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_O 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 0.000 176.170 176.300 -0.217 0.000 1.140 1 M CA 0.000 55.209 55.300 -0.152 0.000 0.988 1 M CB 0.000 32.500 32.600 -0.167 0.000 1.302 2 R N -0.038 120.258 120.500 -0.340 0.000 2.515 2 R HA 0.321 4.661 4.340 -0.000 0.000 0.291 2 R C -1.296 174.570 176.300 -0.724 0.000 1.046 2 R CA -0.389 55.468 56.100 -0.404 0.000 0.914 2 R CB 1.702 31.838 30.300 -0.274 0.000 1.191 2 R HN 0.413 nan 8.270 nan 0.000 0.435 3 W N 5.148 126.105 121.300 -0.572 0.000 2.605 3 W HA 0.127 4.787 4.660 -0.000 0.000 0.327 3 W C -0.519 175.683 176.519 -0.527 0.000 1.332 3 W CA 0.261 57.272 57.345 -0.556 0.000 1.403 3 W CB 0.054 29.289 29.460 -0.375 0.000 1.452 3 W HN 0.416 nan 8.180 nan 0.000 0.503 4 Y N 7.375 127.103 120.300 -0.952 0.000 2.316 4 Y HA 0.199 4.749 4.550 -0.000 0.000 0.324 4 Y C -0.605 174.279 175.900 -1.694 0.000 1.267 4 Y CA -2.633 54.602 58.100 -1.442 0.000 1.311 4 Y CB -0.187 36.695 38.460 -2.629 0.000 1.267 4 Y HN 0.312 nan 8.280 nan 0.000 0.516 5 P HA -0.153 nan 4.420 nan 0.000 0.219 5 P C 0.847 177.821 177.300 -0.544 0.000 1.150 5 P CA 1.803 64.511 63.100 -0.652 0.000 0.814 5 P CB -0.104 31.503 31.700 -0.155 0.000 0.787 6 W N -0.020 121.010 121.300 -0.450 0.000 2.595 6 W HA 0.144 4.804 4.660 -0.000 0.000 0.257 6 W C 1.615 177.943 176.519 -0.318 0.000 1.267 6 W CA 0.030 57.178 57.345 -0.328 0.000 1.300 6 W CB -1.828 27.430 29.460 -0.338 0.000 1.120 6 W HN -0.244 nan 8.180 nan 0.000 0.618 7 L N 1.893 122.714 121.223 -0.670 0.000 2.551 7 L HA -0.017 4.322 4.340 -0.000 0.000 0.228 7 L C 2.841 179.571 176.870 -0.234 0.000 1.153 7 L CA 1.058 55.620 54.840 -0.464 0.000 0.851 7 L CB -0.628 40.917 42.059 -0.857 0.000 0.959 7 L HN 0.208 nan 8.230 nan 0.000 0.451 8 R N 0.295 120.624 120.500 -0.285 0.000 2.055 8 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 8 R C -0.599 175.795 176.300 0.157 0.000 1.143 8 R CA 0.642 56.768 56.100 0.044 0.000 0.945 8 R CB -2.236 28.087 30.300 0.037 0.000 0.841 8 R HN 0.117 nan 8.270 nan 0.000 0.429 9 P HA -0.155 nan 4.420 nan 0.000 0.217 9 P C 0.144 177.519 177.300 0.124 0.000 1.151 9 P CA 1.807 64.966 63.100 0.098 0.000 0.849 9 P CB -0.092 31.652 31.700 0.073 0.000 0.787 10 D N -1.800 118.690 120.400 0.149 0.000 2.123 10 D HA -0.110 4.529 4.640 -0.000 0.000 0.200 10 D C 1.563 177.949 176.300 0.143 0.000 0.976 10 D CA 0.775 54.893 54.000 0.196 0.000 0.831 10 D CB -1.157 39.798 40.800 0.258 0.000 0.974 10 D HN 0.127 nan 8.370 nan 0.000 0.469 11 F N 1.614 121.579 119.950 0.025 0.000 2.269 11 F HA -0.107 4.420 4.527 -0.000 0.000 0.301 11 F C 2.049 177.824 175.800 -0.041 0.000 1.082 11 F CA 1.155 59.153 58.000 -0.003 0.000 1.360 11 F CB 0.109 39.200 39.000 0.152 0.000 1.041 11 F HN -0.085 nan 8.300 nan 0.000 0.512 12 E N 0.873 121.189 120.200 0.194 0.000 2.015 12 E HA -0.302 4.048 4.350 -0.000 0.000 0.191 12 E C 2.155 178.717 176.600 -0.064 0.000 0.991 12 E CA 1.711 58.175 56.400 0.106 0.000 0.802 12 E CB -0.184 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 0.394 120.768 120.400 -0.044 0.000 2.283 13 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 13 K C 1.926 178.398 176.600 -0.213 0.000 1.048 13 K CA 1.096 57.335 56.287 -0.079 0.000 0.948 13 K CB -0.172 32.324 32.500 -0.005 0.000 0.742 13 K HN 0.192 nan 8.250 nan 0.000 0.458 14 L N 0.410 121.433 121.223 -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 -1.021 0.000 1.130 14 L CA 0.229 54.703 54.840 -0.610 0.000 0.826 14 L CB 0.074 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 -0.703 118.701 119.914 -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 -0.528 0.000 1.086 15 V CA 1.114 62.861 62.300 -0.923 0.000 1.097 15 V CB 0.413 31.534 31.823 -1.170 0.000 0.762 15 V HN 0.368 nan 8.190 nan 0.000 0.470 16 A N 0.478 123.086 122.820 -0.354 0.000 2.178 16 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 16 A C 2.337 179.855 177.584 -0.111 0.000 1.157 16 A CA 2.013 53.948 52.037 -0.170 0.000 0.689 16 A CB -0.341 18.605 19.000 -0.089 0.000 0.787 16 A HN 0.686 nan 8.150 nan 0.000 0.465 17 S N -2.588 113.008 115.700 -0.172 0.000 2.497 17 S HA 0.080 4.550 4.470 -0.000 0.000 0.221 17 S C 1.449 176.137 174.600 0.146 0.000 1.037 17 S CA 0.094 58.279 58.200 -0.024 0.000 0.920 17 S CB -0.472 62.707 63.200 -0.034 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 0.036 0.000 1.158 18 Y CA -0.202 57.833 58.100 -0.108 0.000 1.307 18 Y CB -0.580 37.718 38.460 -0.269 0.000 1.036 18 Y HN 0.496 nan 8.280 nan 0.000 0.532 19 Q N -0.723 119.177 119.800 0.166 0.000 2.390 19 Q HA 0.192 4.532 4.340 -0.000 0.000 0.216 19 Q C 1.755 177.819 176.000 0.106 0.000 0.916 19 Q CA 0.639 56.526 55.803 0.140 0.000 0.911 19 Q CB 0.227 29.007 28.738 0.069 0.000 1.035 19 Q HN 0.237 nan 8.270 nan 0.000 0.541 20 A N -0.659 122.216 122.820 0.092 0.000 2.345 20 A HA 0.419 4.739 4.320 -0.000 0.000 0.225 20 A C 1.303 178.954 177.584 0.112 0.000 1.243 20 A CA 0.751 52.839 52.037 0.085 0.000 0.875 20 A CB -0.084 18.952 19.000 0.060 0.000 0.929 20 A HN 0.569 nan 8.150 nan 0.000 0.502 21 G N 0.129 109.026 108.800 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 1.072 176.105 174.900 0.222 0.000 1.012 21 G CA 0.337 45.551 45.100 0.190 0.000 0.618 21 G HN 0.447 nan 8.290 nan 0.000 0.521 22 R N 1.784 122.399 120.500 0.193 0.000 2.377 22 R HA 0.088 4.428 4.340 -0.000 0.000 0.207 22 R C 1.585 178.063 176.300 0.296 0.000 1.075 22 R CA 0.502 56.719 56.100 0.195 0.000 1.035 22 R CB -1.176 29.206 30.300 0.138 0.000 0.857 22 R HN 0.768 nan 8.270 nan 0.000 0.475 23 G N 0.951 110.018 108.800 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 -0.936 174.410 174.900 0.742 0.000 1.288 23 G CA -0.092 45.439 45.100 0.719 0.000 0.901 23 G HN 0.341 nan 8.290 nan 0.000 0.516 24 H N 1.851 121.287 119.070 0.611 0.000 2.705 24 H HA 0.177 4.733 4.556 -0.000 0.000 0.291 24 H C 1.860 177.418 175.328 0.382 0.000 1.085 24 H CA -0.769 55.507 56.048 0.380 0.000 1.357 24 H CB 0.522 30.391 29.762 0.179 0.000 1.419 24 H HN 0.741 nan 8.280 nan 0.000 0.462 25 H N 2.687 121.867 119.070 0.184 0.000 2.539 25 H HA -0.053 4.502 4.556 -0.000 0.000 0.292 25 H C -0.228 175.206 175.328 0.177 0.000 1.069 25 H CA 0.782 56.839 56.048 0.014 0.000 1.244 25 H CB -0.208 29.361 29.762 -0.323 0.000 1.365 25 H HN 0.413 nan 8.280 nan 0.000 0.575 26 A N 1.014 123.908 122.820 0.124 0.000 2.414 26 A HA 0.525 4.845 4.320 -0.000 0.000 0.286 26 A C -1.479 176.184 177.584 0.132 0.000 1.073 26 A CA -0.728 51.376 52.037 0.112 0.000 0.727 26 A CB 1.515 20.493 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 0.183 0.000 2.376 27 L HA 0.747 5.087 4.340 -0.000 0.000 0.275 27 L C -1.374 175.662 176.870 0.277 0.000 0.987 27 L CA -0.659 54.329 54.840 0.248 0.000 0.828 27 L CB 1.725 44.060 42.059 0.460 0.000 1.249 27 L HN 0.679 nan 8.230 nan 0.000 0.409 28 L N 6.250 127.588 121.223 0.192 0.000 2.280 28 L HA 0.642 4.982 4.340 -0.000 0.000 0.287 28 L C -1.164 175.828 176.870 0.202 0.000 1.023 28 L CA 0.033 54.988 54.840 0.192 0.000 0.819 28 L CB 1.057 43.193 42.059 0.128 0.000 1.212 28 L HN 0.521 nan 8.230 nan 0.000 0.420 29 I N 4.664 125.364 120.570 0.216 0.000 2.354 29 I HA 0.392 4.562 4.170 -0.000 0.000 0.292 29 I C -0.180 176.060 176.117 0.205 0.000 0.989 29 I CA -0.054 61.367 61.300 0.203 0.000 1.188 29 I CB 1.781 39.867 38.000 0.143 0.000 1.342 29 I HN 0.703 nan 8.210 nan 0.000 0.457 30 Q N 6.453 126.392 119.800 0.231 0.000 2.293 30 Q HA 0.917 5.257 4.340 -0.000 0.000 0.261 30 Q C -1.311 174.839 176.000 0.251 0.000 0.960 30 Q CA -0.755 55.181 55.803 0.223 0.000 0.882 30 Q CB 2.171 31.036 28.738 0.212 0.000 1.275 30 Q HN 0.733 nan 8.270 nan 0.000 0.445 31 A N 3.338 126.276 122.820 0.197 0.000 2.605 31 A HA 0.470 4.790 4.320 -0.000 0.000 0.294 31 A C -1.080 176.584 177.584 0.133 0.000 1.062 31 A CA -0.942 51.193 52.037 0.164 0.000 0.682 31 A CB 1.029 20.103 19.000 0.123 0.000 1.278 31 A HN 0.792 nan 8.150 nan 0.000 0.410 32 L N 2.189 123.475 121.223 0.104 0.000 2.479 32 L HA 0.264 4.604 4.340 -0.000 0.000 0.270 32 L C -1.554 175.362 176.870 0.077 0.000 1.236 32 L CA -1.307 53.578 54.840 0.075 0.000 0.823 32 L CB 0.190 42.272 42.059 0.038 0.000 1.098 32 L HN 0.548 nan 8.230 nan 0.000 0.500 33 P HA -0.011 nan 4.420 nan 0.000 0.270 33 P C 0.365 177.721 177.300 0.094 0.000 1.223 33 P CA 0.185 63.338 63.100 0.089 0.000 0.785 33 P CB 0.476 32.219 31.700 0.072 0.000 0.923 34 G N 2.056 110.939 108.800 0.139 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 0.142 0.000 1.002 34 G CA 0.062 45.266 45.100 0.173 0.000 0.979 34 G HN 0.479 nan 8.290 nan 0.000 0.513 35 M N -0.302 119.401 119.600 0.171 0.000 2.356 35 M HA 0.284 4.764 4.480 -0.000 0.000 0.262 35 M C 1.724 178.298 176.300 0.457 0.000 1.097 35 M CA 1.019 56.409 55.300 0.151 0.000 0.991 35 M CB -0.347 32.277 32.600 0.040 0.000 1.450 35 M HN 1.407 nan 8.290 nan 0.000 0.495 36 G N 1.285 110.378 108.800 0.488 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 0.587 175.616 174.900 0.215 0.000 1.000 36 G CA 0.614 45.990 45.100 0.461 0.000 0.693 36 G HN 0.416 nan 8.290 nan 0.000 0.515 37 D N 0.326 120.853 120.400 0.210 0.000 2.149 37 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 37 D C 1.816 178.194 176.300 0.130 0.000 0.990 37 D CA 1.583 55.680 54.000 0.161 0.000 0.839 37 D CB -0.065 40.849 40.800 0.190 0.000 0.948 37 D HN 0.343 nan 8.370 nan 0.000 0.460 38 D N -0.230 120.269 120.400 0.165 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 -0.023 0.000 0.994 38 D CA 2.199 56.286 54.000 0.145 0.000 0.838 38 D CB -0.629 40.262 40.800 0.152 0.000 0.976 38 D HN 0.214 nan 8.370 nan 0.000 0.447 39 A N -0.101 122.697 122.820 -0.036 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 0.058 0.000 1.164 39 A CA 1.183 53.196 52.037 -0.040 0.000 0.644 39 A CB -0.635 18.312 19.000 -0.089 0.000 0.805 39 A HN 0.371 nan 8.150 nan 0.000 0.449 40 L N -0.171 121.065 121.223 0.022 0.000 2.072 40 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 40 L C 2.111 178.904 176.870 -0.128 0.000 1.079 40 L CA 1.434 56.303 54.840 0.048 0.000 0.752 40 L CB -0.368 41.697 42.059 0.011 0.000 0.906 40 L HN 0.327 nan 8.230 nan 0.000 0.436 41 I N -1.151 119.223 120.570 -0.328 0.000 2.142 41 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 41 I C 2.509 178.310 176.117 -0.527 0.000 1.078 41 I CA 1.719 62.615 61.300 -0.674 0.000 1.343 41 I CB -1.519 35.822 38.000 -1.098 0.000 1.046 41 I HN 0.326 nan 8.210 nan 0.000 0.405 42 Y N 2.001 121.983 120.300 -0.529 0.000 2.128 42 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 42 Y C 2.678 178.479 175.900 -0.165 0.000 1.154 42 Y CA 2.320 60.245 58.100 -0.291 0.000 1.149 42 Y CB -0.212 38.100 38.460 -0.247 0.000 0.976 42 Y HN 0.143 nan 8.280 nan 0.000 0.505 43 A N -0.060 122.832 122.820 0.121 0.000 1.972 43 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 