220 30.300 0.075 0.000 0.851 146 R HN 0.653 nan 8.270 nan 0.000 0.432 147 E N 2.292 122.528 120.200 0.061 0.000 2.101 147 E HA 0.199 4.549 4.350 -0.000 0.000 0.260 147 E C -2.213 174.412 176.600 0.043 0.000 0.897 147 E CA -2.520 53.905 56.400 0.043 0.000 0.744 147 E CB 1.967 31.683 29.700 0.027 0.000 1.140 147 E HN 0.104 nan 8.360 nan 0.000 0.419 148 P HA -0.038 nan 4.420 nan 0.000 0.241 148 P C 0.272 177.587 177.300 0.025 0.000 1.191 148 P CA 0.532 63.657 63.100 0.043 0.000 0.771 148 P CB 0.553 32.283 31.700 0.050 0.000 0.929 149 E N 0.835 121.044 120.200 0.015 0.000 2.076 149 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 149 E C 1.602 178.208 176.600 0.010 0.000 0.979 149 E CA 0.705 57.110 56.400 0.007 0.000 0.807 149 E CB -0.956 28.744 29.700 -0.001 0.000 0.761 149 E HN 0.201 nan 8.360 nan 0.000 0.454 150 R N 0.574 121.082 120.500 0.013 0.000 2.514 150 R HA 0.133 4.473 4.340 -0.000 0.000 0.216 150 R C -0.446 175.864 176.300 0.017 0.000 1.295 150 R CA -0.052 56.055 56.100 0.012 0.000 1.246 150 R CB -0.538 29.769 30.300 0.011 0.000 1.057 150 R HN 0.083 nan 8.270 nan 0.000 0.490 151 L N 0.223 121.458 121.223 0.019 0.000 2.354 151 L HA 0.321 4.661 4.340 -0.000 0.000 0.269 151 L C -0.459 176.421 176.870 0.018 0.000 1.005 151 L CA -0.864 53.990 54.840 0.023 0.000 0.819 151 L CB 1.657 43.736 42.059 0.033 0.000 1.311 151 L HN -0.003 nan 8.230 nan 0.000 0.423 152 L N 4.905 126.138 121.223 0.017 0.000 2.615 152 L HA 0.024 4.364 4.340 -0.000 0.000 0.271 152 L C 1.668 178.545 176.870 0.011 0.000 1.183 152 L CA 0.426 55.273 54.840 0.012 0.000 0.933 152 L CB 0.752 42.818 42.059 0.011 0.000 1.199 152 L HN 0.996 nan 8.230 nan 0.000 0.487 153 A N 2.953 125.778 122.820 0.008 0.000 1.971 153 A HA -0.276 4.044 4.320 -0.000 0.000 0.222 153 A C 2.306 179.893 177.584 0.007 0.000 1.182 153 A CA 2.570 54.611 52.037 0.007 0.000 0.649 153 A CB -0.628 18.374 19.000 0.005 0.000 0.818 153 A HN 0.831 nan 8.150 nan 0.000 0.458 154 T N -1.696 112.862 114.554 0.006 0.000 2.951 154 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 154 T C 1.713 176.416 174.700 0.004 0.000 1.073 154 T CA 1.334 63.436 62.100 0.004 0.000 1.134 154 T CB -0.279 68.590 68.868 0.002 0.000 0.884 154 T HN 0.302 nan 8.240 nan 0.000 0.479 155 L N 1.800 123.027 121.223 0.007 0.000 2.102 155 L HA 0.230 4.570 4.340 -0.000 0.000 0.202 155 L C 2.607 179.484 176.870 0.011 0.000 1.076 155 L CA 1.848 56.693 54.840 0.008 0.000 0.761 155 L CB -0.883 41.185 42.059 0.015 0.000 0.921 155 L HN 0.426 nan 8.230 nan 0.000 0.444 156 R N -0.006 120.503 120.500 0.015 0.000 2.357 156 R HA -0.060 4.280 4.340 -0.000 0.000 0.202 156 R C 1.748 178.049 176.300 0.003 0.000 1.047 156 R CA 1.188 57.297 56.100 0.014 0.000 1.034 156 R CB -0.328 29.983 30.300 0.019 0.000 0.875 156 R HN 0.507 nan 8.270 nan 0.000 0.473 157 S N -0.295 115.407 115.700 0.004 0.000 2.470 157 S HA 0.126 4.596 4.470 -0.000 0.000 0.222 157 S C 1.802 176.408 174.600 0.011 0.000 1.024 157 S CA -0.439 57.765 58.200 0.006 0.000 0.931 157 S CB 0.146 63.353 63.200 0.011 0.000 0.791 157 S HN 0.287 nan 8.310 nan 0.000 0.513 158 R N 0.595 121.100 120.500 0.009 0.000 2.161 158 R HA 0.212 4.552 4.340 -0.000 0.000 0.213 158 R C 0.607 176.917 176.300 0.015 0.000 1.055 158 R CA 0.535 56.649 56.100 0.025 0.000 0.996 158 R CB -0.640 29.661 30.300 0.002 0.000 0.901 158 R HN 0.509 nan 8.270 nan 0.000 0.456 159 C N 0.331 119.599 119.300 -0.053 0.000 2.325 159 C HA 0.532 4.992 4.460 -0.000 0.000 0.370 159 C C 0.629 175.439 174.990 -0.301 0.000 1.217 159 C CA -1.220 57.705 59.018 -0.155 0.000 2.254 159 C CB 1.304 29.024 27.740 -0.035 0.000 2.282 159 C HN 0.245 nan 8.230 nan 0.000 0.564 160 R N 0.712 120.944 120.500 -0.447 0.000 2.215 160 R HA 0.544 4.884 4.340 -0.000 0.000 0.336 160 R C -1.344 174.927 176.300 -0.049 0.000 0.996 160 R CA -0.457 55.450 56.100 -0.322 0.000 0.847 160 R CB 0.180 30.234 30.300 -0.410 0.000 1.127 160 R HN 0.666 nan 8.270 nan 0.000 0.465 161 L N 4.176 125.401 121.223 0.003 0.000 2.416 161 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 161 L C 0.106 177.066 176.870 0.149 0.000 1.161 161 L CA 0.183 55.074 54.840 0.084 0.000 0.845 161 L CB 0.626 42.719 42.059 0.056 0.000 1.119 161 L HN 0.581 nan 8.230 nan 0.000 0.464 162 H N 2.136 121.263 119.070 0.095 0.000 2.823 162 H HA 0.306 4.862 4.556 -0.000 0.000 0.332 162 H C -1.460 173.968 175.328 0.167 0.000 0.980 162 H CA -0.812 55.301 56.048 0.108 0.000 1.286 162 H CB 0.850 30.663 29.762 0.085 0.000 1.541 162 H HN 0.552 nan 8.280 nan 0.000 0.521 163 Y N 6.418 126.705 120.300 -0.022 0.000 2.452 163 Y HA 0.235 4.785 4.550 -0.000 0.000 0.348 163 Y C -1.066 174.892 175.900 0.097 0.000 0.985 163 Y CA -0.704 57.422 58.100 0.043 0.000 1.214 163 Y CB -0.064 38.384 38.460 -0.020 0.000 1.136 163 Y HN 0.663 nan 8.280 nan 0.000 0.523 167 P HA 0.304 nan 4.420 nan 0.000 0.274 167 P C -2.512 174.633 177.300 -0.259 0.000 1.231 167 P CA -1.075 61.871 63.100 -0.256 0.000 0.790 167 P CB -0.298 31.245 31.700 -0.261 0.000 0.951 168 P HA -0.016 nan 4.420 nan 0.000 0.261 168 P C 0.975 178.075 177.300 -0.332 0.000 1.173 168 P CA 0.423 63.276 63.100 -0.411 0.000 0.760 168 P CB 0.288 31.534 31.700 -0.758 0.000 0.783 169 E N 2.110 122.188 120.200 -0.204 0.000 2.114 169 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 169 E C 1.692 178.258 176.600 -0.058 0.000 1.008 169 E CA 1.355 57.689 56.400 -0.111 0.000 0.810 169 E CB -0.071 29.586 29.700 -0.071 0.000 0.739 169 E HN 0.607 nan 8.360 nan 0.000 0.456 170 Q N -0.200 119.555 119.800 -0.074 0.000 2.135 170 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 170 Q C 2.014 178.155 176.000 0.235 0.000 0.981 170 Q CA 1.408 57.249 55.803 0.064 0.000 0.856 170 Q CB -0.394 28.399 28.738 0.091 0.000 0.902 170 Q HN 0.609 nan 8.270 nan 0.000 0.425 171 Y N 0.560 120.859 120.300 -0.002 0.000 2.220 171 Y HA -0.056 4.494 4.550 -0.000 0.000 0.291 171 Y C 2.707 178.633 175.900 0.044 0.000 1.129 171 Y CA 0.059 58.170 58.100 0.018 0.000 1.161 171 Y CB -0.141 38.315 38.460 -0.008 0.000 0.997 171 Y HN 0.154 nan 8.280 nan 0.000 0.522 172 A N 0.134 123.030 122.820 0.127 0.000 1.933 172 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 172 A C 2.281 179.971 177.584 0.176 0.000 1.175 172 A CA 1.657 53.734 52.037 0.067 0.000 0.628 172 A CB -1.049 17.896 19.000 -0.092 0.000 0.814 172 A HN 0.251 nan 8.150 nan 0.000 0.444 173 V N -0.817 119.167 119.914 0.116 0.000 2.323 173 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 