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 1pow_1_B DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMNM DTFQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWYASANS YQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRVAQK PANEALAQAD VVLFVGNNYP FAEVSKAFKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG FIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.739 174.700 0.065 0.000 1.109 9 T CA 0.000 62.130 62.100 0.050 0.000 1.349 9 T CB 0.000 68.890 68.868 0.036 0.000 0.612 10 N N 0.549 119.284 118.700 0.057 0.000 2.408 10 N HA 0.650 5.390 4.740 -0.001 0.000 0.260 10 N C -0.823 174.727 175.510 0.067 0.000 1.242 10 N CA -0.202 52.885 53.050 0.063 0.000 0.959 10 N CB 1.117 39.630 38.487 0.044 0.000 1.201 10 N HN 0.508 nan 8.380 nan 0.000 0.511 11 I N 0.724 121.329 120.570 0.060 0.000 2.913 11 I HA 0.288 4.457 4.170 -0.001 0.000 0.302 11 I C -1.357 174.754 176.117 -0.011 0.000 1.246 11 I CA -0.722 60.595 61.300 0.029 0.000 1.010 11 I CB 1.783 39.810 38.000 0.045 0.000 1.259 11 I HN 0.347 nan 8.210 nan 0.000 0.434 12 L N 5.963 127.169 121.223 -0.028 0.000 2.349 12 L HA 0.341 4.680 4.340 -0.001 0.000 0.275 12 L C 1.496 178.305 176.870 -0.101 0.000 1.115 12 L CA -0.004 54.820 54.840 -0.027 0.000 0.820 12 L CB 1.490 43.558 42.059 0.014 0.000 1.135 12 L HN 0.858 nan 8.230 nan 0.000 0.445 13 A N 3.317 126.079 122.820 -0.097 0.000 1.948 13 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 13 A C 2.104 179.562 177.584 -0.209 0.000 1.177 13 A CA 2.076 54.020 52.037 -0.154 0.000 0.636 13 A CB -0.989 17.950 19.000 -0.103 0.000 0.815 13 A HN 0.992 nan 8.150 nan 0.000 0.449 14 G N -1.068 107.616 108.800 -0.193 0.000 2.443 14 G HA2 0.084 4.044 3.960 -0.001 0.000 0.219 14 G HA3 0.084 4.044 3.960 -0.001 0.000 0.219 14 G C 1.622 176.386 174.900 -0.227 0.000 1.131 14 G CA 1.269 46.229 45.100 -0.232 0.000 0.775 14 G HN 0.794 nan 8.290 nan 0.000 0.547 15 A N 1.131 123.827 122.820 -0.205 0.000 1.897 15 A HA 0.413 4.733 4.320 -0.001 0.000 0.215 15 A C 2.795 180.183 177.584 -0.327 0.000 1.181 15 A CA 1.862 53.777 52.037 -0.202 0.000 0.620 15 A CB -0.715 18.202 19.000 -0.139 0.000 0.821 15 A HN 0.652 nan 8.150 nan 0.000 0.443 16 A N -0.381 122.140 122.820 -0.498 0.000 1.908 16 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 16 A C 2.225 179.390 177.584 -0.699 0.000 1.181 16 A CA 1.847 53.292 52.037 -0.986 0.000 0.627 16 A CB -0.995 17.282 19.000 -1.205 0.000 0.818 16 A HN 0.371 nan 8.150 nan 0.000 0.445 17 V N 0.585 120.257 119.914 -0.404 0.000 2.287 17 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 17 V C 2.419 178.400 176.094 -0.189 0.000 1.053 17 V CA 1.898 64.048 62.300 -0.249 0.000 1.027 17 V CB -0.637 31.060 31.823 -0.211 0.000 0.646 17 V HN 0.532 nan 8.190 nan 0.000 0.447 18 I N -0.149 120.306 120.570 -0.191 0.000 2.361 18 I HA -0.189 3.981 4.170 -0.001 0.000 0.251 18 I C 2.356 178.422 176.117 -0.085 0.000 1.133 18 I CA 1.510 62.733 61.300 -0.129 0.000 1.413 18 I CB -1.246 36.675 38.000 -0.131 0.000 1.073 18 I HN 0.388 nan 8.210 nan 0.000 0.424 19 K N 0.322 120.647 120.400 -0.124 0.000 2.097 19 K HA -0.076 4.243 4.320 -0.001 0.000 0.205 19 K C 2.165 178.828 176.600 0.104 0.000 1.050 19 K CA 0.892 57.173 56.287 -0.011 0.000 0.938 19 K CB -0.107 32.389 32.500 -0.007 0.000 0.718 19 K HN 0.144 nan 8.250 nan 0.000 0.442 20 V N 2.120 122.085 119.914 0.085 0.000 2.392 20 V HA -0.243 3.876 4.120 -0.001 0.000 0.249 20 V C 2.199 178.454 176.094 0.269 0.000 1.059 20 V CA 1.579 64.026 62.300 0.246 0.000 1.051 20 V CB -0.438 31.493 31.823 0.181 0.000 0.658 20 V HN 0.283 nan 8.190 nan 0.000 0.455 21 L N -0.476 120.822 121.223 0.124 0.000 2.056 21 L HA -0.172 4.168 4.340 -0.001 0.000 0.207 21 L C 2.556 179.504 176.870 0.130 0.000 1.078 21 L CA 1.656 56.562 54.840 0.111 0.000 0.749 21 L CB -0.694 41.371 42.059 0.011 0.000 0.901 21 L HN 0.369 nan 8.230 nan 0.000 0.433 22 E N 0.358 120.608 120.200 0.084 0.000 2.110 22 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 22 E C 2.289 178.936 176.600 0.079 0.000 0.988 22 E CA 1.103 57.542 56.400 0.064 0.000 0.804 22 E CB -0.141 29.584 29.700 0.041 0.000 0.745 22 E HN 0.495 nan 8.360 nan 0.000 0.458 23 A N 0.384 123.265 122.820 0.102 0.000 1.969 23 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 23 A C 1.289 178.838 177.584 -0.059 0.000 1.169 23 A CA 0.781 52.825 52.037 0.011 0.000 0.635 23 A CB -0.720 18.277 19.000 -0.006 0.000 0.810 23 A HN 0.348 nan 8.150 nan 0.000 0.445 24 W N -0.605 120.702 121.300 0.012 0.000 3.405 24 W HA 0.391 5.050 4.660 -0.000 0.000 0.300 24 W C 1.478 177.990 176.519 -0.011 0.000 1.286 24 W CA 0.709 58.051 57.345 -0.005 0.000 1.762 24 W CB -0.013 29.449 29.460 0.002 0.000 1.087 24 W HN 0.546 nan 8.180 nan 0.000 0.703 25 G N 0.194 109.082 108.800 0.148 0.000 2.147 25 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.244 25 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.244 25 G C -0.031 174.907 174.900 0.064 0.000 1.005 25 G CA -0.042 45.109 45.100 0.087 0.000 0.713 25 G HN 0.027 nan 8.290 nan 0.000 0.515 26 V N 1.005 120.955 119.914 0.060 0.000 2.421 26 V HA 0.215 4.335 4.120 -0.001 0.000 0.271 26 V C 1.521 177.595 176.094 -0.035 0.000 1.031 26 V CA 1.047 63.336 62.300 -0.019 0.000 1.032 26 V CB 1.236 33.045 31.823 -0.024 0.000 1.009 26 V HN 0.476 nan 8.190 nan 0.000 0.477 27 D N 3.270 123.630 120.400 -0.066 0.000 2.162 27 D HA -0.031 4.608 4.640 -0.001 0.000 0.205 27 D C 0.738 177.091 176.300 0.088 0.000 0.964 27 D CA 1.060 55.086 54.000 0.043 0.000 0.847 27 D CB 0.338 41.218 40.800 0.133 0.000 0.988 27 D HN 0.792 nan 8.370 nan 0.000 0.480 28 H N -1.364 117.678 119.070 -0.046 0.000 2.961 28 H HA 0.517 5.073 4.556 -0.001 0.000 0.371 28 H C -0.734 174.421 175.328 -0.288 0.000 1.190 28 H CA -1.184 54.775 56.048 -0.148 0.000 1.138 28 H CB 0.820 30.449 29.762 -0.222 0.000 1.816 28 H HN 0.096 nan 8.280 nan 0.000 0.551 29 L N -0.493 120.567 121.223 -0.272 0.000 2.465 29 L HA 0.691 5.031 4.340 -0.001 0.000 0.257 29 L C -2.016 174.663 176.870 -0.318 0.000 0.988 29 L CA -1.167 53.516 54.840 -0.261 0.000 0.827 29 L CB 2.519 44.605 42.059 0.045 0.000 1.397 29 L HN 0.478 nan 8.230 nan 0.000 0.410 30 Y N 0.454 120.752 120.300 -0.003 0.000 2.509 30 Y HA 0.986 5.536 4.550 -0.000 0.000 0.341 30 Y C 0.689 176.318 175.900 -0.451 0.000 1.038 30 Y CA -0.172 57.828 58.100 -0.168 0.000 1.089 30 Y CB 2.367 40.734 38.460 -0.155 0.000 1.241 30 Y HN 1.034 nan 8.280 nan 0.000 0.468 31 G N 0.889 109.465 108.800 -0.373 0.000 2.321 31 G HA2 0.548 4.507 3.960 -0.001 0.000 0.296 31 G HA3 0.548 4.507 3.960 -0.001 0.000 0.296 31 G C -2.249 172.513 174.900 -0.231 0.000 1.287 31 G CA -0.877 43.673 45.100 -0.917 0.000 0.846 31 G HN 0.514 nan 8.290 nan 0.000 0.508 32 I N 1.918 122.428 120.570 -0.101 0.000 2.607 32 I HA 0.394 4.563 4.170 -0.001 0.000 0.290 32 I C -2.192 174.102 176.117 0.295 0.000 1.129 32 I CA -1.929 59.471 61.300 0.167 0.000 1.042 32 I CB 3.142 41.196 38.000 0.090 0.000 1.242 32 I HN 0.340 nan 8.210 nan 0.000 0.421 33 P HA 0.469 nan 4.420 nan 0.000 0.276 33 P C -0.493 176.887 177.300 0.133 0.000 1.261 33 P CA -0.096 63.131 63.100 0.211 0.000 0.800 33 P CB 1.519 33.295 31.700 0.127 0.000 1.066 34 G N -1.557 107.292 108.800 0.081 0.000 2.601 34 G HA2 0.425 4.385 3.960 -0.001 0.000 0.291 34 G HA3 0.425 4.385 3.960 -0.001 0.000 0.291 34 G C 0.666 175.579 174.900 0.022 0.000 1.456 34 G CA -0.105 45.029 45.100 0.058 0.000 0.804 34 G HN 0.476 nan 8.290 nan 0.000 0.499 35 G N 0.139 108.957 108.800 0.031 0.000 2.469 35 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.220 35 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.220 35 G C 1.941 176.809 174.900 -0.052 0.000 1.136 35 G CA 2.222 47.327 45.100 0.009 0.000 0.759 35 G HN 1.524 nan 8.290 nan 0.000 0.562 36 S N -0.617 115.052 115.700 -0.052 0.000 2.603 36 S HA 0.187 4.656 4.470 -0.001 0.000 0.229 36 S C 1.447 175.966 174.600 -0.135 0.000 0.972 36 S CA 0.724 58.870 58.200 -0.090 0.000 0.935 36 S CB 0.172 63.354 63.200 -0.031 0.000 0.769 36 S HN 0.298 nan 8.310 nan 0.000 0.536 37 I N 0.157 120.637 120.570 -0.151 0.000 4.160 37 I HA 0.357 4.526 4.170 -0.001 0.000 0.325 37 I C 0.696 176.627 176.117 -0.310 0.000 1.455 37 I CA -0.059 61.097 61.300 -0.239 0.000 1.142 37 I CB 0.378 38.277 38.000 -0.168 0.000 1.262 37 I HN -0.072 nan 8.210 nan 0.000 0.483 38 N N 0.571 119.116 118.700 -0.259 0.000 2.381 38 N HA -0.109 4.631 4.740 -0.001 0.000 0.182 38 N C 1.941 177.190 175.510 -0.436 0.000 1.025 38 N CA 1.542 54.455 53.050 -0.229 0.000 0.888 38 N CB 0.033 38.497 38.487 -0.038 0.000 0.965 38 N HN 0.544 nan 8.380 nan 0.000 0.438 39 S N -0.189 114.987 115.700 -0.873 0.000 2.428 39 S HA 0.035 4.504 4.470 -0.001 0.000 0.230 39 S C 1.878 176.040 174.600 -0.731 0.000 1.014 39 S CA 0.317 57.703 58.200 -1.357 0.000 0.957 39 S CB -0.026 62.040 63.200 -1.890 0.000 0.784 39 S HN 0.096 nan 8.310 nan 0.000 0.499 40 I N 1.640 121.870 120.570 -0.568 0.000 2.333 40 I HA 0.006 4.176 4.170 -0.001 0.000 0.246 40 I C 2.361 178.210 176.117 -0.447 0.000 1.106 40 I CA 1.045 62.057 61.300 -0.479 0.000 1.411 40 I CB -0.972 36.714 38.000 -0.523 0.000 1.082 40 I HN 0.295 nan 8.210 nan 0.000 0.420 41 M N 0.109 119.441 119.600 -0.446 0.000 2.108 41 M HA -0.237 4.243 4.480 -0.001 0.000 0.261 41 M C 1.937 178.102 176.300 -0.226 0.000 1.066 41 M CA 1.599 56.681 55.300 -0.363 0.000 1.107 41 M CB -1.459 30.979 32.600 -0.270 0.000 1.356 41 M HN 0.161 nan 8.290 nan 0.000 0.406 42 D N 0.230 120.532 120.400 -0.163 0.000 2.104 42 D HA -0.071 4.568 4.640 -0.001 0.000 0.194 42 D C 1.945 178.204 176.300 -0.068 0.000 0.994 42 D CA 1.798 55.776 54.000 -0.037 0.000 0.830 42 D CB 0.043 40.921 40.800 0.129 0.000 0.959 42 D HN 0.298 nan 8.370 nan 0.000 0.452 43 A N 0.251 122.988 122.820 -0.138 0.000 1.902 43 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 43 A C 2.525 180.033 177.584 -0.126 0.000 1.181 43 A CA 1.064 53.022 52.037 -0.132 0.000 0.623 43 A CB -0.828 18.059 19.000 -0.189 0.000 0.818 43 A HN 0.345 nan 8.150 nan 0.000 0.443 44 L N -0.757 120.366 121.223 -0.166 0.000 2.046 44 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 44 L C 2.920 179.743 176.870 -0.078 0.000 1.077 44 L CA 1.491 56.248 54.840 -0.137 0.000 0.747 44 L CB -0.493 41.442 42.059 -0.208 0.000 0.896 44 L HN 0.508 nan 8.230 nan 0.000 0.432 45 S N -0.277 115.381 115.700 -0.070 0.000 2.365 45 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 45 S C 2.095 176.690 174.600 -0.008 0.000 1.039 45 S CA 1.467 59.655 58.200 -0.021 0.000 1.033 45 S CB -0.111 63.081 63.200 -0.013 0.000 0.887 45 S HN 0.474 nan 8.310 nan 0.000 0.447 46 A N 0.808 123.618 122.820 -0.018 0.000 1.969 46 A HA 0.021 4.340 4.320 -0.001 0.000 0.218 46 A C 1.756 179.331 177.584 -0.015 0.000 1.169 46 A CA 1.180 53.211 52.037 -0.010 0.000 0.635 46 A CB -0.273 18.720 19.000 -0.013 0.000 0.810 46 A HN 0.534 nan 8.150 nan 0.000 0.445 47 E N -0.270 119.912 120.200 -0.031 0.000 2.394 47 E HA 0.005 4.355 4.350 -0.001 0.000 0.191 47 E C 1.335 177.907 176.600 -0.046 0.000 1.044 47 E CA 0.023 56.400 56.400 -0.038 0.000 0.939 47 E CB -0.024 29.644 29.700 -0.054 0.000 1.089 47 E HN 0.839 nan 8.360 nan 0.000 0.456 48 R N 0.913 121.401 120.500 -0.021 0.000 2.328 48 R HA -0.068 4.272 4.340 -0.001 0.000 0.207 48 R C 0.948 177.230 176.300 -0.030 0.000 1.056 48 R CA 1.276 57.371 56.100 -0.008 0.000 1.016 48 R CB -0.229 30.101 30.300 0.050 0.000 0.872 48 R HN -0.014 nan 8.270 nan 0.000 0.471 49 D N 0.178 120.561 120.400 -0.029 0.000 2.339 49 D HA -0.044 4.596 4.640 -0.001 0.000 0.217 49 D C 1.268 177.528 176.300 -0.068 0.000 1.050 49 D CA 0.059 54.053 54.000 -0.010 0.000 0.856 49 D CB 0.173 40.984 40.800 0.019 0.000 0.922 49 D HN 0.303 nan 8.370 nan 0.000 0.518 50 R N -0.458 119.953 120.500 -0.148 0.000 2.383 50 R HA 0.416 4.755 4.340 -0.001 0.000 0.205 50 R C 0.271 176.407 176.300 -0.273 0.000 0.875 50 R CA -0.099 55.914 56.100 -0.146 0.000 1.039 50 R CB 1.475 31.737 30.300 -0.064 0.000 1.267 50 R HN 0.074 nan 8.270 nan 0.000 0.635 51 I N 1.320 121.694 120.570 -0.325 0.000 2.498 51 I HA 0.276 4.445 4.170 -0.001 0.000 0.290 51 I C -1.296 174.603 176.117 -0.364 0.000 1.032 51 I CA -0.962 60.163 61.300 -0.291 0.000 1.073 51 I CB 1.445 39.380 38.000 -0.108 0.000 1.251 51 I HN 0.152 nan 8.210 nan 0.000 0.426 52 H N 6.660 125.763 119.070 0.054 0.000 2.640 52 H HA 0.205 4.760 4.556 -0.000 0.000 0.297 52 H C -1.135 174.216 175.328 0.038 0.000 1.073 52 H CA -0.263 55.815 56.048 0.050 0.000 1.305 52 H CB 0.533 30.302 29.762 0.012 0.000 1.404 52 H HN 0.448 nan 8.280 nan 0.000 0.459 53 Y N 4.783 125.109 120.300 0.044 0.000 2.359 53 Y HA 0.246 4.795 4.550 -0.001 0.000 0.334 53 Y C -0.965 174.914 175.900 -0.036 0.000 1.058 53 Y CA -1.139 56.976 58.100 0.024 0.000 1.244 53 Y CB 0.425 38.942 38.460 0.094 0.000 1.187 53 Y HN 0.497 nan 8.280 nan 0.000 0.510 54 I N 7.452 127.568 120.570 -0.757 0.000 2.354 54 I HA 0.192 4.361 4.170 -0.001 0.000 0.286 54 I C -0.370 175.262 176.117 -0.809 0.000 1.007 54 I CA -0.712 60.065 61.300 -0.871 0.000 1.167 54 I CB 1.276 38.868 38.000 -0.680 0.000 1.320 54 I HN 0.631 nan 8.210 nan 0.000 0.458 55 Q N 7.163 126.595 119.800 -0.614 0.000 2.296 55 Q HA 0.428 4.767 4.340 -0.001 0.000 0.257 55 Q C -0.912 175.094 176.000 0.011 0.000 0.942 55 Q CA -0.328 55.316 55.803 -0.267 0.000 0.939 55 Q CB 1.823 30.554 28.738 -0.011 0.000 1.198 55 Q HN 0.575 nan 8.270 nan 0.000 0.429 56 V N 2.724 122.643 119.914 0.008 0.000 3.109 56 V HA 0.512 4.632 4.120 -0.001 0.000 0.317 56 V C 0.867 177.003 176.094 0.070 0.000 1.074 56 V CA -0.770 61.558 62.300 0.048 0.000 1.033 56 V CB 1.473 33.303 31.823 0.011 0.000 1.111 56 V HN 0.742 nan 8.190 nan 0.000 0.458 57 R N -0.245 120.302 120.500 0.079 0.000 2.280 57 R HA 0.246 4.586 4.340 -0.001 0.000 0.195 57 R C 0.226 176.599 176.300 0.121 0.000 0.935 57 R CA 0.448 56.601 56.100 0.089 0.000 1.033 57 R CB -0.352 29.997 30.300 0.081 0.000 0.964 57 R HN 0.934 nan 8.270 nan 0.000 0.489 58 H N -0.083 118.988 119.070 0.002 0.000 2.954 58 H HA 0.180 4.735 4.556 -0.001 0.000 0.361 58 H C -0.174 175.136 175.328 -0.031 0.000 1.122 58 H CA -0.268 55.769 56.048 -0.018 0.000 1.217 58 H CB 1.801 31.513 29.762 -0.083 0.000 1.776 58 H HN -0.227 nan 8.280 nan 0.000 0.533 59 E N 2.142 122.412 120.200 0.117 0.000 2.150 59 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 59 E C 1.724 178.414 176.600 0.149 0.000 0.985 59 E CA 1.412 57.882 56.400 0.117 0.000 0.814 59 E CB 0.180 29.951 29.700 0.118 0.000 0.752 59 E HN 0.784 nan 8.360 nan 0.000 0.466 60 E N 0.458 120.820 120.200 0.270 0.000 2.204 60 E HA -0.158 4.192 4.350 -0.001 0.000 0.195 60 E C 1.743 178.332 176.600 -0.018 0.000 0.990 60 E CA 1.187 57.637 56.400 0.083 0.000 0.821 60 E CB -0.170 29.525 29.700 -0.008 0.000 0.750 60 E HN 0.094 nan 8.360 nan 0.000 0.477 61 V N 1.472 121.366 119.914 -0.033 0.000 2.453 61 V HA -0.126 3.994 4.120 -0.001 0.000 0.247 61 V C 2.464 178.436 176.094 -0.204 0.000 1.048 61 V CA 1.792 64.030 62.300 -0.104 0.000 1.049 61 V CB -0.695 31.085 31.823 -0.073 0.000 0.672 61 V HN 0.547 nan 8.190 nan 0.000 0.457 62 G N -0.176 108.521 108.800 -0.170 0.000 2.421 62 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.216 62 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.216 62 G C 1.776 176.521 174.900 -0.260 0.000 1.171 62 G CA 1.007 45.943 45.100 -0.273 0.000 0.775 62 G HN 0.583 nan 8.290 nan 0.000 0.543 63 A N 0.444 123.196 122.820 -0.113 0.000 1.902 63 A HA 0.065 4.385 4.320 -0.001 0.000 0.217 63 A C 2.467 179.991 177.584 -0.100 0.000 1.181 63 A CA 1.797 53.791 52.037 -0.072 0.000 0.623 63 A CB -0.337 18.655 19.000 -0.013 0.000 0.818 63 A HN 0.385 nan 8.150 nan 0.000 0.443 64 M N -0.614 118.922 119.600 -0.108 0.000 2.132 64 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 64 M C 2.507 178.720 176.300 -0.144 0.000 1.065 64 M CA 1.367 56.613 55.300 -0.090 0.000 1.122 64 M CB -0.330 32.231 32.600 -0.066 0.000 1.365 64 M HN 0.467 nan 8.290 nan 0.000 0.411 65 A N 0.350 122.993 122.820 -0.294 0.000 1.902 65 