43 A C 2.277 180.007 177.584 0.244 0.000 1.169 43 A CA 1.742 53.840 52.037 0.102 0.000 0.635 43 A CB -1.004 18.002 19.000 0.010 0.000 0.810 43 A HN 0.596 nan 8.150 nan 0.000 0.446 44 L N 0.097 121.369 121.223 0.082 0.000 2.072 44 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 44 L C 3.012 179.882 176.870 0.001 0.000 1.079 44 L CA 1.475 56.274 54.840 -0.069 0.000 0.752 44 L CB -0.324 41.521 42.059 -0.357 0.000 0.906 44 L HN 0.601 nan 8.230 nan 0.000 0.436 45 S N -0.682 114.979 115.700 -0.064 0.000 2.402 45 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 45 S C 1.982 176.561 174.600 -0.036 0.000 1.021 45 S CA 0.449 58.675 58.200 0.043 0.000 0.974 45 S CB -0.341 62.941 63.200 0.137 0.000 0.800 45 S HN 0.326 nan 8.310 nan 0.000 0.484 46 R N 0.207 120.633 120.500 -0.123 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 -0.051 0.000 1.092 46 R CA 1.172 57.172 56.100 -0.166 0.000 0.989 46 R CB -0.933 29.242 30.300 -0.209 0.000 0.876 46 R HN 0.708 nan 8.270 nan 0.000 0.457 47 Y N 0.900 121.157 120.300 -0.072 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 -0.070 0.000 1.124 47 Y CA 1.151 59.224 58.100 -0.046 0.000 1.178 47 Y CB -0.032 38.414 38.460 -0.023 0.000 1.010 47 Y HN -0.121 nan 8.280 nan 0.000 0.536 48 L N -0.585 120.645 121.223 0.012 0.000 2.341 48 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 48 L C 0.857 177.673 176.870 -0.089 0.000 1.115 48 L CA 0.163 54.947 54.840 -0.092 0.000 0.820 48 L CB -0.088 41.875 42.059 -0.161 0.000 0.944 48 L HN 0.160 nan 8.230 nan 0.000 0.452 49 L N -0.386 120.775 121.223 -0.104 0.000 2.783 49 L HA 0.129 4.469 4.340 -0.000 0.000 0.236 49 L C 0.263 177.043 176.870 -0.151 0.000 1.225 49 L CA 0.169 54.928 54.840 -0.136 0.000 1.026 49 L CB -0.076 41.831 42.059 -0.254 0.000 1.314 49 L HN 0.167 nan 8.230 nan 0.000 0.489 50 C N -0.488 118.722 119.300 -0.151 0.000 2.319 50 C HA 0.299 4.758 4.460 -0.000 0.000 0.335 50 C C 1.765 176.697 174.990 -0.095 0.000 1.274 50 C CA -0.608 58.329 59.018 -0.136 0.000 1.806 50 C CB 0.858 28.488 27.740 -0.184 0.000 2.329 50 C HN 0.543 nan 8.230 nan 0.000 0.524 51 Q N 2.110 121.879 119.800 -0.051 0.000 2.137 51 Q HA 0.014 4.354 4.340 -0.000 0.000 0.198 51 Q C 0.257 176.234 176.000 -0.038 0.000 0.960 51 Q CA 1.360 57.148 55.803 -0.026 0.000 0.847 51 Q CB 0.005 28.743 28.738 0.000 0.000 0.915 51 Q HN 0.813 nan 8.270 nan 0.000 0.448 52 Q N 1.315 121.090 119.800 -0.042 0.000 3.075 52 Q HA 0.287 4.627 4.340 -0.000 0.000 0.318 52 Q C -2.385 173.582 176.000 -0.055 0.000 0.907 52 Q CA -1.496 54.284 55.803 -0.037 0.000 0.882 52 Q CB 1.548 30.280 28.738 -0.009 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 -0.261 177.003 177.300 -0.060 0.000 1.209 53 P CA 0.226 63.249 63.100 -0.128 0.000 0.776 53 P CB 0.995 32.531 31.700 -0.274 0.000 0.876 54 Q N 0.854 120.641 119.800 -0.023 0.000 2.246 54 Q HA 0.266 4.606 4.340 -0.000 0.000 0.202 54 Q C 1.133 177.164 176.000 0.051 0.000 0.883 54 Q CA 0.399 56.212 55.803 0.016 0.000 0.952 54 Q CB 0.435 29.188 28.738 0.024 0.000 1.078 54 Q HN 0.871 nan 8.270 nan 0.000 0.493 55 G N 0.123 108.955 108.800 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 0.098 0.000 2.215 55 G CA -0.293 44.856 45.100 0.082 0.000 1.518 55 G HN 0.363 nan 8.290 nan 0.000 0.495 56 H N 0.609 119.790 119.070 0.186 0.000 2.885 56 H HA 0.361 4.917 4.556 -0.000 0.000 0.260 56 H C 0.881 176.401 175.328 0.320 0.000 0.985 56 H CA 1.240 57.433 56.048 0.242 0.000 1.210 56 H CB 1.446 31.287 29.762 0.132 0.000 1.466 56 H HN 0.294 nan 8.280 nan 0.000 0.493 57 K N -0.017 120.559 120.400 0.294 0.000 2.283 57 K HA 0.377 4.697 4.320 -0.000 0.000 0.257 57 K C -0.360 176.274 176.600 0.057 0.000 1.066 57 K CA -0.600 55.796 56.287 0.182 0.000 0.891 57 K CB 1.836 34.359 32.500 0.039 0.000 1.438 57 K HN -0.152 nan 8.250 nan 0.000 0.464 58 S N -0.738 114.954 115.700 -0.013 0.000 2.661 58 S HA 0.118 4.588 4.470 -0.000 0.000 0.265 58 S C 1.122 175.688 174.600 -0.058 0.000 1.225 58 S CA -0.222 57.939 58.200 -0.066 0.000 0.986 58 S CB 0.416 63.559 63.200 -0.095 0.000 1.008 58 S HN 0.779 nan 8.310 nan 0.000 0.565 59 C N -1.466 117.799 119.300 -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 0.172 59.167 59.018 -0.038 0.000 1.745 59 C CB -1.366 26.396 27.740 0.037 0.000 2.107 59 C HN 1.155 nan 8.230 nan 0.000 0.502 60 G N 0.243 108.946 108.800 -0.161 0.000 2.232 60 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.226 60 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.226 60 G C 0.465 175.194 174.900 -0.284 0.000 0.996 60 G CA 0.782 45.730 45.100 -0.254 0.000 0.626 60 G HN 0.666 nan 8.290 nan 0.000 0.509 61 H N 0.179 119.228 119.070 -0.034 0.000 2.337 61 H HA 0.269 4.825 4.556 -0.000 0.000 0.311 61 H C 2.409 177.723 175.328 -0.023 0.000 1.054 61 H CA 0.671 56.704 56.048 -0.026 0.000 1.385 61 H CB -0.541 29.207 29.762 -0.022 0.000 1.437 61 H HN 0.934 nan 8.280 nan 0.000 0.553 62 C N 2.451 121.816 119.300 0.110 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 0.037 0.000 1.305 62 C CA -0.409 58.641 59.018 0.052 0.000 1.728 62 C CB 0.433 28.186 27.740 0.022 0.000 2.628 62 C HN 0.612 nan 8.230 nan 0.000 0.622 63 R N 2.669 123.193 120.500 0.039 0.000 2.140 63 R HA -0.122 4.218 4.340 -0.000 0.000 0.250 63 R C 2.387 178.739 176.300 0.086 0.000 1.150 63 R CA 2.236 58.366 56.100 0.050 0.000 0.966 63 R CB -0.923 29.403 30.300 0.043 0.000 0.869 63 R HN 1.003 nan 8.270 nan 0.000 0.445 64 G N 0.525 109.377 108.800 0.086 0.000 2.484 64 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.215 64 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.215 64 G C 1.544 176.415 174.900 -0.048 0.000 1.219 64 G CA 1.009 46.149 45.100 0.067 0.000 0.791 64 G HN 0.375 nan 8.290 nan 0.000 0.550 65 C N -0.037 119.224 119.300 -0.066 0.000 2.401 65 C HA -0.104 4.356 4.460 -0.000 0.000 0.276 65 C C 2.818 177.764 174.990 -0.073 0.000 1.233 65 C CA 1.338 60.299 59.018 -0.095 0.000 1.753 65 C CB -0.914 26.774 27.740 -0.087 0.000 2.029 65 C HN 0.620 nan 8.230 nan 0.000 0.478 66 Q N -0.044 119.739 119.800 -0.027 0.000 2.020 66 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 66 Q C 2.153 178.152 176.000 -0.001 0.000 0.974 66 Q CA 1.269 57.063 55.803 -0.014 0.000 0.829 66 Q CB -0.185 28.559 28.738 0.011 0.000 0.894 66 Q HN 0.653 nan 8.270 nan 0.000 0.433 67 L N 0.293 121.542 121.223 0.043 0.000 2.353 67 L HA -0.172 4.168 4.340 -0.000 0.000 0.220 67 L C 2.320 179.214 176.870 0.039 0.000 1.133 67 L CA 0.290 55.178 54.840 0.080 0.000 0.798 67 L CB -0.153 42.013 42.059 0.178 0.000 0.922 67 L HN 0.347 nan 8.230 nan 0.000 0.445 68 M N -1.009 118.560 119.600 -0.052 0.000 2.160 68 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 68 M C 2.227 178.440 176.300 -0.145 0.000 1.073 68 M CA 1.582 56.765 55.300 -0.196 0.000 1.142 68 M CB -0.269 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 -0.682 119.064 119.800 -0.090 0.000 2.291 69 Q HA 0.063 4.403 4.340 -0.000 0.000 0.205 69 Q C 1.623 177.607 176.000 -0.027 0.000 0.970 69 Q CA 1.417 57.188 55.803 -0.052 0.000 0.876 69 Q CB -0.346 28.361 28.738 -0.052 0.000 0.935 69 Q HN 0.556 nan 8.270 nan 0.000 0.455 70 A N -0.838 121.968 122.820 -0.024 0.000 2.275 70 A HA 0.381 4.701 4.320 -0.000 0.000 0.212 70 A C 1.565 179.146 177.584 -0.004 0.000 1.201 70 A CA 1.062 53.095 52.037 -0.006 0.000 0.843 70 A CB -0.078 18.924 19.000 0.003 0.000 0.873 70 A HN 0.390 nan 8.150 nan 0.000 0.492 71 G N -0.410 108.371 108.800 -0.032 0.000 4.148 71 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.221 71 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.221 71 G C 0.689 175.572 174.900 -0.028 0.000 1.373 71 G CA 0.657 45.729 45.100 -0.046 0.000 0.940 71 G HN 0.917 nan 8.290 nan 0.000 0.610 72 T N 1.866 116.434 114.554 0.024 0.000 2.831 72 T HA 0.443 4.793 4.350 -0.000 0.000 0.291 72 T C -0.073 174.676 174.700 0.081 0.000 0.981 72 T CA 1.347 63.478 62.100 0.051 0.000 1.174 72 T CB 0.753 69.642 68.868 0.036 0.000 0.929 72 T HN 0.839 nan 8.240 nan 0.000 0.532 73 H N 2.452 121.503 119.070 -0.032 0.000 2.996 73 H HA 0.385 4.941 4.556 -0.000 0.000 0.368 73 H C -2.339 172.942 175.328 -0.078 0.000 1.185 73 H CA -1.749 54.269 56.048 -0.051 0.000 1.160 73 H CB 1.903 31.623 29.762 -0.070 0.000 1.820 73 H HN 0.228 nan 8.280 nan 0.000 0.547 74 P HA 0.097 nan 4.420 nan 0.000 0.245 74 P C -0.212 176.996 177.300 -0.154 0.000 1.212 74 P CA 0.689 63.656 63.100 -0.223 0.000 0.774 74 P CB 0.522 32.083 31.700 -0.232 0.000 0.999 75 D N -3.398 116.996 120.400 -0.010 0.000 2.498 75 D HA 0.052 4.692 4.640 -0.000 0.000 0.223 75 D C -0.190 175.896 176.300 -0.357 0.000 1.125 75 D CA -0.091 53.885 54.000 -0.039 0.000 0.835 75 D CB 0.156 41.123 40.800 0.278 0.000 1.086 75 D HN 0.174 nan 8.370 nan 0.000 0.510 76 Y N 1.293 121.337 120.300 -0.427 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 -0.501 0.000 1.023 76 Y CA -0.529 57.379 58.100 -0.320 0.000 1.143 76 Y CB 0.360 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 3.457 123.620 120.300 -0.229 0.000 2.332 77 Y HA 0.305 4.855 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 -1.158 56.865 58.100 -0.128 0.000 1.205 77 Y CB 1.536 39.938 38.460 -0.096 0.000 1.131 77 Y HN 0.451 nan 8.280 nan 0.000 0.462 78 T N 5.229 119.809 114.554 0.043 0.000 2.723 78 T HA 0.247 4.597 4.350 -0.000 0.000 0.297 78 T C -0.004 174.680 174.700 -0.026 0.000 0.925 78 T CA -0.328 61.783 62.100 0.018 0.000 1.030 78 T CB 0.121 69.076 68.868 0.145 0.000 0.905 78 T HN 0.316 nan 8.240 nan 0.000 0.502 79 L N 4.089 125.248 121.223 -0.107 0.000 2.598 79 L HA 0.429 4.769 4.340 -0.000 0.000 0.241 79 L C 0.896 177.678 176.870 -0.146 0.000 1.244 79 L CA -0.135 54.649 54.840 -0.094 0.000 1.198 79 L CB -0.775 41.244 42.059 -0.067 0.000 1.448 79 L HN 0.708 nan 8.230 nan 0.000 0.406 80 A N 2.519 125.261 122.820 -0.129 0.000 2.371 80 A HA 0.640 4.960 4.320 -0.000 0.000 0.257 80 A C -2.002 175.540 177.584 -0.071 0.000 1.089 80 A CA -0.932 51.028 52.037 -0.128 0.000 0.794 80 A CB -0.311 18.632 19.000 -0.094 0.000 1.029 80 A HN 0.342 nan 8.150 nan 0.000 0.488 81 P HA 0.083 nan 4.420 nan 0.000 0.270 81 P C -0.582 176.706 177.300 -0.020 0.000 1.223 81 P CA -0.183 62.897 63.100 -0.034 0.000 0.785 81 P CB 0.342 32.024 31.700 -0.029 0.000 0.923 82 E N 0.773 120.967 120.200 -0.011 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 -0.002 0.000 0.981 82 E CA 0.212 56.609 56.400 -0.004 0.000 0.943 82 E CB 0.041 29.741 29.700 -0.001 0.000 0.923 82 E HN 0.184 nan 8.360 nan 0.000 0.486 83 K N 2.245 122.646 120.400 0.001 0.000 2.405 83 K HA -0.018 4.302 4.320 -0.000 0.000 0.276 83 K C 0.747 177.350 176.600 0.005 0.000 1.099 83 K CA 1.328 57.617 56.287 0.004 0.000 1.120 83 K CB -0.166 32.339 32.500 0.008 0.000 0.877 83 K HN 0.673 nan 8.250 nan 0.000 0.472 84 G N 3.819 112.622 108.800 0.004 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 -0.479 174.423 