173 V C 2.677 178.821 176.094 0.084 0.000 1.041 173 V CA 2.381 64.731 62.300 0.084 0.000 1.025 173 V CB -1.413 30.437 31.823 0.045 0.000 0.656 173 V HN 0.544 nan 8.190 nan 0.000 0.451 174 T N 0.138 114.759 114.554 0.112 0.000 2.665 174 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 174 T C 1.557 176.319 174.700 0.104 0.000 1.035 174 T CA 2.104 64.255 62.100 0.086 0.000 1.151 174 T CB -0.417 68.511 68.868 0.100 0.000 0.862 174 T HN 0.788 nan 8.240 nan 0.000 0.438 175 W N 1.843 123.156 121.300 0.022 0.000 2.338 175 W HA -0.129 4.531 4.660 -0.000 0.000 0.304 175 W C 1.573 178.099 176.519 0.012 0.000 1.212 175 W CA 0.882 58.250 57.345 0.038 0.000 1.264 175 W CB -0.930 28.589 29.460 0.099 0.000 1.142 175 W HN 0.280 nan 8.180 nan 0.000 0.512 176 L N 2.092 123.275 121.223 -0.067 0.000 2.056 176 L HA -0.261 4.079 4.340 -0.000 0.000 0.207 176 L C 3.112 179.810 176.870 -0.287 0.000 1.078 176 L CA 2.061 56.758 54.840 -0.240 0.000 0.749 176 L CB -1.145 40.916 42.059 0.004 0.000 0.901 176 L HN 0.056 nan 8.230 nan 0.000 0.433 177 S N -0.370 115.217 115.700 -0.188 0.000 2.423 177 S HA -0.218 4.252 4.470 -0.000 0.000 0.238 177 S C 2.086 176.548 174.600 -0.230 0.000 1.028 177 S CA 0.869 58.952 58.200 -0.196 0.000 1.000 177 S CB -0.312 62.814 63.200 -0.124 0.000 0.797 177 S HN 0.334 nan 8.310 nan 0.000 0.487 178 R N 1.276 121.613 120.500 -0.273 0.000 2.062 178 R HA 0.171 4.511 4.340 -0.000 0.000 0.226 178 R C 2.238 178.345 176.300 -0.322 0.000 1.125 178 R CA 1.191 57.125 56.100 -0.277 0.000 0.966 178 R CB -0.906 29.220 30.300 -0.290 0.000 0.861 178 R HN 0.536 nan 8.270 nan 0.000 0.433 179 E N 1.094 121.024 120.200 -0.450 0.000 2.338 179 E HA -0.036 4.314 4.350 -0.000 0.000 0.197 179 E C 0.534 176.969 176.600 -0.275 0.000 1.007 179 E CA 0.515 56.688 56.400 -0.377 0.000 0.849 179 E CB 0.102 29.525 29.700 -0.462 0.000 0.774 179 E HN 0.180 nan 8.360 nan 0.000 0.506 180 V N -2.072 117.654 119.914 -0.315 0.000 2.950 180 V HA 0.344 4.464 4.120 -0.000 0.000 0.295 180 V C -0.425 175.452 176.094 -0.361 0.000 1.297 180 V CA -1.104 60.990 62.300 -0.344 0.000 0.962 180 V CB 1.554 33.069 31.823 -0.512 0.000 1.081 180 V HN 0.017 nan 8.190 nan 0.000 0.432 181 T N 2.949 117.326 114.554 -0.295 0.000 2.733 181 T HA 0.826 5.176 4.350 -0.000 0.000 0.294 181 T C -0.353 174.166 174.700 -0.303 0.000 0.956 181 T CA -0.429 61.518 62.100 -0.255 0.000 0.987 181 T CB 0.841 69.607 68.868 -0.171 0.000 0.920 181 T HN 0.776 nan 8.240 nan 0.000 0.470 182 M N 2.362 121.765 119.600 -0.328 0.000 2.682 182 M HA 0.365 4.845 4.480 -0.000 0.000 0.272 182 M C -0.114 176.049 176.300 -0.228 0.000 1.232 182 M CA -0.603 54.499 55.300 -0.331 0.000 0.849 182 M CB 2.495 34.739 32.600 -0.594 0.000 1.695 182 M HN 0.884 nan 8.290 nan 0.000 0.481 183 S N 0.811 116.417 115.700 -0.157 0.000 2.558 183 S HA 0.095 4.565 4.470 -0.000 0.000 0.288 183 S C 0.801 175.341 174.600 -0.100 0.000 1.318 183 S CA -0.155 57.987 58.200 -0.096 0.000 1.056 183 S CB 0.625 63.798 63.200 -0.046 0.000 0.853 183 S HN 0.681 nan 8.310 nan 0.000 0.505 184 Q N 1.656 121.414 119.800 -0.071 0.000 2.181 184 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 184 Q C 1.171 177.155 176.000 -0.026 0.000 0.980 184 Q CA 2.038 57.809 55.803 -0.053 0.000 0.862 184 Q CB -0.429 28.290 28.738 -0.033 0.000 0.905 184 Q HN 0.833 nan 8.270 nan 0.000 0.429 185 D N 0.913 121.307 120.400 -0.010 0.000 2.149 185 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 185 D C 1.733 178.062 176.300 0.049 0.000 0.990 185 D CA 1.475 55.487 54.000 0.020 0.000 0.839 185 D CB -0.138 40.677 40.800 0.025 0.000 0.948 185 D HN 0.293 nan 8.370 nan 0.000 0.460 186 A N 0.540 123.375 122.820 0.026 0.000 1.840 186 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 186 A C 2.196 179.759 177.584 -0.034 0.000 1.198 186 A CA 0.688 52.745 52.037 0.033 0.000 0.608 186 A CB -0.913 18.026 19.000 -0.102 0.000 0.839 186 A HN 0.169 nan 8.150 nan 0.000 0.443 187 L N -0.998 120.190 121.223 -0.058 0.000 2.064 187 L HA -0.261 4.079 4.340 -0.000 0.000 0.216 187 L C 2.612 179.508 176.870 0.043 0.000 1.077 187 L CA 1.660 56.497 54.840 -0.005 0.000 0.766 187 L CB -0.574 41.444 42.059 -0.069 0.000 0.890 187 L HN 0.472 nan 8.230 nan 0.000 0.435 188 L N -0.298 120.947 121.223 0.036 0.000 2.093 188 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 188 L C 2.616 179.534 176.870 0.078 0.000 1.085 188 L CA 1.884 56.752 54.840 0.047 0.000 0.755 188 L CB -0.664 41.415 42.059 0.034 0.000 0.904 188 L HN 0.148 nan 8.230 nan 0.000 0.435 189 A N -0.386 122.507 122.820 0.122 0.000 1.883 189 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 189 A C 2.479 180.196 177.584 0.222 0.000 1.186 189 A CA 1.981 54.132 52.037 0.191 0.000 0.624 189 A CB -1.249 17.943 19.000 0.319 0.000 0.822 189 A HN 0.540 nan 8.150 nan 0.000 0.444 190 A N -0.568 122.386 122.820 0.224 0.000 1.883 190 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 190 A C 2.171 179.829 177.584 0.124 0.000 1.186 190 A CA 1.892 54.032 52.037 0.170 0.000 0.624 190 A CB -0.727 18.212 19.000 -0.102 0.000 0.822 190 A HN 0.691 nan 8.150 nan 0.000 0.444 191 L N -0.055 121.223 121.223 0.092 0.000 1.989 191 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 191 L C 2.566 179.467 176.870 0.052 0.000 1.071 191 L CA 2.197 57.071 54.840 0.056 0.000 0.749 191 L CB -0.523 41.556 42.059 0.033 0.000 0.890 191 L HN 0.370 nan 8.230 nan 0.000 0.431 192 R N -0.728 119.808 120.500 0.060 0.000 2.120 192 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 192 R C 1.723 178.069 176.300 0.077 0.000 1.123 192 R CA 1.114 57.246 56.100 0.054 0.000 0.975 192 R CB -0.509 29.820 30.300 0.047 0.000 0.866 192 R HN 0.357 nan 8.270 nan 0.000 0.446 193 L N 0.668 121.955 121.223 0.106 0.000 2.718 193 L HA 0.056 4.396 4.340 -0.000 0.000 0.242 193 L C 0.406 177.372 176.870 0.161 0.000 1.203 193 L CA 0.311 55.234 54.840 0.140 0.000 1.011 193 L CB 0.413 42.573 42.059 0.170 0.000 1.250 193 L HN 0.009 nan 8.230 nan 0.000 0.437 194 S N -0.567 115.202 115.700 0.115 0.000 3.067 194 S HA 0.295 4.765 4.470 -0.000 0.000 0.253 194 S C 0.950 175.586 174.600 0.061 0.000 0.942 194 S CA 0.166 58.425 58.200 0.097 0.000 1.197 194 S CB 1.043 64.291 63.200 0.081 0.000 1.143 194 S HN 0.329 nan 8.310 nan 0.000 0.638 195 A N 0.566 123.424 122.820 0.063 0.000 2.847 195 A HA 0.001 4.321 4.320 -0.000 0.000 0.263 195 A C 1.654 179.246 177.584 0.013 0.000 1.391 195 A CA 1.473 53.536 52.037 0.044 0.000 