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 65 A C 2.363 179.808 177.584 -0.231 0.000 1.181 65 A CA 1.822 53.627 52.037 -0.386 0.000 0.623 65 A CB -0.966 17.485 19.000 -0.915 0.000 0.818 65 A HN 0.486 nan 8.150 nan 0.000 0.443 66 A N -0.030 122.667 122.820 -0.205 0.000 1.908 66 A HA 0.099 4.419 4.320 -0.001 0.000 0.218 66 A C 2.501 180.088 177.584 0.005 0.000 1.181 66 A CA 2.240 54.312 52.037 0.059 0.000 0.627 66 A CB -1.014 18.022 19.000 0.060 0.000 0.818 66 A HN 1.073 nan 8.150 nan 0.000 0.445 67 A N -0.257 122.540 122.820 -0.039 0.000 1.902 67 A HA 0.175 4.495 4.320 -0.001 0.000 0.217 67 A C 2.492 180.069 177.584 -0.012 0.000 1.181 67 A CA 2.042 54.058 52.037 -0.035 0.000 0.623 67 A CB -0.978 17.997 19.000 -0.042 0.000 0.818 67 A HN 1.092 nan 8.150 nan 0.000 0.443 68 A N -0.191 122.626 122.820 -0.004 0.000 1.969 68 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 68 A C 1.761 179.381 177.584 0.061 0.000 1.169 68 A CA 1.740 53.792 52.037 0.026 0.000 0.635 68 A CB -0.511 18.502 19.000 0.023 0.000 0.810 68 A HN 0.473 nan 8.150 nan 0.000 0.445 69 D N 0.342 120.789 120.400 0.079 0.000 2.087 69 D HA -0.131 4.509 4.640 -0.001 0.000 0.192 69 D C 2.275 178.609 176.300 0.057 0.000 0.993 69 D CA 1.827 55.885 54.000 0.096 0.000 0.828 69 D CB -0.488 40.371 40.800 0.099 0.000 0.968 69 D HN 0.406 nan 8.370 nan 0.000 0.448 70 A N 0.820 123.655 122.820 0.026 0.000 1.972 70 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 70 A C 2.069 179.680 177.584 0.046 0.000 1.169 70 A CA 1.429 53.479 52.037 0.021 0.000 0.635 70 A CB -0.356 18.630 19.000 -0.022 0.000 0.810 70 A HN 0.155 nan 8.150 nan 0.000 0.446 71 K N -0.580 119.843 120.400 0.038 0.000 2.097 71 K HA -0.001 4.319 4.320 -0.001 0.000 0.206 71 K C 1.729 178.373 176.600 0.072 0.000 1.049 71 K CA 1.321 57.631 56.287 0.039 0.000 0.933 71 K CB -0.263 32.248 32.500 0.019 0.000 0.717 71 K HN 0.475 nan 8.250 nan 0.000 0.442 72 L N -0.043 121.243 121.223 0.105 0.000 2.209 72 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 72 L C 2.305 179.293 176.870 0.198 0.000 1.094 72 L CA 1.269 56.214 54.840 0.174 0.000 0.790 72 L CB -0.171 42.037 42.059 0.249 0.000 0.932 72 L HN 0.339 nan 8.230 nan 0.000 0.447 73 T N -5.775 108.864 114.554 0.141 0.000 2.955 73 T HA 0.283 4.633 4.350 -0.001 0.000 0.251 73 T C 1.446 176.222 174.700 0.126 0.000 1.002 73 T CA 0.533 62.715 62.100 0.136 0.000 0.970 73 T CB 1.027 69.939 68.868 0.073 0.000 1.091 73 T HN 0.322 nan 8.240 nan 0.000 0.495 74 G N 1.505 110.378 108.800 0.121 0.000 2.176 74 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.253 74 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.253 74 G C -0.060 174.964 174.900 0.208 0.000 0.979 74 G CA 0.416 45.607 45.100 0.152 0.000 0.641 74 G HN 0.852 nan 8.290 nan 0.000 0.530 75 K N 0.213 120.706 120.400 0.154 0.000 2.098 75 K HA 0.694 5.013 4.320 -0.001 0.000 0.258 75 K C 0.645 177.248 176.600 0.005 0.000 0.973 75 K CA -1.102 55.294 56.287 0.182 0.000 0.898 75 K CB 0.979 33.547 32.500 0.114 0.000 1.057 75 K HN 0.177 nan 8.250 nan 0.000 0.447 76 I N 2.561 123.021 120.570 -0.184 0.000 2.683 76 I HA 0.051 4.221 4.170 -0.001 0.000 0.286 76 I C 0.257 176.254 176.117 -0.201 0.000 1.175 76 I CA 0.416 61.484 61.300 -0.387 0.000 1.429 76 I CB 0.387 37.962 38.000 -0.707 0.000 1.371 76 I HN 0.738 nan 8.210 nan 0.000 0.569 77 G N 6.439 115.147 108.800 -0.154 0.000 2.377 77 G HA2 0.540 4.499 3.960 -0.001 0.000 0.299 77 G HA3 0.540 4.499 3.960 -0.001 0.000 0.299 77 G C -1.072 173.788 174.900 -0.066 0.000 1.150 77 G CA -0.387 44.669 45.100 -0.073 0.000 0.847 77 G HN 0.504 nan 8.290 nan 0.000 0.501 78 V N 0.849 120.756 119.914 -0.012 0.000 2.735 78 V HA 0.650 4.770 4.120 -0.001 0.000 0.310 78 V C 0.133 176.297 176.094 0.117 0.000 1.061 78 V CA -0.678 61.625 62.300 0.006 0.000 0.913 78 V CB 1.270 33.075 31.823 -0.030 0.000 1.005 78 V HN 1.262 nan 8.190 nan 0.000 0.428 79 C N 3.079 122.443 119.300 0.106 0.000 3.241 79 C HA 0.988 5.448 4.460 -0.001 0.000 0.312 79 C C -1.004 174.062 174.990 0.127 0.000 1.350 79 C CA -0.970 58.113 59.018 0.108 0.000 1.415 79 C CB 1.156 28.930 27.740 0.058 0.000 1.770 79 C HN 1.008 nan 8.230 nan 0.000 0.466 80 F N -0.301 119.686 119.950 0.062 0.000 2.664 80 F HA 1.004 5.531 4.527 -0.000 0.000 0.317 80 F C -0.205 175.615 175.800 0.033 0.000 1.108 80 F CA -0.489 57.516 58.000 0.009 0.000 0.957 80 F CB 1.410 40.398 39.000 -0.019 0.000 1.365 80 F HN 1.206 nan 8.300 nan 0.000 0.475 81 G N 0.192 109.152 108.800 0.266 0.000 2.742 81 G HA2 0.533 4.493 3.960 -0.001 0.000 0.296 81 G HA3 0.533 4.493 3.960 -0.001 0.000 0.296 81 G C -1.514 173.490 174.900 0.174 0.000 1.436 81 G CA -0.587 44.615 45.100 0.170 0.000 0.928 81 G HN 1.009 nan 8.290 nan 0.000 0.520 82 S N 0.274 116.055 115.700 0.136 0.000 2.608 82 S HA 0.655 5.125 4.470 -0.001 0.000 0.261 82 S C 0.991 175.615 174.600 0.039 0.000 1.314 82 S CA 0.122 58.366 58.200 0.073 0.000 0.992 82 S CB 1.155 64.391 63.200 0.061 0.000 0.935 82 S HN 1.874 nan 8.310 nan 0.000 0.564 83 A N 0.818 123.649 122.820 0.018 0.000 2.507 83 A HA 0.539 4.859 4.320 -0.001 0.000 0.235 83 A C 1.511 179.090 177.584 -0.008 0.000 1.070 83 A CA 0.212 52.259 52.037 0.017 0.000 0.768 83 A CB -1.379 17.633 19.000 0.019 0.000 1.011 83 A HN 2.346 nan 8.150 nan 0.000 0.502 84 G N 1.660 110.461 108.800 0.003 0.000 2.574 84 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.301 84 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.301 84 G C -0.639 174.236 174.900 -0.041 0.000 1.166 84 G CA 0.495 45.574 45.100 -0.034 0.000 0.971 84 G HN 0.880 nan 8.290 nan 0.000 0.542 85 P HA 0.016 nan 4.420 nan 0.000 0.226 85 P C 1.829 178.998 177.300 -0.218 0.000 1.153 85 P CA 2.309 65.295 63.100 -0.189 0.000 0.777 85 P CB -0.576 30.989 31.700 -0.224 0.000 0.794 86 G N 0.721 109.468 108.800 -0.088 0.000 2.404 86 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.214 86 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.214 86 G C 1.860 176.794 174.900 0.055 0.000 1.189 86 G CA 0.841 45.931 45.100 -0.017 0.000 0.789 86 G HN 0.347 nan 8.290 nan 0.000 0.533 87 G N 0.525 109.377 108.800 0.087 0.000 2.402 87 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.216 87 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.216 87 G C 1.973 177.021 174.900 0.246 0.000 1.162 87 G CA 2.088 47.295 45.100 0.179 0.000 0.777 87 G HN 0.573 nan 8.290 nan 0.000 0.539 88 T N -2.553 112.092 114.554 0.151 0.000 3.035 88 T HA -0.029 4.321 4.350 -0.001 0.000 0.268 88 T C 1.844 176.666 174.700 0.204 0.000 1.109 88 T CA 1.168 63.344 62.100 0.127 0.000 1.119 88 T CB -0.561 68.325 68.868 0.030 0.000 0.900 88 T HN 0.536 nan 8.240 nan 0.000 0.503 89 H N 0.326 119.455 119.070 0.099 0.000 2.545 89 H HA 0.218 4.774 4.556 -0.001 0.000 0.282 89 H C 1.668 177.088 175.328 0.153 0.000 1.020 89 H CA 0.371 56.494 56.048 0.126 0.000 1.243 89 H CB -0.070 29.711 29.762 0.032 0.000 1.377 89 H HN 0.338 nan 8.280 nan 0.000 0.581 90 L N -0.213 121.157 121.223 0.245 0.000 2.418 90 L HA -0.117 4.223 4.340 -0.001 0.000 0.218 90 L C 2.051 179.018 176.870 0.161 0.000 1.125 90 L CA -0.169 54.771 54.840 0.167 0.000 0.835 90 L CB -0.122 42.015 42.059 0.130 0.000 0.953 90 L HN 0.332 nan 8.230 nan 0.000 0.454 91 M N 0.277 120.004 119.600 0.210 0.000 2.103 91 M HA -0.276 4.203 4.480 -0.001 0.000 0.255 91 M C 1.856 178.323 176.300 0.278 0.000 1.074 91 M CA 1.903 57.354 55.300 0.252 0.000 1.090 91 M CB -1.379 31.385 32.600 0.273 0.000 1.325 91 M HN 0.281 nan 8.290 nan 0.000 0.403 92 N N -0.035 118.811 118.700 0.243 0.000 2.309 92 N HA -0.056 4.684 4.740 -0.001 0.000 0.182 92 N C 1.739 177.361 175.510 0.187 0.000 1.018 92 N CA 1.409 54.637 53.050 0.297 0.000 0.876 92 N CB -0.510 38.117 38.487 0.232 0.000 0.972 92 N HN 0.506 nan 8.380 nan 0.000 0.434 93 G N 0.161 109.019 108.800 0.095 0.000 2.396 93 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.214 93 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.214 93 G C 1.406 176.286 174.900 -0.032 0.000 1.166 93 G CA 0.214 45.329 45.100 0.025 0.000 0.793 93 G HN 0.199 nan 8.290 nan 0.000 0.533 94 L N -1.056 120.138 121.223 -0.048 0.000 2.093 94 L HA -0.002 4.338 4.340 -0.001 0.000 0.208 94 L C 2.617 179.307 176.870 -0.300 0.000 1.085 94 L CA 0.785 55.535 54.840 -0.150 0.000 0.755 94 L CB -0.446 41.527 42.059 -0.143 0.000 0.904 94 L HN 0.135 nan 8.230 nan 0.000 0.435 95 Y N 0.238 120.335 120.300 -0.339 0.000 2.293 95 Y HA -0.250 4.300 4.550 -0.000 0.000 0.291 95 Y C 2.388 177.861 175.900 -0.712 0.000 1.137 95 Y CA 1.573 59.257 58.100 -0.693 0.000 1.202 95 Y CB -0.275 37.368 38.460 -1.361 0.000 0.990 95 Y HN 0.238 nan 8.280 nan 0.000 0.537 96 D N -0.300 119.911 120.400 -0.315 0.000 2.117 96 D HA -0.188 4.451 4.640 -0.001 0.000 0.197 96 D C 2.181 178.428 176.300 -0.087 0.000 0.987 96 D CA 1.394 55.351 54.000 -0.072 0.000 0.829 96 D CB -0.152 40.682 40.800 0.057 0.000 0.961 96 D HN 0.249 nan 8.370 nan 0.000 0.460 97 A N 0.092 122.843 122.820 -0.115 0.000 1.929 97 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 97 A C 2.274 179.795 177.584 -0.104 0.000 1.176 97 A CA 1.316 53.291 52.037 -0.103 0.000 0.628 97 A CB -0.548 18.391 19.000 -0.103 0.000 0.816 97 A HN 0.217 nan 8.150 nan 0.000 0.444 98 R N -0.403 120.011 120.500 -0.142 0.000 2.073 98 R HA -0.131 4.209 4.340 -0.001 0.000 0.234 98 R C 1.785 178.063 176.300 -0.035 0.000 1.134 98 R CA 1.596 57.635 56.100 -0.102 0.000 0.952 98 R CB -0.142 30.056 30.300 -0.169 0.000 0.850 98 R HN 0.408 nan 8.270 nan 0.000 0.433 99 E N 0.521 120.694 120.200 -0.045 0.000 2.107 99 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 99 E C 0.833 177.418 176.600 -0.025 0.000 0.982 99 E CA 0.998 57.411 56.400 0.023 0.000 0.809 99 E CB -0.072 29.679 29.700 0.086 0.000 0.756 99 E HN 0.346 nan 8.360 nan 0.000 0.459 100 D N 0.184 120.509 120.400 -0.125 0.000 2.336 100 D HA -0.007 4.633 4.640 -0.001 0.000 0.228 100 D C -0.465 175.433 176.300 -0.670 0.000 1.120 100 D CA 0.072 53.858 54.000 -0.356 0.000 0.839 100 D CB -0.693 39.984 40.800 -0.205 0.000 0.932 100 D HN 0.309 nan 8.370 nan 0.000 0.509 101 H N -1.970 117.110 119.070 0.016 0.000 2.415 101 H HA -0.165 4.390 4.556 -0.001 0.000 0.323 101 H C -0.536 174.800 175.328 0.014 0.000 1.035 101 H CA 0.335 56.393 56.048 0.016 0.000 1.098 101 H CB -2.646 27.134 29.762 0.031 0.000 1.575 101 H HN 0.025 nan 8.280 nan 0.000 0.387 102 V N -2.781 117.142 119.914 0.014 0.000 2.769 102 V HA 0.770 4.890 4.120 -0.001 0.000 0.312 102 V C -2.397 173.676 176.094 -0.034 0.000 1.061 102 V CA -2.453 59.855 62.300 0.013 0.000 0.931 102 V CB 2.752 34.561 31.823 -0.023 0.000 1.010 102 V HN 0.286 nan 8.190 nan 0.000 0.433 103 P HA 0.381 nan 4.420 nan 0.000 0.282 103 P C -0.858 176.314 177.300 -0.215 0.000 1.274 103 P CA 0.013 62.999 63.100 -0.190 0.000 0.770 103 P CB 1.507 33.000 31.700 -0.346 0.000 0.867 104 V N 5.053 124.856 119.914 -0.186 0.000 2.841 104 V HA 0.359 4.479 4.120 -0.001 0.000 0.310 104 V C -0.281 175.717 176.094 -0.161 0.000 1.090 104 V CA -0.830 61.377 62.300 -0.156 0.000 0.930 104 V CB 2.377 34.135 31.823 -0.108 0.000 1.014 104 V HN 0.405 nan 8.190 nan 0.000 0.425 105 L N 4.140 125.274 121.223 -0.149 0.000 2.333 105 L HA 0.954 5.294 4.340 -0.001 0.000 0.280 105 L C -0.076 176.742 176.870 -0.086 0.000 1.004 105 L CA -0.164 54.596 54.840 -0.134 0.000 0.820 105 L CB 1.393 43.355 42.059 -0.163 0.000 1.247 105 L HN 0.797 nan 8.230 nan 0.000 0.416 106 A N 6.225 128.989 122.820 -0.094 0.000 2.331 106 A HA 0.744 5.064 4.320 -0.001 0.000 0.320 106 A C -1.220 176.306 177.584 -0.096 0.000 1.138 106 A CA -0.576 51.414 52.037 -0.079 0.000 0.790 106 A CB 0.770 19.695 19.000 -0.126 0.000 1.206 106 A HN 0.718 nan 8.150 nan 0.000 0.470 107 L N 3.638 124.848 121.223 -0.022 0.000 2.295 107 L HA 0.494 4.833 4.340 -0.001 0.000 0.285 107 L C -0.733 176.109 176.870 -0.046 0.000 1.035 107 L CA -0.677 54.132 54.840 -0.052 0.000 0.806 107 L CB 1.295 43.331 42.059 -0.037 0.000 1.214 107 L HN 0.492 nan 8.230 nan 0.000 0.426 108 I N 2.158 122.656 120.570 -0.120 0.000 2.433 108 I HA 0.379 4.549 4.170 -0.001 0.000 0.292 108 I C 0.776 176.853 176.117 -0.066 0.000 1.001 108 I CA -0.324 60.917 61.300 -0.098 0.000 1.119 108 I CB 1.469 39.350 38.000 -0.198 0.000 1.289 108 I HN 0.562 nan 8.210 nan 0.000 0.438 109 G N 3.997 112.780 108.800 -0.028 0.000 2.594 109 G HA2 0.382 4.342 3.960 -0.001 0.000 0.243 109 G HA3 0.382 4.342 3.960 -0.001 0.000 0.243 109 G C -0.561 174.326 174.900 -0.023 0.000 1.229 109 G CA 0.131 45.202 45.100 -0.048 0.000 0.843 109 G HN 0.587 nan 8.290 nan 0.000 0.578 110 Q N -0.597 119.189 119.800 -0.025 0.000 2.472 110 Q HA 0.454 4.793 4.340 -0.001 0.000 0.281 110 Q C -1.267 174.766 176.000 0.054 0.000 0.997 110 Q CA -0.857 54.965 55.803 0.032 0.000 0.828 110 Q CB 1.182 29.934 28.738 0.023 0.000 1.443 110 Q HN 0.438 nan 8.270 nan 0.000 0.390 111 F N 1.276 121.210 119.950 -0.026 0.000 2.539 111 F HA 0.522 5.049 4.527 -0.001 0.000 0.340 111 F C 1.202 177.000 175.800 -0.004 0.000 1.185 111 F CA 1.577 59.573 58.000 -0.007 0.000 1.333 111 F CB 0.607 39.608 39.000 0.001 0.000 1.152 111 F HN 0.630 nan 8.300 nan 0.000 0.602 112 G N 1.510 110.302 108.800 -0.012 0.000 2.664 112 G HA2 0.221 4.180 3.960 -0.001 0.000 0.242 112 G HA3 0.221 4.180 3.960 -0.001 0.000 0.242 112 G C 0.824 175.839 174.900 0.191 0.000 1.225 112 G CA 0.052 45.188 45.100 0.060 0.000 0.849 112 G HN 0.899 nan 8.290 nan 0.000 0.581 113 T N -1.873 112.745 114.554 0.107 0.000 2.803 113 T HA -0.229 4.120 4.350 -0.001 0.000 0.269 113 T C 2.305 177.072 174.700 0.111 0.000 1.052 113 T CA 2.177 64.333 62.100 0.094 0.000 1.136 113 T CB -0.893 68.009 68.868 0.056 0.000 0.864 113 T HN 0.601 nan 8.240 nan 0.000 0.467 114 T N -0.386 114.244 114.554 0.127 0.000 2.929 114 T HA 0.120 4.470 4.350 -0.001 0.000 0.271 114 T C 1.985 176.781 174.700 0.160 0.000 1.085 114 T CA 1.050 63.226 62.100 0.126 0.000 1.125 114 T CB -0.596 68.342 68.868 0.117 0.000 0.874 114 T HN 0.589 nan 8.240 nan 0.000 0.494 115 G N -0.311 108.648 108.800 0.266 0.000 3.274 115 G HA2 0.437 4.397 3.960 -0.001 0.000 0.250 115 G HA3 0.437 4.397 3.960 -0.001 0.000 0.250 115 G C 0.292 175.158 174.900 -0.055 0.000 1.024 115 G CA -0.619 44.567 45.100 0.145 0.000 0.840 115 G HN 0.359 nan 8.290 nan 0.000 0.522 116 M N 1.204 120.848 119.600 0.073 0.000 2.252 116 M HA 0.096 4.575 4.480 -0.001 0.000 0.329 116 M C 0.711 176.990 176.300 -0.034 0.000 1.101 116 M CA 0.226 55.531 55.300 0.009 0.000 1.117 116 M CB 0.298 32.933 32.600 0.058 0.000 1.563 116 M HN 0.144 nan 8.290 nan 0.000 0.445 117 N N 0.459 119.127 118.700 -0.052 0.000 2.732 117 N HA -0.196 4.543 4.740 -0.001 0.000 0.250 117 N C 0.136 175.611 175.510 -0.059 0.000 1.097 117 N CA 1.016 54.038 53.050 -0.046 0.000 0.812 117 N CB -0.698 37.776 38.487 -0.022 0.000 1.148 117 N HN 0.608 nan 8.380 nan 0.000 0.572 118 M N 0.287 119.830 119.600 -0.095 0.000 2.502 118 M HA 0.052 4.532 4.480 -0.001 0.000 0.243 118 M C -0.148 176.093 176.300 -0.098 0.000 1.130 118 M CA 0.457 55.704 55.300 -0.089 0.000 1.055 118 M CB -0.524 32.014 32.600 -0.103 0.000 1.457 118 M HN 0.037 nan 8.290 nan 0.000 0.488 119 D N 1.489 121.819 120.400 -0.116 0.000 2.760 119 D HA -0.141 4.498 4.640 -0.001 0.000 0.244 119 D C 0.316 176.550 176.300 -0.108 0.000 1.123 119 D CA 0.781 54.723 54.000 -0.097 0.000 0.719 119 D CB -0.975 39.792 40.800 -0.054 0.000 1.045 119 D HN 0.284 nan 8.370 nan 0.000 0.426 120 T N -0.892 113.540 114.554 -0.204 0.000 2.889 120 T HA 0.466 4.816 4.350 -0.001 0.000 0.278 120 T C -0.250 174.392 174.700 -0.098 0.000 0.995 120 T CA -0.679 61.307 62.100 -0.189 0.000 0.966 120 T CB 0.873 69.492 68.868 -0.414 0.000 1.237 120 T HN 0.078 nan 8.240 nan 0.000 0.591 121 F N 2.427 122.304 119.950 -0.121 0.000 2.578 121 F HA 0.205 4.731 4.527 -0.001 0.000 0.381 121 F C 1.333 177.152 175.800 0.031 0.000 1.069 121 F CA 0.350 58.344 58.000 -0.010 0.000 1.231 121 F CB -0.294 38.744 39.000 0.064 0.000 1.086 121 F HN 0.817 nan 8.300 nan 0.000 0.564 122 Q N 2.472 121.902 119.800 -0.618 0.000 2.435 