174.900 0.003 0.000 1.206 84 G CA -0.332 44.771 45.100 0.005 0.000 0.827 84 G HN 0.529 nan 8.290 nan 0.000 0.511 85 K N 0.957 121.358 120.400 0.001 0.000 2.098 85 K HA 0.450 4.770 4.320 -0.000 0.000 0.257 85 K C 0.061 176.660 176.600 -0.001 0.000 0.999 85 K CA -0.610 55.677 56.287 0.000 0.000 0.924 85 K CB 0.617 33.117 32.500 0.000 0.000 1.028 85 K HN 0.143 nan 8.250 nan 0.000 0.466 86 N N 1.203 119.902 118.700 -0.001 0.000 2.362 86 N HA -0.019 4.721 4.740 -0.000 0.000 0.204 86 N C -0.138 175.371 175.510 -0.002 0.000 1.166 86 N CA 0.260 53.309 53.050 -0.001 0.000 0.831 86 N CB 0.274 38.761 38.487 -0.000 0.000 1.008 86 N HN 0.665 nan 8.380 nan 0.000 0.472 87 T N -3.092 111.461 114.554 -0.002 0.000 2.804 87 T HA 0.630 4.980 4.350 -0.000 0.000 0.290 87 T C -0.474 174.223 174.700 -0.005 0.000 1.099 87 T CA -0.832 61.267 62.100 -0.002 0.000 1.011 87 T CB 1.865 70.733 68.868 0.000 0.000 1.291 87 T HN -0.058 nan 8.240 nan 0.000 0.523 88 L N -0.097 121.124 121.223 -0.003 0.000 2.322 88 L HA 0.839 5.179 4.340 -0.000 0.000 0.269 88 L C 0.356 177.226 176.870 -0.000 0.000 1.012 88 L CA -0.570 54.267 54.840 -0.005 0.000 0.815 88 L CB 1.626 43.681 42.059 -0.007 0.000 1.295 88 L HN 1.072 nan 8.230 nan 0.000 0.438 89 G N 0.895 109.695 108.800 -0.000 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 0.559 175.461 174.900 0.004 0.000 1.150 89 G CA -0.493 44.608 45.100 0.002 0.000 0.923 89 G HN 0.531 nan 8.290 nan 0.000 0.485 90 V N 1.008 120.924 119.914 0.004 0.000 2.720 90 V HA -0.130 3.989 4.120 -0.000 0.000 0.256 90 V C 2.081 178.177 176.094 0.003 0.000 1.082 90 V CA 1.966 64.269 62.300 0.004 0.000 1.101 90 V CB -0.581 31.244 31.823 0.003 0.000 0.693 90 V HN 0.709 nan 8.190 nan 0.000 0.479 91 D N 1.645 122.046 120.400 0.002 0.000 2.084 91 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 91 D C 2.342 178.642 176.300 -0.000 0.000 0.981 91 D CA 1.551 55.551 54.000 0.001 0.000 0.841 91 D CB -0.326 40.475 40.800 0.001 0.000 0.997 91 D HN 0.450 nan 8.370 nan 0.000 0.454 92 A N 1.560 124.380 122.820 0.001 0.000 1.903 92 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 92 A C 2.677 180.259 177.584 -0.003 0.000 1.191 92 A CA 2.147 54.184 52.037 -0.000 0.000 0.638 92 A CB -1.090 17.909 19.000 -0.001 0.000 0.823 92 A HN 0.169 nan 8.150 nan 0.000 0.451 93 V N -0.049 119.867 119.914 0.004 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 0.004 0.000 1.050 93 V CA 2.143 64.451 62.300 0.013 0.000 1.010 93 V CB -0.912 30.925 31.823 0.025 0.000 0.637 93 V HN 0.473 nan 8.190 nan 0.000 0.444 94 R N 0.289 120.788 120.500 -0.001 0.000 2.103 94 R HA -0.181 4.159 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 1.680 57.775 56.100 -0.009 0.000 0.960 94 R CB -0.634 29.661 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 1.584 178.149 176.600 -0.059 0.000 1.026 95 E CA 0.605 56.988 56.400 -0.028 0.000 0.862 95 E CB 0.273 29.965 29.700 -0.013 0.000 0.799 95 E HN 0.092 nan 8.360 nan 0.000 0.518 96 V N 0.185 120.053 119.914 -0.077 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 -0.155 0.000 1.184 96 V CA 1.028 63.227 62.300 -0.170 0.000 1.104 96 V CB 0.317 32.041 31.823 -0.165 0.000 0.799 96 V HN 0.215 nan 8.190 nan 0.000 0.462 97 T N 1.424 115.942 114.554 -0.061 0.000 2.643 97 T HA -0.208 4.142 4.350 -0.000 0.000 0.264 97 T C 1.764 176.430 174.700 -0.055 0.000 1.045 97 T CA 2.007 64.093 62.100 -0.024 0.000 1.155 97 T CB -0.259 68.604 68.868 -0.008 0.000 0.863 97 T HN 0.806 nan 8.240 nan 0.000 0.420 98 E N 1.240 121.406 120.200 -0.056 0.000 2.338 98 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 98 E C 2.053 178.610 176.600 -0.071 0.000 1.007 98 E CA 0.845 57.212 56.400 -0.055 0.000 0.849 98 E CB -0.172 29.504 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 -0.106 0.000 2.155 99 K HA -0.005 4.315 4.320 -0.000 0.000 0.203 99 K C 1.951 178.465 176.600 -0.142 0.000 1.052 99 K CA 0.640 56.849 56.287 -0.130 0.000 0.948 99 K CB 0.105 32.469 32.500 -0.225 0.000 0.728 99 K HN 0.191 nan 8.250 nan 0.000 0.448 100 L N 0.143 121.266 121.223 -0.165 0.000 2.446 100 L HA 0.017 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 0.393 55.170 54.840 -0.105 0.000 0.844 100 L CB -0.132 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 0.232 118.886 118.700 -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 0.360 53.357 53.050 -0.089 0.000 0.918 101 N CB 0.221 38.664 38.487 -0.074 0.000 0.966 101 N HN 0.508 nan 8.380 nan 0.000 0.448 102 E N 0.056 120.193 120.200 -0.105 0.000 2.227 102 E HA 0.197 4.546 4.350 -0.000 0.000 0.268 102 E C -0.778 175.768 176.600 -0.090 0.000 0.907 102 E CA -0.841 55.480 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 0.768 119.848 119.070 0.017 0.000 3.134 103 H HA -0.057 4.499 4.556 -0.000 0.000 0.326 103 H C 0.120 175.474 175.328 0.044 0.000 1.017 103 H CA 0.845 56.907 56.048 0.024 0.000 1.359 103 H CB 0.331 30.102 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 0.187 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 19.200 19.000 0.143 0.000 1.028 104 A HN 0.806 nan 8.150 nan 0.000 0.498 105 R N 1.526 122.075 120.500 0.082 0.000 2.139 105 R HA -0.157 4.183 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 1.352 57.471 56.100 0.032 0.000 0.976 105 R CB -0.248 30.048 30.300 -0.006 0.000 0.866 105 R HN 0.652 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 0.461 177.359 176.870 0.047 0.000 1.123 106 L CA 0.342 55.198 54.840 0.026 0.000 0.900 106 L CB 0.663 42.752 42.059 0.050 0.000 1.146 106 L HN 0.282 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 0.093 4.053 3.960 -0.000 0.000 0.272 107 G HA3 0.093 4.053 3.960 -0.000 0.000 0.272 107 G C 0.359 175.296 174.900 0.062 0.000 0.991 107 G CA 0.217 45.347 45.100 0.049 0.000 1.348 107 G HN 0.716 nan 8.290 nan 0.000 0.483 108 G N -0.193 108.659 108.800 0.086 0.000 2.586 108 G HA2 0.844 4.804 3.960 -0.000 0.000 0.105 108 G HA3 0.844 4.804 3.960 -0.000 0.000 0.105 108 G C -0.063 174.913 174.900 0.128 0.000 1.129 108 G CA 0.861 46.018 45.100 0.095 0.000 1.127 108 G HN 2.011 nan 8.290 nan 0.000 0.532 109 A N -0.336 122.583 122.820 0.166 0.000 2.295 109 A HA 0.823 5.143 4.320 -0.000 0.000 0.318 109 A C -0.642 177.088 177.584 0.243 0.000 1.134 109 A CA -0.201 51.983 52.037 0.244 0.000 0.827 109 A CB 1.104 20.347 19.000 0.405 0.000 1.136 109 A HN 0.530 nan 8.150 nan 0.000 0.493 110 K N 0.228 120.780 120.400 0.253 0.000 2.270 110 K HA 0.614 4.934 4.320 -0.000 0.000 0.255 110 K C -0.702 176.068 176.600 0.283 0.000 0.936 110 K CA -0.548 55.904 56.287 0.274 0.000 0.809 110 K CB 1.993 34.659 32.500 0.276 0.000 1.131 110 K HN 0.733 nan 8.250 nan 0.000 0.427 111 V N -1.082 118.982 119.914 0.250 0.000 2.823 111 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 111 V C -0.750 175.374 176.094 0.049 0.000 1.072 111 V CA -0.864 61.534 62.300 0.164 0.000 0.937 111 V CB 1.908 33.867 31.823 0.227 0.000 1.013 111 V HN 0.410 nan 8.190 nan 0.000 0.430 112 V N 3.024 122.835 119.914 -0.172 0.000 2.823 112 V HA 0.702 4.821 4.120 -0.000 0.000 0.312 112 V C -1.152 174.947 176.094 0.009 0.000 1.072 112 V CA -0.308 61.827 62.300 -0.275 0.000 0.937 112 V CB 2.069 33.316 31.823 -0.959 0.000 1.013 112 V HN 1.135 nan 8.190 nan 0.000 0.430 113 W N 3.695 124.917 121.300 -0.129 0.000 3.022 113 W HA 0.800 5.460 4.660 -0.000 0.000 0.335 113 W C -1.820 174.724 176.519 0.041 0.000 1.133 113 W CA -1.003 56.363 57.345 0.035 0.000 1.219 113 W CB 1.682 31.163 29.460 0.035 0.000 1.409 113 W HN 0.399 nan 8.180 nan 0.000 0.507 114 V N 5.208 125.116 119.914 -0.010 0.000 2.628 114 V HA 0.318 4.438 4.120 -0.000 0.000 0.306 114 V C 0.754 176.581 176.094 -0.446 0.000 1.045 114 V CA -0.254 61.924 62.300 -0.203 0.000 0.905 114 V CB 1.639 33.489 31.823 0.045 0.000 0.997 114 V HN 0.733 nan 8.190 nan 0.000 0.436 115 T N 1.297 115.582 114.554 -0.449 0.000 2.701 115 T HA -0.061 4.289 4.350 -0.000 0.000 0.263 115 T C 0.415 175.085 174.700 -0.051 0.000 1.040 115 T CA 1.531 63.429 62.100 -0.337 0.000 1.147 115 T CB -0.057 68.660 68.868 -0.253 0.000 0.865 115 T HN 0.754 nan 8.240 nan 0.000 0.426 116 D N -0.930 119.455 120.400 -0.025 0.000 2.591 116 D HA 0.443 5.083 4.640 -0.000 0.000 0.222 116 D C 0.218 176.538 176.300 0.034 0.000 1.360 116 D CA -0.238 53.786 54.000 0.039 0.000 0.967 116 D CB 1.438 42.260 40.800 0.037 0.000 1.456 116 D HN 0.106 nan 8.370 nan 0.000 0.588 117 A N 2.639 125.497 122.820 0.063 0.000 2.119 117 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 117 A C 1.781 179.392 177.584 0.045 0.000 1.153 117 A CA 1.460 53.533 52.037 0.059 0.000 0.692 117 A CB -0.009 19.041 19.000 0.084 0.000 0.799 117 A HN 0.537 nan 8.150 nan 0.000 0.458 118 A N -0.764 122.082 122.820 0.044 0.000 2.235 118 A HA 0.368 4.688 4.320 -0.000 0.000 0.208 118 A C 1.484 179.082 177.584 0.023 0.000 1.172 118 A CA 0.468 52.525 52.037 0.034 0.000 0.786 118 A CB -0.400 18.621 19.000 0.036 0.000 0.804 118 A HN 0.457 nan 8.150 nan 0.000 0.479 119 L N 0.126 121.361 121.223 0.020 0.000 2.693 119 L HA 0.271 4.611 4.340 -0.000 0.000 0.235 119 L C 0.705 177.580 176.870 0.008 0.000 1.127 119 L CA -0.286 54.560 54.840 0.011 0.000 0.914 119 L CB -0.197 41.866 42.059 0.006 0.000 1.193 119 L HN 0.479 nan 8.230 nan 0.000 0.502 120 L N -1.800 119.430 121.223 0.012 0.000 2.456 120 L HA 0.445 4.785 4.340 -0.000 0.000 0.257 120 L C -0.003 176.873 176.870 0.010 0.000 1.162 120 L CA -0.337 54.510 54.840 0.011 0.000 0.808 120 L CB 0.379 42.447 42.059 0.016 0.000 1.136 120 L HN -0.131 nan 8.230 nan 0.000 0.466 121 T N 1.151 115.709 114.554 0.008 0.000 2.919 121 T HA 0.039 4.389 4.350 -0.000 0.000 0.302 121 T C 0.821 175.525 174.700 0.008 0.000 1.031 121 T CA -0.253 61.851 62.100 0.006 0.000 1.127 121 T CB 0.741 69.611 68.868 0.005 0.000 0.952 121 T HN 0.622 nan 8.240 nan 0.000 0.540 122 D N 2.264 122.668 120.400 0.006 0.000 2.158 122 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 122 D C 2.161 178.464 176.300 0.006 0.000 0.995 122 D CA 1.447 55.451 54.000 0.006 0.000 0.846 122 D CB -0.372 40.431 40.800 0.004 0.000 0.941 122 D HN 0.658 nan 8.370 nan 0.000 0.456 123 A N 0.979 123.802 122.820 0.005 0.000 1.969 123 A HA 0.076 4.396 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 1.730 53.769 52.037 0.003 0.000 0.635 123 A CB -0.517 18.485 19.000 0.002 0.000 0.810 123 A HN 0.238 nan 8.150 nan 0.000 0.445 124 A N -0.136 122.689 122.820 0.008 0.000 2.019 124 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 124 A C 2.389 179.982 177.584 0.016 0.000 1.164 124 A CA 1.819 53.863 52.037 0.012 0.000 0.644 124 A CB -0.750 18.258 19.000 0.012 0.000 0.805 124 A HN 0.896 nan 8.150 nan 0.000 0.449 125 A N 0.511 123.339 122.820 0.015 0.000 1.841 125 A HA -0.178 4.142 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 1.489 53.536 52.037 0.017 0.000 0.611 125 A CB -0.704 18.305 19.000 0.015 0.000 0.835 125 A HN 0.608 nan 8.150 