0.866 195 A CB -2.069 16.962 19.000 0.052 0.000 1.057 195 A HN 1.860 nan 8.150 nan 0.000 0.673 196 G N -2.321 106.474 108.800 -0.007 0.000 2.213 196 G HA2 0.063 4.023 3.960 -0.000 0.000 0.226 196 G HA3 0.063 4.023 3.960 -0.000 0.000 0.226 196 G C 0.700 175.524 174.900 -0.127 0.000 0.992 196 G CA 1.184 46.247 45.100 -0.061 0.000 0.632 196 G HN 2.353 nan 8.290 nan 0.000 0.511 197 S N 1.789 117.433 115.700 -0.093 0.000 2.509 197 S HA 0.445 4.915 4.470 -0.000 0.000 0.287 197 S C -0.333 174.175 174.600 -0.153 0.000 1.248 197 S CA -0.014 58.101 58.200 -0.142 0.000 1.089 197 S CB 1.212 64.386 63.200 -0.043 0.000 0.900 197 S HN 0.154 nan 8.310 nan 0.000 0.496 198 P HA 0.123 nan 4.420 nan 0.000 0.222 198 P C 1.539 178.816 177.300 -0.038 0.000 1.153 198 P CA 0.710 63.668 63.100 -0.237 0.000 0.798 198 P CB -0.123 31.154 31.700 -0.706 0.000 0.796 199 G N 0.481 109.218 108.800 -0.105 0.000 2.394 199 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.214 199 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.214 199 G C 1.646 176.611 174.900 0.108 0.000 1.176 199 G CA 0.858 45.974 45.100 0.027 0.000 0.786 199 G HN 0.278 nan 8.290 nan 0.000 0.533 200 A N 1.196 124.064 122.820 0.080 0.000 1.898 200 A HA 0.294 4.614 4.320 -0.000 0.000 0.216 200 A C 2.813 180.468 177.584 0.118 0.000 1.181 200 A CA 2.169 54.268 52.037 0.103 0.000 0.620 200 A CB -0.831 18.220 19.000 0.085 0.000 0.819 200 A HN 0.769 nan 8.150 nan 0.000 0.442 201 A N 0.147 123.030 122.820 0.105 0.000 1.859 201 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 201 A C 2.191 179.888 177.584 0.188 0.000 1.198 201 A CA 1.706 53.817 52.037 0.123 0.000 0.629 201 A CB -0.851 18.221 19.000 0.120 0.000 0.830 201 A HN 0.594 nan 8.150 nan 0.000 0.446 202 L N -0.441 120.925 121.223 0.238 0.000 2.021 202 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 202 L C 2.647 179.680 176.870 0.272 0.000 1.074 202 L CA 2.656 57.667 54.840 0.285 0.000 0.760 202 L CB -1.040 41.176 42.059 0.262 0.000 0.889 202 L HN 0.439 nan 8.230 nan 0.000 0.433 203 A N -0.425 122.519 122.820 0.207 0.000 2.070 203 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 203 A C 2.236 179.923 177.584 0.170 0.000 1.159 203 A CA 1.103 53.249 52.037 0.182 0.000 0.656 203 A CB -0.559 18.535 19.000 0.157 0.000 0.800 203 A HN 0.555 nan 8.150 nan 0.000 0.453 204 L N -2.023 119.279 121.223 0.131 0.000 2.191 204 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 204 L C 2.149 179.047 176.870 0.047 0.000 1.103 204 L CA 1.189 56.075 54.840 0.077 0.000 0.769 204 L CB -0.316 41.739 42.059 -0.006 0.000 0.908 204 L HN 0.464 nan 8.230 nan 0.000 0.438 205 F N -0.935 119.125 119.950 0.183 0.000 2.317 205 F HA 0.021 4.548 4.527 -0.000 0.000 0.293 205 F C 1.815 177.681 175.800 0.110 0.000 1.085 205 F CA -0.184 57.891 58.000 0.125 0.000 1.390 205 F CB -0.425 38.557 39.000 -0.029 0.000 1.077 205 F HN -0.039 nan 8.300 nan 0.000 0.517 209 N N 0.841 119.652 118.700 0.185 0.000 2.036 209 N HA -0.188 4.552 4.740 -0.000 0.000 0.199 209 N C 1.332 176.911 175.510 0.115 0.000 1.036 209 N CA 1.828 55.011 53.050 0.221 0.000 0.870 209 N CB -0.321 38.333 38.487 0.279 0.000 1.055 209 N HN 0.409 nan 8.380 nan 0.000 0.436 210 W N 2.060 123.332 121.300 -0.046 0.000 2.338 210 W HA -0.193 4.467 4.660 0.000 0.000 0.304 210 W C 1.914 178.360 176.519 -0.122 0.000 1.212 210 W CA 1.152 58.399 57.345 -0.165 0.000 1.264 210 W CB 0.043 29.464 29.460 -0.065 0.000 1.142 210 W HN 0.224 nan 8.180 nan 0.000 0.512 211 Q N 0.045 119.921 119.800 0.128 0.000 2.079 211 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 211 Q C 2.352 178.312 176.000 -0.067 0.000 0.974 211 Q CA 1.813 57.648 55.803 0.052 0.000 0.840 211 Q CB -1.368 27.429 28.738 0.098 0.000 0.898 211 Q HN 0.320 nan 8.270 nan 0.000 0.430 212 A N 1.198 123.990 122.820 -0.047 0.000 2.019 212 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 212 A C 2.170 179.656 177.584 -0.163 0.000 1.164 212 A CA 1.372 53.387 52.037 -0.036 0.000 0.644 212 A CB -0.416 18.623 19.000 0.066 0.000 0.805 212 A HN 0.211 nan 8.150 nan 0.000 0.449 213 R N -0.304 119.890 120.500 -0.510 0.000 2.119 213 R HA -0.049 4.291 4.340 -0.000 0.000 0.222 213 R C 1.743 177.639 176.300 -0.673 0.000 1.088 213 R CA 1.257 56.760 56.100 -0.995 0.000 0.984 213 R CB -0.157 28.991 30.300 -1.919 0.000 0.884 213 R HN 0.673 nan 8.270 nan 0.000 0.447 214 E N -0.690 119.204 120.200 -0.509 0.000 2.150 214 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 214 E C 1.603 178.088 176.600 -0.191 0.000 0.985 214 E CA 1.502 57.720 56.400 -0.303 0.000 0.814 214 E CB 0.102 29.711 29.700 -0.151 0.000 0.752 214 E HN 0.289 nan 8.360 nan 0.000 0.466 215 T N 1.549 116.008 114.554 -0.157 0.000 2.833 215 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 215 T C 1.801 176.442 174.700 -0.099 0.000 1.054 215 T CA 0.572 62.615 62.100 -0.096 0.000 1.135 215 T CB -0.051 68.783 68.868 -0.058 0.000 0.869 215 T HN 0.136 nan 8.240 nan 0.000 0.466 216 L N 0.281 121.428 121.223 -0.128 0.000 2.056 216 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 216 L C 2.298 179.094 176.870 -0.125 0.000 1.078 216 L CA 1.228 56.009 54.840 -0.098 0.000 0.749 216 L CB -0.311 41.706 42.059 -0.071 0.000 0.901 216 L HN 0.367 nan 8.230 nan 0.000 0.433 217 C N -0.646 118.551 119.300 -0.172 0.000 2.448 217 C HA -0.089 4.371 4.460 -0.000 0.000 0.280 217 C C 2.601 177.520 174.990 -0.119 0.000 1.398 217 C CA 0.268 59.192 59.018 -0.156 0.000 1.774 217 C CB -0.628 27.003 27.740 -0.183 0.000 1.888 217 C HN 0.561 nan 8.230 nan 0.000 0.519 218 Q N 0.741 120.480 119.800 -0.102 0.000 2.096 218 Q HA -0.021 4.319 4.340 -0.000 0.000 0.197 218 Q C 2.536 178.503 176.000 -0.055 0.000 0.964 218 Q CA 1.513 57.274 55.803 -0.071 0.000 0.838 218 Q CB -0.258 28.442 28.738 -0.064 0.000 0.906 218 Q HN 0.698 nan 8.270 nan 0.000 0.444 219 A N 0.987 123.767 122.820 -0.067 0.000 1.902 219 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 219 A C 2.005 179.535 177.584 -0.090 0.000 1.181 219 A CA 0.885 52.892 52.037 -0.051 0.000 0.623 219 A CB -0.696 18.268 19.000 -0.060 0.000 0.818 219 A HN 0.348 nan 8.150 nan 0.000 0.443 220 L N -0.690 120.439 121.223 -0.155 0.000 2.083 220 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 220 L C 2.864 179.573 176.870 -0.269 0.000 1.083 220 L CA 1.613 56.290 54.840 -0.273 0.000 0.752 220 L CB -0.630 41.297 42.059 -0.220 0.000 0.899 220 L HN 0.463 nan 8.230 nan 0.000 0.433 221 A N -1.406 121.319 122.820 -0.158 