122 Q HA -0.286 4.053 4.340 -0.001 0.000 0.286 122 Q C -0.778 175.106 176.000 -0.193 0.000 1.229 122 Q CA 1.058 56.559 55.803 -0.504 0.000 0.884 122 Q CB -0.777 27.482 28.738 -0.799 0.000 1.245 122 Q HN 0.733 nan 8.270 nan 0.000 0.488 123 E N 1.115 121.220 120.200 -0.158 0.000 2.187 123 E HA 0.591 4.940 4.350 -0.001 0.000 0.268 123 E C -0.399 176.144 176.600 -0.095 0.000 0.896 123 E CA -0.393 55.940 56.400 -0.112 0.000 0.766 123 E CB 0.976 30.503 29.700 -0.289 0.000 1.142 123 E HN 0.439 nan 8.360 nan 0.000 0.408 124 M N 2.213 121.782 119.600 -0.052 0.000 2.773 124 M HA 0.443 4.922 4.480 -0.001 0.000 0.270 124 M C -0.905 175.384 176.300 -0.017 0.000 1.238 124 M CA -1.116 54.159 55.300 -0.041 0.000 0.832 124 M CB 1.229 33.804 32.600 -0.041 0.000 1.672 124 M HN 0.162 nan 8.290 nan 0.000 0.480 125 N N 1.619 120.309 118.700 -0.015 0.000 2.402 125 N HA 0.125 4.865 4.740 -0.001 0.000 0.259 125 N C -0.082 175.434 175.510 0.009 0.000 1.167 125 N CA 0.407 53.456 53.050 -0.003 0.000 0.949 125 N CB 0.353 38.835 38.487 -0.008 0.000 1.212 125 N HN 0.746 nan 8.380 nan 0.000 0.493 126 E N 1.875 122.098 120.200 0.037 0.000 2.435 126 E HA -0.093 4.256 4.350 -0.001 0.000 0.195 126 E C 1.113 177.788 176.600 0.126 0.000 1.029 126 E CA 0.037 56.489 56.400 0.087 0.000 0.865 126 E CB 0.123 29.912 29.700 0.148 0.000 0.833 126 E HN 0.627 nan 8.360 nan 0.000 0.510 127 N N 1.406 120.153 118.700 0.078 0.000 2.120 127 N HA -0.096 4.644 4.740 -0.001 0.000 0.188 127 N C -0.926 174.613 175.510 0.049 0.000 1.024 127 N CA 1.010 54.107 53.050 0.078 0.000 0.852 127 N CB -0.346 38.155 38.487 0.022 0.000 1.003 127 N HN 0.073 nan 8.380 nan 0.000 0.424 128 P HA -0.049 nan 4.420 nan 0.000 0.219 128 P C 1.323 178.573 177.300 -0.083 0.000 1.146 128 P CA 0.852 63.935 63.100 -0.028 0.000 0.808 128 P CB -0.023 31.660 31.700 -0.029 0.000 0.779 129 I N -2.806 117.660 120.570 -0.173 0.000 2.493 129 I HA -0.211 3.958 4.170 -0.001 0.000 0.254 129 I C 1.241 177.002 176.117 -0.594 0.000 1.160 129 I CA 1.481 62.522 61.300 -0.432 0.000 1.445 129 I CB -0.481 37.115 38.000 -0.674 0.000 1.086 129 I HN -0.012 nan 8.210 nan 0.000 0.433 130 Y N -0.111 120.176 120.300 -0.022 0.000 2.507 130 Y HA 0.396 4.945 4.550 -0.000 0.000 0.254 130 Y C 2.178 178.044 175.900 -0.057 0.000 1.171 130 Y CA 0.059 58.131 58.100 -0.047 0.000 1.238 130 Y CB -0.281 38.142 38.460 -0.062 0.000 1.148 130 Y HN -0.014 nan 8.280 nan 0.000 0.525 131 A N 0.079 122.919 122.820 0.034 0.000 1.933 131 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 131 A C 1.825 179.416 177.584 0.011 0.000 1.175 131 A CA 2.291 54.338 52.037 0.018 0.000 0.628 131 A CB -0.461 18.542 19.000 0.005 0.000 0.814 131 A HN 0.428 nan 8.150 nan 0.000 0.444 132 D N -1.249 119.161 120.400 0.018 0.000 2.137 132 D HA -0.077 4.563 4.640 -0.001 0.000 0.202 132 D C 1.721 178.010 176.300 -0.019 0.000 0.970 132 D CA 1.280 55.304 54.000 0.040 0.000 0.837 132 D CB -0.004 40.868 40.800 0.121 0.000 0.981 132 D HN 0.091 nan 8.370 nan 0.000 0.475 133 V N -0.242 119.587 119.914 -0.142 0.000 2.788 133 V HA 0.301 4.421 4.120 -0.001 0.000 0.251 133 V C 0.707 176.680 176.094 -0.202 0.000 1.068 133 V CA 0.933 63.005 62.300 -0.380 0.000 1.090 133 V CB -0.246 31.079 31.823 -0.830 0.000 0.710 133 V HN 0.295 nan 8.190 nan 0.000 0.467 134 A N -0.098 122.669 122.820 -0.089 0.000 2.301 134 A HA 0.363 4.683 4.320 -0.001 0.000 0.312 134 A C 0.783 178.363 177.584 -0.006 0.000 1.182 134 A CA 0.247 52.258 52.037 -0.044 0.000 0.826 134 A CB 0.893 19.884 19.000 -0.014 0.000 1.134 134 A HN 0.471 nan 8.150 nan 0.000 0.501 135 D N 0.189 120.602 120.400 0.022 0.000 2.194 135 D HA -0.063 4.577 4.640 -0.001 0.000 0.204 135 D C -0.227 176.164 176.300 0.151 0.000 0.964 135 D CA 1.374 55.412 54.000 0.064 0.000 0.846 135 D CB 0.036 40.889 40.800 0.088 0.000 0.962 135 D HN 0.468 nan 8.370 nan 0.000 0.490 136 Y N 0.109 120.400 120.300 -0.014 0.000 2.406 136 Y HA 0.516 5.066 4.550 -0.001 0.000 0.340 136 Y C -1.582 174.301 175.900 -0.028 0.000 0.975 136 Y CA -1.617 56.475 58.100 -0.013 0.000 1.056 136 Y CB 1.425 39.874 38.460 -0.018 0.000 1.210 136 Y HN -0.182 nan 8.280 nan 0.000 0.448 137 N N 4.874 123.347 118.700 -0.378 0.000 2.621 137 N HA 0.503 5.243 4.740 -0.001 0.000 0.271 137 N C -2.302 173.006 175.510 -0.336 0.000 1.181 137 N CA -0.357 52.537 53.050 -0.259 0.000 0.805 137 N CB 1.012 39.447 38.487 -0.086 0.000 1.351 137 N HN 0.474 nan 8.380 nan 0.000 0.539 138 V N -0.152 119.535 119.914 -0.378 0.000 2.876 138 V HA 0.742 4.861 4.120 -0.001 0.000 0.312 138 V C -0.121 175.875 176.094 -0.163 0.000 1.085 138 V CA -0.705 61.418 62.300 -0.295 0.000 0.945 138 V CB 1.630 33.210 31.823 -0.404 0.000 1.017 138 V HN 0.388 nan 8.190 nan 0.000 0.428 139 T N 3.229 117.722 114.554 -0.101 0.000 2.749 139 T HA 0.723 5.073 4.350 -0.001 0.000 0.287 139 T C 0.278 174.948 174.700 -0.050 0.000 0.970 139 T CA 0.234 62.297 62.100 -0.062 0.000 0.980 139 T CB 1.226 70.075 68.868 -0.033 0.000 0.924 139 T HN 1.361 nan 8.240 nan 0.000 0.456 140 A N 2.574 125.366 122.820 -0.046 0.000 2.409 140 A HA 0.472 4.792 4.320 -0.001 0.000 0.262 140 A C 1.249 178.823 177.584 -0.017 0.000 1.113 140 A CA -0.573 51.448 52.037 -0.027 0.000 0.790 140 A CB 0.056 19.035 19.000 -0.035 0.000 1.046 140 A HN 0.979 nan 8.150 nan 0.000 0.496 141 V N 0.116 120.029 119.914 -0.003 0.000 3.477 141 V HA 0.331 4.451 4.120 -0.001 0.000 0.297 141 V C 0.227 176.327 176.094 0.009 0.000 1.433 141 V CA 0.251 62.553 62.300 0.004 0.000 1.052 141 V CB -0.627 31.201 31.823 0.008 0.000 0.895 141 V HN 0.790 nan 8.190 nan 0.000 0.438 142 N N 0.185 118.890 118.700 0.009 0.000 2.287 142 N HA 0.557 5.296 4.740 -0.001 0.000 0.289 142 N C 0.622 176.138 175.510 0.009 0.000 1.066 142 N CA 0.422 53.480 53.050 0.014 0.000 0.841 142 N CB 2.563 41.063 38.487 0.022 0.000 1.599 142 N HN 0.098 nan 8.380 nan 0.000 0.476 143 A N 2.858 125.682 122.820 0.006 0.000 1.968 143 A HA 0.121 4.441 4.320 -0.001 0.000 0.217 143 A C 1.928 179.516 177.584 0.007 0.000 1.169 143 A CA 1.656 53.690 52.037 -0.005 0.000 0.638 143 A CB -0.477 18.520 19.000 -0.005 0.000 0.812 143 A HN 0.743 nan 8.150 nan 0.000 0.446 144 A N -0.060 122.777 122.820 0.027 0.000 1.969 144 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 144 A C 2.306 179.931 177.584 0.068 0.000 1.169 144 A CA 2.200 54.267 52.037 0.050 0.000 0.635 144 A CB -1.115 17.918 19.000 0.055 0.000 0.810 144 A HN 0.694 nan 8.150 nan 0.000 0.445 145 T N -2.468 112.121 114.554 0.059 0.000 3.088 145 T HA 0.047 4.397 4.350 -0.001 0.000 0.259 145 T C 1.617 176.373 174.700 0.093 0.000 1.122 145 T CA 0.894 63.045 62.100 0.085 0.000 1.095 145 T CB -0.264 68.647 68.868 0.071 0.000 0.930 145 T HN 0.156 nan 8.240 nan 0.000 0.508 146 L N 2.560 123.808 121.223 0.042 0.000 2.042 146 L HA 0.110 4.449 4.340 -0.001 0.000 0.210 146 L C -0.879 175.992 176.870 0.002 0.000 1.076 146 L CA 1.784 56.628 54.840 0.007 0.000 0.749 146 L CB -1.236 40.799 42.059 -0.041 0.000 0.893 146 L HN 0.116 nan 8.230 nan 0.000 0.432 147 P HA -0.215 nan 4.420 nan 0.000 0.215 147 P C 1.526 178.862 177.300 0.061 0.000 1.153 147 P CA 1.681 64.794 63.100 0.021 0.000 0.853 147 P CB -0.309 31.430 31.700 0.065 0.000 0.788 148 H N -0.214 118.862 119.070 0.009 0.000 2.357 148 H HA -0.069 4.486 4.556 -0.001 0.000 0.301 148 H C 1.685 177.008 175.328 -0.008 0.000 1.082 148 H CA 1.358 57.386 56.048 -0.034 0.000 1.342 148 H CB -0.397 29.355 29.762 -0.016 0.000 1.389 148 H HN -0.131 nan 8.280 nan 0.000 0.511 149 V N 1.757 121.709 119.914 0.062 0.000 2.332 149 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 149 V C 2.831 178.916 176.094 -0.014 0.000 1.055 149 V CA 1.419 63.755 62.300 0.061 0.000 1.038 149 V CB -0.487 31.394 31.823 0.098 0.000 0.651 149 V HN 0.379 nan 8.190 nan 0.000 0.450 150 I N 0.433 120.973 120.570 -0.050 0.000 2.202 150 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 150 I C 2.385 178.409 176.117 -0.154 0.000 1.091 150 I CA 2.049 63.298 61.300 -0.086 0.000 1.368 150 I CB -1.297 36.654 38.000 -0.081 0.000 1.058 150 I HN 0.406 nan 8.210 nan 0.000 0.410 151 D N 0.819 121.131 120.400 -0.147 0.000 2.149 151 D HA -0.261 4.378 4.640 -0.001 0.000 0.198 151 D C 2.079 178.211 176.300 -0.279 0.000 0.990 151 D CA 1.327 55.240 54.000 -0.145 0.000 0.839 151 D CB 0.175 40.922 40.800 -0.088 0.000 0.948 151 D HN 0.205 nan 8.370 nan 0.000 0.460 152 E N -0.009 119.966 120.200 -0.375 0.000 2.051 152 E HA -0.101 4.248 4.350 -0.001 0.000 0.192 152 E C 1.919 178.209 176.600 -0.517 0.000 0.991 152 E CA 1.511 57.649 56.400 -0.436 0.000 0.799 152 E CB -0.643 28.807 29.700 -0.417 0.000 0.748 152 E HN 0.288 nan 8.360 nan 0.000 0.449 153 A N 0.621 123.209 122.820 -0.386 0.000 1.892 153 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 153 A C 2.383 179.769 177.584 -0.330 0.000 1.188 153 A CA 1.824 53.701 52.037 -0.267 0.000 0.631 153 A CB -0.823 18.173 19.000 -0.007 0.000 0.822 153 A HN 0.374 nan 8.150 nan 0.000 0.447 154 I N -1.456 118.856 120.570 -0.430 0.000 2.202 154 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 154 I C 2.794 178.580 176.117 -0.552 0.000 1.091 154 I CA 1.343 62.269 61.300 -0.623 0.000 1.368 154 I CB -0.438 36.953 38.000 -1.015 0.000 1.058 154 I HN 0.290 nan 8.210 nan 0.000 0.410 155 R N 0.648 120.873 120.500 -0.458 0.000 2.103 155 R HA -0.168 4.171 4.340 -0.001 0.000 0.242 155 R C 2.516 178.701 176.300 -0.193 0.000 1.142 155 R CA 1.612 57.590 56.100 -0.204 0.000 0.960 155 R CB -0.197 30.048 30.300 -0.091 0.000 0.858 155 R HN 0.371 nan 8.270 nan 0.000 0.439 156 R N -0.398 119.928 120.500 -0.291 0.000 2.073 156 R HA -0.004 4.335 4.340 -0.001 0.000 0.229 156 R C 2.325 178.495 176.300 -0.217 0.000 1.120 156 R CA 1.067 56.981 56.100 -0.310 0.000 0.967 156 R CB -0.285 29.880 30.300 -0.225 0.000 0.862 156 R HN 0.186 nan 8.270 nan 0.000 0.436 157 A N 0.671 123.373 122.820 -0.196 0.000 1.908 157 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 157 A C 1.786 179.274 177.584 -0.160 0.000 1.181 157 A CA 1.321 53.251 52.037 -0.178 0.000 0.627 157 A CB -0.648 18.175 19.000 -0.294 0.000 0.818 157 A HN 0.265 nan 8.150 nan 0.000 0.445 158 Y N -0.300 119.893 120.300 -0.179 0.000 2.133 158 Y HA -0.051 4.499 4.550 -0.001 0.000 0.287 158 Y C 3.006 178.874 175.900 -0.052 0.000 1.134 158 Y CA 0.782 58.828 58.100 -0.091 0.000 1.133 158 Y CB -0.906 37.506 38.460 -0.079 0.000 0.987 158 Y HN 0.315 nan 8.280 nan 0.000 0.502 159 A N -0.640 122.186 122.820 0.010 0.000 1.908 159 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 159 A C 1.535 179.041 177.584 -0.129 0.000 1.181 159 A CA 2.213 54.159 52.037 -0.151 0.000 0.627 159 A CB -1.067 17.663 19.000 -0.449 0.000 0.818 159 A HN 0.713 nan 8.150 nan 0.000 0.445 160 H N -1.606 117.497 119.070 0.055 0.000 2.586 160 H HA 0.169 4.724 4.556 -0.001 0.000 0.273 160 H C -0.255 175.097 175.328 0.040 0.000 0.997 160 H CA -0.092 55.977 56.048 0.037 0.000 1.177 160 H CB 0.382 30.155 29.762 0.018 0.000 1.471 160 H HN 0.315 nan 8.280 nan 0.000 0.538 161 Q N 0.594 120.467 119.800 0.121 0.000 2.443 161 Q HA -0.142 4.198 4.340 -0.001 0.000 0.337 161 Q C 0.265 176.314 176.000 0.081 0.000 1.401 161 Q CA 1.034 56.898 55.803 0.102 0.000 0.943 161 Q CB -1.554 27.265 28.738 0.135 0.000 1.177 161 Q HN 0.791 nan 8.270 nan 0.000 0.394 162 G N -2.014 106.807 108.800 0.035 0.000 2.782 162 G HA2 0.625 4.585 3.960 -0.001 0.000 0.304 162 G HA3 0.625 4.585 3.960 -0.001 0.000 0.304 162 G C -0.982 173.890 174.900 -0.046 0.000 1.315 162 G CA -0.369 44.736 45.100 0.007 0.000 0.791 162 G HN 0.083 nan 8.290 nan 0.000 0.519 163 V N 0.563 120.442 119.914 -0.057 0.000 2.509 163 V HA 0.660 4.780 4.120 -0.001 0.000 0.284 163 V C 0.415 176.484 176.094 -0.042 0.000 1.047 163 V CA -0.092 62.159 62.300 -0.082 0.000 0.952 163 V CB 1.044 32.795 31.823 -0.121 0.000 0.988 163 V HN 1.153 nan 8.190 nan 0.000 0.469 164 A N 4.816 127.606 122.820 -0.049 0.000 2.343 164 A HA 0.840 5.159 4.320 -0.001 0.000 0.316 164 A C -1.052 176.508 177.584 -0.040 0.000 1.104 164 A CA -0.499 51.551 52.037 0.022 0.000 0.768 164 A CB 1.667 20.684 19.000 0.028 0.000 1.213 164 A HN 0.617 nan 8.150 nan 0.000 0.456 165 V N 2.857 122.732 119.914 -0.065 0.000 2.487 165 V HA 0.541 4.661 4.120 -0.001 0.000 0.298 165 V C -0.635 175.352 176.094 -0.178 0.000 1.028 165 V CA -0.480 61.715 62.300 -0.175 0.000 0.860 165 V CB 1.768 33.431 31.823 -0.266 0.000 0.991 165 V HN 0.683 nan 8.190 nan 0.000 0.427 166 V N 4.686 124.496 119.914 -0.172 0.000 2.483 166 V HA 0.440 4.559 4.120 -0.001 0.000 0.297 166 V C -0.557 175.442 176.094 -0.159 0.000 1.027 166 V CA -0.782 61.429 62.300 -0.147 0.000 0.855 166 V CB 1.786 33.556 31.823 -0.088 0.000 0.995 166 V HN 0.930 nan 8.190 nan 0.000 0.424 167 Q N 4.480 124.197 119.800 -0.140 0.000 2.296 167 Q HA 0.617 4.957 4.340 -0.001 0.000 0.257 167 Q C -0.728 175.222 176.000 -0.085 0.000 0.942 167 Q CA 0.177 55.915 55.803 -0.108 0.000 0.939 167 Q CB 1.626 30.327 28.738 -0.061 0.000 1.198 167 Q HN 0.684 nan 8.270 nan 0.000 0.429 168 I N 4.639 125.154 120.570 -0.093 0.000 2.355 168 I HA 0.341 4.510 4.170 -0.001 0.000 0.288 168 I C -2.248 173.815 176.117 -0.091 0.000 0.999 168 I CA -2.609 58.632 61.300 -0.099 0.000 1.163 168 I CB 1.635 39.551 38.000 -0.139 0.000 1.316 168 I HN 0.321 nan 8.210 nan 0.000 0.454 169 P HA -0.031 nan 4.420 nan 0.000 0.267 169 P C 0.974 178.212 177.300 -0.104 0.000 1.209 169 P CA 0.116 63.188 63.100 -0.047 0.000 0.763 169 P CB 1.022 32.718 31.700 -0.007 0.000 0.816 170 V N 3.849 123.679 119.914 -0.140 0.000 2.546 170 V HA -0.257 3.863 4.120 -0.001 0.000 0.254 170 V C 1.678 177.645 176.094 -0.212 0.000 1.076 170 V CA 2.637 64.797 62.300 -0.235 0.000 1.087 170 V CB -0.806 30.874 31.823 -0.238 0.000 0.674 170 V HN 0.649 nan 8.190 nan 0.000 0.470 171 D N -0.771 119.590 120.400 -0.066 0.000 2.224 171 D HA -0.167 4.473 4.640 -0.001 0.000 0.205 171 D C 1.969 178.286 176.300 0.029 0.000 0.965 171 D CA 1.230 55.264 54.000 0.057 0.000 0.852 171 D CB -0.449 40.391 40.800 0.067 0.000 0.947 171 D HN 0.515 nan 8.370 nan 0.000 0.494 172 L N 0.253 121.451 121.223 -0.041 0.000 2.056 172 L HA -0.024 4.316 4.340 -0.001 0.000 0.207 172 L C -0.304 176.518 176.870 -0.080 0.000 1.078 172 L CA 1.014 55.829 54.840 -0.040 0.000 0.749 172 L CB -1.760 40.268 42.059 -0.052 0.000 0.901 172 L HN 0.045 nan 8.230 nan 0.000 0.433 173 P HA -0.180 nan 4.420 nan 0.000 0.221 173 P C 1.039 178.230 177.300 -0.182 0.000 1.145 173 P CA 1.189 64.139 63.100 -0.250 0.000 0.795 173 P CB -0.054 31.404 31.700 -0.403 0.000 0.775 174 W N -0.151 121.098 121.300 -0.083 0.000 3.256 174 W HA 0.189 4.849 4.660 -0.001 0.000 0.269 174 W C 0.652 177.135 176.519 -0.059 0.000 1.310 174 W CA 0.188 57.489 57.345 -0.073 0.000 1.673 174 W CB -0.693 28.726 29.460 -0.069 0.000 1.115 174 W HN 0.148 nan 8.180 nan 0.000 0.686 175 Q N 0.609 120.483 119.800 0.124 0.000 2.312 175 Q HA 0.123 4.462 4.340 -0.001 0.000 0.236 175 Q C 0.417 176.443 176.000 0.044 0.000 0.965 175 Q CA -0.147 55.700 55.803 0.073 0.000 0.894 175 Q CB 0.950 29.715 28.738 0.045 0.000 1.225 175 Q HN -0.161 nan 8.270 nan 0.000 0.478 176 Q N 1.739 121.561 119.800 0.037 0.000 2.243 176 Q HA 0.455 4.795 4.340 -0.001 0.000 0.252 176 Q C -0.391 175.626 176.000 0.029 0.000 0.909 176 Q CA -0.136 55.684 55.803 0.029 0.000 0.922 176 Q CB 1.129 29.884 28.738 0.029 0.000 1.215 176 Q HN 0.540 nan 8.270 nan 0.000 0.427 177 I N -1.679 118.910 120.570 0.032 0.000 2.934 177 I HA 0.589 4.759 4.170 -0.001 0.000 0.306 177 I C -2.697 173.470 176.117 0.082 0.000 1.110 177 I CA -3.236 58.096 61.300 0.053 0.000 1.019 177 I CB 2.271 40.302 38.000 0.051 0.000 1.227 177 I HN 0.203 nan 8.210 nan 0.000 0.434 178 P HA 0.133 nan 4.420 nan 0.000 0.271 178 P C 0.463 177.879 177.300 0.194 0.000 1.233 178 P CA -0.065 63.104 63.100 0.115 0.000 0.764 178 P CB 1.247 33.003 31.700 0.092 0.000 0.825 179 A N 4.727 127.667 122.820 0.201 0.000 2.131 179 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 179 A C 1.696 179.443 177.584 0.272 0.000 1.158 179 A CA 1.448 53.681 52.037 0.327 0.000 0.665 179 