nan 0.000 0.443 126 N N 0.362 119.065 118.700 0.005 0.000 2.069 126 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 126 N C 1.964 177.472 175.510 -0.003 0.000 1.031 126 N CA 1.451 54.501 53.050 -0.001 0.000 0.852 126 N CB -0.349 38.137 38.487 -0.002 0.000 1.018 126 N HN 0.471 nan 8.380 nan 0.000 0.423 127 A N 1.119 123.939 122.820 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 0.002 0.000 1.161 127 A CA 1.021 53.058 52.037 -0.000 0.000 0.653 127 A CB -0.389 18.614 19.000 0.004 0.000 0.802 127 A HN 0.233 nan 8.150 nan 0.000 0.457 128 L N -1.326 119.902 121.223 0.008 0.000 2.202 128 L HA 0.106 4.446 4.340 -0.000 0.000 0.205 128 L C 2.083 178.935 176.870 -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 41.529 42.059 0.044 0.000 0.942 128 L HN 0.312 nan 8.230 nan 0.000 0.452 129 L N 0.224 121.431 121.223 -0.028 0.000 1.990 129 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 129 L C 2.382 179.217 176.870 -0.059 0.000 1.072 129 L CA 1.941 56.755 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 -0.765 119.607 120.400 -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 -1.484 30.994 32.500 -0.037 0.000 0.720 130 K HN 0.505 nan 8.250 nan 0.000 0.453 131 T N 1.848 116.349 114.554 -0.089 0.000 2.896 131 T HA 0.037 4.387 4.350 -0.000 0.000 0.263 131 T C 2.016 176.601 174.700 -0.191 0.000 1.050 131 T CA 0.575 62.601 62.100 -0.123 0.000 1.140 131 T CB -0.075 68.728 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 -0.217 0.000 2.376 132 L HA 0.034 4.374 4.340 -0.000 0.000 0.219 132 L C 2.553 179.369 176.870 -0.090 0.000 1.133 132 L CA 1.027 55.742 54.840 -0.207 0.000 0.816 132 L CB -0.372 41.567 42.059 -0.201 0.000 0.933 132 L HN 0.324 nan 8.230 nan 0.000 0.449 133 E N -0.148 120.002 120.200 -0.083 0.000 2.170 133 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 133 E C 0.339 176.892 176.600 -0.078 0.000 0.981 133 E CA 0.513 56.878 56.400 -0.058 0.000 0.830 133 E CB 0.375 30.046 29.700 -0.047 0.000 0.775 133 E HN 0.352 nan 8.360 nan 0.000 0.470 134 E N 1.852 121.995 120.200 -0.094 0.000 3.170 134 E HA 0.155 4.505 4.350 -0.000 0.000 0.212 134 E C -2.426 174.096 176.600 -0.130 0.000 1.143 134 E CA -1.638 54.702 56.400 -0.101 0.000 1.139 134 E CB 0.887 30.538 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 -2.445 174.737 177.300 -0.196 0.000 1.236 135 P CA -1.196 61.774 63.100 -0.216 0.000 0.811 135 P CB -0.138 31.353 31.700 -0.347 0.000 0.840 136 P HA 0.086 nan 4.420 nan 0.000 0.264 136 P C 0.276 177.484 177.300 -0.154 0.000 1.229 136 P CA 0.147 63.174 63.100 -0.122 0.000 0.780 136 P CB 0.091 31.744 31.700 -0.079 0.000 0.808 137 A N 4.625 127.354 122.820 -0.152 0.000 2.610 137 A HA -0.163 4.157 4.320 -0.000 0.000 0.250 137 A C 1.005 178.485 177.584 -0.174 0.000 0.978 137 A CA 0.644 52.583 52.037 -0.163 0.000 0.827 137 A CB -0.817 18.122 19.000 -0.100 0.000 0.867 137 A HN 0.765 nan 8.150 nan 0.000 0.495 138 E N 0.245 120.282 120.200 -0.270 0.000 2.791 138 E HA -0.183 4.167 4.350 -0.000 0.000 0.271 138 E C 0.148 176.488 176.600 -0.434 0.000 1.044 138 E CA 1.053 57.265 56.400 -0.312 0.000 0.814 138 E CB -2.237 27.415 29.700 -0.079 0.000 1.400 138 E HN 0.820 nan 8.360 nan 0.000 0.423 139 T N -0.588 113.656 114.554 -0.517 0.000 2.912 139 T HA 0.561 4.911 4.350 -0.000 0.000 0.280 139 T C -0.244 174.021 174.700 -0.724 0.000 0.989 139 T CA -0.164 61.728 62.100 -0.348 0.000 0.995 139 T CB 0.785 69.621 68.868 -0.054 0.000 1.077 139 T HN 0.212 nan 8.240 nan 0.000 0.531 140 W N 0.236 121.581 121.300 0.074 0.000 3.138 140 W HA 0.656 5.316 4.660 -0.000 0.000 0.331 140 W C -1.457 175.010 176.519 -0.087 0.000 1.166 140 W CA -0.795 56.517 57.345 -0.055 0.000 1.212 140 W CB 1.230 30.534 29.460 -0.260 0.000 1.399 140 W HN 0.417 nan 8.180 nan 0.000 0.514 141 F N 1.916 121.749 119.950 -0.196 0.000 2.563 141 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 141 F C -0.844 174.660 175.800 -0.494 0.000 1.076 141 F CA -1.495 56.379 58.000 -0.210 0.000 0.921 141 F CB 1.444 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 4.071 124.220 119.950 0.332 0.000 2.828 142 F HA 0.388 4.915 4.527 -0.000 0.000 0.355 142 F C -0.752 175.267 175.800 0.365 0.000 1.200 142 F CA -0.781 57.402 58.000 0.305 0.000 1.062 142 F CB 0.833 39.958 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 0.064 177.154 176.870 0.367 0.000 1.136 143 L CA -0.645 54.408 54.840 0.356 0.000 0.804 143 L CB 1.539 43.747 42.059 0.248 0.000 1.181 143 L HN 0.675 nan 8.230 nan 0.000 0.469 144 A N 0.556 123.553 122.820 0.295 0.000 2.532 144 A HA 0.691 5.011 4.320 -0.000 0.000 0.296 144 A C -0.899 176.805 177.584 0.201 0.000 1.058 144 A CA -0.341 51.865 52.037 0.282 0.000 0.729 144 A CB 1.549 20.793 19.000 0.406 0.000 1.285 144 A HN 0.631 nan 8.150 nan 0.000 0.396 145 T N 1.453 116.110 114.554 0.172 0.000 3.047 145 T HA 0.339 4.689 4.350 -0.000 0.000 0.340 145 T C 1.130 175.903 174.700 0.122 0.000 1.421 145 T CA -0.334 61.844 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 1.854 122.416 120.500 0.102 0.000 2.066 146 R HA 0.037 4.377 4.340 -0.000 0.000 0.232 146 R C 0.606 176.952 176.300 0.077 0.000 1.131 146 R CA 0.913 57.070 56.100 0.094 0.000 0.955 146 R CB -0.125 30.219 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 0.060 0.000 2.101 147 E HA 0.199 4.549 4.350 -0.000 0.000 0.260 147 E C -2.213 174.413 176.600 0.043 0.000 0.897 147 E CA -2.520 53.906 56.400 0.042 0.000 0.744 147 E CB 1.964 31.680 29.700 0.027 0.000 1.140 147 E HN 0.104 nan 8.360 nan 0.000 0.419 148 P HA -0.039 nan 4.420 nan 0.000 0.241 148 P C 0.273 177.588 177.300 0.025 0.000 1.191 148 P CA 0.536 63.661 63.100 0.042 0.000 0.771 148 P CB 0.552 32.282 31.700 0.049 0.000 0.929 149 E N 0.836 121.045 120.200 0.014 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 0.706 57.110 56.400 0.007 0.000 0.807 149 E CB -0.957 28.742 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 0.134 4.474 4.340 -0.000 0.000 0.216 150 R C -0.448 175.863 176.300 0.018 0.000 1.295 150 R CA -0.054 56.054 56.100 0.013 0.000 1.246 150 R CB -0.538 29.769 30.300 0.012 0.000 1.057 150 R HN 0.083 nan 8.270 nan 0.000 0.490 151 L N 0.225 121.460 121.223 0.020 0.000 2.354 151 L HA 0.321 4.661 4.340 -0.000 0.000 0.269 151 L C -0.460 176.421 176.870 0.018 0.000 1.005 151 L CA -0.862 53.992 54.840 0.024 0.000 0.819 151 L CB 1.656 43.736 42.059 0.034 0.000 1.311 151 L HN -0.002 nan 8.230 nan 0.000 0.423 152 L N 4.909 126.143 121.223 0.017 0.000 2.615 152 L HA 0.026 4.366 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 0.424 55.271 54.840 0.012 0.000 0.933 152 L CB 0.756 42.822 42.059 0.011 0.000 1.199 152 L HN 0.997 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 -0.277 4.043 4.320 -0.000 0.000 0.222 153 A C 2.305 179.893 177.584 0.007 0.000 1.182 153 A CA 2.572 54.613 52.037 0.007 0.000 0.649 153 A CB -0.629 18.373 19.000 0.005 0.000 0.818 153 A HN 0.831 nan 8.150 nan 0.000 0.458 154 T N -1.700 112.858 114.554 0.006 0.000 2.951 154 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 154 T C 1.713 176.415 174.700 0.005 0.000 1.073 154 T CA 1.332 63.435 62.100 0.005 0.000 1.134 154 T CB -0.279 68.591 68.868 0.002 0.000 0.884 154 T HN 0.302 nan 8.240 nan 0.000 0.479 155 L N 1.802 123.029 121.223 0.007 0.000 2.102 155 L HA 0.230 4.570 4.340 -0.000 0.000 0.202 155 L C 2.605 179.481 176.870 0.011 0.000 1.076 155 L CA 1.846 56.691 54.840 0.008 0.000 0.761 155 L CB -0.882 41.186 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 -0.059 4.281 4.340 -0.000 0.000 0.202 156 R C 1.743 178.045 176.300 0.003 0.000 1.047 156 R CA 1.183 57.292 56.100 0.014 0.000 1.034 156 R CB -0.327 29.984 30.300 0.019 0.000 0.875 156 R HN 0.507 nan 8.270 nan 0.000 0.473 157 S N -0.298 115.404 115.700 0.004 0.000 2.470 157 S HA 0.127 4.597 4.470 -0.000 0.000 0.222 157 S C 1.801 176.407 174.600 0.011 0.000 1.024 157 S CA -0.443 57.761 58.200 0.006 0.000 0.931 157 S CB 0.147 63.353 63.200 0.011 0.000 0.791 157 S HN 0.286 nan 8.310 nan 0.000 0.513 158 R N 0.597 121.102 120.500 0.009 0.000 2.161 158 R HA 0.211 4.551 4.340 -0.000 0.000 0.213 158 R C 0.610 176.919 176.300 0.015 0.000 1.055 158 R CA 0.538 56.653 56.100 0.025 0.000 0.996 158 R CB -0.643 29.659 30.300 0.002 0.000 0.901 158 R HN 0.509 nan 8.270 nan 0.000 0.456 159 C N 0.330 119.599 119.300 -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 1.302 29.021 27.740 -0.035 0.000 2.282 159 C HN 0.245 nan 8.230 nan 0.000 0.564 160 R N 0.710 120.941 120.500 -0.448 0.000 2.215 160 R HA 0.544 4.884 4.340 -0.000 0.000 0.336 160 R C -1.346 174.925 176.300 -0.050 0.000 0.996 160 R CA -0.457 55.449 56.100 -0.323 0.000 0.847 160 R CB 0.181 30.234 30.300 -0.412 0.000 1.127 160 R HN 0.666 nan 8.270 nan 0.000 0.465 161 L N 4.181 125.405 121.223 0.002 0.000 2.416 161 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 161 L C 0.107 177.065 176.870 0.148 0.000 1.161 161 L CA 0.182 55.072 54.840 0.084 0.000 0.845 161 L CB 0.625 42.718 42.059 0.055 0.000 1.119 161 L HN 0.581 nan 8.230 nan 0.000 0.464 162 H N 2.140 121.267 119.070 0.093 0.000 2.823 162 H HA 0.307 4.862 4.556 -0.000 0.000 0.332 162 H C -1.459 173.968 175.328 0.165 0.000 0.980 162 H CA -0.812 55.300 56.048 0.107 0.000 1.286 162 H CB 0.852 30.664 29.762 0.083 0.000 1.541 162 H HN 0.552 nan 8.280 nan 0.000 0.521 163 Y N 6.420 126.706 120.300 -0.023 0.000 2.452 163 Y HA 0.235 4.785 4.550 -0.000 0.000 0.348 163 Y C -1.067 174.889 175.900 0.094 0.000 0.985 163 Y CA -0.705 57.419 58.100 0.040 0.000 1.214 163 Y CB -0.064 38.382 38.460 -0.022 0.000 1.136 163 Y HN 0.664 nan 8.280 nan 0.000 0.523 167 P HA 0.307 nan 4.420 nan 0.000 0.274 167 P C -2.515 174.635 177.300 -0.251 0.000 1.231 167 P CA -1.076 61.878 63.100 -0.243 0.000 0.790 167 P CB -0.298 31.249 31.700 -0.256 0.000 0.951 168 P HA -0.016 nan 4.420 nan 0.000 0.261 168 P C 0.972 178.075 177.300 -0.329 0.000 1.173 168 P CA 0.421 63.277 63.100 -0.408 0.000 0.760 168 P CB 0.291 31.539 31.700 -0.754 0.000 0.783 169 E N 2.113 122.192 120.200 -0.202 0.000 2.114 169 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 169 E C 1.692 178.259 176.600 -0.056 0.000 1.008 169 E CA 1.356 57.690 56.400 -0.110 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 -0.199 119.558 119.800 -0.071 0.000 2.135 170 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 170 Q C 2.014 178.159 176.000 0.241 0.000 0.981 170 Q CA 1.409 57.253 55.803 0.068 0.000 0.856 170 Q CB -0.395 28.400 28.738 0.095 0.000 0.902 170 Q HN 0.609 nan 8.270 nan 0.000 0.425 171 Y N 0.564 120.867 120.300 0.005 0.000 2.220 171 Y HA -0.057 4.493 4.550 -0.000 0.000 0.291 171 Y C 2.709 178.642 175.900 0.056 0.000 1.129 171 Y CA 0.058 58.176 58.100 0.031 0.000 1.161 171 Y CB -0.142 38.322 38.460 0.008 0.000 0.997 171 Y HN 0.154 nan 8.280 nan 0.000 0.522 172 A N 0.139 123.034 122.820 0.125 0.000 1.933 172 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 