0.000 2.067 221 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 221 A C 2.008 179.526 177.584 -0.111 0.000 1.158 221 A CA 1.269 53.226 52.037 -0.133 0.000 0.661 221 A CB -0.613 18.340 19.000 -0.079 0.000 0.801 221 A HN 0.590 nan 8.150 nan 0.000 0.452 222 Y N 1.493 121.687 120.300 -0.177 0.000 2.231 222 Y HA -0.126 4.424 4.550 -0.000 0.000 0.294 222 Y C 2.795 178.588 175.900 -0.178 0.000 1.120 222 Y CA 1.593 59.606 58.100 -0.145 0.000 1.141 222 Y CB -0.553 37.834 38.460 -0.121 0.000 1.022 222 Y HN 0.377 nan 8.280 nan 0.000 0.523 223 S N -0.474 114.942 115.700 -0.473 0.000 2.355 223 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 223 S C 2.062 176.286 174.600 -0.627 0.000 1.031 223 S CA 1.436 59.241 58.200 -0.657 0.000 0.993 223 S CB -1.314 61.428 63.200 -0.764 0.000 0.859 223 S HN 0.249 nan 8.310 nan 0.000 0.453 224 V N 4.213 123.775 119.914 -0.587 0.000 2.250 224 V HA -0.150 3.970 4.120 -0.000 0.000 0.253 224 V C 0.182 176.138 176.094 -0.231 0.000 1.065 224 V CA 2.461 64.557 62.300 -0.340 0.000 1.039 224 V CB -1.630 29.998 31.823 -0.324 0.000 0.647 224 V HN 0.540 nan 8.190 nan 0.000 0.446 225 P HA -0.051 nan 4.420 nan 0.000 0.224 225 P C 1.824 179.098 177.300 -0.044 0.000 1.157 225 P CA 1.807 64.841 63.100 -0.110 0.000 0.799 225 P CB 0.014 31.650 31.700 -0.107 0.000 0.809 226 S N -1.174 114.377 115.700 -0.248 0.000 2.446 226 S HA 0.222 4.692 4.470 -0.000 0.000 0.225 226 S C 1.895 176.448 174.600 -0.078 0.000 1.016 226 S CA 1.236 59.282 58.200 -0.256 0.000 0.943 226 S CB -1.144 61.641 63.200 -0.692 0.000 0.786 226 S HN 0.295 nan 8.310 nan 0.000 0.508 227 G N 1.431 110.237 108.800 0.010 0.000 2.284 227 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.230 227 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.230 227 G C 0.007 175.097 174.900 0.316 0.000 1.021 227 G CA 0.212 45.449 45.100 0.229 0.000 0.619 227 G HN 0.639 nan 8.290 nan 0.000 0.510 228 D N 0.512 120.980 120.400 0.113 0.000 2.441 228 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 228 D C 0.891 177.304 176.300 0.188 0.000 1.257 228 D CA -0.328 53.786 54.000 0.190 0.000 1.027 228 D CB -0.330 40.586 40.800 0.193 0.000 1.084 228 D HN 0.443 nan 8.370 nan 0.000 0.514 229 W N 2.022 123.378 121.300 0.094 0.000 2.658 229 W HA -0.046 4.614 4.660 -0.000 0.000 0.263 229 W C 1.601 178.210 176.519 0.150 0.000 1.274 229 W CA -0.180 57.222 57.345 0.094 0.000 1.343 229 W CB -0.616 28.885 29.460 0.069 0.000 1.106 229 W HN 0.478 nan 8.180 nan 0.000 0.615 230 Y N 1.591 122.033 120.300 0.236 0.000 2.651 230 Y HA -0.165 4.385 4.550 -0.000 0.000 0.296 230 Y C 2.368 178.337 175.900 0.115 0.000 1.150 230 Y CA 1.054 59.245 58.100 0.151 0.000 1.348 230 Y CB -0.658 37.872 38.460 0.118 0.000 0.983 230 Y HN -0.036 nan 8.280 nan 0.000 0.555 231 S N -1.042 114.678 115.700 0.034 0.000 2.489 231 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 231 S C 1.753 176.319 174.600 -0.057 0.000 0.995 231 S CA 0.808 58.980 58.200 -0.046 0.000 0.934 231 S CB -0.739 62.531 63.200 0.116 0.000 0.771 231 S HN 0.512 nan 8.310 nan 0.000 0.522 232 L N 0.496 121.713 121.223 -0.009 0.000 2.376 232 L HA 0.079 4.419 4.340 -0.000 0.000 0.219 232 L C 2.377 179.249 176.870 0.003 0.000 1.133 232 L CA 0.200 55.040 54.840 -0.001 0.000 0.816 232 L CB -0.605 41.480 42.059 0.043 0.000 0.933 232 L HN 0.294 nan 8.230 nan 0.000 0.449 233 L N 0.804 122.010 121.223 -0.028 0.000 2.064 233 L HA -0.291 4.049 4.340 -0.000 0.000 0.216 233 L C 2.642 179.502 176.870 -0.017 0.000 1.077 233 L CA 2.258 57.083 54.840 -0.024 0.000 0.766 233 L CB -0.864 41.123 42.059 -0.120 0.000 0.890 233 L HN 0.240 nan 8.230 nan 0.000 0.435 234 A N -1.213 121.578 122.820 -0.048 0.000 1.930 234 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 234 A C 2.408 180.003 177.584 0.017 0.000 1.175 234 A CA 1.704 53.728 52.037 -0.021 0.000 0.627 234 A CB -0.974 17.998 19.000 -0.046 0.000 0.815 234 A HN 0.559 nan 8.150 nan 0.000 0.443 235 A N -0.627 122.199 122.820 0.009 0.000 1.929 235 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 235 A C 2.115 179.731 177.584 0.053 0.000 1.176 235 A CA 1.392 53.443 52.037 0.024 0.000 0.628 235 A CB -0.371 18.630 19.000 0.002 0.000 0.816 235 A HN 0.458 nan 8.150 nan 0.000 0.444 236 L N -1.143 120.116 121.223 0.060 0.000 2.200 236 L HA 0.064 4.404 4.340 -0.000 0.000 0.200 236 L C 1.226 178.154 176.870 0.096 0.000 1.072 236 L CA 0.138 55.023 54.840 0.075 0.000 0.787 236 L CB -0.396 41.711 42.059 0.080 0.000 0.957 236 L HN 0.429 nan 8.230 nan 0.000 0.459 237 N N 0.832 119.586 118.700 0.090 0.000 2.399 237 N HA -0.080 4.660 4.740 -0.000 0.000 0.284 237 N C -0.705 174.890 175.510 0.143 0.000 1.283 237 N CA 0.145 53.250 53.050 0.092 0.000 0.972 237 N CB -0.014 38.509 38.487 0.059 0.000 1.328 237 N HN 0.208 nan 8.380 nan 0.000 0.486 238 H N 1.569 120.647 119.070 0.013 0.000 3.024 238 H HA -0.009 4.547 4.556 -0.000 0.000 0.324 238 H C 0.012 175.341 175.328 0.002 0.000 1.347 238 H CA -0.453 55.601 56.048 0.010 0.000 1.182 238 H CB 1.193 30.964 29.762 0.015 0.000 1.889 238 H HN 0.473 nan 8.280 nan 0.000 0.528 239 E N 1.160 121.522 120.200 0.270 0.000 2.160 239 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 239 E C 0.289 177.024 176.600 0.226 0.000 0.991 239 E CA 1.046 57.569 56.400 0.204 0.000 0.810 239 E CB 0.321 30.076 29.700 0.092 0.000 0.742 239 E HN 0.442 nan 8.360 nan 0.000 0.466 240 Q N -0.255 119.744 119.800 0.333 0.000 2.387 240 Q HA 0.115 4.455 4.340 -0.000 0.000 0.211 240 Q C 1.488 177.434 176.000 -0.089 0.000 0.952 240 Q CA 0.514 56.295 55.803 -0.037 0.000 0.957 240 Q CB 0.120 28.688 28.738 -0.282 0.000 1.002 240 Q HN 0.313 nan 8.270 nan 0.000 0.502 241 A N 2.490 125.319 122.820 0.015 0.000 1.903 241 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 241 A C -0.252 177.303 177.584 -0.049 0.000 1.191 241 A CA 1.690 53.728 52.037 0.002 0.000 0.638 241 A CB -1.443 17.583 19.000 0.042 0.000 0.823 241 A HN 0.340 nan 8.150 nan 0.000 0.451 242 P HA -0.129 nan 4.420 nan 0.000 0.216 242 P C 1.584 178.788 177.300 -0.159 0.000 1.153 242 P CA 1.970 65.021 63.100 -0.081 0.000 0.848 242 P CB -0.227 31.429 31.700 -0.073 0.000 0.787 243 A N 0.323 122.983 122.820 -0.267 0.000 1.972 243 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 243 A C 2.418 179.536 177.584 -0.778 0.000 1.169 243 A CA 1.260 52.998 52.037 -0.497 0.000 0.635 243 A CB -1.046 17.610 19.000 -0.573 0.000 0.810 243 A HN 0.099 nan 8.150 nan 0.000 0.446 244 R N -1.164 