A CB -0.697 18.446 19.000 0.238 0.000 0.795 179 A HN 0.611 nan 8.150 nan 0.000 0.460 180 E N -0.460 119.816 120.200 0.126 0.000 2.474 180 E HA -0.050 4.300 4.350 -0.001 0.000 0.194 180 E C -0.170 176.422 176.600 -0.013 0.000 1.041 180 E CA 0.658 57.060 56.400 0.003 0.000 0.874 180 E CB -0.336 29.366 29.700 0.003 0.000 0.914 180 E HN 0.437 nan 8.360 nan 0.000 0.498 181 D N 0.910 121.373 120.400 0.106 0.000 2.340 181 D HA 0.038 4.678 4.640 -0.001 0.000 0.220 181 D C 0.090 176.514 176.300 0.207 0.000 1.039 181 D CA 0.136 54.213 54.000 0.128 0.000 0.866 181 D CB -0.102 40.783 40.800 0.142 0.000 0.913 181 D HN 0.382 nan 8.370 nan 0.000 0.523 182 W N 1.245 122.624 121.300 0.130 0.000 2.719 182 W HA 0.555 5.215 4.660 -0.001 0.000 0.352 182 W C -1.036 175.619 176.519 0.227 0.000 1.085 182 W CA -1.229 56.197 57.345 0.135 0.000 1.187 182 W CB 0.161 29.658 29.460 0.062 0.000 1.417 182 W HN -0.140 nan 8.180 nan 0.000 0.557 183 Y N -0.664 119.630 120.300 -0.010 0.000 2.656 183 Y HA 0.762 5.312 4.550 -0.001 0.000 0.334 183 Y C -1.705 174.280 175.900 0.143 0.000 1.179 183 Y CA -2.028 55.947 58.100 -0.208 0.000 1.050 183 Y CB 0.695 39.049 38.460 -0.176 0.000 1.308 183 Y HN 0.757 nan 8.280 nan 0.000 0.456 184 A N 0.929 123.831 122.820 0.137 0.000 2.304 184 A HA 0.546 4.866 4.320 -0.001 0.000 0.314 184 A C 0.133 177.792 177.584 0.125 0.000 1.187 184 A CA -0.331 51.793 52.037 0.145 0.000 0.810 184 A CB 0.499 19.603 19.000 0.174 0.000 1.183 184 A HN 1.239 nan 8.150 nan 0.000 0.487 185 S N 1.965 117.775 115.700 0.182 0.000 2.906 185 S HA 0.231 4.700 4.470 -0.001 0.000 0.234 185 S C 1.337 175.809 174.600 -0.214 0.000 0.973 185 S CA 0.376 58.678 58.200 0.170 0.000 1.036 185 S CB -0.214 63.178 63.200 0.320 0.000 0.798 185 S HN 1.209 nan 8.310 nan 0.000 0.498 186 A N 3.841 126.179 122.820 -0.805 0.000 1.940 186 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 186 A C 2.278 179.505 177.584 -0.594 0.000 1.176 186 A CA 1.656 52.812 52.037 -1.468 0.000 0.631 186 A CB -0.892 17.295 19.000 -1.354 0.000 0.814 186 A HN 0.842 nan 8.150 nan 0.000 0.446 187 N N -0.096 118.408 118.700 -0.326 0.000 2.443 187 N HA -0.091 4.648 4.740 -0.001 0.000 0.184 187 N C 1.071 176.523 175.510 -0.097 0.000 1.037 187 N CA 1.680 54.631 53.050 -0.166 0.000 0.896 187 N CB -0.379 38.039 38.487 -0.115 0.000 0.959 187 N HN 0.334 nan 8.380 nan 0.000 0.442 188 S N -0.892 114.770 115.700 -0.064 0.000 2.517 188 S HA 0.045 4.515 4.470 -0.001 0.000 0.214 188 S C 0.052 174.661 174.600 0.015 0.000 0.991 188 S CA -0.656 57.539 58.200 -0.009 0.000 0.906 188 S CB -0.243 62.980 63.200 0.037 0.000 0.789 188 S HN 0.442 nan 8.310 nan 0.000 0.513 189 Y N 4.600 124.836 120.300 -0.106 0.000 2.610 189 Y HA 0.236 4.785 4.550 -0.001 0.000 0.332 189 Y C 0.295 176.152 175.900 -0.072 0.000 1.201 189 Y CA 0.087 58.151 58.100 -0.059 0.000 1.465 189 Y CB 0.193 38.612 38.460 -0.068 0.000 1.283 189 Y HN 0.253 nan 8.280 nan 0.000 0.563 190 Q N 2.293 121.620 119.800 -0.787 0.000 2.578 190 Q HA 0.389 4.729 4.340 -0.001 0.000 0.284 190 Q C -1.542 174.129 176.000 -0.550 0.000 0.960 190 Q CA -1.128 54.361 55.803 -0.524 0.000 0.809 190 Q CB 1.153 29.744 28.738 -0.246 0.000 1.462 190 Q HN 0.508 nan 8.270 nan 0.000 0.392 191 T N 3.271 117.639 114.554 -0.310 0.000 2.869 191 T HA 0.412 4.762 4.350 -0.001 0.000 0.295 191 T C -2.016 172.601 174.700 -0.139 0.000 0.987 191 T CA -0.747 61.236 62.100 -0.195 0.000 1.109 191 T CB 0.426 69.232 68.868 -0.105 0.000 0.932 191 T HN 0.429 nan 8.240 nan 0.000 0.518 192 P HA 0.236 nan 4.420 nan 0.000 0.271 192 P C -0.890 176.379 177.300 -0.052 0.000 1.216 192 P CA -0.435 62.621 63.100 -0.072 0.000 0.776 192 P CB 0.633 32.298 31.700 -0.057 0.000 0.881 193 L N 3.307 124.504 121.223 -0.043 0.000 2.268 193 L HA 0.358 4.697 4.340 -0.001 0.000 0.289 193 L C 0.599 177.453 176.870 -0.026 0.000 1.064 193 L CA -0.642 54.178 54.840 -0.032 0.000 0.824 193 L CB 0.023 42.065 42.059 -0.029 0.000 1.202 193 L HN 0.232 nan 8.230 nan 0.000 0.433 194 L N 4.984 126.194 121.223 -0.023 0.000 2.399 194 L HA 0.454 4.793 4.340 -0.001 0.000 0.266 194 L C -1.521 175.340 176.870 -0.015 0.000 1.114 194 L CA -1.778 53.051 54.840 -0.018 0.000 0.804 194 L CB 0.718 42.768 42.059 -0.016 0.000 1.146 194 L HN 0.450 nan 8.230 nan 0.000 0.451 195 P HA 0.063 nan 4.420 nan 0.000 0.270 195 P C -0.892 176.402 177.300 -0.011 0.000 1.223 195 P CA -0.429 62.664 63.100 -0.011 0.000 0.785 195 P CB 0.623 32.317 31.700 -0.009 0.000 0.923 196 E N 2.056 122.250 120.200 -0.011 0.000 2.383 196 E HA 0.181 4.531 4.350 -0.001 0.000 0.264 196 E C -1.722 174.872 176.600 -0.009 0.000 1.050 196 E CA -1.607 54.787 56.400 -0.011 0.000 0.896 196 E CB -0.457 29.236 29.700 -0.011 0.000 0.982 196 E HN 0.417 nan 8.360 nan 0.000 0.424 197 P HA -0.020 nan 4.420 nan 0.000 0.265 197 P C -0.504 176.791 177.300 -0.008 0.000 1.193 197 P CA -0.299 62.796 63.100 -0.008 0.000 0.765 197 P CB 0.369 32.064 31.700 -0.009 0.000 0.823 198 D N 2.574 122.971 120.400 -0.006 0.000 2.412 198 D HA -0.084 4.556 4.640 -0.001 0.000 0.257 198 D C 1.289 177.584 176.300 -0.007 0.000 1.217 198 D CA -0.328 53.668 54.000 -0.006 0.000 0.897 198 D CB 0.849 41.646 40.800 -0.004 0.000 1.132 198 D HN 0.082 nan 8.370 nan 0.000 0.493 199 V N 2.854 122.763 119.914 -0.008 0.000 2.439 199 V HA -0.351 3.768 4.120 -0.001 0.000 0.253 199 V C 2.062 178.150 176.094 -0.010 0.000 1.074 199 V CA 2.134 64.428 62.300 -0.010 0.000 1.076 199 V CB -0.306 31.511 31.823 -0.010 0.000 0.664 199 V HN 0.583 nan 8.190 nan 0.000 0.461 200 Q N -0.629 119.165 119.800 -0.009 0.000 2.187 200 Q HA 0.001 4.341 4.340 -0.001 0.000 0.199 200 Q C 2.353 178.346 176.000 -0.012 0.000 0.957 200 Q CA 1.386 57.182 55.803 -0.011 0.000 0.857 200 Q CB -0.278 28.455 28.738 -0.009 0.000 0.929 200 Q HN 0.752 nan 8.270 nan 0.000 0.453 201 A N 0.459 123.274 122.820 -0.009 0.000 1.968 201 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 201 A C 2.296 179.873 177.584 -0.011 0.000 1.169 201 A CA 0.826 52.858 52.037 -0.009 0.000 0.638 201 A CB -0.408 18.590 19.000 -0.004 0.000 0.812 201 A HN 0.168 nan 8.150 nan 0.000 0.446 202 V N -0.277 119.630 119.914 -0.011 0.000 2.295 202 V HA -0.221 3.899 4.120 -0.001 0.000 0.246 202 V C 2.736 178.820 176.094 -0.016 0.000 1.049 202 V CA 2.503 64.795 62.300 -0.013 0.000 1.024 202 V CB -1.297 30.519 31.823 -0.012 0.000 0.648 202 V HN 0.575 nan 8.190 nan 0.000 0.447 203 T N -0.445 114.099 114.554 -0.017 0.000 2.708 203 T HA -0.202 4.147 4.350 -0.001 0.000 0.266 203 T C 2.095 176.780 174.700 -0.025 0.000 1.037 203 T CA 1.573 63.661 62.100 -0.019 0.000 1.146 203 T CB -0.258 68.600 68.868 -0.018 0.000 0.865 203 T HN 0.366 nan 8.240 nan 0.000 0.435 204 R N 0.138 120.622 120.500 -0.026 0.000 2.091 204 R HA -0.046 4.294 4.340 -0.001 0.000 0.238 204 R C 2.395 178.669 176.300 -0.043 0.000 1.136 204 R CA 1.129 57.207 56.100 -0.036 0.000 0.959 204 R CB -0.560 29.721 30.300 -0.032 0.000 0.856 204 R HN 0.245 nan 8.270 nan 0.000 0.437 205 L N 0.230 121.434 121.223 -0.032 0.000 2.017 205 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 205 L C 2.093 178.945 176.870 -0.030 0.000 1.073 205 L CA 1.864 56.686 54.840 -0.030 0.000 0.745 205 L CB -0.492 41.556 42.059 -0.018 0.000 0.894 205 L HN 0.135 nan 8.230 nan 0.000 0.432 206 T N -0.890 113.649 114.554 -0.024 0.000 2.684 206 T HA -0.214 4.136 4.350 -0.001 0.000 0.267 206 T C 1.839 176.523 174.700 -0.027 0.000 1.036 206 T CA 1.465 63.552 62.100 -0.021 0.000 1.148 206 T CB -0.220 68.636 68.868 -0.019 0.000 0.863 206 T HN 0.363 nan 8.240 nan 0.000 0.436 207 Q N 0.901 120.680 119.800 -0.036 0.000 2.030 207 Q HA -0.103 4.237 4.340 -0.001 0.000 0.204 207 Q C 2.633 178.600 176.000 -0.055 0.000 0.986 207 Q CA 1.748 57.526 55.803 -0.042 0.000 0.843 207 Q CB -1.323 27.386 28.738 -0.049 0.000 0.904 207 Q HN 0.532 nan 8.270 nan 0.000 0.420 208 T N 1.890 116.395 114.554 -0.081 0.000 2.788 208 T HA -0.125 4.225 4.350 -0.001 0.000 0.268 208 T C 1.886 176.557 174.700 -0.049 0.000 1.044 208 T CA 0.989 63.020 62.100 -0.116 0.000 1.139 208 T CB -0.256 68.507 68.868 -0.175 0.000 0.867 208 T HN 0.072 nan 8.240 nan 0.000 0.454 209 L N 0.594 121.803 121.223 -0.023 0.000 2.156 209 L HA 0.196 4.536 4.340 -0.001 0.000 0.208 209 L C 2.033 178.908 176.870 0.009 0.000 1.095 209 L CA 1.321 56.166 54.840 0.007 0.000 0.770 209 L CB -0.532 41.534 42.059 0.012 0.000 0.914 209 L HN 0.240 nan 8.230 nan 0.000 0.439 210 L N -0.911 120.309 121.223 -0.006 0.000 2.156 210 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 210 L C 2.319 179.188 176.870 -0.002 0.000 1.095 210 L CA 0.910 55.747 54.840 -0.005 0.000 0.770 210 L CB -0.660 41.391 42.059 -0.013 0.000 0.914 210 L HN 0.315 nan 8.230 nan 0.000 0.439 211 A N -0.014 122.802 122.820 -0.005 0.000 2.251 211 A HA 0.351 4.671 4.320 -0.001 0.000 0.209 211 A C 1.227 178.821 177.584 0.017 0.000 1.187 211 A CA 0.328 52.367 52.037 0.002 0.000 0.823 211 A CB -0.364 18.633 19.000 -0.006 0.000 0.846 211 A HN 0.245 nan 8.150 nan 0.000 0.486 212 A N 0.081 122.913 122.820 0.020 0.000 2.450 212 A HA 0.349 4.668 4.320 -0.001 0.000 0.255 212 A C 0.938 178.503 177.584 -0.033 0.000 1.096 212 A CA 0.267 52.312 52.037 0.014 0.000 0.778 212 A CB 0.236 19.250 19.000 0.024 0.000 1.031 212 A HN 0.537 nan 8.150 nan 0.000 0.494 213 E N 1.681 121.833 120.200 -0.079 0.000 2.086 213 E HA -0.027 4.323 4.350 -0.001 0.000 0.190 213 E C 0.361 176.783 176.600 -0.297 0.000 0.975 213 E CA 0.626 56.955 56.400 -0.118 0.000 0.813 213 E CB 0.100 29.739 29.700 -0.100 0.000 0.768 213 E HN 0.701 nan 8.360 nan 0.000 0.457 214 R N 1.512 121.694 120.500 -0.531 0.000 2.868 214 R HA 0.296 4.636 4.340 -0.001 0.000 0.289 214 R C -2.479 173.382 176.300 -0.731 0.000 1.443 214 R CA -1.599 53.703 56.100 -1.329 0.000 1.651 214 R CB 1.459 30.852 30.300 -1.511 0.000 1.242 214 R HN 0.167 nan 8.270 nan 0.000 0.621 215 P HA 0.292 nan 4.420 nan 0.000 0.279 215 P C -0.631 176.882 177.300 0.356 0.000 1.252 215 P CA -0.338 62.832 63.100 0.116 0.000 0.811 215 P CB 1.734 33.506 31.700 0.120 0.000 1.035 216 L N 1.527 122.910 121.223 0.267 0.000 2.434 216 L HA 0.539 4.878 4.340 -0.001 0.000 0.260 216 L C -0.150 176.865 176.870 0.241 0.000 0.983 216 L CA -0.934 54.076 54.840 0.284 0.000 0.820 216 L CB 2.361 44.572 42.059 0.254 0.000 1.361 216 L HN 0.248 nan 8.230 nan 0.000 0.410 217 I N 2.359 123.087 120.570 0.264 0.000 2.362 217 I HA 0.274 4.443 4.170 -0.001 0.000 0.289 217 I C -1.380 174.966 176.117 0.382 0.000 0.994 217 I CA -0.588 60.885 61.300 0.289 0.000 1.158 217 I CB 1.570 39.733 38.000 0.271 0.000 1.315 217 I HN 0.392 nan 8.210 nan 0.000 0.451 218 Y N 9.368 129.798 120.300 0.216 0.000 2.464 218 Y HA 0.397 4.946 4.550 -0.001 0.000 0.326 218 Y C -1.048 174.924 175.900 0.119 0.000 0.969 218 Y CA -1.714 56.480 58.100 0.156 0.000 1.270 218 Y CB 0.395 39.017 38.460 0.270 0.000 1.103 218 Y HN 0.462 nan 8.280 nan 0.000 0.491 219 Y N 2.864 123.314 120.300 0.249 0.000 2.534 219 Y HA 0.980 5.529 4.550 -0.001 0.000 0.329 219 Y C 0.098 175.992 175.900 -0.011 0.000 1.154 219 Y CA -1.220 56.899 58.100 0.032 0.000 1.192 219 Y CB 1.123 39.617 38.460 0.056 0.000 1.275 219 Y HN 0.563 nan 8.280 nan 0.000 0.491 220 G N 0.307 109.145 108.800 0.064 0.000 3.175 220 G HA2 0.398 4.358 3.960 -0.001 0.000 0.255 220 G HA3 0.398 4.358 3.960 -0.001 0.000 0.255 220 G C 0.149 175.123 174.900 0.123 0.000 1.352 220 G CA -0.755 44.361 45.100 0.026 0.000 1.037 220 G HN 1.092 nan 8.290 nan 0.000 0.556 221 I N -1.446 119.176 120.570 0.087 0.000 3.083 221 I HA 0.142 4.312 4.170 -0.001 0.000 0.273 221 I C 1.985 178.142 176.117 0.068 0.000 1.297 221 I CA 0.965 62.319 61.300 0.089 0.000 1.452 221 I CB -0.195 37.849 38.000 0.073 0.000 1.078 221 I HN 0.406 nan 8.210 nan 0.000 0.484 222 G N 1.352 110.177 108.800 0.042 0.000 2.443 222 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.219 222 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.219 222 G C 1.475 176.384 174.900 0.015 0.000 1.131 222 G CA 0.529 45.637 45.100 0.015 0.000 0.775 222 G HN 0.597 nan 8.290 nan 0.000 0.547 223 A N -0.050 122.791 122.820 0.035 0.000 2.359 223 A HA 0.390 4.710 4.320 -0.001 0.000 0.240 223 A C 1.929 179.504 177.584 -0.014 0.000 1.306 223 A CA 0.109 52.145 52.037 -0.002 0.000 0.898 223 A CB -0.356 18.634 19.000 -0.017 0.000 0.956 223 A HN 0.314 nan 8.150 nan 0.000 0.497 224 R N 0.302 120.813 120.500 0.017 0.000 2.139 224 R HA -0.131 4.208 4.340 -0.001 0.000 0.243 224 R C 1.183 177.476 176.300 -0.012 0.000 1.145 224 R CA 1.531 57.641 56.100 0.015 0.000 0.976 224 R CB 0.028 30.346 30.300 0.030 0.000 0.866 224 R HN 0.316 nan 8.270 nan 0.000 0.449 225 K N -1.221 119.167 120.400 -0.020 0.000 2.404 225 K HA 0.117 4.437 4.320 -0.001 0.000 0.194 225 K C 0.583 177.151 176.600 -0.052 0.000 1.023 225 K CA 0.441 56.712 56.287 -0.027 0.000 1.094 225 K CB 1.226 33.717 32.500 -0.015 0.000 0.841 225 K HN 0.074 nan 8.250 nan 0.000 0.523 226 A N 0.893 123.665 122.820 -0.080 0.000 2.577 226 A HA 0.294 4.614 4.320 -0.001 0.000 0.280 226 A C 1.654 179.142 177.584 -0.160 0.000 1.331 226 A CA 0.115 52.086 52.037 -0.109 0.000 0.935 226 A CB -0.332 18.601 19.000 -0.113 0.000 1.082 226 A HN 0.242 nan 8.150 nan 0.000 0.525 227 G N 0.980 109.692 108.800 -0.146 0.000 2.491 227 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.218 227 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.218 227 G C 1.603 176.402 174.900 -0.169 0.000 1.180 227 G CA 1.238 46.236 45.100 -0.171 0.000 0.774 227 G HN 0.564 nan 8.290 nan 0.000 0.562 228 K N 0.163 120.491 120.400 -0.120 0.000 2.026 228 K HA -0.084 4.236 4.320 -0.001 0.000 0.208 228 K C 2.548 179.081 176.600 -0.112 0.000 1.048 228 K CA 1.479 57.703 56.287 -0.105 0.000 0.929 228 K CB -0.138 32.319 32.500 -0.071 0.000 0.713 228 K HN 0.213 nan 8.250 nan 0.000 0.439 229 E N 1.125 121.262 120.200 -0.106 0.000 2.051 229 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 229 E C 1.985 178.516 176.600 -0.115 0.000 0.991 229 E CA 0.926 57.269 56.400 -0.094 0.000 0.799 229 E CB -0.253 29.398 29.700 -0.082 0.000 0.748 229 E HN 0.162 nan 8.360 nan 0.000 0.449 230 L N 0.593 121.714 121.223 -0.170 0.000 2.012 230 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 230 L C 2.603 179.370 176.870 -0.172 0.000 1.073 230 L CA 1.690 56.411 54.840 -0.199 0.000 0.748 230 L CB -0.365 41.456 42.059 -0.396 0.000 0.891 230 L HN 0.209 nan 8.230 nan 0.000 0.431 231 E N -0.375 119.679 120.200 -0.244 0.000 2.047 231 E HA -0.258 4.092 4.350 -0.001 0.000 0.191 231 E C 2.240 178.735 176.600 -0.176 0.000 0.987 231 E CA 1.205 57.397 56.400 -0.347 0.000 0.799 231 E CB 0.053 29.505 29.700 -0.412 0.000 0.752 231 E HN 0.488 nan 8.360 nan 0.000 0.449 232 Q N 0.016 119.750 119.800 -0.110 0.000 2.084 232 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 232 Q C 2.271 178.250 176.000 -0.035 0.000 0.978 232 Q CA 1.075 56.846 55.803 -0.053 0.000 0.844 232 Q CB -0.061 28.648 28.738 -0.049 0.000 0.898 232 Q HN 0.230 nan 8.270 nan 0.000 0.426 233 L N 0.186 121.385 121.223 -0.039 0.000 2.083 233 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 233 L C 2.321 179.193 176.870 0.004 0.000 1.083 233 L CA 1.715 56.542 54.840 -0.021 0.000 0.752 233 L CB -0.822 41.227 42.059 -0.018 0.000 0.899 233 L HN 0.109 nan 8.230 nan 0.000 0.433 234 S N 0.025 115.752 115.700 0.045 0.000 2.354 234 S HA -0.268 4.202 4.470 -0.001 0.000 0.219 234 S C 1.977 176.621 174.600 0.073 0.000 1.035 234 S CA 1.993 60.287 58.200 0.156 0.000 1.037 234 S CB -0.280 63.078 63.200 0.264 0.000 0.956 234 S HN 0.682 nan 8.310 nan 0.000 0.428 235 K N -0.497 119.967 120.400 0.106 0.000 2.366 235 K HA 0.069 4.389 4.320 -0.001 0.000 0.198 235 K C 1.878 178.379 176.600 -0.165 0.000 1.044 235 K CA 1.294 57.569 56.287 -0.020 0.000 0.973 235 K CB -0.513 32.108 32.500 0.202 0.000 0.767 235 K HN 0.273 nan 8.250 nan 0.000 0.475 236 T N 2.018 116.509 114.554 -0.105 0.000 2.809 236 T HA 0.066 4.416 4.350 -0.001 0.000 0.260 236 T C 1.609 176.215 174.700 -0.156 0.000 1.039 236 T CA 0.832 62.867 62.100 -0.109 0.000 1.141 236 T CB -0.025 68.806 68.868 -0.062 0.000 0.869 236 T HN 0.136 nan 8.240 nan 0.000 0.437 237 L N 0.253 121.389 121.223 -0.145 0.000 2.592 237 L HA 0.219 4.559 4.340 -0.001 0.000 0.227 237 L C 0.061 176.802 176.870 -0.215 0.000 1.127 237 L CA -0.052 54.707 54.840 -0.135 0.000 0.884 237 L CB -0.023 42.003 42.059 -0.055 0.000 1.065 237 L HN 0.076 nan 8.230 nan 0.000 0.457 238 K N 1.002 121.125 120.400 -0.463 0.000 3.239 238 K HA -0.124 4.196 4.320 -0.001 0.000 0.270 238 K C -0.638 175.900 176.600 -0.104 0.000 1.049 238 K CA 0.791 56.575 56.287 -0.839 0.000 0.769 238 K CB -2.211 29.846 32.500 -0.740 0.000 1.305 238 K HN 0.316 nan 8.250 nan 0.000 0.469 239 I N 1.192 121.818 120.570 0.093 0.000 2.389 239 I HA 0.218 4.387 4.170 -0.001 0.000 0.288 239 I C -2.045 174.350 176.117 0.463 0.000 0.999 239 I CA -2.444 59.047 61.300 0.318 0.000 1.129 239 I CB 1.821 39.950 38.000 0.214 0.000 1.288 239 I HN -0.159 nan 8.210 nan 0.000 0.444 240 P HA 0.126 nan 4.420 nan 0.000 0.267 240 P C -0.953 176.507 177.300 0.266 0.000 1.200 240 P CA 0.083 63.327 63.100 0.240 0.000 0.772 240 P CB 0.535 32.218 31.700 -0.028 0.000 0.855 241 L N 3.480 124.876 121.223 0.288 0.000 2.322 241 L HA 0.626 4.966 4.340 -0.001 0.000 0.281 241 L C 0.298 177.308 176.870 0.234 0.000 1.014 241 L CA -0.578 54.486 54.840 0.373 0.000 0.815 241 L CB 1.101 43.492 42.059 0.553 0.000 1.247 241 L HN 0.394 nan 8.230 nan 0.000 0.421 242 M N 1.632 121.306 119.600 0.123 0.000 2.593 242 M HA 0.816 5.296 4.480 -0.001 0.000 0.290 242 M C -0.785 175.398 176.300 -0.196 0.000 1.244 242 M CA -0.469 54.753 55.300 -0.130 0.000 0.857 242 M CB 2.468 34.876 32.600 -0.320 0.000 1.738 242 M HN 0.473 nan 8.290 nan 0.000 0.461 243 S N -0.351 115.243 115.700 -0.176 0.000 2.806 243 S HA 0.817 5.287 4.470 -0.001 0.000 0.306 243 S C -0.223 174.469 174.600 0.153 0.000 1.167 243 S CA -0.214 57.853 58.200 -0.223 0.000 0.847 243 S CB 1.501 64.444 63.200 -0.428 0.000 1.216 243 S HN 0.969 nan 8.310 nan 0.000 0.532 244 T N -1.001 113.631 114.554 0.130 0.000 2.849 244 T HA 0.317 4.666 4.350 -0.001 0.000 0.284 244 T C 0.872 175.731 174.700 0.264 0.000 1.004 244 T CA -0.325 61.921 62.100 0.243 0.000 1.021 244 T CB 0.207 69.192 68.868 0.195 0.000 1.013 244 T HN 0.728 nan 8.240 nan 0.000 0.527 245 Y N 3.200 123.637 120.300 0.229 0.000 2.053 245 Y HA -0.012 4.537 4.550 -0.001 0.000 0.277 245 Y C -0.755 175.302 175.900 0.261 0.000 1.159 245 Y CA 1.620 59.852 58.100 0.221 0.000 1.125 245 Y CB -1.853 36.737 38.460 0.216 0.000 0.969 245 Y HN 0.525 nan 8.280 nan 0.000 0.492 246 P HA -0.097 nan 4.420 nan 0.000 0.225 246 P C 0.895 178.170 177.300 -0.042 0.000 1.148 246 P CA 1.975 64.924 63.100 -0.252 0.000 0.779 246 P CB -0.346 31.244 31.700 -0.183 0.000 0.780 247 A N -0.262 122.604 122.820 0.076 0.000 2.238 247 A HA -0.010 4.310 4.320 -0.001 0.000 0.208 247 A C 1.252 178.956 177.584 0.200 0.000 1.177 247 A CA -0.154 51.972 52.037 0.149 0.000 0.804 247 A CB -0.947 18.153 19.000 0.166 0.000 0.823 247 A HN 0.111 nan 8.150 nan 0.000 0.482 248 K N -0.088 120.438 120.400 0.209 0.000 2.489 248 K HA 0.244 4.563 4.320 -0.001 0.000 0.278 248 K C 1.221 177.889 176.600 0.115 0.000 1.000 248 K CA 1.008 57.389 56.287 0.156 0.000 1.012 248 K CB -0.058 32.512 32.500 0.117 0.000 0.903 248 K HN 0.636 nan 8.250 nan 0.000 0.485 249 G N 3.863 112.645 108.800 -0.030 0.000 2.284 249 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.230 249 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.230 249 G C 0.961 175.862 174.900 0.001 0.000 1.021 249 G CA 0.270 45.369 45.100 -0.003 0.000 0.619 249 G HN 0.643 nan 8.290 nan 0.000 0.510 250 I N 0.681 121.278 120.570 0.045 0.000 2.208 250 I HA -0.046 4.123 4.170 -0.001 0.000 0.245 250 I C 1.172 177.253 176.117 -0.061 0.000 1.097 250 I CA 1.350 62.661 61.300 0.019 0.000 1.363 250 I CB -0.225 37.828 38.000 0.088 0.000 1.051 250 I HN 0.128 nan 8.210 nan 0.000 0.413 251 V N 1.247 121.111 119.914 -0.084 0.000 2.483 251 V HA 0.494 4.614 4.120 -0.001 0.000 0.295 251 V C 0.346 176.336 176.094 -0.173 0.000 1.035 251 V CA -1.107 61.104 62.300 -0.149 0.000 0.896 251 V CB 1.460 33.194 31.823 -0.149 0.000 0.986 251 V HN 0.258 nan 8.190 nan 0.000 0.447 252 A N 2.872 125.632 122.820 -0.100 0.000 2.531 252 A HA 0.068 4.388 4.320 -0.001 0.000 0.236 252 A C 1.195 178.735 177.584 -0.073 0.000 1.062 252 A CA 0.037 52.037 52.037 -0.061 0.000 0.760 252 A CB -0.075 18.929 19.000 0.006 0.000 0.995 252 A HN 0.935 nan 8.150 nan 0.000 0.501 253 D N 1.263 121.614 120.400 -0.081 0.000 2.218 253 D HA -0.164 4.476 4.640 -0.001 0.000 0.204 253 D C 1.910 178.263 176.300 0.090 0.000 0.976 253 D CA 1.645 55.633 54.000 -0.020 0.000 0.853 253 D CB 0.029 40.833 40.800 0.006 0.000 0.939 253 D HN 0.818 nan 8.370 nan 0.000 0.481 254 R N 0.112 120.652 120.500 0.067 0.000 2.323 254 R HA -0.084 4.256 4.340 -0.001 0.000 0.198 254 R C 0.671 177.022 176.300 0.086 0.000 0.988 254 R CA -0.204 55.934 56.100 0.063 0.000 1.041 254 R CB -0.676 29.647 30.300 0.037 0.000 0.926 254 R HN 0.054 nan 8.270 nan 0.000 0.476 255 Y N 3.442 123.765 120.300 0.038 0.000 2.650 255 Y HA 0.127 4.676 4.550 -0.001 0.000 0.331 255 Y C -1.701 174.235 175.900 0.060 0.000 1.165 255 Y CA -2.701 55.431 58.100 0.053 0.000 1.473 255 Y CB 1.147 39.646 38.460 0.065 0.000 1.224 255 Y HN -0.046 nan 8.280 nan 0.000 0.533 256 P HA -0.083 nan 4.420 nan 0.000 0.225 256 P C 0.157 177.120 177.300 -0.562 0.000 1.148 256 P CA 1.885 64.691 63.100 -0.489 0.000 0.779 256 P CB 0.294 31.735 31.700 -0.431 0.000 0.780 257 A N -2.366 119.987 122.820 -0.777 0.000 2.500 257 A HA 0.138 4.457 4.320 -0.001 0.000 0.267 257 A C -0.117 177.463 177.584 -0.007 0.000 1.290 257 A CA -0.325 51.443 52.037 -0.448 0.000 0.928 257 A CB -0.965 17.788 19.000 -0.412 0.000 1.066 257 A HN 0.055 nan 8.150 nan 0.000 0.516 258 Y N 1.028 121.328 120.300 0.001 0.000 2.436 258 Y HA 0.394 4.943 4.550 -0.001 0.000 0.343 258 Y C 0.672 176.574 175.900 0.003 0.000 1.008 258 Y CA -0.897 57.290 58.100 0.144 0.000 1.241 258 Y CB 0.491 39.081 38.460 0.217 0.000 1.153 258 Y HN 0.186 nan 8.280 nan 0.000 0.521 259 L N 5.651 126.587 121.223 -0.478 0.000 2.446 259 L HA 0.283 4.623 4.340 -0.001 0.000 0.219 259 L C 1.340 177.820 176.870 -0.650 0.000 1.116 259 L CA 0.556 55.101 54.840 -0.491 0.000 0.844 259 L CB -0.790 41.044 42.059 -0.374 0.000 0.970 259 L HN 0.995 nan 8.230 nan 0.000 0.457 260 G N 0.212 108.322 108.800 -1.150 0.000 2.582 260 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.222 260 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.222 260 G C -0.315 174.346 174.900 -0.399 0.000 1.311 260 G CA -0.314 44.332 45.100 -0.755 0.000 0.915 260 G HN 0.298 nan 8.290 nan 0.000 0.528 261 S N -0.439 115.176 115.700 -0.143 0.000 2.713 261 S HA 0.926 5.395 4.470 -0.001 0.000 0.283 261 S C 0.407 174.924 174.600 -0.137 0.000 1.161 261 S CA 0.560 58.724 58.200 -0.061 0.000 0.999 261 S CB 1.796 65.077 63.200 0.135 0.000 1.039 261 S HN 2.403 nan 8.310 nan 0.000 0.548 262 A N 0.803 123.541 122.820 -0.136 0.000 2.311 262 A HA 0.808 5.128 4.320 -0.001 0.000 0.334 262 A C 0.589 178.165 177.584 -0.013 0.000 1.139 262 A CA -0.481 51.464 52.037 -0.154 0.000 0.830 262 A CB 0.265 19.095 19.000 -0.283 0.000 1.234 262 A HN 1.120 nan 8.150 nan 0.000 0.483 263 N N -0.914 117.739 118.700 -0.078 0.000 1.657 263 N HA -0.181 4.559 4.740 -0.001 0.000 0.211 263 N C 1.157 176.555 175.510 -0.187 0.000 0.854 263 N CA 1.305 54.260 53.050 -0.159 0.000 1.288 263 N CB -0.900 37.383 38.487 -0.341 0.000 1.664 263 N HN 0.749 nan 8.380 nan 0.000 0.395 264 R N 0.810 121.171 120.500 -0.232 0.000 2.087 264 R HA 0.308 4.647 4.340 -0.001 0.000 0.213 264 R C 0.326 176.594 176.300 -0.053 0.000 1.137 264 R CA 1.071 57.090 56.100 -0.135 0.000 1.022 264 R CB 0.046 30.263 30.300 -0.138 0.000 0.920 264 R HN 0.223 nan 8.270 nan 0.000 0.451 265 V N 2.484 122.379 119.914 -0.033 0.000 2.287 265 V HA 0.400 4.520 4.120 -0.001 0.000 0.246 265 V C -0.107 175.971 176.094 -0.025 0.000 1.165 265 V CA 0.206 62.473 62.300 -0.055 0.000 1.088 265 V CB 0.065 31.767 31.823 -0.203 0.000 1.242 265 V HN 0.456 nan 8.190 nan 0.000 0.497 266 A N 4.760 127.568 122.820 -0.020 0.000 2.557 266 A HA 0.857 5.177 4.320 -0.001 0.000 0.292 266 A C -1.184 176.372 177.584 -0.046 0.000 1.139 266 A CA -0.785 51.226 52.037 -0.043 0.000 0.665 266 A CB 1.775 20.715 19.000 -0.100 0.000 1.285 266 A HN 0.499 nan 8.150 nan 0.000 0.433 267 Q N -0.018 119.684 119.800 -0.163 0.000 2.397 267 Q HA 0.337 4.676 4.340 -0.001 0.000 0.275 267 Q C 0.283 175.882 176.000 -0.669 0.000 1.090 267 Q CA -0.753 54.869 55.803 -0.302 0.000 0.809 267 Q CB 2.593 31.241 28.738 -0.150 0.000 1.362 267 Q HN 0.811 nan 8.270 nan 0.000 0.431 268 K N 1.918 121.548 120.400 -1.284 0.000 2.044 268 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 268 K C -1.069 175.097 176.600 -0.723 0.000 1.049 268 K CA 1.959 57.633 56.287 -1.023 0.000 0.927 268 K CB -0.591 31.117 32.500 -1.320 0.000 0.713 268 K HN 0.318 nan 8.250 nan 0.000 0.443 269 P HA -0.111 nan 4.420 nan 0.000 0.217 269 P C 0.833 177.898 177.300 -0.392 0.000 1.150 269 P CA 1.792 64.605 63.100 -0.478 0.000 0.832 269 P CB -0.015 31.418 31.700 -0.445 0.000 0.787 270 A N -0.483 122.087 122.820 -0.417 0.000 1.898 270 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 270 A C 2.141 179.539 177.584 -0.310 0.000 1.181 270 A CA 1.814 53.633 52.037 -0.364 0.000 0.620 270 A CB -1.377 17.396 19.000 -0.379 0.000 0.819 270 A HN 0.113 nan 8.150 nan 0.000 0.442 271 N N 0.022 118.541 118.700 -0.301 0.000 2.106 271 N HA -0.115 4.625 4.740 -0.001 0.000 0.188 271 N C 1.696 177.093 175.510 -0.189 0.000 1.029 271 N CA 1.665 54.572 53.050 -0.239 0.000 0.848 271 N CB -0.420 37.925 38.487 -0.236 0.000 1.007 271 N HN 0.664 nan 8.380 nan 0.000 0.423 272 E N 0.564 120.646 120.200 -0.198 0.000 2.051 272 E HA -0.070 4.280 4.350 -0.001 0.000 0.192 272 E C 1.954 178.517 176.600 -0.061 0.000 0.991 272 E CA 1.114 57.435 56.400 -0.130 0.000 0.799 272 E CB -0.117 29.497 29.700 -0.143 0.000 0.748 272 E HN 0.342 nan 8.360 nan 0.000 0.449 273 A N 1.422 124.191 122.820 -0.085 0.000 1.877 273 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 273 A C 2.194 179.859 177.584 0.135 0.000 1.186 273 A CA 1.134 53.198 52.037 0.045 0.000 0.620 273 A CB -0.631 18.306 19.000 -0.105 0.000 0.822 273 A HN 0.235 nan 8.150 nan 0.000 0.443 274 L N -0.189 121.025 121.223 -0.015 0.000 2.129 274 L HA -0.128 4.211 4.340 -0.001 0.000 0.212 274 L C 2.512 179.388 176.870 0.010 0.000 1.087 274 L CA 2.183 57.010 54.840 -0.022 0.000 0.757 274 L CB -0.656 41.307 42.059 -0.160 0.000 0.896 274 L HN 0.349 nan 8.230 nan 0.000 0.434 275 A N -1.870 120.947 122.820 -0.005 0.000 2.119 275 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 275 A C 1.998 179.595 177.584 0.022 0.000 1.152 275 A CA 0.929 52.963 52.037 -0.006 0.000 0.708 275 A CB -0.237 18.746 19.000 -0.028 0.000 0.805 275 A HN 0.569 nan 8.150 nan 0.000 0.460 276 Q N -0.440 119.406 119.800 0.076 0.000 2.391 276 Q HA 0.297 4.637 4.340 -0.001 0.000 0.211 276 Q C 0.955 176.908 176.000 -0.079 0.000 0.908 276 Q CA 0.692 56.529 55.803 0.057 0.000 0.920 276 Q CB -0.506 28.368 28.738 0.226 0.000 1.056 276 Q HN 0.545 nan 8.270 nan 0.000 0.523 277 A N 2.861 125.678 122.820 -0.005 0.000 2.511 277 A HA 0.070 4.390 4.320 -0.001 0.000 0.242 277 A C 0.779 178.302 177.584 -0.101 0.000 1.069 277 A CA 0.334 52.306 52.037 -0.107 0.000 0.763 277 A CB 0.177 19.241 19.000 0.106 0.000 1.001 277 A HN 0.260 nan 8.150 nan 0.000 0.498 278 D N 0.987 121.287 120.400 -0.167 0.000 2.338 278 D HA 0.059 4.699 4.640 -0.001 0.000 0.208 278 D C 0.006 176.300 176.300 -0.010 0.000 0.997 278 D CA 0.490 54.430 54.000 -0.099 0.000 0.880 278 D CB 0.010 40.731 40.800 -0.131 0.000 0.980 278 D HN 0.187 nan 8.370 nan 0.000 0.509 279 V N 1.389 121.322 119.914 0.032 0.000 2.577 279 V HA 0.354 4.474 4.120 -0.001 0.000 0.303 279 V C -0.591 175.564 176.094 0.101 0.000 1.042 279 V CA -0.923 61.445 62.300 0.113 0.000 0.872 279 V CB 2.462 34.369 31.823 0.140 0.000 0.998 279 V HN -0.064 nan 8.190 nan 0.000 0.423 280 V N 5.923 125.889 119.914 0.086 0.000 2.417 280 V HA 0.456 4.576 4.120 -0.001 0.000 0.291 280 V C -0.414 175.632 176.094 -0.079 0.000 1.024 280 V CA -0.660 61.675 62.300 0.059 0.000 0.861 280 V CB 1.794 33.674 31.823 0.095 0.000 0.985 280 V HN 0.650 nan 8.190 nan 0.000 0.436 281 L N 6.070 127.307 121.223 0.023 0.000 2.255 281 L HA 0.519 4.858 4.340 -0.001 0.000 0.289 281 L C -0.857 176.050 176.870 0.061 0.000 1.046 281 L CA 0.017 54.852 54.840 -0.008 0.000 0.816 281 L CB 0.574 42.665 42.059 0.054 0.000 1.197 281 L HN 0.527 nan 8.230 nan 0.000 0.427 282 F N 6.184 125.952 119.950 -0.304 0.000 2.350 282 F HA 0.532 5.058 4.527 -0.001 0.000 0.365 282 F C -0.593 175.144 175.800 -0.104 0.000 1.122 282 F CA -0.609 57.248 58.000 -0.239 0.000 1.139 282 F CB 0.902 39.586 39.000 -0.527 0.000 1.220 282 F HN 0.184 nan 8.300 nan 0.000 0.499 283 V N 5.117 124.963 119.914 -0.113 0.000 2.407 283 V HA 0.492 4.611 4.120 -0.001 0.000 0.291 283 V C 0.507 176.519 176.094 -0.137 0.000 1.018 283 V CA -0.651 61.602 62.300 -0.078 0.000 0.842 283 V CB 1.003 32.842 31.823 0.028 0.000 0.996 283 V HN 0.970 nan 8.190 nan 0.000 0.426 284 G N 3.561 112.273 108.800 -0.147 0.000 2.393 284 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.299 284 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.299 284 G C -0.038 174.750 174.900 -0.188 0.000 0.990 284 G CA 0.661 45.689 45.100 -0.120 0.000 1.118 284 G HN 0.699 nan 8.290 nan 0.000 0.513 285 N N -0.328 118.130 118.700 -0.404 0.000 2.265 285 N HA 0.565 5.305 4.740 -0.001 0.000 0.300 285 N C -0.427 174.861 175.510 -0.370 0.000 1.148 285 N CA -0.952 51.770 53.050 -0.547 0.000 0.772 285 N CB 1.768 39.511 38.487 -1.240 0.000 1.434 285 N HN 0.115 nan 8.380 nan 0.000 0.481 286 N N 1.569 120.220 118.700 -0.081 0.000 2.604 286 N HA 0.038 4.778 4.740 -0.001 0.000 0.284 286 N C -1.639 174.017 175.510 0.243 0.000 1.716 286 N CA -0.394 52.734 53.050 0.130 0.000 0.859 286 N CB -0.349 38.194 38.487 0.094 0.000 1.403 286 N HN 0.442 nan 8.380 nan 0.000 0.501 287 Y N 2.471 122.887 120.300 0.194 0.000 2.846 287 Y HA 0.061 4.611 4.550 -0.001 0.000 0.352 287 Y C -1.218 174.811 175.900 0.215 0.000 1.298 287 Y CA -0.933 57.325 58.100 0.263 0.000 1.634 287 Y CB 0.740 39.426 38.460 0.378 0.000 1.214 287 Y HN 0.312 nan 8.280 nan 0.000 0.529 288 P HA -0.157 nan 4.420 nan 0.000 0.223 288 P C 0.753 177.705 177.300 -0.580 0.000 1.151 288 P CA 1.339 64.188 63.100 -0.417 0.000 0.787 288 P CB -0.040 31.343 31.700 -0.529 0.000 0.788 289 F N 0.128 119.727 119.950 -0.586 0.000 2.797 289 F HA 0.281 4.808 4.527 -0.001 0.000 0.302 289 F C 2.509 178.122 175.800 -0.311 0.000 1.130 289 F CA 0.225 57.929 58.000 -0.493 0.000 1.387 289 F CB -1.166 37.471 39.000 -0.605 0.000 1.107 289 F HN -0.072 nan 8.300 nan 0.000 0.577 290 A N 0.776 123.577 122.820 -0.032 0.000 1.884 290 A HA -0.278 4.041 4.320 -0.001 0.000 0.219 290 A C 2.077 179.744 177.584 0.137 0.000 1.197 290 A CA 2.394 54.566 52.037 0.225 0.000 0.637 290 A CB -0.686 18.602 19.000 0.480 0.000 0.827 290 A HN 0.374 nan 8.150 nan 0.000 0.450 291 E N -0.498 119.769 120.200 0.111 0.000 2.033 291 E HA -0.071 4.279 4.350 -0.001 0.000 0.189 291 E C 2.068 178.702 176.600 0.057 0.000 0.979 291 E CA 1.443 57.894 56.400 0.085 0.000 0.802 291 E CB -0.531 29.207 29.700 0.064 0.000 0.763 291 E HN 0.607 nan 8.360 nan 0.000 0.449 292 V N -0.052 119.890 119.914 0.046 0.000 2.720 292 V HA -0.154 3.966 4.120 -0.001 0.000 0.256 292 V C 1.836 177.964 176.094 0.055 0.000 1.082 292 V CA 1.763 64.092 62.300 0.049 0.000 1.101 292 V CB -0.670 31.184 31.823 0.053 0.000 0.693 292 V HN 0.283 nan 8.190 nan 0.000 0.479 293 S N -1.235 114.503 115.700 0.063 0.000 2.540 293 S HA 0.237 4.706 4.470 -0.001 0.000 0.218 293 S C 0.828 175.431 174.600 0.005 0.000 0.977 293 S CA 0.067 58.288 58.200 0.035 0.000 0.918 293 S CB -0.379 62.847 63.200 0.043 0.000 0.806 293 S HN 0.679 nan 8.310 nan 0.000 0.496 294 K N 0.631 121.039 120.400 0.013 0.000 3.035 