172 A C 2.283 179.971 177.584 0.175 0.000 1.175 172 A CA 1.665 53.731 52.037 0.049 0.000 0.628 172 A CB -1.053 17.877 19.000 -0.117 0.000 0.814 172 A HN 0.251 nan 8.150 nan 0.000 0.444 173 V N -0.811 119.176 119.914 0.121 0.000 2.307 173 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 173 V C 2.677 178.831 176.094 0.099 0.000 1.045 173 V CA 2.384 64.740 62.300 0.094 0.000 1.024 173 V CB -1.417 30.437 31.823 0.051 0.000 0.651 173 V HN 0.544 nan 8.190 nan 0.000 0.449 174 T N 0.140 114.769 114.554 0.126 0.000 2.665 174 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 174 T C 1.556 176.333 174.700 0.128 0.000 1.035 174 T CA 2.109 64.270 62.100 0.102 0.000 1.151 174 T CB -0.419 68.518 68.868 0.115 0.000 0.862 174 T HN 0.788 nan 8.240 nan 0.000 0.438 175 W N 1.849 123.184 121.300 0.058 0.000 2.338 175 W HA -0.132 4.528 4.660 -0.000 0.000 0.304 175 W C 1.576 178.130 176.519 0.058 0.000 1.212 175 W CA 0.890 58.292 57.345 0.095 0.000 1.264 175 W CB -0.935 28.657 29.460 0.221 0.000 1.142 175 W HN 0.281 nan 8.180 nan 0.000 0.512 176 L N 2.092 123.295 121.223 -0.034 0.000 2.056 176 L HA -0.261 4.079 4.340 -0.000 0.000 0.207 176 L C 3.112 179.829 176.870 -0.255 0.000 1.078 176 L CA 2.068 56.784 54.840 -0.207 0.000 0.749 176 L CB -1.147 40.932 42.059 0.035 0.000 0.901 176 L HN 0.057 nan 8.230 nan 0.000 0.433 177 S N -0.372 115.230 115.700 -0.163 0.000 2.423 177 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 177 S C 2.086 176.560 174.600 -0.209 0.000 1.028 177 S CA 0.867 58.962 58.200 -0.175 0.000 1.000 177 S CB -0.312 62.822 63.200 -0.110 0.000 0.797 177 S HN 0.334 nan 8.310 nan 0.000 0.487 178 R N 1.278 121.628 120.500 -0.251 0.000 2.062 178 R HA 0.172 4.511 4.340 -0.000 0.000 0.226 178 R C 2.236 178.356 176.300 -0.300 0.000 1.125 178 R CA 1.191 57.136 56.100 -0.258 0.000 0.966 178 R CB -0.907 29.230 30.300 -0.271 0.000 0.861 178 R HN 0.535 nan 8.270 nan 0.000 0.433 179 E N 1.096 121.042 120.200 -0.422 0.000 2.338 179 E HA -0.035 4.315 4.350 -0.000 0.000 0.197 179 E C 0.531 176.984 176.600 -0.245 0.000 1.007 179 E CA 0.510 56.701 56.400 -0.347 0.000 0.849 179 E CB 0.102 29.545 29.700 -0.428 0.000 0.774 179 E HN 0.180 nan 8.360 nan 0.000 0.506 180 V N -2.077 117.668 119.914 -0.282 0.000 2.950 180 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 180 V C -0.424 175.472 176.094 -0.330 0.000 1.297 180 V CA -1.104 61.011 62.300 -0.309 0.000 0.962 180 V CB 1.551 33.098 31.823 -0.459 0.000 1.081 180 V HN 0.016 nan 8.190 nan 0.000 0.432 181 T N 2.953 117.344 114.554 -0.272 0.000 2.728 181 T HA 0.825 5.175 4.350 -0.000 0.000 0.296 181 T C -0.351 174.174 174.700 -0.291 0.000 0.940 181 T CA -0.428 61.528 62.100 -0.240 0.000 1.013 181 T CB 0.836 69.607 68.868 -0.163 0.000 0.912 181 T HN 0.776 nan 8.240 nan 0.000 0.484 182 M N 2.363 121.770 119.600 -0.322 0.000 2.682 182 M HA 0.365 4.845 4.480 -0.000 0.000 0.272 182 M C -0.112 176.033 176.300 -0.259 0.000 1.232 182 M CA -0.604 54.490 55.300 -0.345 0.000 0.849 182 M CB 2.494 34.743 32.600 -0.585 0.000 1.695 182 M HN 0.883 nan 8.290 nan 0.000 0.481 183 S N 0.808 116.376 115.700 -0.220 0.000 2.558 183 S HA 0.096 4.566 4.470 -0.000 0.000 0.288 183 S C 0.802 175.310 174.600 -0.153 0.000 1.318 183 S CA -0.158 57.950 58.200 -0.154 0.000 1.056 183 S CB 0.626 63.754 63.200 -0.119 0.000 0.853 183 S HN 0.681 nan 8.310 nan 0.000 0.505 184 Q N 1.652 121.391 119.800 -0.103 0.000 2.181 184 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 184 Q C 1.170 177.135 176.000 -0.059 0.000 0.980 184 Q CA 2.039 57.796 55.803 -0.076 0.000 0.862 184 Q CB -0.430 28.280 28.738 -0.046 0.000 0.905 184 Q HN 0.833 nan 8.270 nan 0.000 0.429 185 D N 0.911 121.279 120.400 -0.054 0.000 2.149 185 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 185 D C 1.732 178.012 176.300 -0.033 0.000 0.990 185 D CA 1.475 55.460 54.000 -0.025 0.000 0.839 185 D CB -0.138 40.654 40.800 -0.013 0.000 0.948 185 D HN 0.294 nan 8.370 nan 0.000 0.460 186 A N 0.536 123.276 122.820 -0.132 0.000 1.840 186 A HA -0.053 4.267 4.320 -0.000 0.000 0.214 186 A C 2.195 179.673 177.584 -0.178 0.000 1.198 186 A CA 0.684 52.523 52.037 -0.330 0.000 0.608 186 A CB -0.910 17.693 19.000 -0.662 0.000 0.839 186 A HN 0.169 nan 8.150 nan 0.000 0.443 187 L N -0.995 120.171 121.223 -0.096 0.000 2.064 187 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 187 L C 2.612 179.521 176.870 0.065 0.000 1.077 187 L CA 1.658 56.517 54.840 0.032 0.000 0.766 187 L CB -0.573 41.459 42.059 -0.044 0.000 0.890 187 L HN 0.472 nan 8.230 nan 0.000 0.435 188 L N -0.295 120.946 121.223 0.030 0.000 2.093 188 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 188 L C 2.616 179.529 176.870 0.071 0.000 1.085 188 L CA 1.886 56.751 54.840 0.042 0.000 0.755 188 L CB -0.665 41.410 42.059 0.026 0.000 0.904 188 L HN 0.148 nan 8.230 nan 0.000 0.435 189 A N -0.392 122.488 122.820 0.099 0.000 1.883 189 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 189 A C 2.479 180.172 177.584 0.182 0.000 1.186 189 A CA 1.975 54.116 52.037 0.174 0.000 0.624 189 A CB -1.247 17.965 19.000 0.354 0.000 0.822 189 A HN 0.540 nan 8.150 nan 0.000 0.444 190 A N -0.566 122.360 122.820 0.176 0.000 1.883 190 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 190 A C 2.171 179.820 177.584 0.108 0.000 1.186 190 A CA 1.891 54.005 52.037 0.128 0.000 0.624 190 A CB -0.726 18.279 19.000 0.009 0.000 0.822 190 A HN 0.689 nan 8.150 nan 0.000 0.444 191 L N -0.052 121.228 121.223 0.096 0.000 1.989 191 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 191 L C 2.567 179.466 176.870 0.048 0.000 1.071 191 L CA 2.199 57.074 54.840 0.058 0.000 0.749 191 L CB -0.523 41.558 42.059 0.037 0.000 0.890 191 L HN 0.370 nan 8.230 nan 0.000 0.431 192 R N -0.726 119.807 120.500 0.056 0.000 2.120 192 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 192 R C 1.722 178.065 176.300 0.072 0.000 1.123 192 R CA 1.117 57.247 56.100 0.051 0.000 0.975 192 R CB -0.511 29.817 30.300 0.046 0.000 0.866 192 R HN 0.357 nan 8.270 nan 0.000 0.446 193 L N 0.671 121.953 121.223 0.099 0.000 2.718 193 L HA 0.056 4.396 4.340 -0.000 0.000 0.242 193 L C 0.405 177.363 176.870 0.146 0.000 1.203 193 L CA 0.309 55.229 54.840 0.134 0.000 1.011 193 L CB 0.413 42.574 42.059 0.170 0.000 1.250 193 L HN 0.009 nan 8.230 nan 0.000 0.437 194 S N -0.569 115.191 115.700 0.100 0.000 3.067 194 S HA 0.296 4.765 4.470 -0.000 0.000 0.253 194 S C 0.951 175.580 174.600 0.048 0.000 0.942 194 S CA 0.167 58.414 58.200 0.079 0.000 1.197 194 S CB 1.045 64.282 63.200 0.062 0.000 1.143 194 S HN 0.330 nan 8.310 nan 0.000 0.638 195 A N 0.566 123.417 122.820 0.051 0.000 2.847 195 A HA 0.001 4.321 4.320 -0.000 0.000 0.263 195 A C 1.654 179.243 177.584 0.008 0.000 1.391 195 A CA 1.474 53.531 52.037 0.034 0.000 0.866 195 A CB -2.069 16.954 19.000 0.038 0.000 1.057 195 A HN 1.860 nan 8.150 nan 0.000 0.673 196 G N -2.322 106.473 108.800 -0.008 0.000 2.213 196 G HA2 0.064 4.024 3.960 -0.000 0.000 0.226 196 G HA3 0.064 4.024 3.960 -0.000 0.000 0.226 196 G C 0.700 175.532 174.900 -0.112 0.000 0.992 196 G CA 1.183 46.250 45.100 -0.055 0.000 0.632 196 G HN 2.353 nan 8.290 nan 0.000 0.511 197 S N 1.790 117.441 115.700 -0.081 0.000 2.509 197 S HA 0.445 4.915 4.470 -0.000 0.000 0.287 197 S C -0.333 174.184 174.600 -0.138 0.000 1.248 197 S CA -0.016 58.111 58.200 -0.122 0.000 1.089 197 S CB 1.215 64.391 63.200 -0.040 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 1.540 178.810 177.300 -0.050 0.000 1.153 198 P CA 0.711 63.659 63.100 -0.253 0.000 0.798 198 P CB -0.124 31.090 31.700 -0.811 0.000 0.796 199 G N 0.487 109.232 108.800 -0.091 0.000 2.404 199 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 199 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 199 G C 1.647 176.612 174.900 0.108 0.000 1.174 199 G CA 0.861 45.994 45.100 0.055 0.000 0.780 199 G HN 0.279 nan 8.290 nan 0.000 0.537 200 A N 1.197 124.060 122.820 0.071 0.000 1.898 200 A HA 0.292 4.612 4.320 -0.000 0.000 0.216 200 A C 2.814 180.457 177.584 0.099 0.000 1.181 200 A CA 2.175 54.262 52.037 0.084 0.000 0.620 200 A CB -0.832 18.204 19.000 0.061 0.000 0.819 200 A HN 0.771 nan 8.150 nan 0.000 0.442 201 A N 0.143 123.020 122.820 0.095 0.000 1.859 201 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 201 A C 2.191 179.896 177.584 0.202 0.000 1.198 201 A CA 1.705 53.815 52.037 0.122 0.000 0.629 201 A CB -0.848 18.230 19.000 0.129 0.000 0.830 201 A HN 0.594 nan 8.150 nan 0.000 0.446 202 L N -0.437 120.937 121.223 0.251 0.000 2.021 202 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 202 L C 2.649 179.690 176.870 0.285 0.000 1.074 202 L CA 2.659 57.683 54.840 0.306 0.000 0.760 202 L CB -1.043 41.179 42.059 0.271 0.000 0.889 202 L HN 0.439 nan 8.230 nan 0.000 0.433 203 A N -0.422 122.520 122.820 0.203 0.000 2.070 203 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 203 A C 2.237 179.907 177.584 0.144 0.000 1.159 203 A CA 1.113 53.251 52.037 0.168 0.000 0.656 203 A CB -0.563 18.518 19.000 0.136 0.000 0.800 203 A HN 0.556 nan 8.150 nan 0.000 0.453 204 L N -2.026 119.255 121.223 0.097 0.000 2.191 204 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 204 L C 2.149 179.004 176.870 -0.025 0.000 1.103 204 L CA 1.188 56.030 54.840 0.003 0.000 0.769 204 L CB -0.316 41.673 42.059 -0.117 0.000 0.908 204 L HN 0.464 nan 8.230 nan 0.000 0.438 205 F N -0.936 119.117 119.950 0.172 0.000 2.317 205 F HA 0.021 4.548 4.527 -0.000 0.000 0.293 205 F C 1.815 177.683 175.800 0.114 0.000 1.085 205 F CA -0.185 57.900 58.000 0.141 0.000 1.390 205 F CB -0.426 38.611 39.000 0.062 0.000 1.077 205 F HN -0.040 nan 8.300 nan 0.000 0.517 209 N N 0.841 119.661 118.700 0.200 0.000 2.036 209 N HA -0.187 4.553 4.740 -0.000 0.000 0.199 209 N C 1.332 176.925 175.510 0.139 0.000 1.036 209 N CA 1.827 55.018 53.050 0.235 0.000 0.870 209 N CB -0.321 38.338 38.487 0.286 0.000 1.055 209 N HN 0.409 nan 8.380 nan 0.000 0.436 210 W N 2.061 123.364 121.300 0.005 0.000 2.338 210 W HA -0.193 4.467 4.660 -0.000 0.000 0.304 210 W C 1.913 178.368 176.519 -0.106 0.000 1.212 210 W CA 1.152 58.437 57.345 -0.100 0.000 1.264 210 W CB 0.044 29.521 29.460 0.030 0.000 1.142 210 W HN 0.224 nan 8.180 nan 0.000 0.512 211 Q N 0.043 119.921 119.800 0.129 0.000 2.079 211 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 211 Q C 2.353 178.313 176.000 -0.067 0.000 0.974 211 Q CA 1.814 57.646 55.803 0.047 0.000 0.840 211 Q CB -1.368 27.425 28.738 0.091 0.000 0.898 211 Q HN 0.320 nan 8.270 nan 0.000 0.430 212 A N 1.196 123.990 122.820 -0.043 0.000 2.019 212 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 212 A C 2.170 179.658 177.584 -0.159 0.000 1.164 212 A CA 1.372 53.389 52.037 -0.033 0.000 0.644 212 A CB -0.416 18.626 19.000 0.069 0.000 0.805 212 A HN 0.211 nan 8.150 nan 0.000 0.449 213 R N -0.305 119.894 120.500 -0.502 0.000 2.119 213 R HA -0.049 4.291 4.340 -0.000 0.000 0.222 213 R C 1.739 177.639 176.300 -0.668 0.000 1.088 213 R CA 1.253 56.762 56.100 -0.986 0.000 0.984 213 R CB -0.156 29.004 30.300 -1.900 0.000 0.884 213 R HN 0.673 nan 8.270 nan 0.000 0.447 214 E N -0.692 119.204 120.200 -0.506 0.000 2.150 214 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 214 E C 1.600 178.084 176.600 -0.192 0.000 0.985 214 E CA 1.496 57.714 56.400 -0.304 0.000 0.814 214 E CB 0.104 29.710 29.700 -0.156 0.000 0.752 214 E HN 0.288 nan 8.360 nan 0.000 0.466 215 T N 1.550 116.009 114.554 -0.158 0.000 2.833 215 T HA -0.107 4.243 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 62.614 62.100 -0.097 0.000 1.135 215 T CB -0.050 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 0.281 121.427 121.223 -0.127 0.000 2.056 216 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 216 L C 2.298 179.093 176.870 -0.125 0.000 1.078 216 L CA 1.229 56.011 54.840 -0.098 0.000 0.749 216 L CB -0.310 41.707 42.059 -0.070 0.000 0.901 216 L HN 0.367 nan 8.230 nan 0.000 0.433 217 C N -0.647 118.550 119.300 -0.172 0.000 2.448 217 C HA -0.089 4.371 4.460 -0.000 0.000 0.280 217 C C 2.600 177.519 174.990 -0.120 0.000 1.398 217 C CA 0.265 59.189 59.018 -0.157 0.000 1.774 217 C CB -0.627 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 0.741 120.479 119.800 -0.103 0.000 2.096 218 Q HA -0.021 4.319 4.340 -0.000 0.000 0.197 218 Q C 2.535 178.502 176.000 -0.056 0.000 0.964 218 Q CA 1.513 57.273 55.803 -0.072 0.000 0.838 218 Q CB -0.256 28.443 28.738 -0.065 0.000 0.906 218 Q HN 0.699 nan 8.270 nan 0.000 0.444 219 A N 0.983 123.763 122.820 -0.067 0.000 1.902 219 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 219 A C 2.004 179.534 177.584 -0.090 0.000 1.181 219 A CA 0.882 52.888 52.037 -0.051 0.000 0.623 219 A CB -0.694 18.270 19.000 -0.060 0.000 0.818 219 A HN 0.348 nan 8.150 nan 0.000 0.443 220 L N -0.689 120.440 121.223 -0.156 0.000 2.083 220 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 220 L C 2.862 179.570 176.870 -0.270 0.000 1.083 220 L CA 1.610 56.286 54.840 -0.273 0.000 0.752 220 L CB -0.627 41.299 42.059 -0.221 0.000 0.899 220 L HN 0.463 nan 8.230 nan 0.000 0.433 221 A N -1.411 121.313 122.820 -0.159 0.000 2.067 221 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 221 A C 2.007 179.524 177.584 -0.112 0.000 1.158 221 A CA 1.259 53.216 52.037 -0.133 0.000 0.661 221 A CB -0.609 18.343 19.000 -0.080 0.000 0.801 221 A HN 0.590 nan 8.150 nan 0.000 0.452 222 Y N 1.489 121.682 120.300 -0.178 0.000 2.231 222 Y HA -0.125 4.425 4.550 -0.000 0.000 0.294 222 Y C 2.793 178.586 175.900 -0.178 0.000 1.120 222 Y CA 1.589 59.602 58.100 -0.145 0.000 1.141 222 Y CB -0.553 37.834 38.460 -0.122 0.000 1.022 222 Y HN 0.376 nan 8.280 nan 0.000 0.523 223 S N -0.471 114.944 115.700 -0.474 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 1.437 59.242 58.200 -0.658 0.000 0.993 223 S CB -1.314 61.427 63.200 -0.765 0.000 0.859 223 S HN 0.249 nan 8.310 nan 0.000 0.453 224 V N 4.211 123.773 119.914 -0.587 0.000 2.250 224 V HA -0.149 3.971 4.120 -0.000 0.000 0.253 224 V C 0.180 176.136 176.094 -0.231 0.000 1.065 224 V CA 2.460 64.556 62.300 -0.340 0.000 1.039 224 V CB -1.627 30.001 31.823 -0.325 0.000 0.647 224 V HN 0.540 nan 8.190 nan 0.000 0.446 225 P HA -0.050 nan 4.420 nan 0.000 0.224 225 P C 1.825 179.098 177.300 -0.044 0.000 1.157 225 P CA 1.804 64.838 63.100 -0.110 0.000 0.799 225 P CB 0.015 31.651 31.700 -0.108 0.000 0.809 226 S N -1.166 114.385 115.700 -0.248 0.000 2.446 226 S HA 0.221 4.691 4.470 -0.000 0.000 0.225 226 S C 1.896 176.448 174.600 -0.079 0.000 1.016 226 S CA 1.239 59.285 58.200 -0.256 0.000 0.943 226 S CB -1.147 61.637 63.200 -0.693 0.000 0.786 226 S HN 0.295 nan 8.310 nan 0.000 0.508 227 G N 1.428 110.234 108.800 0.009 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 0.006 175.096 174.900 0.316 0.000 1.021 227 G CA 0.212 45.449 45.100 0.228 0.000 0.619 227 G HN 0.639 nan 8.290 nan 0.000 0.510 228 D N 0.508 120.976 120.400 0.113 0.000 2.441 228 D HA 0.195 4.834 4.640 -0.000 0.000 0.243 228 D C 0.891 177.303 176.300 0.187 0.000 1.257 228 D CA -0.328 53.786 54.000 0.189 0.000 1.027 228 D CB -0.328 40.587 40.800 0.192 0.000 1.084 228 D HN 0.442 nan 8.370 nan 0.000 0.514 229 W N 2.028 123.384 121.300 0.094 0.000 2.658 229 W HA -0.045 4.615 4.660 -0.000 0.000 0.263 229 W C 1.599 178.208 176.519 0.149 0.000 1.274 229 W CA -0.180 57.221 57.345 0.094 0.000 1.343 229 W CB -0.615 28.887 29.460 0.069 0.000 1.106 229 W HN 0.478 nan 8.180 nan 0.000 0.615 230 Y N 1.590 122.032 120.300 0.235 0.000 2.651 230 Y HA -0.164 4.386 4.550 -0.000 0.000 0.296 230 Y C 2.366 178.334 175.900 0.114 0.000 1.150 230 Y CA 1.050 59.241 58.100 0.151 0.000 1.348 230 Y CB -0.658 37.873 38.460 0.117 0.000 0.983 230 Y HN -0.036 nan 8.280 nan 0.000 0.555 231 S N -1.050 114.670 115.700 0.033 0.000 2.489 231 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 231 S C 1.751 176.316 174.600 -0.058 0.000 0.995 231 S CA 0.801 58.973 58.200 -0.046 0.000 0.934 231 S CB -0.736 62.533 63.200 0.116 0.000 0.771 231 S HN 0.511 nan 8.310 nan 0.000 0.522 232 L N 0.498 121.716 121.223 -0.010 0.000 2.376 232 L HA 0.081 4.421 4.340 -0.000 0.000 0.219 232 L C 2.375 179.246 176.870 0.002 0.000 1.133 232 L CA 0.196 55.035 54.840 -0.001 0.000 0.816 232 L CB -0.604 41.481 42.059 0.042 0.000 0.933 232 L HN 0.294 nan 8.230 nan 0.000 0.449 233 L N 0.808 122.014 121.223 -0.029 0.000 2.064 233 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 233 L C 2.641 179.501 176.870 -0.017 0.000 1.077 233 L CA 2.259 57.084 54.840 -0.025 0.000 0.766 233 L CB -0.863 41.124 42.059 -0.120 0.000 0.890 233 L HN 0.240 nan 8.230 nan 0.000 0.435 234 A N -1.224 121.567 122.820 -0.049 0.000 1.930 234 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 234 A C 2.407 180.001 177.584 0.017 0.000 1.175 234 A CA 1.694 53.718 52.037 -0.021 0.000 0.627 234 A CB -0.969 18.003 19.000 -0.046 0.000 0.815 234 A HN 0.558 nan 8.150 nan 0.000 0.443 235 A N -0.622 122.203 122.820 0.009 0.000 1.929 235 A HA 0.112 4.432 4.320 -0.000 0.000 0.216 235 A C 2.114 179.730 177.584 0.053 0.000 1.176 235 A CA 1.388 53.439 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 0.457 nan 8.150 nan 0.000 0.444 236 L N -1.139 120.120 121.223 0.060 0.000 2.200 236 L HA 0.063 4.403 4.340 -0.000 0.000 0.200 236 L C 1.227 178.154 176.870 0.096 0.000 1.072 236 L CA 0.139 55.024 54.840 0.075 0.000 0.787 236 L CB -0.397 41.709 42.059 0.079 0.000 0.957 236 L HN 0.428 nan 8.230 nan 0.000 0.459 237 N N 0.831 119.585 118.700 0.089 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 0.142 0.000 1.283 237 N CA 0.144 53.249 53.050 0.091 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 1.568 120.645 119.070 0.013 0.000 3.024 238 H HA -0.009 4.547 4.556 -0.000 0.000 0.324 238 H C 0.011 175.340 175.328 0.001 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 1.162 121.523 120.200 0.268 0.000 2.160 239 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 239 E C 0.290 177.024 176.600 0.225 0.000 0.991 239 E CA 1.046 57.568 56.400 0.203 0.000 0.810 239 E CB 0.321 30.077 29.700 0.092 0.000 0.742 239 E HN 0.442 nan 8.360 nan 0.000 0.466 240 Q N -0.258 119.741 119.800 0.331 0.000 2.387 240 Q HA 0.115 4.455 4.340 -0.000 0.000 0.211 240 Q C 1.490 177.436 176.000 -0.091 0.000 0.952 240 Q CA 0.515 56.295 55.803 -0.039 0.000 0.957 240 Q CB 0.120 28.688 28.738 -0.284 0.000 1.002 240 Q HN 0.313 nan 8.270 nan 0.000 0.502 241 A N 2.491 125.319 122.820 0.014 0.000 1.903 241 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 241 A C -0.252 177.301 177.584 -0.051 0.000 1.191 241 A CA 1.693 53.730 52.037 0.001 0.000 0.638 241 A CB -1.443 17.581 19.000 0.041 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 1.584 178.787 177.300 -0.162 0.000 1.153 242 P CA 1.970 65.020 63.100 -0.083 0.000 0.848 242 P CB -0.228 31.427 31.700 -0.075 0.000 0.787 243 A N 0.325 122.983 122.820 -0.270 0.000 1.972 243 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 243 A C 2.418 179.534 177.584 -0.781 0.000 1.169 243 A CA 1.263 52.999 52.037 -0.502 0.000 0.635 243 A CB -1.047 17.606 19.000 -0.578 0.000 0.810 243 A HN 0.099 nan 8.150 nan 0.000 0.446 244 R N -1.167 119.032 120.500 -0.500 0.000 2.093 244 R HA 0.040 4.380 4.340 -0.000 0.000 0.224 244 R C 1.772 178.059 176.300 -0.022 0.000 1.101 244 R CA 0.806 56.758 56.100 -0.246 0.000 0.979 244 R CB -0.325 29.943 30.300 -0.054 0.000 0.877 244 R HN 0.337 nan 8.270 nan 0.000 0.441 245 L N 0.381 121.593 121.223 -0.020 0.000 2.083 245 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 245 L C 2.311 179.238 176.870 0.094 0.000 1.083 245 L CA 1.870 56.745 54.840 0.058 0.000 0.752 245 L CB -1.219 40.871 42.059 0.051 0.000 0.899 245 L HN 0.247 nan 8.230 nan 0.000 0.433 246 H N -1.585 117.444 119.070 -0.069 0.000 2.326 246 H HA -0.214 4.341 4.556 -0.000 0.000 0.301 246 H C 1.969 177.336 175.328 0.065 0.000 1.081 246 H CA 1.814 57.835 56.048 -0.045 0.000 1.334 246 H CB -0.164 29.512 29.762 -0.144 0.000 1.385 246 H HN 0.172 nan 8.280 nan 0.000 0.504 247 W N 0.590 121.799 121.300 -0.153 0.000 2.317 247 W HA -0.194 4.466 4.660 -0.000 0.000 0.318 247 W C 2.491 178.919 176.519 -0.151 0.000 1.227 247 W CA 1.382 58.590 57.345 -0.228 0.000 1.269 247 W CB -1.431 27.921 29.460 -0.179 0.000 1.155 247 W HN 0.359 nan 8.180 nan 0.000 0.484 248 L N 0.993 122.319 121.223 0.171 0.000 2.187 248 L HA -0.120 4.219 4.340 -0.000 0.000 0.213 248 L C 2.231 179.164 176.870 0.104 0.000 1.100 248 L CA 2.507 57.420 54.840 0.120 0.000 0.765 248 L CB -1.026 41.117 42.059 0.140 0.000 0.904 248 L HN -0.089 nan 8.230 nan 0.000 0.437 249 A N -1.106 121.765 122.820 0.085 0.000 1.898 249 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 249 A C 2.374 179.984 177.584 0.044 0.000 1.183 249 A CA 1.746 53.832 52.037 0.081 0.000 0.622 249 A CB -1.264 17.801 19.000 0.109 0.000 0.824 249 A HN 0.595 nan 8.150 nan 0.000 0.444 250 T N -1.188 113.354 114.554 -0.019 0.000 2.803 250 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 250 T C 1.796 176.498 174.700 0.005 0.000 1.052 250 T CA 1.576 63.659 62.100 -0.028 0.000 1.136 250 T CB -0.575 68.242 68.868 -0.085 0.000 0.864 250 T HN 0.279 nan 8.240 nan 0.000 0.467 251 L N -0.434 120.797 121.223 0.013 0.000 2.093 251 L HA 0.049 4.389 4.340 -0.000 0.000 0.208 251 L C 2.670 179.574 176.870 0.056 0.000 1.085 251 L CA 0.470 55.323 54.840 0.020 0.000 0.755 251 L CB -0.525 41.540 42.059 0.010 0.000 0.904 251 L HN 0.227 nan 8.230 nan 0.000 0.435 252 L N -0.917 120.354 121.223 0.081 0.000 2.056 252 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 252 L C 2.439 179.359 176.870 0.085 0.000 1.078 252 L CA 1.727 56.630 54.840 0.104 0.000 0.749 252 L CB -0.764 41.365 42.059 0.117 0.000 0.901 252 L HN 0.259 nan 8.230 nan 0.000 0.433 253 M N -0.176 119.462 119.600 0.064 0.000 