119.037 120.500 -0.498 0.000 2.075 244 R HA 0.039 4.379 4.340 -0.000 0.000 0.226 244 R C 1.773 178.061 176.300 -0.021 0.000 1.114 244 R CA 0.810 56.763 56.100 -0.245 0.000 0.972 244 R CB -0.326 29.942 30.300 -0.053 0.000 0.869 244 R HN 0.337 nan 8.270 nan 0.000 0.437 245 L N 0.382 121.594 121.223 -0.018 0.000 2.083 245 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 245 L C 2.312 179.240 176.870 0.096 0.000 1.083 245 L CA 1.871 56.746 54.840 0.059 0.000 0.752 245 L CB -1.218 40.872 42.059 0.053 0.000 0.899 245 L HN 0.248 nan 8.230 nan 0.000 0.433 246 H N -1.593 117.437 119.070 -0.067 0.000 2.326 246 H HA -0.214 4.342 4.556 -0.000 0.000 0.301 246 H C 1.968 177.337 175.328 0.068 0.000 1.081 246 H CA 1.803 57.826 56.048 -0.042 0.000 1.334 246 H CB -0.162 29.516 29.762 -0.140 0.000 1.385 246 H HN 0.171 nan 8.280 nan 0.000 0.504 247 W N 0.592 121.802 121.300 -0.150 0.000 2.317 247 W HA -0.194 4.466 4.660 -0.000 0.000 0.318 247 W C 2.489 178.918 176.519 -0.150 0.000 1.227 247 W CA 1.381 58.590 57.345 -0.226 0.000 1.269 247 W CB -1.431 27.922 29.460 -0.178 0.000 1.155 247 W HN 0.359 nan 8.180 nan 0.000 0.484 248 L N 0.994 122.320 121.223 0.172 0.000 2.187 248 L HA -0.120 4.220 4.340 -0.000 0.000 0.213 248 L C 2.230 179.163 176.870 0.105 0.000 1.100 248 L CA 2.507 57.419 54.840 0.121 0.000 0.765 248 L CB -1.027 41.117 42.059 0.141 0.000 0.904 248 L HN -0.089 nan 8.230 nan 0.000 0.437 249 A N -1.109 121.763 122.820 0.086 0.000 1.898 249 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 249 A C 2.373 179.984 177.584 0.045 0.000 1.183 249 A CA 1.739 53.826 52.037 0.083 0.000 0.622 249 A CB -1.261 17.805 19.000 0.111 0.000 0.824 249 A HN 0.595 nan 8.150 nan 0.000 0.444 250 T N -1.190 113.353 114.554 -0.017 0.000 2.803 250 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 250 T C 1.796 176.499 174.700 0.006 0.000 1.052 250 T CA 1.575 63.660 62.100 -0.026 0.000 1.136 250 T CB -0.574 68.244 68.868 -0.084 0.000 0.864 250 T HN 0.279 nan 8.240 nan 0.000 0.467 251 L N -0.433 120.798 121.223 0.014 0.000 2.093 251 L HA 0.049 4.389 4.340 -0.000 0.000 0.208 251 L C 2.669 179.574 176.870 0.057 0.000 1.085 251 L CA 0.469 55.322 54.840 0.021 0.000 0.755 251 L CB -0.524 41.541 42.059 0.011 0.000 0.904 251 L HN 0.227 nan 8.230 nan 0.000 0.435 252 L N -0.917 120.355 121.223 0.082 0.000 2.056 252 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 252 L C 2.438 179.360 176.870 0.085 0.000 1.078 252 L CA 1.729 56.632 54.840 0.105 0.000 0.749 252 L CB -0.764 41.366 42.059 0.117 0.000 0.901 252 L HN 0.260 nan 8.230 nan 0.000 0.433 253 M N -0.180 119.459 119.600 0.065 0.000 2.126 253 M HA -0.239 4.241 4.480 -0.000 0.000 0.259 253 M C 1.881 178.215 176.300 0.056 0.000 1.073 253 M CA 1.892 57.223 55.300 0.052 0.000 1.103 253 M CB -0.654 31.970 32.600 0.040 0.000 1.284 253 M HN 0.191 nan 8.290 nan 0.000 0.420 254 D N 0.194 120.622 120.400 0.046 0.000 2.192 254 D HA -0.251 4.389 4.640 -0.000 0.000 0.189 254 D C 1.926 178.263 176.300 0.062 0.000 1.007 254 D CA 2.162 56.188 54.000 0.043 0.000 0.859 254 D CB -0.658 40.158 40.800 0.026 0.000 0.936 254 D HN 0.563 nan 8.370 nan 0.000 0.447 255 A N 0.514 123.381 122.820 0.078 0.000 1.908 255 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 255 A C 2.451 180.150 177.584 0.192 0.000 1.181 255 A CA 1.047 53.147 52.037 0.106 0.000 0.627 255 A CB -0.830 18.248 19.000 0.129 0.000 0.818 255 A HN 0.258 nan 8.150 nan 0.000 0.445 256 L N -0.636 120.698 121.223 0.185 0.000 2.017 256 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 256 L C 2.615 179.627 176.870 0.236 0.000 1.073 256 L CA 1.849 56.822 54.840 0.222 0.000 0.745 256 L CB -0.292 41.830 42.059 0.105 0.000 0.894 256 L HN 0.387 nan 8.230 nan 0.000 0.432 257 K N -0.685 119.789 120.400 0.123 0.000 2.103 257 K HA -0.249 4.070 4.320 -0.000 0.000 0.207 257 K C 2.170 178.857 176.600 0.146 0.000 1.048 257 K CA 1.337 57.681 56.287 0.095 0.000 0.930 257 K CB -0.241 32.285 32.500 0.043 0.000 0.716 257 K HN 0.214 nan 8.250 nan 0.000 0.444 258 R N 0.428 120.991 120.500 0.105 0.000 2.152 258 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 258 R C 2.032 178.351 176.300 0.032 0.000 1.117 258 R CA 1.175 57.297 56.100 0.037 0.000 0.981 258 R CB -0.063 30.218 30.300 -0.032 0.000 0.870 258 R HN 0.343 nan 8.270 nan 0.000 0.451 259 H N -0.997 118.142 119.070 0.114 0.000 2.457 259 H HA -0.073 4.483 4.556 -0.000 0.000 0.294 259 H C 0.947 176.257 175.328 -0.031 0.000 1.064 259 H CA 1.148 57.225 56.048 0.049 0.000 1.330 259 H CB 0.205 30.002 29.762 0.058 0.000 1.395 259 H HN 0.451 nan 8.280 nan 0.000 0.541 260 H N -0.878 118.264 119.070 0.120 0.000 2.529 260 H HA 0.127 4.683 4.556 -0.000 0.000 0.277 260 H C 1.001 176.352 175.328 0.038 0.000 1.004 260 H CA 0.393 56.482 56.048 0.067 0.000 1.167 260 H CB 0.811 30.605 29.762 0.053 0.000 1.445 260 H HN 0.413 nan 8.280 nan 0.000 0.554 261 G N 1.632 110.502 108.800 0.116 0.000 2.246 261 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.273 261 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.273 261 G C 0.299 175.235 174.900 0.061 0.000 1.055 261 G CA 0.236 45.373 45.100 0.061 0.000 0.851 261 G HN 0.596 nan 8.290 nan 0.000 0.500 262 A N -0.276 122.587 122.820 0.072 0.000 2.354 262 A HA 0.841 5.161 4.320 -0.000 0.000 0.281 262 A C 1.598 179.200 177.584 0.030 0.000 1.174 262 A CA 0.857 52.923 52.037 0.048 0.000 0.828 262 A CB 0.626 19.653 19.000 0.044 0.000 1.099 262 A HN 1.813 nan 8.150 nan 0.000 0.516 263 A N 2.544 125.377 122.820 0.021 0.000 1.883 263 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 263 A C 1.300 178.891 177.584 0.012 0.000 1.186 263 A CA 1.064 53.109 52.037 0.014 0.000 0.624 263 A CB -0.374 18.632 19.000 0.010 0.000 0.822 263 A HN 0.778 nan 8.150 nan 0.000 0.444 264 Q N -0.085 119.722 119.800 0.011 0.000 2.304 264 Q HA 0.447 4.787 4.340 -0.000 0.000 0.260 264 Q C -1.139 174.868 176.000 0.013 0.000 0.965 264 Q CA 0.205 56.014 55.803 0.010 0.000 0.898 264 Q CB 1.369 30.112 28.738 0.007 0.000 1.196 264 Q HN 0.182 nan 8.270 nan 0.000 0.402 265 V N 2.299 122.221 119.914 0.013 0.000 2.686 265 V HA 0.135 4.255 4.120 -0.000 0.000 0.306 265 V C 0.853 176.956 176.094 0.015 0.000 1.065 265 V CA -0.364 61.944 62.300 0.014 0.000 0.894 265 V CB 2.125 33.955 31.823 0.012 0.000 1.004 265 V HN 0.836 nan 8.190 nan 0.000 0.424 266 T N 2.157 116.721 114.554 0.016 0.000 2.812 266 T HA -0.039 4.311 4.350 -0.000 0.000 0.264 266 T C 0.929 175.640 174.700 