294 K HA -0.244 4.075 4.320 -0.001 0.000 0.262 294 K C 1.192 177.757 176.600 -0.057 0.000 1.024 294 K CA 0.375 56.665 56.287 0.005 0.000 0.748 294 K CB -2.140 30.365 32.500 0.009 0.000 1.247 294 K HN 0.549 nan 8.250 nan 0.000 0.482 295 A N 0.262 122.997 122.820 -0.142 0.000 1.948 295 A HA -0.141 4.179 4.320 -0.001 0.000 0.220 295 A C 1.299 178.604 177.584 -0.466 0.000 1.177 295 A CA 1.576 53.410 52.037 -0.338 0.000 0.636 295 A CB -0.317 18.392 19.000 -0.485 0.000 0.815 295 A HN 0.371 nan 8.150 nan 0.000 0.449 296 F N 0.123 120.025 119.950 -0.080 0.000 2.668 296 F HA 0.177 4.704 4.527 -0.001 0.000 0.297 296 F C 1.766 177.453 175.800 -0.189 0.000 1.124 296 F CA 0.167 58.020 58.000 -0.246 0.000 1.353 296 F CB -0.069 38.486 39.000 -0.742 0.000 0.992 296 F HN 0.371 nan 8.300 nan 0.000 0.524 297 K N -0.460 119.964 120.400 0.040 0.000 2.211 297 K HA -0.146 4.173 4.320 -0.001 0.000 0.204 297 K C 0.737 177.368 176.600 0.051 0.000 1.047 297 K CA 1.701 58.028 56.287 0.066 0.000 0.935 297 K CB -0.165 32.354 32.500 0.032 0.000 0.728 297 K HN 0.098 nan 8.250 nan 0.000 0.452 298 N N 0.685 119.404 118.700 0.032 0.000 2.236 298 N HA 0.028 4.767 4.740 -0.001 0.000 0.196 298 N C -0.562 174.956 175.510 0.013 0.000 1.114 298 N CA 0.219 53.277 53.050 0.013 0.000 0.859 298 N CB 0.726 39.211 38.487 -0.003 0.000 0.982 298 N HN 0.145 nan 8.380 nan 0.000 0.493 299 T N 0.483 115.068 114.554 0.051 0.000 2.901 299 T HA 0.107 4.457 4.350 -0.001 0.000 0.301 299 T C 1.445 176.147 174.700 0.004 0.000 1.012 299 T CA -0.086 62.051 62.100 0.061 0.000 1.135 299 T CB 2.191 71.141 68.868 0.135 0.000 0.936 299 T HN 0.142 nan 8.240 nan 0.000 0.539 300 R N 1.473 121.913 120.500 -0.100 0.000 2.087 300 R HA 0.105 4.445 4.340 -0.001 0.000 0.216 300 R C -0.434 175.577 176.300 -0.482 0.000 1.114 300 R CA 0.683 56.581 56.100 -0.338 0.000 1.002 300 R CB 0.326 30.349 30.300 -0.462 0.000 0.903 300 R HN 0.596 nan 8.270 nan 0.000 0.445 301 Y N -1.145 119.214 120.300 0.099 0.000 2.446 301 Y HA 0.405 4.954 4.550 -0.001 0.000 0.345 301 Y C -1.207 174.795 175.900 0.169 0.000 0.984 301 Y CA -1.333 56.836 58.100 0.115 0.000 1.058 301 Y CB 1.686 40.182 38.460 0.059 0.000 1.220 301 Y HN -0.091 nan 8.280 nan 0.000 0.455 302 F N 4.233 124.288 119.950 0.174 0.000 2.539 302 F HA 0.679 5.206 4.527 -0.001 0.000 0.328 302 F C -1.683 174.159 175.800 0.070 0.000 1.148 302 F CA -0.877 57.154 58.000 0.051 0.000 0.940 302 F CB 0.730 39.749 39.000 0.031 0.000 1.194 302 F HN 0.311 nan 8.300 nan 0.000 0.438 303 L N 5.337 126.416 121.223 -0.241 0.000 2.342 303 L HA 0.641 4.981 4.340 -0.001 0.000 0.271 303 L C -0.848 175.907 176.870 -0.192 0.000 1.008 303 L CA -0.810 53.965 54.840 -0.109 0.000 0.818 303 L CB 2.090 44.113 42.059 -0.060 0.000 1.296 303 L HN 0.588 nan 8.230 nan 0.000 0.427 304 Q N 2.427 122.205 119.800 -0.037 0.000 2.377 304 Q HA 0.648 4.988 4.340 -0.001 0.000 0.279 304 Q C -1.918 174.103 176.000 0.034 0.000 1.049 304 Q CA -0.603 55.217 55.803 0.027 0.000 0.825 304 Q CB 3.130 31.970 28.738 0.171 0.000 1.401 304 Q HN 0.630 nan 8.270 nan 0.000 0.404 305 I N 2.681 123.263 120.570 0.021 0.000 2.478 305 I HA 0.467 4.636 4.170 -0.001 0.000 0.287 305 I C -1.137 174.980 176.117 -0.001 0.000 1.042 305 I CA -0.510 60.795 61.300 0.008 0.000 1.067 305 I CB 1.967 39.964 38.000 -0.005 0.000 1.233 305 I HN 0.557 nan 8.210 nan 0.000 0.431 306 D N 4.346 124.751 120.400 0.008 0.000 2.655 306 D HA 0.272 4.911 4.640 -0.001 0.000 0.229 306 D C -0.080 176.220 176.300 0.001 0.000 1.229 306 D CA -0.474 53.525 54.000 -0.002 0.000 0.807 306 D CB 3.102 43.910 40.800 0.014 0.000 1.514 306 D HN 0.434 nan 8.370 nan 0.000 0.444 307 I N 1.383 121.949 120.570 -0.008 0.000 3.251 307 I HA 0.028 4.198 4.170 -0.001 0.000 0.277 307 I C 0.001 176.117 176.117 -0.001 0.000 1.268 307 I CA 0.594 61.890 61.300 -0.006 0.000 1.449 307 I CB 0.162 38.155 38.000 -0.011 0.000 1.083 307 I HN 0.205 nan 8.210 nan 0.000 0.464 308 D N -0.480 119.920 120.400 0.000 0.000 2.381 308 D HA 0.279 4.919 4.640 -0.001 0.000 0.235 308 D C -1.890 174.421 176.300 0.019 0.000 1.068 308 D CA -2.603 51.400 54.000 0.005 0.000 0.832 308 D CB 1.957 42.752 40.800 -0.009 0.000 1.101 308 D HN -0.125 nan 8.370 nan 0.000 0.515 309 P HA -0.103 nan 4.420 nan 0.000 0.216 309 P C 0.887 178.207 177.300 0.033 0.000 1.150 309 P CA 1.274 64.390 63.100 0.027 0.000 0.843 309 P CB 0.216 31.929 31.700 0.022 0.000 0.787 310 A N -0.788 122.050 122.820 0.030 0.000 2.172 310 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 310 A C 1.864 179.477 177.584 0.049 0.000 1.154 310 A CA 1.283 53.340 52.037 0.035 0.000 0.701 310 A CB -0.668 18.349 19.000 0.028 0.000 0.789 310 A HN 0.057 nan 8.150 nan 0.000 0.465 311 K N -0.459 119.974 120.400 0.056 0.000 2.361 311 K HA 0.253 4.572 4.320 -0.001 0.000 0.194 311 K C 0.058 176.727 176.600 0.115 0.000 1.032 311 K CA 0.054 56.393 56.287 0.086 0.000 1.048 311 K CB -0.004 32.543 32.500 0.077 0.000 0.842 311 K HN 0.442 nan 8.250 nan 0.000 0.526 312 L N 1.464 122.741 121.223 0.091 0.000 2.385 312 L HA 0.121 4.461 4.340 -0.001 0.000 0.281 312 L C 0.981 177.911 176.870 0.102 0.000 1.106 312 L CA 0.214 55.116 54.840 0.103 0.000 0.856 312 L CB -0.016 42.087 42.059 0.072 0.000 1.186 312 L HN 0.441 nan 8.230 nan 0.000 0.453 313 G N 2.528 111.413 108.800 0.141 0.000 2.136 313 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.242 313 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.242 313 G C 1.061 176.002 174.900 0.068 0.000 0.989 313 G CA 0.574 45.736 45.100 0.103 0.000 0.682 313 G HN 0.739 nan 8.290 nan 0.000 0.522 314 K N -0.173 120.293 120.400 0.110 0.000 2.031 314 K HA 0.004 4.323 4.320 -0.001 0.000 0.205 314 K C 2.382 179.031 176.600 0.081 0.000 1.049 314 K CA 1.015 57.357 56.287 0.092 0.000 0.939 314 K CB -0.136 32.435 32.500 0.118 0.000 0.717 314 K HN 0.231 nan 8.250 nan 0.000 0.438 315 R N -0.162 120.411 120.500 0.121 0.000 2.297 315 R HA 0.132 4.472 4.340 -0.001 0.000 0.197 315 R C 0.238 176.514 176.300 -0.040 0.000 0.943 315 R CA 0.418 56.578 56.100 0.100 0.000 1.038 315 R CB -0.135 30.309 30.300 0.240 0.000 0.957 315 R HN 0.422 nan 8.270 nan 0.000 0.484 316 H N -0.893 117.961 119.070 -0.360 0.000 2.951 316 H HA 0.104 4.659 4.556 -0.001 0.000 0.292 316 H C -1.229 173.843 175.328 -0.427 0.000 1.412 316 H CA -0.763 54.941 56.048 -0.572 0.000 1.206 316 H CB 1.678 30.596 29.762 -1.406 0.000 1.862 316 H HN -0.181 nan 8.280 nan 0.000 0.502 317 K N 2.204 122.122 120.400 -0.803 0.000 2.382 317 K HA 0.139 4.459 4.320 -0.001 0.000 0.286 317 K C -0.795 175.701 176.600 -0.173 0.000 1.062 317 K CA 0.305 56.354 56.287 -0.397 0.000 1.000 317 K CB 0.310 32.587 32.500 -0.372 0.000 0.954 317 K HN 0.363 nan 8.250 nan 0.000 0.470 318 T N 4.158 118.723 114.554 0.018 0.000 2.837 318 T HA 0.100 4.450 4.350 -0.001 0.000 0.285 318 T C 0.151 174.948 174.700 0.162 0.000 0.984 318 T CA -0.683 61.560 62.100 0.237 0.000 1.049 318 T CB 1.423 70.462 68.868 0.284 0.000 0.947 318 T HN 0.575 nan 8.240 nan 0.000 0.472 319 D N 1.586 122.111 120.400 0.210 0.000 2.144 319 D HA 0.158 4.798 4.640 -0.001 0.000 0.207 319 D C 0.194 176.550 176.300 0.093 0.000 0.970 319 D CA 0.780 54.870 54.000 0.151 0.000 0.853 319 D CB 0.279 41.205 40.800 0.209 0.000 1.007 319 D HN 0.459 nan 8.370 nan 0.000 0.469 320 I N 0.415 121.036 120.570 0.085 0.000 2.478 320 I HA 0.524 4.693 4.170 -0.001 0.000 0.287 320 I C -1.172 174.980 176.117 0.059 0.000 1.042 320 I CA -0.995 60.334 61.300 0.047 0.000 1.067 320 I CB 2.260 40.267 38.000 0.012 0.000 1.233 320 I HN -0.126 nan 8.210 nan 0.000 0.431 321 A N 6.457 129.313 122.820 0.060 0.000 2.304 321 A HA 0.790 5.110 4.320 -0.001 0.000 0.314 321 A C -0.737 176.872 177.584 0.041 0.000 1.187 321 A CA -0.532 51.544 52.037 0.066 0.000 0.810 321 A CB 1.192 20.243 19.000 0.085 0.000 1.183 321 A HN 0.437 nan 8.150 nan 0.000 0.487 322 V N 3.374 123.307 119.914 0.031 0.000 2.398 322 V HA 0.323 4.443 4.120 -0.001 0.000 0.286 322 V C -0.285 175.821 176.094 0.019 0.000 1.026 322 V CA -0.496 61.815 62.300 0.019 0.000 0.868 322 V CB 1.338 33.167 31.823 0.009 0.000 0.982 322 V HN 0.793 nan 8.190 nan 0.000 0.443 323 L N 5.676 126.909 121.223 0.017 0.000 2.268 323 L HA 0.803 5.142 4.340 -0.001 0.000 0.289 323 L C 0.146 177.020 176.870 0.006 0.000 1.064 323 L CA 0.686 55.534 54.840 0.014 0.000 0.824 323 L CB 0.072 42.140 42.059 0.015 0.000 1.202 323 L HN 0.919 nan 8.230 nan 0.000 0.433 324 A N 3.435 126.257 122.820 0.002 0.000 2.515 324 A HA 0.410 4.729 4.320 -0.001 0.000 0.292 324 A C -1.625 175.956 177.584 -0.006 0.000 1.065 324 A CA -0.715 51.320 52.037 -0.003 0.000 0.641 324 A CB 0.379 19.376 19.000 -0.004 0.000 1.306 324 A HN 0.574 nan 8.150 nan 0.000 0.441 325 D N 0.539 120.933 120.400 -0.009 0.000 2.348 325 D HA 0.552 5.191 4.640 -0.001 0.000 0.253 325 D C 1.266 177.557 176.300 -0.016 0.000 1.161 325 D CA 0.596 54.589 54.000 -0.012 0.000 0.876 325 D CB 1.501 42.294 40.800 -0.012 0.000 1.160 325 D HN 0.880 nan 8.370 nan 0.000 0.459 326 A N 3.950 126.759 122.820 -0.018 0.000 1.884 326 A HA -0.300 4.019 4.320 -0.001 0.000 0.219 326 A C 1.974 179.540 177.584 -0.030 0.000 1.197 326 A CA 1.815 53.838 52.037 -0.023 0.000 0.637 326 A CB -0.842 18.143 19.000 -0.025 0.000 0.827 326 A HN 0.810 nan 8.150 nan 0.000 0.450 327 Q N -0.443 119.338 119.800 -0.032 0.000 2.050 327 Q HA -0.208 4.132 4.340 -0.001 0.000 0.202 327 Q C 2.124 178.105 176.000 -0.031 0.000 0.980 327 Q CA 1.919 57.699 55.803 -0.038 0.000 0.840 327 Q CB -0.159 28.558 28.738 -0.035 0.000 0.898 327 Q HN 0.730 nan 8.270 nan 0.000 0.424 328 K N -0.572 119.813 120.400 -0.024 0.000 2.032 328 K HA -0.130 4.190 4.320 -0.001 0.000 0.209 328 K C 2.115 178.703 176.600 -0.021 0.000 1.048 328 K CA 1.967 58.241 56.287 -0.021 0.000 0.927 328 K CB -0.185 32.305 32.500 -0.017 0.000 0.712 328 K HN 0.246 nan 8.250 nan 0.000 0.441 329 T N 1.904 116.447 114.554 -0.019 0.000 2.788 329 T HA -0.080 4.270 4.350 -0.001 0.000 0.268 329 T C 1.896 176.584 174.700 -0.021 0.000 1.044 329 T CA 0.953 63.042 62.100 -0.017 0.000 1.139 329 T CB -0.142 68.718 68.868 -0.014 0.000 0.867 329 T HN 0.101 nan 8.240 nan 0.000 0.454 330 L N 0.691 121.898 121.223 -0.027 0.000 2.056 330 L HA -0.009 4.331 4.340 -0.001 0.000 0.207 330 L C 3.093 179.944 176.870 -0.032 0.000 1.078 330 L CA 1.053 55.874 54.840 -0.031 0.000 0.749 330 L CB -0.681 41.350 42.059 -0.047 0.000 0.901 330 L HN 0.253 nan 8.230 nan 0.000 0.433 331 A N 0.116 122.916 122.820 -0.032 0.000 1.933 331 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 331 A C 2.495 180.065 177.584 -0.024 0.000 1.175 331 A CA 1.764 53.783 52.037 -0.030 0.000 0.628 331 A CB -0.609 18.375 19.000 -0.028 0.000 0.814 331 A HN 0.406 nan 8.150 nan 0.000 0.444 332 A N -0.301 122.507 122.820 -0.021 0.000 1.968 332 A HA 0.019 4.339 4.320 -0.001 0.000 0.217 332 A C 2.086 179.660 177.584 -0.018 0.000 1.169 332 A CA 1.303 53.329 52.037 -0.018 0.000 0.638 332 A CB -0.509 18.481 19.000 -0.016 0.000 0.812 332 A HN 0.491 nan 8.150 nan 0.000 0.446 333 I N -0.936 119.623 120.570 -0.018 0.000 2.252 333 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 333 I C 2.382 178.488 176.117 -0.019 0.000 1.102 333 I CA 0.923 62.213 61.300 -0.017 0.000 1.385 333 I CB -0.243 37.749 38.000 -0.014 0.000 1.064 333 I HN 0.324 nan 8.210 nan 0.000 0.414 334 L N 1.343 122.553 121.223 -0.022 0.000 2.042 334 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 334 L C 2.448 179.305 176.870 -0.022 0.000 1.076 334 L CA 2.036 56.861 54.840 -0.024 0.000 0.749 334 L CB -0.798 41.244 42.059 -0.029 0.000 0.893 334 L HN 0.203 nan 8.230 nan 0.000 0.432 335 A N -1.017 121.791 122.820 -0.021 0.000 2.259 335 A HA -0.154 4.166 4.320 -0.001 0.000 0.212 335 A C 1.611 179.184 177.584 -0.017 0.000 1.178 335 A CA 1.294 53.320 52.037 -0.018 0.000 0.734 335 A CB -0.623 18.366 19.000 -0.017 0.000 0.774 335 A HN 0.771 nan 8.150 nan 0.000 0.481 336 Q N -0.695 119.095 119.800 -0.018 0.000 2.086 336 Q HA 0.411 4.751 4.340 -0.001 0.000 0.220 336 Q C -0.273 175.716 176.000 -0.018 0.000 0.792 336 Q CA 0.010 55.802 55.803 -0.017 0.000 1.062 336 Q CB -0.160 28.568 28.738 -0.016 0.000 1.198 336 Q HN 0.437 nan 8.270 nan 0.000 0.466 337 V N -2.628 117.274 119.914 -0.020 0.000 3.046 337 V HA 0.884 5.004 4.120 -0.001 0.000 0.316 337 V C -0.474 175.605 176.094 -0.025 0.000 1.104 337 V CA -0.574 61.712 62.300 -0.023 0.000 1.006 337 V CB 1.998 33.806 31.823 -0.025 0.000 1.058 337 V HN 0.207 nan 8.190 nan 0.000 0.440 338 S N 0.317 116.000 115.700 -0.028 0.000 2.709 338 S HA 0.590 5.060 4.470 -0.001 0.000 0.302 338 S C -0.630 173.946 174.600 -0.041 0.000 1.127 338 S CA -0.648 57.534 58.200 -0.030 0.000 0.905 338 S CB 1.631 64.817 63.200 -0.024 0.000 1.151 338 S HN 1.034 nan 8.310 nan 0.000 0.510 339 E N 0.924 121.097 120.200 -0.044 0.000 2.413 339 E HA 0.133 4.482 4.350 -0.001 0.000 0.263 339 E C -0.409 176.153 176.600 -0.063 0.000 1.015 339 E CA 0.408 56.772 56.400 -0.061 0.000 0.916 339 E CB 0.457 30.126 29.700 -0.052 0.000 0.947 339 E HN 0.294 nan 8.360 nan 0.000 0.440 340 R N 2.992 123.437 120.500 -0.092 0.000 2.778 340 R HA 0.322 4.662 4.340 -0.001 0.000 0.277 340 R C -0.390 175.844 176.300 -0.110 0.000 0.977 340 R CA -0.834 55.215 56.100 -0.086 0.000 0.950 340 R CB 1.494 31.739 30.300 -0.092 0.000 1.165 340 R HN 0.631 nan 8.270 nan 0.000 0.474 341 E N 0.589 120.744 120.200 -0.074 0.000 2.318 341 E HA 0.151 4.501 4.350 -0.001 0.000 0.265 341 E C -0.450 176.100 176.600 -0.084 0.000 1.069 341 E CA -0.406 55.954 56.400 -0.067 0.000 0.893 341 E CB 1.059 30.746 29.700 -0.021 0.000 1.076 341 E HN 0.383 nan 8.360 nan 0.000 0.414 342 S N 1.846 117.503 115.700 -0.071 0.000 2.673 342 S HA -0.030 4.440 4.470 -0.001 0.000 0.308 342 S C 0.280 174.914 174.600 0.056 0.000 1.246 342 S CA -0.013 58.179 58.200 -0.013 0.000 1.077 342 S CB -0.215 63.066 63.200 0.134 0.000 0.814 342 S HN 0.529 nan 8.310 nan 0.000 0.503 343 T N 1.753 116.364 114.554 0.096 0.000 2.912 343 T HA 0.394 4.744 4.350 -0.001 0.000 0.280 343 T C -2.083 172.706 174.700 0.148 0.000 0.989 343 T CA -2.178 60.002 62.100 0.132 0.000 0.995 343 T CB 0.765 69.729 68.868 0.160 0.000 1.077 343 T HN 0.121 nan 8.240 nan 0.000 0.531 344 P HA -0.118 nan 4.420 nan 0.000 0.216 344 P C 1.312 178.701 177.300 0.148 0.000 1.153 344 P CA 1.047 64.237 63.100 0.150 0.000 0.858 344 P CB -0.075 31.767 31.700 0.236 0.000 0.789 345 W N -0.822 120.505 121.300 0.045 0.000 2.338 345 W HA -0.184 4.476 4.660 -0.001 0.000 0.304 345 W C 2.038 178.591 176.519 0.056 0.000 1.212 345 W CA 0.891 58.266 57.345 0.050 0.000 1.264 345 W CB -0.877 28.629 29.460 0.077 0.000 1.142 345 W HN 0.080 nan 8.180 nan 0.000 0.512 346 W N 1.611 122.857 121.300 -0.090 0.000 2.355 346 W HA -0.248 4.411 4.660 -0.001 0.000 0.309 346 W C 2.189 178.499 176.519 -0.347 0.000 1.206 346 W CA 1.836 59.043 57.345 -0.229 0.000 1.284 346 W CB -0.529 28.872 29.460 -0.097 0.000 1.145 346 W HN 0.084 nan 8.180 nan 0.000 0.502 347 Q N 0.116 119.731 119.800 -0.307 0.000 2.079 347 Q HA -0.145 4.194 4.340 -0.001 0.000 0.200 347 Q C 2.556 178.035 176.000 -0.869 0.000 0.974 347 Q CA 1.838 57.215 55.803 -0.711 0.000 0.840 347 Q CB -0.542 27.578 28.738 -1.030 0.000 0.898 347 Q HN 0.260 nan 8.270 nan 0.000 0.430 348 A N 1.536 123.940 122.820 -0.694 0.000 1.877 348 A HA -0.211 4.109 4.320 -0.001 0.000 0.216 348 A C 1.823 179.179 177.584 -0.379 0.000 1.186 348 A CA 1.498 53.372 52.037 -0.272 0.000 0.620 348 A CB -0.581 18.444 19.000 0.042 0.000 0.822 348 A HN 0.314 nan 8.150 nan 0.000 0.443 349 N N 0.021 118.400 118.700 -0.535 0.000 2.166 349 N HA -0.097 4.642 4.740 -0.001 0.000 0.186 349 N C 1.761 176.924 175.510 -0.577 0.000 1.019 349 N CA 1.382 54.077 53.050 -0.592 0.000 0.856 349 N CB -0.349 37.694 38.487 -0.741 0.000 0.993 349 N HN 0.497 nan 8.380 nan 0.000 0.426 350 L N 0.891 121.715 121.223 -0.665 0.000 2.017 350 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 350 L C 2.557 179.138 176.870 -0.482 0.000 1.073 350 L CA 1.157 55.624 54.840 -0.623 0.000 0.745 350 L CB -0.532 41.104 42.059 -0.706 