2.126 253 M HA -0.240 4.240 4.480 -0.000 0.000 0.259 253 M C 1.881 178.214 176.300 0.055 0.000 1.073 253 M CA 1.894 57.225 55.300 0.051 0.000 1.103 253 M CB -0.654 31.969 32.600 0.039 0.000 1.284 253 M HN 0.191 nan 8.290 nan 0.000 0.420 254 D N 0.192 120.619 120.400 0.045 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 0.061 0.000 1.007 254 D CA 2.163 56.188 54.000 0.042 0.000 0.859 254 D CB -0.658 40.157 40.800 0.025 0.000 0.936 254 D HN 0.564 nan 8.370 nan 0.000 0.447 255 A N 0.513 123.379 122.820 0.078 0.000 1.908 255 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 255 A C 2.450 180.149 177.584 0.192 0.000 1.181 255 A CA 1.049 53.149 52.037 0.105 0.000 0.627 255 A CB -0.829 18.247 19.000 0.128 0.000 0.818 255 A HN 0.259 nan 8.150 nan 0.000 0.445 256 L N -0.641 120.693 121.223 0.184 0.000 2.017 256 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 256 L C 2.614 179.625 176.870 0.235 0.000 1.073 256 L CA 1.843 56.816 54.840 0.221 0.000 0.745 256 L CB -0.291 41.831 42.059 0.105 0.000 0.894 256 L HN 0.387 nan 8.230 nan 0.000 0.432 257 K N -0.684 119.789 120.400 0.122 0.000 2.103 257 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 257 K C 2.170 178.857 176.600 0.145 0.000 1.048 257 K CA 1.331 57.674 56.287 0.094 0.000 0.930 257 K CB -0.239 32.287 32.500 0.043 0.000 0.716 257 K HN 0.214 nan 8.250 nan 0.000 0.444 258 R N 0.427 120.989 120.500 0.104 0.000 2.152 258 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 258 R C 2.031 178.350 176.300 0.032 0.000 1.117 258 R CA 1.173 57.295 56.100 0.037 0.000 0.981 258 R CB -0.062 30.218 30.300 -0.033 0.000 0.870 258 R HN 0.342 nan 8.270 nan 0.000 0.451 259 H N -0.991 118.147 119.070 0.114 0.000 2.457 259 H HA -0.073 4.483 4.556 -0.000 0.000 0.294 259 H C 0.948 176.258 175.328 -0.031 0.000 1.064 259 H CA 1.151 57.228 56.048 0.049 0.000 1.330 259 H CB 0.204 30.001 29.762 0.058 0.000 1.395 259 H HN 0.451 nan 8.280 nan 0.000 0.541 260 H N -0.885 118.257 119.070 0.120 0.000 2.529 260 H HA 0.128 4.683 4.556 -0.000 0.000 0.277 260 H C 1.002 176.353 175.328 0.038 0.000 1.004 260 H CA 0.393 56.482 56.048 0.067 0.000 1.167 260 H CB 0.814 30.608 29.762 0.053 0.000 1.445 260 H HN 0.413 nan 8.280 nan 0.000 0.554 261 G N 1.633 110.503 108.800 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 0.060 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 -0.277 122.586 122.820 0.072 0.000 2.354 262 A HA 0.841 5.161 4.320 -0.000 0.000 0.281 262 A C 1.597 179.199 177.584 0.029 0.000 1.174 262 A CA 0.857 52.922 52.037 0.048 0.000 0.828 262 A CB 0.627 19.654 19.000 0.044 0.000 1.099 262 A HN 1.813 nan 8.150 nan 0.000 0.516 263 A N 2.542 125.374 122.820 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 1.063 53.108 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 0.779 nan 8.150 nan 0.000 0.444 264 Q N -0.086 119.721 119.800 0.011 0.000 2.304 264 Q HA 0.448 4.788 4.340 -0.000 0.000 0.260 264 Q C -1.139 174.869 176.000 0.013 0.000 0.965 264 Q CA 0.205 56.014 55.803 0.010 0.000 0.898 264 Q CB 1.370 30.113 28.738 0.008 0.000 1.196 264 Q HN 0.183 nan 8.270 nan 0.000 0.402 265 V N 2.291 122.212 119.914 0.012 0.000 2.686 265 V HA 0.136 4.256 4.120 -0.000 0.000 0.306 265 V C 0.851 176.954 176.094 0.015 0.000 1.065 265 V CA -0.364 61.944 62.300 0.013 0.000 0.894 265 V CB 2.128 33.958 31.823 0.011 0.000 1.004 265 V HN 0.836 nan 8.190 nan 0.000 0.424 266 T N 2.151 116.714 114.554 0.015 0.000 2.812 266 T HA -0.039 4.311 4.350 -0.000 0.000 0.264 266 T C 0.929 175.639 174.700 0.017 0.000 1.042 266 T CA 1.148 63.259 62.100 0.018 0.000 1.140 266 T CB -0.105 68.772 68.868 0.015 0.000 0.870 266 T HN 0.624 nan 8.240 nan 0.000 0.445 267 N N 2.771 121.472 118.700 0.003 0.000 3.298 267 N HA 0.164 4.904 4.740 -0.000 0.000 0.292 267 N C 1.286 176.798 175.510 0.003 0.000 1.271 267 N CA -0.028 53.018 53.050 -0.008 0.000 1.184 267 N CB 1.139 39.604 38.487 -0.038 0.000 1.452 267 N HN 0.265 nan 8.380 nan 0.000 0.534 268 V N -2.382 117.544 119.914 0.021 0.000 2.809 268 V HA -0.139 3.981 4.120 -0.000 0.000 0.256 268 V C 1.777 177.887 176.094 0.027 0.000 1.080 268 V CA 1.170 63.483 62.300 0.021 0.000 1.102 268 V CB -0.323 31.516 31.823 0.027 0.000 0.705 268 V HN 0.210 nan 8.190 nan 0.000 0.475 269 D N 1.835 122.261 120.400 0.044 0.000 2.158 269 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 269 D C 1.149 177.463 176.300 0.023 0.000 0.995 269 D CA 2.102 56.140 54.000 0.064 0.000 0.846 269 D CB 0.006 40.860 40.800 0.090 0.000 0.941 269 D HN 0.689 nan 8.370 nan 0.000 0.456 270 V N -3.278 116.633 119.914 -0.005 0.000 2.637 270 V HA 0.375 4.495 4.120 -0.000 0.000 0.296 270 V C -2.027 174.054 176.094 -0.022 0.000 1.118 270 V CA -0.935 61.352 62.300 -0.020 0.000 1.230 270 V CB 0.996 32.791 31.823 -0.047 0.000 1.360 270 V HN -0.132 nan 8.190 nan 0.000 0.620 271 P HA -0.151 nan 4.420 nan 0.000 0.218 271 P C 1.734 179.025 177.300 -0.016 0.000 1.146 271 P CA 2.246 65.340 63.100 -0.011 0.000 0.820 271 P CB 0.054 31.750 31.700 -0.006 0.000 0.778 272 G N 0.044 108.833 108.800 -0.018 0.000 2.432 272 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 272 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 272 G C 1.479 176.358 174.900 -0.033 0.000 1.135 272 G CA 0.415 45.502 45.100 -0.022 0.000 0.767 272 G HN 0.227 nan 8.290 nan 0.000 0.550 273 L N 1.295 122.493 121.223 -0.041 0.000 1.993 273 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 273 L C 3.035 179.880 176.870 -0.042 0.000 1.074 273 L CA 2.125 56.931 54.840 -0.057 0.000 0.746 273 L CB -1.031 40.987 42.059 -0.067 0.000 0.896 273 L HN 0.197 nan 8.230 nan 0.000 0.435 274 V N -0.414 119.485 119.914 -0.026 0.000 2.546 274 V HA -0.252 3.868 4.120 -0.000 0.000 0.254 274 V C 2.344 178.432 176.094 -0.009 0.000 1.076 274 V CA 1.927 64.223 62.300 -0.007 0.000 1.087 274 V CB -1.365 30.457 31.823 -0.001 0.000 0.674 274 V HN 0.533 nan 8.190 nan 0.000 0.470 275 A N 0.244 123.054 122.820 -0.018 0.000 1.825 275 A HA -0.209 4.111 4.320 -0.000 0.000 0.214 275 A C 2.282 179.864 177.584 -0.003 0.000 1.206 275 A CA 1.823 53.849 52.037 -0.018 0.000 0.609 275 A CB -0.995 17.996 19.000 -0.015 0.000 0.851 275 A HN 0.707 nan 8.150 nan 0.000 0.445 276 E N -0.329 119.863 120.200 -0.014 0.000 2.086 276 E HA -0.245 4.105 4.350 -0.000 0.000 0.200 276 E C 1.965 178.544 176.600 -0.035 0.000 1.012 276 E CA 1.438 57.821 56.400 -0.029 0.000 0.812 276 E CB -0.275 29.343 29.700 -0.136 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 -0.039 0.000 1.971 277 L HA -0.277 4.063 4.340 -0.000 0.000 0.215 277 L C 2.558 179.505 176.870 0.129 0.000 1.072 277 L CA 1.769 56.631 54.840 0.037 0.000 0.758 277 L CB -0.453 41.639 42.059 0.054 0.000 0.889 277 L HN 0.303 nan 8.230 nan 0.000 0.433 278 A N -0.456 122.420 122.820 0.093 0.000 2.024 278 A HA -0.222 4.097 4.320 -0.000 0.000 0.220 278 A C 1.897 179.555 177.584 0.123 0.000 1.164 278 A CA 1.931 54.023 52.037 0.092 0.000 0.643 278 A CB -0.620 18.294 19.000 -0.143 0.000 0.806 278 A HN 0.585 nan 8.150 nan 0.000 0.451 279 N N -0.236 118.545 118.700 0.134 0.000 2.135 279 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 279 N C 1.438 177.096 175.510 0.246 0.000 1.027 279 N CA 1.581 54.739 53.050 0.180 0.000 0.849 279 N CB -0.693 37.918 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 0.084 0.000 2.529 280 H HA 0.184 4.740 4.556 -0.000 0.000 0.277 280 H C 0.085 175.477 175.328 0.107 0.000 0.999 280 H CA 0.246 56.348 56.048 0.091 0.000 1.256 280 H CB 0.637 30.458 29.762 0.099 0.000 1.402 280 H HN 0.028 nan 8.280 nan 0.000 0.566 281 L N 2.044 123.425 121.223 0.264 0.000 2.372 281 L HA 0.197 4.537 4.340 -0.000 0.000 0.274 281 L C 0.402 177.363 176.870 0.153 0.000 0.988 281 L CA -0.768 54.181 54.840 0.182 0.000 0.833 281 L CB 1.921 44.086 42.059 0.177 0.000 1.236 281 L HN 0.090 nan 8.230 nan 0.000 0.410 282 S N 2.903 118.621 115.700 0.030 0.000 2.560 282 S HA 0.111 4.581 4.470 -0.000 0.000 0.276 282 S C -1.351 173.092 174.600 -0.263 0.000 1.350 282 S CA -0.741 57.388 58.200 -0.119 0.000 1.024 282 S CB 0.383 63.526 63.200 -0.095 0.000 0.864 282 S HN 0.585 nan 8.310 nan 0.000 0.536 283 P HA -0.103 nan 4.420 nan 0.000 0.222 283 P C 1.435 178.644 177.300 -0.152 0.000 1.147 283 P CA 1.413 64.284 63.100 -0.382 0.000 0.790 283 P CB -0.231 31.235 31.700 -0.390 0.000 0.780 284 S N 0.032 115.646 115.700 -0.144 0.000 2.362 284 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 284 S C 2.286 176.814 174.600 -0.121 0.000 1.032 284 S CA 0.271 58.402 58.200 -0.116 0.000 0.973 284 S CB -1.030 62.100 63.200 -0.116 0.000 0.849 284 S HN -0.038 nan 8.310 nan 0.000 0.465 285 R N 0.990 121.424 120.500 -0.110 0.000 2.096 285 R HA 0.014 4.354 4.340 -0.000 0.000 0.240 285 R C 2.360 178.618 176.300 -0.071 0.000 1.139 285 R CA 1.772 57.814 56.100 -0.097 0.000 0.952 285 R CB -0.712 29.555 30.300 -0.055 0.000 0.854 285 R HN 0.463 nan 8.270 nan 0.000 0.436 286 L N 0.144 121.345 121.223 -0.037 0.000 2.017 286 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 286 L C 2.687 179.551 176.870 -0.010 0.000 1.073 286 L CA 1.250 56.094 54.840 0.007 0.000 0.745 286 L CB -0.548 41.541 42.059 0.049 0.000 0.894 286 L HN 0.321 nan 8.230 nan 0.000 0.432 287 Q N -0.164 119.612 119.800 -0.040 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 -0.070 0.000 0.991 287 Q CA 2.030 57.804 55.803 -0.048 0.000 0.851 287 Q CB -0.490 28.206 28.738 -0.069 0.000 0.911 287 Q HN 0.562 nan 8.270 nan 0.000 0.418 288 A N 1.208 123.947 122.820 -0.136 0.000 1.869 288 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 288 A C 2.177 179.728 177.584 -0.055 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 -0.731 119.852 120.570 0.021 0.000 2.163 289 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 289 I C 2.521 178.682 176.117 0.074 0.000 1.085 289 I CA 1.322 62.673 61.300 0.084 0.000 1.347 289 I CB -0.476 37.524 38.000 0.001 0.000 1.044 289 I HN 0.358 nan 8.210 nan 0.000 0.408 290 L N 0.792 122.047 121.223 0.055 0.000 2.051 290 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 290 L C 2.496 179.411 176.870 0.075 0.000 1.076 290 L CA 2.004 56.885 54.840 0.068 0.000 0.758 290 L CB -0.768 41.321 42.059 0.050 0.000 0.890 290 L HN 0.363 nan 8.230 nan 0.000 0.433 291 G N -1.097 107.731 108.800 0.047 0.000 2.414 291 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 291 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 291 G C 0.995 175.935 174.900 0.067 0.000 1.188 291 G CA 0.896 46.023 45.100 0.045 0.000 0.783 291 G HN 0.355 nan 8.290 nan 0.000 0.537 292 D N 0.047 120.487 120.400 0.066 0.000 2.123 292 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 292 D C 2.675 179.042 176.300 0.112 0.000 0.992 292 D CA 0.728 54.784 54.000 0.093 0.000 0.833 292 D CB -0.285 40.596 40.800 0.135 0.000 0.954 292 D HN 0.178 nan 8.370 nan 0.000 0.455 293 V N -0.066 119.916 119.914 0.113 