0.017 0.000 1.042 266 T CA 1.149 63.260 62.100 0.019 0.000 1.140 266 T CB -0.105 68.772 68.868 0.016 0.000 0.870 266 T HN 0.624 nan 8.240 nan 0.000 0.445 267 N N 2.769 121.471 118.700 0.004 0.000 3.298 267 N HA 0.164 4.904 4.740 -0.000 0.000 0.292 267 N C 1.287 176.800 175.510 0.005 0.000 1.271 267 N CA -0.028 53.019 53.050 -0.007 0.000 1.184 267 N CB 1.142 39.606 38.487 -0.037 0.000 1.452 267 N HN 0.265 nan 8.380 nan 0.000 0.534 268 V N -2.379 117.549 119.914 0.023 0.000 2.809 268 V HA -0.139 3.981 4.120 -0.000 0.000 0.256 268 V C 1.778 177.891 176.094 0.032 0.000 1.080 268 V CA 1.171 63.486 62.300 0.025 0.000 1.102 268 V CB -0.323 31.518 31.823 0.030 0.000 0.705 268 V HN 0.211 nan 8.190 nan 0.000 0.475 269 D N 1.838 122.268 120.400 0.050 0.000 2.158 269 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 269 D C 1.147 177.465 176.300 0.029 0.000 0.995 269 D CA 2.106 56.149 54.000 0.071 0.000 0.846 269 D CB 0.005 40.863 40.800 0.097 0.000 0.941 269 D HN 0.689 nan 8.370 nan 0.000 0.456 270 V N -3.281 116.632 119.914 -0.001 0.000 2.570 270 V HA 0.375 4.495 4.120 -0.000 0.000 0.271 270 V C -2.027 174.056 176.094 -0.019 0.000 1.005 270 V CA -0.938 61.352 62.300 -0.017 0.000 1.111 270 V CB 0.999 32.796 31.823 -0.044 0.000 1.259 270 V HN -0.131 nan 8.190 nan 0.000 0.571 271 P HA -0.151 nan 4.420 nan 0.000 0.218 271 P C 1.736 179.027 177.300 -0.015 0.000 1.146 271 P CA 2.251 65.345 63.100 -0.009 0.000 0.820 271 P CB 0.054 31.752 31.700 -0.004 0.000 0.778 272 G N 0.042 108.832 108.800 -0.017 0.000 2.432 272 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 272 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 272 G C 1.479 176.360 174.900 -0.032 0.000 1.135 272 G CA 0.418 45.506 45.100 -0.020 0.000 0.767 272 G HN 0.228 nan 8.290 nan 0.000 0.550 273 L N 1.293 122.492 121.223 -0.040 0.000 1.993 273 L HA 0.018 4.358 4.340 -0.000 0.000 0.206 273 L C 3.034 179.879 176.870 -0.041 0.000 1.074 273 L CA 2.124 56.930 54.840 -0.056 0.000 0.746 273 L CB -1.030 40.989 42.059 -0.066 0.000 0.896 273 L HN 0.197 nan 8.230 nan 0.000 0.435 274 V N -0.413 119.486 119.914 -0.025 0.000 2.546 274 V HA -0.252 3.868 4.120 -0.000 0.000 0.254 274 V C 2.342 178.432 176.094 -0.008 0.000 1.076 274 V CA 1.927 64.223 62.300 -0.006 0.000 1.087 274 V CB -1.365 30.458 31.823 -0.000 0.000 0.674 274 V HN 0.533 nan 8.190 nan 0.000 0.470 275 A N 0.244 123.053 122.820 -0.017 0.000 1.825 275 A HA -0.208 4.112 4.320 -0.000 0.000 0.214 275 A C 2.281 179.864 177.584 -0.002 0.000 1.206 275 A CA 1.819 53.846 52.037 -0.017 0.000 0.609 275 A CB -0.996 17.996 19.000 -0.014 0.000 0.851 275 A HN 0.706 nan 8.150 nan 0.000 0.445 276 E N -0.327 119.866 120.200 -0.013 0.000 2.086 276 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 276 E C 1.964 178.544 176.600 -0.034 0.000 1.012 276 E CA 1.444 57.827 56.400 -0.028 0.000 0.812 276 E CB -0.276 29.343 29.700 -0.135 0.000 0.743 276 E HN 0.540 nan 8.360 nan 0.000 0.453 277 L N 0.251 121.451 121.223 -0.038 0.000 1.978 277 L HA -0.278 4.062 4.340 -0.000 0.000 0.218 277 L C 2.559 179.507 176.870 0.130 0.000 1.075 277 L CA 1.773 56.636 54.840 0.038 0.000 0.767 277 L CB -0.454 41.637 42.059 0.055 0.000 0.890 277 L HN 0.304 nan 8.230 nan 0.000 0.434 278 A N -0.457 122.419 122.820 0.093 0.000 2.024 278 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 278 A C 1.896 179.554 177.584 0.123 0.000 1.164 278 A CA 1.931 54.024 52.037 0.092 0.000 0.643 278 A CB -0.621 18.294 19.000 -0.141 0.000 0.806 278 A HN 0.586 nan 8.150 nan 0.000 0.451 279 N N -0.235 118.546 118.700 0.135 0.000 2.135 279 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 279 N C 1.439 177.097 175.510 0.247 0.000 1.027 279 N CA 1.584 54.742 53.050 0.180 0.000 0.849 279 N CB -0.694 37.917 38.487 0.207 0.000 1.002 279 N HN 0.741 nan 8.380 nan 0.000 0.425 280 H N -0.226 118.895 119.070 0.085 0.000 2.529 280 H HA 0.184 4.740 4.556 -0.000 0.000 0.277 280 H C 0.086 175.478 175.328 0.107 0.000 0.999 280 H CA 0.245 56.348 56.048 0.091 0.000 1.256 280 H CB 0.638 30.460 29.762 0.099 0.000 1.402 280 H HN 0.027 nan 8.280 nan 0.000 0.566 281 L N 2.043 123.425 121.223 0.264 0.000 2.372 281 L HA 0.198 4.538 4.340 -0.000 0.000 0.274 281 L C 0.402 177.364 176.870 0.153 0.000 0.988 281 L CA -0.768 54.181 54.840 0.182 0.000 0.833 281 L CB 1.922 44.088 42.059 0.177 0.000 1.236 281 L HN 0.090 nan 8.230 nan 0.000 0.410 282 S N 2.904 118.622 115.700 0.030 0.000 2.560 282 S HA 0.111 4.581 4.470 -0.000 0.000 0.276 282 S C -1.352 173.090 174.600 -0.262 0.000 1.350 282 S CA -0.742 57.387 58.200 -0.119 0.000 1.024 282 S CB 0.384 63.527 63.200 -0.094 0.000 0.864 282 S HN 0.585 nan 8.310 nan 0.000 0.536 283 P HA -0.102 nan 4.420 nan 0.000 0.222 283 P C 1.434 178.643 177.300 -0.152 0.000 1.147 283 P CA 1.408 64.279 63.100 -0.381 0.000 0.790 283 P CB -0.230 31.236 31.700 -0.390 0.000 0.780 284 S N 0.031 115.645 115.700 -0.143 0.000 2.362 284 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 284 S C 2.286 176.813 174.600 -0.121 0.000 1.032 284 S CA 0.269 58.400 58.200 -0.115 0.000 0.973 284 S CB -1.029 62.102 63.200 -0.115 0.000 0.849 284 S HN -0.039 nan 8.310 nan 0.000 0.465 285 R N 0.991 121.426 120.500 -0.109 0.000 2.096 285 R HA 0.014 4.353 4.340 -0.000 0.000 0.240 285 R C 2.361 178.618 176.300 -0.071 0.000 1.139 285 R CA 1.777 57.819 56.100 -0.096 0.000 0.952 285 R CB -0.714 29.553 30.300 -0.055 0.000 0.854 285 R HN 0.463 nan 8.270 nan 0.000 0.436 286 L N 0.145 121.346 121.223 -0.037 0.000 2.017 286 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 286 L C 2.688 179.552 176.870 -0.009 0.000 1.073 286 L CA 1.251 56.096 54.840 0.008 0.000 0.745 286 L CB -0.549 41.540 42.059 0.049 0.000 0.894 286 L HN 0.321 nan 8.230 nan 0.000 0.432 287 Q N -0.165 119.612 119.800 -0.039 0.000 2.045 287 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 287 Q C 2.404 178.362 176.000 -0.069 0.000 0.991 287 Q CA 2.028 57.803 55.803 -0.047 0.000 0.851 287 Q CB -0.490 28.207 28.738 -0.068 0.000 0.911 287 Q HN 0.562 nan 8.270 nan 0.000 0.418 288 A N 1.211 123.949 122.820 -0.136 0.000 1.869 288 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 288 A C 2.177 179.728 177.584 -0.054 0.000 1.203 288 A CA 1.867 53.772 52.037 -0.221 0.000 0.638 288 A CB -0.970 17.730 19.000 -0.500 0.000 0.831 288 A HN 0.371 nan 8.150 nan 0.000 0.450 289 I N -0.731 119.851 120.570 0.021 0.000 2.163 289 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 289 I