0.000 0.894 350 L HN 0.111 nan 8.230 nan 0.000 0.432 351 A N 0.097 122.618 122.820 -0.498 0.000 1.902 351 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 351 A C 2.061 179.176 177.584 -0.781 0.000 1.181 351 A CA 2.144 53.856 52.037 -0.541 0.000 0.623 351 A CB -0.689 18.011 19.000 -0.500 0.000 0.818 351 A HN 0.456 nan 8.150 nan 0.000 0.443 352 N N 0.050 118.238 118.700 -0.853 0.000 2.120 352 N HA -0.122 4.618 4.740 -0.001 0.000 0.188 352 N C 1.527 176.874 175.510 -0.271 0.000 1.024 352 N CA 1.711 54.413 53.050 -0.580 0.000 0.852 352 N CB -0.404 37.883 38.487 -0.334 0.000 1.003 352 N HN 0.153 nan 8.380 nan 0.000 0.424 353 V N 0.865 120.614 119.914 -0.275 0.000 2.295 353 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 353 V C 2.241 178.295 176.094 -0.068 0.000 1.049 353 V CA 1.612 63.828 62.300 -0.140 0.000 1.024 353 V CB -0.417 31.273 31.823 -0.222 0.000 0.648 353 V HN 0.352 nan 8.190 nan 0.000 0.447 354 K N 0.048 120.357 120.400 -0.151 0.000 2.063 354 K HA -0.233 4.087 4.320 -0.001 0.000 0.208 354 K C 2.173 178.753 176.600 -0.034 0.000 1.048 354 K CA 1.842 58.068 56.287 -0.101 0.000 0.928 354 K CB -0.392 32.029 32.500 -0.131 0.000 0.713 354 K HN 0.537 nan 8.250 nan 0.000 0.442 355 N N 0.284 118.968 118.700 -0.026 0.000 2.069 355 N HA -0.228 4.512 4.740 -0.001 0.000 0.191 355 N C 1.742 177.353 175.510 0.169 0.000 1.031 355 N CA 1.248 54.347 53.050 0.082 0.000 0.852 355 N CB -0.151 38.422 38.487 0.143 0.000 1.018 355 N HN 0.408 nan 8.380 nan 0.000 0.423 356 W N 1.873 123.149 121.300 -0.040 0.000 2.333 356 W HA -0.160 4.500 4.660 -0.001 0.000 0.316 356 W C 2.060 178.592 176.519 0.022 0.000 1.215 356 W CA 0.952 58.291 57.345 -0.009 0.000 1.278 356 W CB -0.183 29.233 29.460 -0.073 0.000 1.154 356 W HN 0.124 nan 8.180 nan 0.000 0.486 357 R N 0.143 120.610 120.500 -0.054 0.000 2.152 357 R HA -0.123 4.217 4.340 -0.001 0.000 0.232 357 R C 2.396 178.590 176.300 -0.177 0.000 1.117 357 R CA 1.306 57.284 56.100 -0.203 0.000 0.981 357 R CB -0.689 29.554 30.300 -0.095 0.000 0.870 357 R HN 0.165 nan 8.270 nan 0.000 0.451 358 A N 0.492 123.262 122.820 -0.082 0.000 1.930 358 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 358 A C 1.917 179.453 177.584 -0.079 0.000 1.175 358 A CA 0.998 52.998 52.037 -0.062 0.000 0.627 358 A CB -0.595 18.401 19.000 -0.005 0.000 0.815 358 A HN 0.430 nan 8.150 nan 0.000 0.443 359 Y N 0.770 120.957 120.300 -0.190 0.000 2.089 359 Y HA -0.196 4.354 4.550 -0.001 0.000 0.282 359 Y C 1.932 177.625 175.900 -0.345 0.000 1.139 359 Y CA 1.953 59.915 58.100 -0.230 0.000 1.123 359 Y CB -0.528 37.800 38.460 -0.221 0.000 0.980 359 Y HN 0.197 nan 8.280 nan 0.000 0.493 360 L N -0.047 120.776 121.223 -0.667 0.000 2.079 360 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 360 L C 2.751 179.368 176.870 -0.420 0.000 1.081 360 L CA 1.214 55.624 54.840 -0.716 0.000 0.752 360 L CB -1.030 40.573 42.059 -0.759 0.000 0.896 360 L HN 0.409 nan 8.230 nan 0.000 0.433 361 A N 0.133 122.771 122.820 -0.304 0.000 1.930 361 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 361 A C 2.508 179.983 177.584 -0.181 0.000 1.175 361 A CA 1.731 53.655 52.037 -0.189 0.000 0.627 361 A CB -0.556 18.362 19.000 -0.137 0.000 0.815 361 A HN 0.511 nan 8.150 nan 0.000 0.443 362 S N 0.209 115.784 115.700 -0.210 0.000 2.402 362 S HA -0.056 4.414 4.470 -0.001 0.000 0.229 362 S C 1.821 176.309 174.600 -0.187 0.000 1.021 362 S CA 1.280 59.382 58.200 -0.164 0.000 0.974 362 S CB -0.663 62.459 63.200 -0.129 0.000 0.800 362 S HN 0.454 nan 8.310 nan 0.000 0.484 363 L N 1.345 122.377 121.223 -0.317 0.000 2.005 363 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 363 L C 2.941 179.746 176.870 -0.109 0.000 1.072 363 L CA 1.688 56.360 54.840 -0.280 0.000 0.744 363 L CB -0.715 40.964 42.059 -0.632 0.000 0.895 363 L HN 0.333 nan 8.230 nan 0.000 0.433 364 E N 0.064 120.196 120.200 -0.114 0.000 2.118 364 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 364 E C 1.147 177.710 176.600 -0.060 0.000 0.992 364 E CA 1.239 57.603 56.400 -0.060 0.000 0.804 364 E CB -0.074 29.598 29.700 -0.046 0.000 0.741 364 E HN 0.451 nan 8.360 nan 0.000 0.458 365 D N 0.753 121.110 120.400 -0.071 0.000 2.336 365 D HA 0.015 4.655 4.640 -0.001 0.000 0.229 365 D C -0.208 176.065 176.300 -0.046 0.000 1.061 365 D CA 0.358 54.323 54.000 -0.058 0.000 0.875 365 D CB 0.082 40.846 40.800 -0.061 0.000 0.904 365 D HN 0.090 nan 8.370 nan 0.000 0.525 366 K N 0.819 121.196 120.400 -0.038 0.000 2.401 366 K HA 0.085 4.404 4.320 -0.001 0.000 0.278 366 K C 1.075 177.659 176.600 -0.027 0.000 1.018 366 K CA 0.105 56.376 56.287 -0.026 0.000 0.981 366 K CB 0.943 33.435 32.500 -0.012 0.000 0.933 366 K HN -0.122 nan 8.250 nan 0.000 0.477 367 Q N 1.686 121.472 119.800 -0.023 0.000 2.247 367 Q HA 0.147 4.486 4.340 -0.001 0.000 0.211 367 Q C -0.377 175.612 176.000 -0.018 0.000 0.861 367 Q CA 0.513 56.302 55.803 -0.023 0.000 0.949 367 Q CB 0.956 29.681 28.738 -0.022 0.000 1.115 367 Q HN 0.619 nan 8.270 nan 0.000 0.507 368 E N -1.497 118.694 120.200 -0.015 0.000 2.430 368 E HA 0.514 4.864 4.350 -0.001 0.000 0.279 368 E C -0.429 176.165 176.600 -0.011 0.000 1.003 368 E CA -0.147 56.246 56.400 -0.012 0.000 0.801 368 E CB 2.086 31.780 29.700 -0.010 0.000 1.313 368 E HN 0.125 nan 8.360 nan 0.000 0.459 369 G N 1.558 110.352 108.800 -0.010 0.000 2.542 369 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.235 369 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.235 369 G C -2.588 172.304 174.900 -0.013 0.000 1.286 369 G CA -0.526 44.568 45.100 -0.010 0.000 0.904 369 G HN 0.438 nan 8.290 nan 0.000 0.577 370 P HA 0.393 nan 4.420 nan 0.000 0.271 370 P C -0.093 177.190 177.300 -0.029 0.000 1.226 370 P CA -0.192 62.897 63.100 -0.020 0.000 0.765 370 P CB 1.144 32.832 31.700 -0.019 0.000 0.835 371 L N 4.360 125.563 121.223 -0.033 0.000 2.410 371 L HA 0.103 4.442 4.340 -0.001 0.000 0.273 371 L C 0.419 177.242 176.870 -0.078 0.000 1.152 371 L CA 0.819 55.632 54.840 -0.046 0.000 0.855 371 L CB -0.007 42.032 42.059 -0.034 0.000 1.129 371 L HN 0.395 nan 8.230 nan 0.000 0.463 372 Q N 2.937 122.664 119.800 -0.122 0.000 2.416 372 Q HA 0.544 4.884 4.340 -0.001 0.000 0.279 372 Q C 0.766 176.597 176.000 -0.281 0.000 1.101 372 Q CA -0.285 55.362 55.803 -0.260 0.000 0.830 372 Q CB 1.690 30.195 28.738 -0.388 0.000 1.402 372 Q HN 0.789 nan 8.270 nan 0.000 0.445 373 A N 0.608 123.205 122.820 -0.371 0.000 1.940 373 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 373 A C 1.362 178.857 177.584 -0.148 0.000 1.176 373 A CA 1.683 53.656 52.037 -0.107 0.000 0.631 373 A CB -0.710 18.195 19.000 -0.159 0.000 0.814 373 A HN 0.762 nan 8.150 nan 0.000 0.446 374 Y N 0.086 120.270 120.300 -0.193 0.000 2.114 374 Y HA -0.248 4.301 4.550 -0.001 0.000 0.282 374 Y C 2.538 178.246 175.900 -0.320 0.000 1.165 374 Y CA 1.651 59.477 58.100 -0.456 0.000 1.148 374 Y CB -1.214 37.043 38.460 -0.338 0.000 0.972 374 Y HN 0.395 nan 8.280 nan 0.000 0.504 375 Q N -0.488 119.277 119.800 -0.058 0.000 2.245 375 Q HA -0.020 4.320 4.340 -0.001 0.000 0.201 375 Q C 2.332 178.253 176.000 -0.132 0.000 0.955 375 Q CA 0.915 56.667 55.803 -0.085 0.000 0.870 375 Q CB -0.413 28.286 28.738 -0.064 0.000 0.945 375 Q HN 0.335 nan 8.270 nan 0.000 0.461 376 V N 0.436 120.293 119.914 -0.096 0.000 2.343 376 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 376 V C 1.906 177.917 176.094 -0.139 0.000 1.051 376 V CA 1.501 63.730 62.300 -0.119 0.000 1.036 376 V CB -0.411 31.364 31.823 -0.079 0.000 0.654 376 V HN 0.343 nan 8.190 nan 0.000 0.451 377 L N -0.348 120.855 121.223 -0.034 0.000 2.313 377 L HA -0.038 4.301 4.340 -0.001 0.000 0.214 377 L C 2.708 179.509 176.870 -0.114 0.000 1.119 377 L CA 0.943 55.762 54.840 -0.034 0.000 0.809 377 L CB -0.533 41.520 42.059 -0.010 0.000 0.933 377 L HN 0.243 nan 8.230 nan 0.000 0.449 378 R N 0.971 121.386 120.500 -0.142 0.000 2.075 378 R HA -0.117 4.222 4.340 -0.001 0.000 0.232 378 R C 2.123 178.299 176.300 -0.207 0.000 1.126 378 R CA 1.597 57.618 56.100 -0.131 0.000 0.963 378 R CB -0.223 30.012 30.300 -0.109 0.000 0.858 378 R HN 0.304 nan 8.270 nan 0.000 0.435 379 A N 0.543 123.148 122.820 -0.358 0.000 1.969 379 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 379 A C 2.404 179.612 177.584 -0.627 0.000 1.169 379 A CA 1.307 52.981 52.037 -0.605 0.000 0.635 379 A CB -0.472 17.873 19.000 -1.091 0.000 0.810 379 A HN 0.189 nan 8.150 nan 0.000 0.445 380 V N 0.988 120.620 119.914 -0.470 0.000 2.295 380 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 380 V C 2.347 178.389 176.094 -0.087 0.000 1.049 380 V CA 2.162 64.379 62.300 -0.138 0.000 1.024 380 V CB -0.862 30.916 31.823 -0.075 0.000 0.648 380 V HN 0.566 nan 8.190 nan 0.000 0.447 381 N N 0.164 118.802 118.700 -0.104 0.000 2.149 381 N HA -0.168 4.572 4.740 -0.001 0.000 0.188 381 N C 1.800 177.302 175.510 -0.013 0.000 1.019 381 N CA 1.160 54.181 53.050 -0.048 0.000 0.857 381 N CB -0.274 38.182 38.487 -0.051 0.000 0.997 381 N HN 0.406 nan 8.380 nan 0.000 0.426 382 K N 1.142 121.516 120.400 -0.043 0.000 2.097 382 K HA -0.067 4.253 4.320 -0.001 0.000 0.206 382 K C 1.965 178.595 176.600 0.049 0.000 1.049 382 K CA 0.754 57.033 56.287 -0.013 0.000 0.933 382 K CB -0.353 32.119 32.500 -0.048 0.000 0.717 382 K HN 0.495 nan 8.250 nan 0.000 0.442 383 I N -2.103 118.534 120.570 0.112 0.000 3.883 383 I HA 0.244 4.414 4.170 -0.001 0.000 0.326 383 I C 0.607 176.874 176.117 0.250 0.000 1.283 383 I CA -0.445 60.967 61.300 0.186 0.000 1.161 383 I CB 0.097 38.261 38.000 0.273 0.000 1.012 383 I HN -0.243 nan 8.210 nan 0.000 0.421 384 A N 1.783 124.749 122.820 0.243 0.000 2.388 384 A HA 0.338 4.657 4.320 -0.001 0.000 0.257 384 A C 0.171 177.866 177.584 0.185 0.000 1.095 384 A CA -0.198 52.016 52.037 0.295 0.000 0.791 384 A CB 0.217 19.337 19.000 0.201 0.000 1.029 384 A HN 0.451 nan 8.150 nan 0.000 0.489 385 E N 2.773 123.080 120.200 0.179 0.000 2.319 385 E HA 0.184 4.534 4.350 -0.001 0.000 0.268 385 E C -1.441 175.216 176.600 0.095 0.000 1.050 385 E CA -1.763 54.698 56.400 0.102 0.000 0.878 385 E CB 0.917 30.655 29.700 0.063 0.000 1.066 385 E HN 0.503 nan 8.360 nan 0.000 0.406 386 P HA -0.160 nan 4.420 nan 0.000 0.226 386 P C 0.110 177.444 177.300 0.057 0.000 1.146 386 P CA 1.291 64.427 63.100 0.060 0.000 0.773 386 P CB 0.234 31.959 31.700 0.040 0.000 0.772 387 D N -1.847 118.579 120.400 0.045 0.000 2.563 387 D HA 0.250 4.889 4.640 -0.001 0.000 0.237 387 D C 0.460 176.767 176.300 0.013 0.000 1.282 387 D CA -0.717 53.295 54.000 0.021 0.000 0.816 387 D CB -0.476 40.316 40.800 -0.014 0.000 1.066 387 D HN -0.015 nan 8.370 nan 0.000 0.501 388 A N 0.592 123.439 122.820 0.045 0.000 2.492 388 A HA 0.428 4.748 4.320 -0.001 0.000 0.236 388 A C 0.221 177.776 177.584 -0.049 0.000 1.078 388 A CA 0.060 52.093 52.037 -0.008 0.000 0.773 388 A CB 0.171 19.181 19.000 0.016 0.000 1.023 388 A HN 0.360 nan 8.150 nan 0.000 0.504 389 I N -0.016 120.498 120.570 -0.094 0.000 2.530 389 I HA 0.415 4.584 4.170 -0.001 0.000 0.297 389 I C -1.369 174.706 176.117 -0.069 0.000 1.011 389 I CA -0.385 60.921 61.300 0.009 0.000 1.107 389 I CB 1.771 39.802 38.000 0.051 0.000 1.285 389 I HN 0.585 nan 8.210 nan 0.000 0.436 390 Y N 3.129 123.554 120.300 0.207 0.000 2.350 390 Y HA 0.390 4.939 4.550 -0.001 0.000 0.338 390 Y C 0.243 176.256 175.900 0.189 0.000 0.961 390 Y CA -0.784 57.450 58.100 0.224 0.000 1.100 390 Y CB 2.056 40.614 38.460 0.163 0.000 1.179 390 Y HN 0.377 nan 8.280 nan 0.000 0.454 391 S N 4.617 120.494 115.700 0.295 0.000 2.438 391 S HA 0.670 5.140 4.470 -0.001 0.000 0.293 391 S C -0.638 174.100 174.600 0.229 0.000 1.141 391 S CA -0.413 57.916 58.200 0.214 0.000 1.080 391 S CB -0.167 63.122 63.200 0.149 0.000 0.978 391 S HN 0.557 nan 8.310 nan 0.000 0.479 392 I N 3.846 124.542 120.570 0.210 0.000 2.493 392 I HA 0.373 4.542 4.170 -0.001 0.000 0.298 392 I C 0.566 176.760 176.117 0.129 0.000 0.998 392 I CA -0.826 60.587 61.300 0.187 0.000 1.137 392 I CB 1.736 39.869 38.000 0.222 0.000 1.310 392 I HN 0.579 nan 8.210 nan 0.000 0.445 393 D N 3.409 123.859 120.400 0.084 0.000 2.399 393 D HA 0.414 5.054 4.640 -0.001 0.000 0.288 393 D C -0.944 175.356 176.300 0.001 0.000 1.197 393 D CA -0.043 53.983 54.000 0.043 0.000 1.081 393 D CB 1.647 42.466 40.800 0.032 0.000 1.139 393 D HN 0.081 nan 8.370 nan 0.000 0.554 394 V N -0.500 119.384 119.914 -0.050 0.000 2.588 394 V HA 0.697 4.816 4.120 -0.001 0.000 0.304 394 V C 0.670 176.636 176.094 -0.213 0.000 1.042 394 V CA 0.301 62.521 62.300 -0.134 0.000 0.877 394 V CB 0.995 32.754 31.823 -0.106 0.000 0.996 394 V HN 0.888 nan 8.190 nan 0.000 0.425 395 G N 3.699 112.246 108.800 -0.423 0.000 2.334 395 G HA2 0.013 3.973 3.960 -0.001 0.000 0.249 395 G HA3 0.013 3.973 3.960 -0.001 0.000 0.249 395 G C -0.151 174.457 174.900 -0.487 0.000 1.327 395 G CA 0.026 44.850 45.100 -0.459 0.000 0.979 395 G HN 0.429 nan 8.290 nan 0.000 0.471 396 D N -0.374 119.965 120.400 -0.101 0.000 2.218 396 D HA -0.052 4.588 4.640 -0.001 0.000 0.204 396 D C 2.342 178.561 176.300 -0.136 0.000 0.976 396 D CA 0.982 54.998 54.000 0.027 0.000 0.853 396 D CB 0.063 40.901 40.800 0.064 0.000 0.939 396 D HN 0.279 nan 8.370 nan 0.000 0.481 397 I N 1.079 121.505 120.570 -0.240 0.000 2.567 397 I HA -0.220 3.950 4.170 -0.001 0.000 0.257 397 I C 1.227 177.227 176.117 -0.194 0.000 1.184 397 I CA 1.191 62.308 61.300 -0.306 0.000 1.451 397 I CB -0.280 37.519 38.000 -0.335 0.000 1.089 397 I HN -0.072 nan 8.210 nan 0.000 0.441 398 N N -0.032 118.534 118.700 -0.222 0.000 2.188 398 N HA -0.139 4.600 4.740 -0.001 0.000 0.184 398 N C 1.873 177.193 175.510 -0.316 0.000 1.018 398 N CA 1.369 54.246 53.050 -0.288 0.000 0.858 398 N CB -0.246 37.967 38.487 -0.457 0.000 0.989 398 N HN 0.403 nan 8.380 nan 0.000 0.426 399 L N 0.774 121.889 121.223 -0.180 0.000 2.005 399 L HA -0.102 4.238 4.340 -0.001 0.000 0.207 399 L C 1.632 178.508 176.870 0.010 0.000 1.072 399 L CA 1.298 56.105 54.840 -0.055 0.000 0.744 399 L CB -0.210 41.901 42.059 0.087 0.000 0.895 399 L HN 0.193 nan 8.230 nan 0.000 0.433 400 N N 0.375 119.091 118.700 0.026 0.000 2.120 400 N HA -0.155 4.584 4.740 -0.001 0.000 0.188 400 N C 1.803 177.391 175.510 0.130 0.000 1.024 400 N CA 1.509 54.640 53.050 0.135 0.000 0.852 400 N CB -0.425 38.072 38.487 0.017 0.000 1.003 400 N HN 0.482 nan 8.380 nan 0.000 0.424 401 A N 1.280 124.099 122.820 -0.003 0.000 1.908 401 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 401 A C 2.131 179.716 177.584 0.002 0.000 1.181 401 A CA 1.810 53.837 52.037 -0.016 0.000 0.627 401 A CB -0.820 18.159 19.000 -0.034 0.000 0.818 401 A HN 0.359 nan 8.150 nan 0.000 0.445 402 N N -0.586 118.143 118.700 0.048 0.000 2.289 402 N HA -0.119 4.620 4.740 -0.001 0.000 0.184 402 N C 1.790 177.336 175.510 0.059 0.000 1.016 402 N CA 1.459 54.572 53.050 0.104 0.000 0.872 402 N CB -0.185 38.383 38.487 0.135 0.000 0.973 402 N HN 0.535 nan 8.380 nan 0.000 0.433 403 R N -1.630 118.874 120.500 0.007 0.000 2.112 403 R HA 0.111 4.450 4.340 -0.001 0.000 0.216 403 R C 1.299 177.400 176.300 -0.331 0.000 1.080 403 R CA 0.886 56.897 56.100 -0.148 0.000 0.996 403 R CB -0.044 30.095 30.300 -0.269 0.000 0.902 403 R HN 0.476 nan 8.270 nan 0.000 0.449 404 H N -0.440 118.600 119.070 -0.050 0.000 2.729 404 H HA 0.205 4.760 4.556 -0.001 0.000 0.263 404 H C 0.465 175.733 175.328 -0.100 0.000 0.961 404 H CA -0.045 55.956 56.048 -0.080 0.000 1.217 404 H CB 0.631 30.356 29.762 -0.061 0.000 1.447 404 H HN -0.004 nan 8.280 nan 0.000 0.496 405 L N 2.413 123.610 121.223 -0.043 0.000 2.410 405 L HA 0.074 4.413 4.340 -0.001 0.000 0.273 405 L C 0.305 177.100 176.870 -0.126 0.000 1.152 405 L CA 0.233 54.978 54.840 -0.159 0.000 0.855 405 L CB 0.685 42.528 42.059 -0.361 0.000 1.129 405 L HN -0.124 nan 8.230 nan 0.000 0.463 406 K N 5.517 125.861 120.400 -0.094 0.000 2.290 406 K HA 0.402 4.721 4.320 -0.001 0.000 0.250 406 K C -0.635 175.937 176.600 -0.047 0.000 1.092 406 K CA -0.219 56.037 56.287 -0.053 0.000 1.006 406 K CB 0.460 32.944 32.500 -0.027 0.000 1.549 406 K HN 0.460 nan 8.250 nan 0.000 0.436 407 L N 1.516 