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 0.123 0.000 1.051 293 V CA 1.240 63.611 62.300 0.117 0.000 1.036 293 V CB -0.400 31.498 31.823 0.124 0.000 0.654 293 V HN 0.389 nan 8.190 nan 0.000 0.451 294 C N -0.932 118.451 119.300 0.138 0.000 2.436 294 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 294 C C 2.623 177.720 174.990 0.178 0.000 1.241 294 C CA 0.992 60.102 59.018 0.152 0.000 1.721 294 C CB -1.232 26.610 27.740 0.170 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 0.052 0.000 2.357 295 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 295 H C 2.086 177.438 175.328 0.040 0.000 1.082 295 H CA 1.390 57.465 56.048 0.046 0.000 1.342 295 H CB -0.029 29.769 29.762 0.060 0.000 1.389 295 H HN 0.350 nan 8.280 nan 0.000 0.511 296 I N 0.682 121.351 120.570 0.164 0.000 2.361 296 I HA -0.210 3.960 4.170 -0.000 0.000 0.251 296 I C 2.663 178.823 176.117 0.072 0.000 1.133 296 I CA 0.948 62.309 61.300 0.102 0.000 1.413 296 I CB -0.277 37.776 38.000 0.088 0.000 1.073 296 I HN 0.099 nan 8.210 nan 0.000 0.424 297 R N 0.326 120.868 120.500 0.070 0.000 2.092 297 R HA -0.198 4.142 4.340 -0.000 0.000 0.231 297 R C 2.285 178.594 176.300 0.016 0.000 1.119 297 R CA 1.442 57.566 56.100 0.040 0.000 0.970 297 R CB -0.217 30.107 30.300 0.040 0.000 0.864 297 R HN 0.378 nan 8.270 nan 0.000 0.440 298 E N 1.084 121.293 120.200 0.015 0.000 2.072 298 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 298 E C 1.702 178.298 176.600 -0.006 0.000 0.985 298 E CA 1.525 57.917 56.400 -0.014 0.000 0.801 298 E CB -0.030 29.640 29.700 -0.050 0.000 0.750 298 E HN 0.593 nan 8.360 nan 0.000 0.452 299 Q N 0.302 120.111 119.800 0.015 0.000 2.226 299 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 299 Q C 2.533 178.540 176.000 0.011 0.000 0.975 299 Q CA 1.033 56.845 55.803 0.015 0.000 0.866 299 Q CB -0.328 28.428 28.738 0.030 0.000 0.915 299 Q HN 0.324 nan 8.270 nan 0.000 0.440 300 L N 0.043 121.274 121.223 0.013 0.000 2.027 300 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 300 L C 2.617 179.487 176.870 -0.001 0.000 1.074 300 L CA 1.138 55.984 54.840 0.010 0.000 0.745 300 L CB -0.415 41.653 42.059 0.014 0.000 0.898 300 L HN 0.286 nan 8.230 nan 0.000 0.433 301 M N -0.359 119.235 119.600 -0.010 0.000 2.077 301 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 301 M C 2.629 178.920 176.300 -0.016 0.000 1.070 301 M CA 2.109 57.397 55.300 -0.019 0.000 1.125 301 M CB -0.430 32.150 32.600 -0.033 0.000 1.339 301 M HN 0.382 nan 8.290 nan 0.000 0.409 302 S N 0.251 115.941 115.700 -0.017 0.000 2.326 302 S HA -0.010 4.460 4.470 -0.000 0.000 0.211 302 S C 0.968 175.563 174.600 -0.009 0.000 1.031 302 S CA 0.095 58.286 58.200 -0.015 0.000 0.985 302 S CB -1.145 62.042 63.200 -0.021 0.000 0.961 302 S HN 0.213 nan 8.310 nan 0.000 0.436 303 V N 3.518 123.429 119.914 -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 0.891 63.190 62.300 -0.001 0.000 1.194 303 V CB -0.460 31.365 31.823 0.003 0.000 0.879 303 V HN 0.716 nan 8.190 nan 0.000 0.482 304 T N 3.808 118.362 114.554 -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 1.917 64.017 62.100 0.000 0.000 1.159 304 T CB -0.157 68.711 68.868 0.000 0.000 0.859 304 T HN 1.111 nan 8.240 nan 0.000 0.449 305 G N 0.128 108.930 108.800 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 -0.769 44.334 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 0.198 4.368 4.170 -0.000 0.000 0.297 306 I C 0.179 176.303 176.117 0.013 0.000 1.095 306 I CA -0.975 60.332 61.300 0.011 0.000 1.239 306 I CB 0.539 38.547 38.000 0.014 0.000 1.455 306 I HN 0.052 nan 8.210 nan 0.000 0.630 307 N N 2.520 121.229 118.700 0.015 0.000 2.405 307 N HA 0.059 4.799 4.740 -0.000 0.000 0.260 307 N C 0.891 176.416 175.510 0.024 0.000 1.152 307 N CA 0.113 53.174 53.050 0.018 0.000 0.948 307 N CB 0.995 39.493 38.487 0.018 0.000 1.111 307 N HN 0.491 nan 8.380 nan 0.000 0.485 308 R N 2.807 123.321 120.500 0.024 0.000 2.091 308 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 308 R C 1.501 177.826 176.300 0.042 0.000 1.136 308 R CA 1.496 57.615 56.100 0.032 0.000 0.959 308 R CB 0.133 30.451 30.300 0.030 0.000 0.856 308 R HN 0.638 nan 8.270 nan 0.000 0.437 309 E N 0.464 120.687 120.200 0.039 0.000 2.017 309 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 309 E C 2.109 178.744 176.600 0.059 0.000 0.997 309 E CA 1.257 57.687 56.400 0.051 0.000 0.804 309 E CB -0.148 29.577 29.700 0.042 0.000 0.757 309 E HN 0.384 nan 8.360 nan 0.000 0.448 310 L N 0.552 121.802 121.223 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 0.039 0.000 1.071 310 L CA 1.140 56.003 54.840 0.038 0.000 0.751 310 L CB -0.379 41.695 42.059 0.024 0.000 0.889 310 L HN 0.306 nan 8.230 nan 0.000 0.432 311 L N 0.352 121.597 121.223 0.037 0.000 1.978 311 L HA -0.321 4.019 4.340 -0.000 0.000 0.218 311 L C 2.385 179.285 176.870 0.050 0.000 1.075 311 L CA 2.134 56.997 54.840 0.038 0.000 0.767 311 L CB -0.580 41.502 42.059 0.038 0.000 0.890 311 L HN 0.236 nan 8.230 nan 0.000 0.434 312 I N -1.714 118.894 120.570 0.064 0.000 2.226 312 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 312 I C 2.187 178.369 176.117 0.108 0.000 1.100 312 I CA 1.671 63.022 61.300 0.085 0.000 1.374 312 I CB -0.876 37.178 38.000 0.090 0.000 1.057 312 I HN 0.286 nan 8.210 nan 0.000 0.413 313 T N -0.113 114.511 114.554 0.117 0.000 2.759 313 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 313 T C 1.552 176.287 174.700 0.058 0.000 1.042 313 T CA 2.007 64.197 62.100 0.150 0.000 1.140 313 T CB -0.377 68.569 68.868 0.129 0.000 0.864 313 T HN 0.413 nan 8.240 nan 0.000 0.455 314 D N 0.612 121.029 120.400 0.028 0.000 2.123 314 D HA -0.005 4.635 4.640 -0.000 0.000 0.200 314 D C 2.043 178.332 176.300 -0.019 0.000 0.976 314 D CA 0.529 54.522 54.000 -0.013 0.000 0.831 314 D CB -0.364 40.432 40.800 -0.006 0.000 0.974 314 D HN 0.255 nan 8.370 nan 0.000 0.469 315 L N 0.144 121.378 121.223 0.018 0.000 1.989 315 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 315 L C 2.345 179.216 176.870 0.001 0.000 1.071 315 L CA 1.084 55.933 54.840 0.014 0.000 0.749 315 L CB -0.325 41.770 42.059 0.061 0.000 0.890 315 L HN 0.198 nan 8.230 nan 0.000 0.431 316 L N -0.410 120.860 121.223 0.078 0.000 1.943 316 L HA -0.316 4.024 4.340 -0.000 0.000 0.215 316 L C 2.639 179.539 176.870 0.049 0.000 1.074 316 L CA 1.634 56.559 54.840 0.141 0.000 0.759 316 L CB -0.886 41.338 42.059 0.276 0.000 0.888 316 L HN 0.317 nan 8.230 nan 0.000 0.433 317 L N -0.530 120.690 121.223 -0.005 0.000 2.081 317 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 317 L C 2.876 179.659 176.870 -0.145 0.000 1.080 317 L CA 1.370 56.154 54.840 -0.094 0.000 0.754 317 L CB -0.592 41.367 42.059 -0.166 0.000 0.893 317 L HN 0.294 nan 8.230 nan 0.000 0.433 318 R N 0.519 120.902 120.500 -0.195 0.000 2.096 318 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 318 R C 2.314 178.222 176.300 -0.653 0.000 1.127 318 R CA 1.309 57.190 56.100 -0.365 0.000 0.968 318 R CB -0.196 29.903 30.300 -0.335 0.000 0.861 318 R HN 0.345 nan 8.270 nan 0.000 0.440 319 I N 0.804 121.090 120.570 -0.473 0.000 2.226 319 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 319 I C 1.808 177.643 176.117 -0.469 0.000 1.100 319 I CA 1.530 62.518 61.300 -0.520 0.000 1.374 319 I CB -0.227 37.516 38.000 -0.428 0.000 1.057 319 I HN 0.289 nan 8.210 nan 0.000 0.413 320 E N -0.587 119.431 120.200 -0.302 0.000 2.268 320 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 320 E C 1.819 178.370 176.600 -0.082 0.000 0.995 320 E CA 0.808 57.106 56.400 -0.170 0.000 0.836 320 E CB -0.093 29.593 29.700 -0.023 0.000 0.763 320 E HN 0.485 nan 8.360 nan 0.000 0.491 321 H N -0.894 118.042 119.070 -0.222 0.000 2.512 321 H HA -0.051 4.505 4.556 -0.000 0.000 0.279 321 H C 1.080 176.409 175.328 0.001 0.000 0.999 321 H CA 0.973 56.949 56.048 -0.121 0.000 1.283 321 H CB 0.164 29.847 29.762 -0.132 0.000 1.421 321 H HN 0.141 nan 8.280 nan 0.000 0.554 322 Y N 0.089 120.317 120.300 -0.121 0.000 2.314 322 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 322 Y C 2.228 178.017 175.900 -0.184 0.000 1.129 322 Y CA 0.604 58.606 58.100 -0.164 0.000 1.201 322 Y CB -0.647 37.720 38.460 -0.155 0.000 0.999 322 Y HN 0.204 nan 8.280 nan 0.000 0.541 323 L N -0.361 120.845 121.223 -0.028 0.000 2.275 323 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 323 L C 0.969 177.805 176.870 -0.058 0.000 1.119 323 L CA 0.724 55.529 54.840 -0.059 0.000 0.790 323 L CB -0.473 41.532 42.059 -0.090 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 -2.087 173.840 176.000 -0.121 0.000 0.954 324 Q CA -1.924 53.810 55.803 -0.116 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 0.410 177.666 177.300 -0.072 0.000 1.193 325 P CA 0.847 63.910 63.100 -0.063 0.000 0.763 325 P CB 0.508 32.184 31.700 -0.040 0.000 0.810 326 G N 1.304 110.063 108.800 -0.068 0.000 2.232 326 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.226 326 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.226 326 G C 0.113 174.972 174.900 -0.069 0.000 0.996 326 G CA -0.188 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 1.073 177.123 176.094 -0.073 0.000 1.046 327 V CA 0.229 62.463 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 7.746 127.635 119.914 -0.042 0.000 2.284 328 V HA 0.330 4.450 4.120 -0.000 0.000 0.260 328 V C 0.251 176.288 176.094 -0.096 0.000 1.084 328 V CA -0.394 61.868 62.300 -0.062 0.000 0.894 328 V CB -0.012 31.787 31.823 -0.040 0.000 1.119 328 V HN 0.681 nan 8.190 nan 0.000 0.484 329 L N 7.047 128.154 121.223 -0.194 0.000 2.482 329 L HA 0.434 4.774 4.340 -0.000 0.000 0.273 329 L C -1.534 175.166 176.870 -0.285 0.000 1.228 329 L CA -1.425 53.182 54.840 -0.388 0.000 0.827 329 L CB -0.616 41.111 42.059 -0.553 0.000 1.099 329 L HN 0.372 nan 8.230 nan 0.000 0.494 330 P HA 0.241 nan 4.420 nan 0.000 0.272 330 P C -0.896 176.268 177.300 -0.227 0.000 1.240 330 P CA -0.312 62.659 63.100 -0.215 0.000 0.791 330 P CB 1.535 33.133 31.700 -0.170 0.000 0.978 331 V N 1.641 121.411 119.914 -0.239 0.000 2.709 331 V HA 0.309 4.429 4.120 -0.000 0.000 0.308 331 V C -2.106 173.764 176.094 -0.374 0.000 1.062 331 V CA -1.656 60.501 62.300 -0.239 0.000 0.901 331 V CB 1.241 32.957 31.823 -0.179 0.000 1.003 331 V HN 0.574 nan 8.190 nan 0.000 0.425 332 P HA 0.179 nan 4.420 nan 0.000 0.269 332 P C -0.528 176.571 177.300 -0.336 0.000 1.211 332 P CA 0.065 62.993 63.100 -0.286 0.000 0.781 332 P CB 0.264 31.907 31.700 -0.095 0.000 0.877 333 H N 0.615 119.691 119.070 0.011 0.000 2.570 333 H HA 0.458 5.014 4.556 -0.000 0.000 0.342 333 H C 0.809 176.151 175.328 0.024 0.000 1.245 333 H CA -0.805 55.253 56.048 0.017 0.000 1.318 333 H CB 0.494 30.273 29.762 0.028 0.000 1.694 333 H HN 0.315 nan 8.280 nan 0.000 0.592 334 L N 0.000 121.320 121.223 0.162 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 0.079 0.000 0.961 334 L HN 0.000 nan 8.230 nan 0.000 0.502