C 2.521 178.683 176.117 0.075 0.000 1.085 289 I CA 1.323 62.674 61.300 0.085 0.000 1.347 289 I CB -0.476 37.525 38.000 0.001 0.000 1.044 289 I HN 0.358 nan 8.210 nan 0.000 0.408 290 L N 0.790 122.047 121.223 0.055 0.000 2.051 290 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 290 L C 2.496 179.412 176.870 0.076 0.000 1.076 290 L CA 2.006 56.887 54.840 0.069 0.000 0.758 290 L CB -0.768 41.321 42.059 0.051 0.000 0.890 290 L HN 0.363 nan 8.230 nan 0.000 0.433 291 G N -1.102 107.726 108.800 0.047 0.000 2.414 291 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 291 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 291 G C 0.995 175.936 174.900 0.068 0.000 1.188 291 G CA 0.895 46.023 45.100 0.046 0.000 0.783 291 G HN 0.356 nan 8.290 nan 0.000 0.537 292 D N 0.050 120.490 120.400 0.067 0.000 2.123 292 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 292 D C 2.675 179.043 176.300 0.113 0.000 0.992 292 D CA 0.730 54.786 54.000 0.093 0.000 0.833 292 D CB -0.286 40.595 40.800 0.135 0.000 0.954 292 D HN 0.178 nan 8.370 nan 0.000 0.455 293 V N -0.065 119.917 119.914 0.114 0.000 2.343 293 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 293 V C 2.550 178.718 176.094 0.124 0.000 1.051 293 V CA 1.242 63.613 62.300 0.118 0.000 1.036 293 V CB -0.400 31.498 31.823 0.126 0.000 0.654 293 V HN 0.389 nan 8.190 nan 0.000 0.451 294 C N -0.937 118.447 119.300 0.139 0.000 2.436 294 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 294 C C 2.623 177.720 174.990 0.179 0.000 1.241 294 C CA 0.986 60.096 59.018 0.153 0.000 1.721 294 C CB -1.230 26.613 27.740 0.171 0.000 2.043 294 C HN 0.615 nan 8.230 nan 0.000 0.472 295 H N -0.688 118.413 119.070 0.053 0.000 2.389 295 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 295 H C 2.084 177.436 175.328 0.041 0.000 1.081 295 H CA 1.386 57.462 56.048 0.047 0.000 1.345 295 H CB -0.026 29.772 29.762 0.061 0.000 1.393 295 H HN 0.350 nan 8.280 nan 0.000 0.520 296 I N 0.679 121.347 120.570 0.164 0.000 2.394 296 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 296 I C 2.661 178.822 176.117 0.073 0.000 1.136 296 I CA 0.943 62.305 61.300 0.103 0.000 1.425 296 I CB -0.276 37.778 38.000 0.089 0.000 1.079 296 I HN 0.098 nan 8.210 nan 0.000 0.425 297 R N 0.328 120.870 120.500 0.071 0.000 2.092 297 R HA -0.198 4.142 4.340 -0.000 0.000 0.231 297 R C 2.284 178.594 176.300 0.017 0.000 1.119 297 R CA 1.442 57.566 56.100 0.041 0.000 0.970 297 R CB -0.216 30.108 30.300 0.042 0.000 0.864 297 R HN 0.377 nan 8.270 nan 0.000 0.440 298 E N 1.083 121.293 120.200 0.017 0.000 2.072 298 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 298 E C 1.701 178.298 176.600 -0.005 0.000 0.985 298 E CA 1.523 57.915 56.400 -0.013 0.000 0.801 298 E CB -0.029 29.642 29.700 -0.049 0.000 0.750 298 E HN 0.593 nan 8.360 nan 0.000 0.452 299 Q N 0.300 120.110 119.800 0.016 0.000 2.226 299 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 299 Q C 2.533 178.539 176.000 0.011 0.000 0.975 299 Q CA 1.029 56.841 55.803 0.015 0.000 0.866 299 Q CB -0.327 28.430 28.738 0.031 0.000 0.915 299 Q HN 0.324 nan 8.270 nan 0.000 0.440 300 L N 0.044 121.275 121.223 0.014 0.000 2.027 300 L HA -0.111 4.228 4.340 -0.000 0.000 0.206 300 L C 2.617 179.487 176.870 -0.000 0.000 1.074 300 L CA 1.137 55.983 54.840 0.011 0.000 0.745 300 L CB -0.415 41.653 42.059 0.015 0.000 0.898 300 L HN 0.286 nan 8.230 nan 0.000 0.433 301 M N -0.356 119.238 119.600 -0.010 0.000 2.077 301 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 301 M C 2.630 178.921 176.300 -0.016 0.000 1.070 301 M CA 2.109 57.398 55.300 -0.019 0.000 1.125 301 M CB -0.432 32.149 32.600 -0.032 0.000 1.339 301 M HN 0.382 nan 8.290 nan 0.000 0.409 302 S N 0.256 115.946 115.700 -0.016 0.000 2.326 302 S HA -0.011 4.459 4.470 -0.000 0.000 0.211 302 S C 0.969 175.564 174.600 -0.009 0.000 1.031 302 S CA 0.101 58.291 58.200 -0.015 0.000 0.985 302 S CB -1.147 62.040 63.200 -0.021 0.000 0.961 302 S HN 0.213 nan 8.310 nan 0.000 0.436 303 V N 3.516 123.427 119.914 -0.005 0.000 2.583 303 V HA -0.048 4.072 4.120 -0.000 0.000 0.302 303 V C 1.768 177.862 176.094 -0.000 0.000 1.033 303 V CA 0.890 63.189 62.300 -0.001 0.000 1.194 303 V CB -0.461 31.364 31.823 0.003 0.000 0.879 303 V HN 0.716 nan 8.190 nan 0.000 0.482 304 T N 3.814 118.368 114.554 -0.001 0.000 2.653 304 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 304 T C 1.066 175.767 174.700 0.002 0.000 1.037 304 T CA 1.919 64.019 62.100 0.000 0.000 1.159 304 T CB -0.158 68.710 68.868 0.000 0.000 0.859 304 T HN 1.110 nan 8.240 nan 0.000 0.449 305 G N 0.126 108.928 108.800 0.003 0.000 4.574 305 G HA2 0.491 4.451 3.960 -0.000 0.000 0.236 305 G HA3 0.491 4.451 3.960 -0.000 0.000 0.236 305 G C -0.230 174.674 174.900 0.006 0.000 1.733 305 G CA -0.768 44.335 45.100 0.005 0.000 0.605 305 G HN 0.369 nan 8.290 nan 0.000 0.352 306 I N -0.016 120.559 120.570 0.009 0.000 3.211 306 I HA 0.199 4.369 4.170 -0.000 0.000 0.297 306 I C 0.178 176.303 176.117 0.013 0.000 1.095 306 I CA -0.978 60.329 61.300 0.011 0.000 1.239 306 I CB 0.540 38.549 38.000 0.014 0.000 1.455 306 I HN 0.052 nan 8.210 nan 0.000 0.630 307 N N 2.517 121.226 118.700 0.015 0.000 2.405 307 N HA 0.059 4.799 4.740 -0.000 0.000 0.260 307 N C 0.890 176.415 175.510 0.025 0.000 1.152 307 N CA 0.114 53.175 53.050 0.018 0.000 0.948 307 N CB 0.996 39.494 38.487 0.019 0.000 1.111 307 N HN 0.491 nan 8.380 nan 0.000 0.485 308 R N 2.808 123.323 120.500 0.025 0.000 2.091 308 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 308 R C 1.501 177.827 176.300 0.042 0.000 1.136 308 R CA 1.494 57.614 56.100 0.033 0.000 0.959 308 R CB 0.132 30.450 30.300 0.031 0.000 0.856 308 R HN 0.638 nan 8.270 nan 0.000 0.437 309 E N 0.465 120.688 120.200 0.039 0.000 2.017 309 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 309 E C 2.108 178.744 176.600 0.059 0.000 0.997 309 E CA 1.261 57.691 56.400 0.051 0.000 0.804 309 E CB -0.148 29.578 29.700 0.043 0.000 0.757 309 E HN 0.384 nan 8.360 nan 0.000 0.448 310 L N 0.550 121.800 121.223 0.044 0.000 1.970 310 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 310 L C 2.617 179.511 176.870 0.040 0.000 1.071 310 L CA 1.140 56.003 54.840 0.039 0.000 0.751 310 L CB -0.379 41.694 42.059 0.024 0.000 0.889 310 L HN 0.305 nan 8.230 nan 0.000 0.432 311 L N 0.354 121.599 121.223 0.037 0.000 1.978 311 L HA -0.321 4.019 4.340 -0.000 0.000 0.218 311 L C 2.386 179.286 176.870 0.050 0.000 1.075 311 L CA 2.136 56.999 54.840 0.038 0.000 0.767 311 L CB -0.582 41.501 42.059 0.039 0.000 0.890 311 L HN 0.236 nan 8.230 nan 0.000 0.434 312 I N -1.715 118.894 120.570 0.064 0.000 2.226 312 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 312 I C 2.188 178.370 176.117 0.108 0.000 1.100 312 I CA 1.675 63.026 61.300 0.085 0.000 1.374 312 I CB -0.879 37.175 38.000 0.091 0.000 1.057 312 I HN 0.287 nan 8.210 nan 0.000 0.413 313 T N -0.111 114.513 114.554 0.117 0.000 2.759 313 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 313 T C 1.553 176.288 174.700 0.059 0.000 1.042 313 T CA 2.010 64.200 62.100 0.150 0.000 1.140 313 T CB -0.378 68.568 68.868 0.130 0.000 0.864 313 T HN 0.413 nan 8.240 nan 0.000 0.455 314 D N 0.613 121.030 120.400 0.028 0.000 2.123 314 D HA -0.006 4.634 4.640 -0.000 0.000 0.200 314 D C 2.044 178.333 176.300 -0.019 0.000 0.976 314 D CA 0.531 54.524 54.000 -0.013 0.000 0.831 314 D CB -0.365 40.431 40.800 -0.006 0.000 0.974 314 D HN 0.255 nan 8.370 nan 0.000 0.469 315 L N 0.146 121.380 121.223 0.018 0.000 1.989 315 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 315 L C 2.346 179.217 176.870 0.002 0.000 1.071 315 L CA 1.087 55.936 54.840 0.015 0.000 0.749 315 L CB -0.327 41.769 42.059 0.062 0.000 0.890 315 L HN 0.198 nan 8.230 nan 0.000 0.431 316 L N -0.409 120.861 121.223 0.079 0.000 1.943 316 L HA -0.317 4.023 4.340 -0.000 0.000 0.215 316 L C 2.640 179.540 176.870 0.049 0.000 1.074 316 L CA 1.638 56.563 54.840 0.142 0.000 0.759 316 L CB -0.890 41.335 42.059 0.276 0.000 0.888 316 L HN 0.318 nan 8.230 nan 0.000 0.433 317 L N -0.530 120.690 121.223 -0.005 0.000 2.051 317 L HA -0.270 4.070 4.340 -0.000 0.000 0.214 317 L C 2.877 179.660 176.870 -0.145 0.000 1.076 317 L CA 1.373 56.157 54.840 -0.093 0.000 0.758 317 L CB -0.593 41.367 42.059 -0.165 0.000 0.890 317 L HN 0.294 nan 8.230 nan 0.000 0.433 318 R N 0.518 120.901 120.500 -0.195 0.000 2.096 318 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 318 R C 2.315 178.224 176.300 -0.652 0.000 1.127 318 R CA 1.315 57.196 56.100 -0.365 0.000 0.968 318 R CB -0.197 29.902 30.300 -0.335 0.000 0.861 318 R HN 0.345 nan 8.270 nan 0.000 0.440 319 I N 0.806 121.093 120.570 -0.472 0.000 2.226 319 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 319 I C 1.810 177.646 176.117 -0.468 0.000 1.100 319 I CA 1.530 62.519 61.300 -0.519 0.000 1.374 319 I CB -0.228 37.516 38.000 -0.427 0.000 1.057 319 I HN 0.290 nan 8.210 nan 0.000 0.413 320 E N -0.585 119.434 120.200 -0.302 0.000 2.268 320 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 320 E C 1.819 178.371 176.600 -0.081 0.000 0.995 320 E CA 0.814 57.112 56.400 -0.169 0.000 0.836 320 E CB -0.094 29.592 29.700 -0.023 0.000 0.763 320 E HN 0.486 nan 8.360 nan 0.000 0.491 321 H N -0.895 118.042 119.070 -0.222 0.000 2.512 321 H HA -0.051 4.505 4.556 -0.000 0.000 0.279 321 H C 1.081 176.409 175.328 0.001 0.000 0.999 321 H CA 0.973 56.949 56.048 -0.120 0.000 1.283 321 H CB 0.164 29.847 29.762 -0.132 0.000 1.421 321 H HN 0.142 nan 8.280 nan 0.000 0.554 322 Y N 0.087 120.315 120.300 -0.120 0.000 2.314 322 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 322 Y C 2.228 178.018 175.900 -0.184 0.000 1.129 322 Y CA 0.604 58.607 58.100 -0.163 0.000 1.201 322 Y CB -0.646 37.721 38.460 -0.154 0.000 0.999 322 Y HN 0.204 nan 8.280 nan 0.000 0.541 323 L N -0.360 120.847 121.223 -0.027 0.000 2.275 323 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 323 L C 0.968 177.803 176.870 -0.058 0.000 1.119 323 L CA 0.725 55.530 54.840 -0.058 0.000 0.790 323 L CB -0.474 41.531 42.059 -0.089 0.000 0.919 323 L HN 0.140 nan 8.230 nan 0.000 0.443 324 Q N 0.900 120.637 119.800 -0.105 0.000 2.314 324 Q HA 0.198 4.538 4.340 -0.000 0.000 0.258 324 Q C -2.088 173.840 176.000 -0.121 0.000 0.954 324 Q CA -1.925 53.808 55.803 -0.115 0.000 0.890 324 Q CB 0.937 29.567 28.738 -0.180 0.000 1.210 324 Q HN -0.028 nan 8.270 nan 0.000 0.410 325 P HA -0.027 nan 4.420 nan 0.000 0.264 325 P C 0.409 177.666 177.300 -0.072 0.000 1.193 325 P CA 0.847 63.909 63.100 -0.063 0.000 0.763 325 P CB 0.508 32.185 31.700 -0.039 0.000 0.810 326 G N 1.305 110.065 108.800 -0.068 0.000 2.232 326 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 326 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 326 G C 0.113 174.971 174.900 -0.069 0.000 0.996 326 G CA -0.189 44.876 45.100 -0.059 0.000 0.626 326 G HN 0.523 nan 8.290 nan 0.000 0.509 327 V N 1.410 121.258 119.914 -0.110 0.000 2.637 327 V HA 0.450 4.570 4.120 -0.000 0.000 0.296 327 V C 1.073 177.124 176.094 -0.073 0.000 1.046 327 V CA 0.229 62.464 62.300 -0.110 0.000 1.066 327 V CB 1.744 33.430 31.823 -0.229 0.000 0.968 327 V HN 0.623 nan 8.190 nan 0.000 0.483 328 V N 7.747 127.636 119.914 -0.042 0.000 2.284 328 V HA 0.330 4.450 4.120 -0.000 0.000 0.260 328 V C 0.252 176.288 176.094 -0.095 0.000 1.084 328 V CA -0.395 61.868 62.300 -0.062 0.000 0.894 328 V CB -0.011 31.788 31.823 -0.039 0.000 1.119 328 V HN 0.681 nan 8.190 nan 0.000 0.484 329 L N 7.050 128.157 121.223 -0.194 0.000 2.482 329 L HA 0.434 4.774 4.340 -0.000 0.000 0.273 329 L C -1.532 175.168 176.870 -0.284 0.000 1.228 329 L CA -1.424 53.184 54.840 -0.388 0.000 0.827 329 L CB -0.617 41.110 42.059 -0.553 0.000 1.099 329 L HN 0.372 nan 8.230 nan 0.000 0.494 330 P HA 0.240 nan 4.420 nan 0.000 0.272 330 P C -0.895 176.269 177.300 -0.226 0.000 1.240 330 P CA -0.312 62.660 63.100 -0.215 0.000 0.791 330 P CB 1.532 33.130 31.700 -0.170 0.000 0.978 331 V N 1.634 121.405 119.914 -0.239 0.000 2.709 331 V HA 0.308 4.428 4.120 -0.000 0.000 0.308 331 V C -2.108 173.762 176.094 -0.373 0.000 1.062 331 V CA -1.656 60.501 62.300 -0.238 0.000 0.901 331 V CB 1.243 32.959 31.823 -0.179 0.000 1.003 331 V HN 0.574 nan 8.190 nan 0.000 0.425 332 P HA 0.177 nan 4.420 nan 0.000 0.269 332 P C -0.528 176.571 177.300 -0.335 0.000 1.211 332 P CA 0.070 62.999 63.100 -0.285 0.000 0.781 332 P CB 0.264 31.907 31.700 -0.094 0.000 0.877 333 H N 0.622 119.698 119.070 0.011 0.000 2.570 333 H HA 0.458 5.014 4.556 -0.000 0.000 0.342 333 H C 0.810 176.152 175.328 0.024 0.000 1.245 333 H CA -0.806 55.252 56.048 0.017 0.000 1.318 333 H CB 0.495 30.274 29.762 0.028 0.000 1.694 333 H HN 0.315 nan 8.280 nan 0.000 0.592 334 L N 0.000 121.321 121.223 0.163 0.000 2.949 334 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 334 L CA 0.000 54.893 54.840 0.088 0.000 0.813 334 L CB 0.000 42.107 42.059 0.080 0.000 0.961 334 L HN 0.000 nan 8.230 nan 0.000 0.502