122.697 121.223 -0.071 0.000 2.439 407 L HA 0.355 4.695 4.340 -0.001 0.000 0.261 407 L C 0.940 177.799 176.870 -0.019 0.000 1.153 407 L CA -0.320 54.496 54.840 -0.041 0.000 0.808 407 L CB 1.058 43.070 42.059 -0.079 0.000 1.126 407 L HN 0.552 nan 8.230 nan 0.000 0.460 408 T N -2.506 112.054 114.554 0.011 0.000 2.864 408 T HA 0.421 4.771 4.350 -0.001 0.000 0.289 408 T C -2.376 172.332 174.700 0.013 0.000 1.082 408 T CA -1.821 60.282 62.100 0.005 0.000 1.009 408 T CB 1.915 70.792 68.868 0.016 0.000 1.234 408 T HN 0.233 nan 8.240 nan 0.000 0.526 409 P HA 0.045 nan 4.420 nan 0.000 0.228 409 P C 1.185 178.491 177.300 0.010 0.000 1.151 409 P CA 0.612 63.714 63.100 0.003 0.000 0.770 409 P CB -0.086 31.604 31.700 -0.016 0.000 0.786 410 S N -1.902 113.806 115.700 0.014 0.000 2.496 410 S HA 0.008 4.478 4.470 -0.001 0.000 0.224 410 S C 0.800 175.410 174.600 0.017 0.000 0.996 410 S CA 0.282 58.486 58.200 0.008 0.000 0.927 410 S CB -0.736 62.470 63.200 0.009 0.000 0.774 410 S HN 0.297 nan 8.310 nan 0.000 0.524 411 N N 1.305 120.040 118.700 0.059 0.000 2.493 411 N HA 0.417 5.157 4.740 -0.001 0.000 0.275 411 N C -0.247 175.335 175.510 0.119 0.000 1.186 411 N CA -0.439 52.681 53.050 0.116 0.000 0.978 411 N CB 0.567 39.174 38.487 0.201 0.000 1.184 411 N HN -0.045 nan 8.380 nan 0.000 0.487 412 R N 0.646 121.241 120.500 0.159 0.000 2.750 412 R HA 0.397 4.737 4.340 -0.001 0.000 0.281 412 R C -1.137 175.343 176.300 0.301 0.000 0.972 412 R CA -0.850 55.342 56.100 0.153 0.000 0.912 412 R CB 1.111 31.453 30.300 0.072 0.000 1.187 412 R HN 0.908 nan 8.270 nan 0.000 0.464 413 H N -0.350 118.798 119.070 0.131 0.000 2.771 413 H HA 0.753 5.308 4.556 -0.001 0.000 0.361 413 H C -0.389 174.986 175.328 0.079 0.000 1.108 413 H CA -1.004 55.137 56.048 0.155 0.000 1.201 413 H CB 1.647 31.452 29.762 0.072 0.000 1.681 413 H HN 0.569 nan 8.280 nan 0.000 0.534 414 I N 0.033 120.656 120.570 0.089 0.000 2.865 414 I HA 0.838 5.008 4.170 -0.001 0.000 0.302 414 I C -1.035 175.131 176.117 0.081 0.000 1.140 414 I CA -0.796 60.504 61.300 0.001 0.000 1.021 414 I CB 2.560 40.580 38.000 0.033 0.000 1.233 414 I HN 0.780 nan 8.210 nan 0.000 0.427 415 T N 1.268 115.857 114.554 0.059 0.000 2.645 415 T HA 0.321 4.670 4.350 -0.001 0.000 0.300 415 T C -1.201 173.548 174.700 0.081 0.000 1.210 415 T CA -0.390 61.774 62.100 0.107 0.000 1.034 415 T CB 1.883 70.870 68.868 0.199 0.000 1.537 415 T HN 0.733 nan 8.240 nan 0.000 0.492 416 S N 1.621 117.379 115.700 0.097 0.000 2.464 416 S HA 0.283 4.753 4.470 -0.001 0.000 0.313 416 S C 0.956 175.629 174.600 0.121 0.000 1.078 416 S CA -0.631 57.631 58.200 0.104 0.000 1.096 416 S CB -0.498 62.773 63.200 0.118 0.000 1.032 416 S HN 0.533 nan 8.310 nan 0.000 0.498 417 N N 3.533 122.297 118.700 0.107 0.000 2.084 417 N HA -0.060 4.679 4.740 -0.001 0.000 0.190 417 N C 1.236 176.833 175.510 0.145 0.000 1.030 417 N CA 1.106 54.238 53.050 0.136 0.000 0.849 417 N CB -0.199 38.337 38.487 0.083 0.000 1.012 417 N HN 0.555 nan 8.380 nan 0.000 0.423 418 L N -1.468 119.832 121.223 0.128 0.000 2.515 418 L HA 0.290 4.630 4.340 -0.001 0.000 0.202 418 L C 1.659 178.627 176.870 0.162 0.000 1.056 418 L CA 0.486 55.399 54.840 0.122 0.000 0.847 418 L CB -0.699 41.424 42.059 0.107 0.000 1.131 418 L HN -0.082 nan 8.230 nan 0.000 0.484 419 F N 2.067 122.035 119.950 0.031 0.000 2.186 419 F HA 0.178 4.705 4.527 -0.000 0.000 0.299 419 F C 1.541 177.352 175.800 0.018 0.000 1.090 419 F CA 0.839 58.857 58.000 0.029 0.000 1.307 419 F CB -0.377 38.656 39.000 0.055 0.000 1.019 419 F HN 0.220 nan 8.300 nan 0.000 0.489 420 A N 1.025 123.896 122.820 0.084 0.000 2.578 420 A HA -0.222 4.097 4.320 -0.001 0.000 0.298 420 A C 0.654 178.171 177.584 -0.112 0.000 1.472 420 A CA 0.887 52.917 52.037 -0.012 0.000 0.734 420 A CB -2.554 16.426 19.000 -0.033 0.000 1.091 420 A HN 0.502 nan 8.150 nan 0.000 0.426 421 T N 0.920 115.457 114.554 -0.028 0.000 2.869 421 T HA 0.574 4.923 4.350 -0.001 0.000 0.295 421 T C 0.673 175.358 174.700 -0.025 0.000 0.987 421 T CA -0.068 62.002 62.100 -0.052 0.000 1.109 421 T CB 0.063 69.009 68.868 0.130 0.000 0.932 421 T HN 0.491 nan 8.240 nan 0.000 0.518 422 M N 3.365 122.930 119.600 -0.059 0.000 2.202 422 M HA 0.411 4.891 4.480 -0.001 0.000 0.316 422 M C 1.643 177.930 176.300 -0.022 0.000 1.138 422 M CA 1.057 56.333 55.300 -0.040 0.000 1.151 422 M CB 0.753 33.321 32.600 -0.053 0.000 1.422 422 M HN 1.005 nan 8.290 nan 0.000 0.471 423 G N -0.318 108.476 108.800 -0.010 0.000 2.234 423 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.235 423 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.235 423 G C 0.523 175.418 174.900 -0.008 0.000 0.997 423 G CA 0.321 45.411 45.100 -0.017 0.000 0.623 423 G HN 0.826 nan 8.290 nan 0.000 0.514 424 V N 0.053 119.973 119.914 0.009 0.000 3.078 424 V HA 0.307 4.427 4.120 -0.001 0.000 0.265 424 V C 2.512 178.624 176.094 0.030 0.000 1.122 424 V CA 2.123 64.434 62.300 0.018 0.000 1.141 424 V CB -1.070 30.776 31.823 0.039 0.000 0.735 424 V HN 0.949 nan 8.190 nan 0.000 0.498 425 G N 0.922 109.745 108.800 0.038 0.000 2.433 425 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.216 425 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.216 425 G C 1.484 176.413 174.900 0.048 0.000 1.186 425 G CA 1.286 46.423 45.100 0.061 0.000 0.779 425 G HN 0.527 nan 8.290 nan 0.000 0.543 426 I N 1.920 122.505 120.570 0.024 0.000 2.163 426 I HA -0.093 4.077 4.170 -0.001 0.000 0.240 426 I C 0.169 176.284 176.117 -0.004 0.000 1.081 426 I CA 1.140 62.448 61.300 0.014 0.000 1.353 426 I CB -0.770 37.234 38.000 0.008 0.000 1.054 426 I HN 0.185 nan 8.210 nan 0.000 0.407 427 P HA -0.154 nan 4.420 nan 0.000 0.215 427 P C 1.617 178.887 177.300 -0.050 0.000 1.153 427 P CA 2.120 65.172 63.100 -0.079 0.000 0.853 427 P CB -0.263 31.370 31.700 -0.112 0.000 0.788 428 G N 0.462 109.258 108.800 -0.005 0.000 2.422 428 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 428 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 428 G C 1.838 176.770 174.900 0.055 0.000 1.146 428 G CA 1.045 46.164 45.100 0.031 0.000 0.769 428 G HN 0.378 nan 8.290 nan 0.000 0.547 429 A N 0.553 123.406 122.820 0.055 0.000 1.968 429 A HA 0.150 4.469 4.320 -0.001 0.000 0.217 429 A C 2.368 179.974 177.584 0.038 0.000 1.169 429 A CA 0.988 53.060 52.037 0.058 0.000 0.638 429 A CB -0.263 18.770 19.000 0.055 0.000 0.812 429 A HN 0.377 nan 8.150 nan 0.000 0.446 430 I N -0.143 120.439 120.570 0.019 0.000 2.142 430 I HA -0.288 3.881 4.170 -0.001 0.000 0.240 430 I C 2.994 179.127 176.117 0.026 0.000 1.078 430 I CA 1.159 62.467 61.300 0.013 0.000 1.343 430 I CB -0.406 37.591 38.000 -0.004 0.000 1.046 430 I HN 0.344 nan 8.210 nan 0.000 0.405 431 A N 0.798 123.647 122.820 0.049 0.000 1.902 431 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 431 A C 2.557 180.191 177.584 0.083 0.000 1.181 431 A CA 1.967 54.073 52.037 0.114 0.000 0.623 431 A CB -0.921 18.152 19.000 0.122 0.000 0.818 431 A HN 0.445 nan 8.150 nan 0.000 0.443 432 A N -0.306 122.573 122.820 0.099 0.000 1.865 432 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 432 A C 2.097 179.758 177.584 0.127 0.000 1.191 432 A CA 2.424 54.556 52.037 0.159 0.000 0.623 432 A CB -0.450 18.645 19.000 0.157 0.000 0.826 432 A HN 0.418 nan 8.150 nan 0.000 0.444 433 K N -0.284 120.153 120.400 0.060 0.000 2.211 433 K HA 0.104 4.424 4.320 -0.001 0.000 0.203 433 K C 1.704 178.283 176.600 -0.034 0.000 1.050 433 K CA 0.828 57.132 56.287 0.029 0.000 0.945 433 K CB -0.406 32.101 32.500 0.011 0.000 0.732 433 K HN 0.520 nan 8.250 nan 0.000 0.451 434 L N 0.303 121.461 121.223 -0.108 0.000 2.072 434 L HA -0.147 4.193 4.340 -0.001 0.000 0.205 434 L C 1.819 178.552 176.870 -0.228 0.000 1.079 434 L CA 1.004 55.687 54.840 -0.261 0.000 0.752 434 L CB -0.411 41.303 42.059 -0.574 0.000 0.906 434 L HN 0.248 nan 8.230 nan 0.000 0.436 435 N N -0.572 118.012 118.700 -0.193 0.000 2.207 435 N HA -0.104 4.635 4.740 -0.001 0.000 0.182 435 N C -0.006 175.208 175.510 -0.494 0.000 1.020 435 N CA 1.135 53.971 53.050 -0.357 0.000 0.858 435 N CB 0.140 38.274 38.487 -0.588 0.000 0.991 435 N HN 0.256 nan 8.380 nan 0.000 0.427 436 Y N 0.655 120.967 120.300 0.021 0.000 2.747 436 Y HA 0.325 4.875 4.550 -0.001 0.000 0.362 436 Y C -1.701 174.197 175.900 -0.004 0.000 1.026 436 Y CA -2.279 55.830 58.100 0.015 0.000 1.135 436 Y CB 1.104 39.578 38.460 0.023 0.000 1.175 436 Y HN 0.028 nan 8.280 nan 0.000 0.643 437 P HA -0.191 nan 4.420 nan 0.000 0.226 437 P C 0.725 178.050 177.300 0.041 0.000 1.146 437 P CA 1.469 64.593 63.100 0.039 0.000 0.773 437 P CB 0.517 32.221 31.700 0.006 0.000 0.772 438 E N -0.823 119.417 120.200 0.066 0.000 2.498 438 E HA 0.087 4.436 4.350 -0.001 0.000 0.203 438 E C 0.596 177.213 176.600 0.028 0.000 1.013 438 E CA 0.008 56.431 56.400 0.039 0.000 0.927 438 E CB 0.031 29.758 29.700 0.046 0.000 1.012 438 E HN 0.202 nan 8.360 nan 0.000 0.482 439 R N 1.104 121.631 120.500 0.045 0.000 2.540 439 R HA 0.282 4.622 4.340 -0.001 0.000 0.287 439 R C 0.019 176.306 176.300 -0.021 0.000 0.980 439 R CA -0.594 55.510 56.100 0.007 0.000 0.966 439 R CB 1.553 31.847 30.300 -0.010 0.000 1.106 439 R HN 0.142 nan 8.270 nan 0.000 0.480 440 Q N 2.061 121.830 119.800 -0.052 0.000 2.313 440 Q HA 0.195 4.535 4.340 -0.001 0.000 0.266 440 Q C -1.086 174.828 176.000 -0.145 0.000 0.989 440 Q CA 0.009 55.739 55.803 -0.121 0.000 0.890 440 Q CB 0.970 29.643 28.738 -0.108 0.000 1.200 440 Q HN 0.286 nan 8.270 nan 0.000 0.396 441 V N 5.256 125.045 119.914 -0.209 0.000 2.604 441 V HA 0.512 4.632 4.120 -0.001 0.000 0.305 441 V C -0.898 175.047 176.094 -0.248 0.000 1.043 441 V CA -0.610 61.610 62.300 -0.133 0.000 0.888 441 V CB 1.443 33.243 31.823 -0.038 0.000 0.995 441 V HN 0.646 nan 8.190 nan 0.000 0.429 442 F N 2.494 122.368 119.950 -0.126 0.000 2.546 442 F HA 0.576 5.102 4.527 -0.001 0.000 0.320 442 F C 0.130 175.967 175.800 0.061 0.000 1.076 442 F CA -0.684 57.296 58.000 -0.033 0.000 0.928 442 F CB 2.014 40.994 39.000 -0.033 0.000 1.189 442 F HN 0.513 nan 8.300 nan 0.000 0.465 443 N N 3.075 121.952 118.700 0.295 0.000 2.491 443 N HA 0.455 5.195 4.740 -0.001 0.000 0.274 443 N C -2.026 173.640 175.510 0.260 0.000 1.023 443 N CA -0.332 52.851 53.050 0.221 0.000 0.902 443 N CB 0.745 39.305 38.487 0.122 0.000 1.267 443 N HN 0.583 nan 8.380 nan 0.000 0.503 444 L N 2.445 123.838 121.223 0.284 0.000 2.276 444 L HA 0.849 5.188 4.340 -0.001 0.000 0.286 444 L C -0.200 176.805 176.870 0.226 0.000 1.024 444 L CA -0.784 54.254 54.840 0.330 0.000 0.826 444 L CB 1.343 43.606 42.059 0.339 0.000 1.211 444 L HN 0.638 nan 8.230 nan 0.000 0.422 445 A N 2.288 125.251 122.820 0.238 0.000 2.449 445 A HA 0.840 5.160 4.320 -0.001 0.000 0.302 445 A C -0.044 177.644 177.584 0.172 0.000 1.048 445 A CA -0.391 51.723 52.037 0.128 0.000 0.708 445 A CB 1.554 20.581 19.000 0.044 0.000 1.274 445 A HN 0.663 nan 8.150 nan 0.000 0.410 446 G N 0.254 109.110 108.800 0.092 0.000 2.572 446 G HA2 0.402 4.362 3.960 -0.001 0.000 0.261 446 G HA3 0.402 4.362 3.960 -0.001 0.000 0.261 446 G C 0.445 175.407 174.900 0.103 0.000 1.197 446 G CA 0.350 45.523 45.100 0.122 0.000 0.870 446 G HN 0.820 nan 8.290 nan 0.000 0.548 447 D N 0.100 120.590 120.400 0.149 0.000 2.158 447 D HA -0.123 4.517 4.640 -0.001 0.000 0.197 447 D C 2.130 178.590 176.300 0.265 0.000 0.995 447 D CA 1.605 55.725 54.000 0.199 0.000 0.846 447 D CB -0.850 40.154 40.800 0.339 0.000 0.941 447 D HN 0.474 nan 8.370 nan 0.000 0.456 448 G N 0.062 109.055 108.800 0.321 0.000 2.408 448 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.215 448 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.215 448 G C 1.715 176.751 174.900 0.226 0.000 1.156 448 G CA 0.650 45.959 45.100 0.348 0.000 0.793 448 G HN 0.496 nan 8.290 nan 0.000 0.535 449 G N 0.973 109.869 108.800 0.161 0.000 2.403 449 G HA2 0.128 4.088 3.960 -0.001 0.000 0.216 449 G HA3 0.128 4.088 3.960 -0.001 0.000 0.216 449 G C 1.968 176.901 174.900 0.056 0.000 1.154 449 G CA 1.344 46.489 45.100 0.075 0.000 0.784 449 G HN 0.569 nan 8.290 nan 0.000 0.538 450 A N 1.233 124.079 122.820 0.043 0.000 1.968 450 A HA 0.070 4.390 4.320 -0.001 0.000 0.217 450 A C 2.664 180.352 177.584 0.173 0.000 1.169 450 A CA 2.121 54.160 52.037 0.003 0.000 0.638 450 A CB -0.468 18.365 19.000 -0.278 0.000 0.812 450 A HN 0.578 nan 8.150 nan 0.000 0.446 451 S N -0.261 115.609 115.700 0.283 0.000 2.428 451 S HA -0.089 4.380 4.470 -0.001 0.000 0.230 451 S C 1.908 176.565 174.600 0.096 0.000 1.014 451 S CA 1.291 59.650 58.200 0.265 0.000 0.957 451 S CB -0.596 62.709 63.200 0.175 0.000 0.784 451 S HN 0.509 nan 8.310 nan 0.000 0.499 452 M N 2.068 121.699 119.600 0.052 0.000 2.202 452 M HA -0.063 4.416 4.480 -0.001 0.000 0.262 452 M C 1.469 177.733 176.300 -0.060 0.000 1.063 452 M CA 1.703 56.992 55.300 -0.018 0.000 1.097 452 M CB -0.785 31.795 32.600 -0.034 0.000 1.382 452 M HN 0.634 nan 8.290 nan 0.000 0.413 453 T N -3.409 111.130 114.554 -0.025 0.000 3.339 453 T HA 0.324 4.674 4.350 -0.001 0.000 0.292 453 T C 1.060 175.769 174.700 0.015 0.000 1.012 453 T CA -0.432 61.638 62.100 -0.050 0.000 0.937 453 T CB -0.424 68.407 68.868 -0.062 0.000 1.164 453 T HN 0.418 nan 8.240 nan 0.000 0.509 454 M N 0.930 120.572 119.600 0.071 0.000 2.267 454 M HA -0.137 4.343 4.480 -0.001 0.000 0.263 454 M C 2.237 178.580 176.300 0.073 0.000 1.063 454 M CA 1.571 56.949 55.300 0.130 0.000 1.090 454 M CB -0.722 31.997 32.600 0.199 0.000 1.392 454 M HN 0.216 nan 8.290 nan 0.000 0.422 455 Q N 0.756 120.581 119.800 0.041 0.000 2.291 455 Q HA -0.163 4.177 4.340 -0.001 0.000 0.206 455 Q C 0.639 176.662 176.000 0.039 0.000 0.976 455 Q CA 1.733 57.557 55.803 0.036 0.000 0.875 455 Q CB -1.052 27.714 28.738 0.046 0.000 0.927 455 Q HN 0.655 nan 8.270 nan 0.000 0.450 456 D N 0.599 121.021 120.400 0.036 0.000 2.336 456 D HA 0.108 4.747 4.640 -0.001 0.000 0.229 456 D C 1.571 177.892 176.300 0.036 0.000 1.061 456 D CA -0.019 54.003 54.000 0.036 0.000 0.875 456 D CB 0.247 41.058 40.800 0.019 0.000 0.904 456 D HN 0.291 nan 8.370 nan 0.000 0.525 457 L N 0.643 121.889 121.223 0.039 0.000 2.201 457 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 457 L C 2.601 179.485 176.870 0.023 0.000 1.105 457 L CA 0.642 55.503 54.840 0.035 0.000 0.775 457 L CB -0.228 41.860 42.059 0.048 0.000 0.913 457 L HN 0.001 nan 8.230 nan 0.000 0.440 458 A N -0.406 122.426 122.820 0.020 0.000 1.972 458 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 458 A C 2.328 179.921 177.584 0.015 0.000 1.169 458 A CA 2.184 54.228 52.037 0.011 0.000 0.635 458 A CB -0.743 18.266 19.000 0.015 0.000 0.810 458 A HN 0.383 nan 8.150 nan 0.000 0.446 459 T N 0.032 114.621 114.554 0.058 0.000 2.821 459 T HA -0.159 4.191 4.350 -0.001 0.000 0.267 459 T C 1.993 176.786 174.700 0.156 0.000 1.046 459 T CA 1.631 63.816 62.100 0.142 0.000 1.139 459 T CB -0.231 68.723 68.868 0.143 0.000 0.871 459 T HN 0.644 nan 8.240 nan 0.000 0.454 460 Q N 0.257 120.100 119.800 0.073 0.000 2.124 460 Q HA -0.064 4.276 4.340 -0.001 0.000 0.202 460 Q C 2.541 178.534 176.000 -0.011 0.000 0.977 460 Q CA 1.083 56.914 55.803 0.046 0.000 0.850 460 Q CB -0.328 28.424 28.738 0.025 0.000 0.901 460 Q HN 0.367 nan 8.270 nan 0.000 0.429 461 V N 0.718 120.602 119.914 -0.050 0.000 2.244 461 V HA -0.290 3.830 4.120 -0.001 0.000 0.244 461 V C 2.289 178.183 176.094 -0.333 0.000 1.042 461 V CA 2.069 64.291 62.300 -0.129 0.000 1.006 461 V CB -0.703 31.080 31.823 -0.066 0.000 0.641 461 V HN 0.385 nan 8.190 nan 0.000 0.446 462 Q N -0.754 118.863 119.800 -0.304 0.000 2.112 462 Q HA -0.237 4.103 4.340 -0.001 0.000 0.206 462 Q C 1.731 177.280 176.000 -0.753 0.000 0.987 462 Q CA 2.224 57.715 55.803 -0.521 0.000 0.858 462 Q CB -0.104 28.340 28.738 -0.491 0.000 0.905 462 Q HN 0.781 nan 8.270 nan 0.000 0.420 463 Y N -0.932 119.241 120.300 -0.212 0.000 2.493 463 Y HA 0.154 4.704 4.550 -0.001 0.000 0.275 463 Y C -0.562 175.323 175.900 -0.024 0.000 1.183 463 Y CA 0.159 58.200 58.100 -0.099 0.000 1.258 463 Y CB 0.087 38.510 38.460 -0.062 0.000 1.108 463 Y HN 0.227 nan 8.280 nan 0.000 0.521 464 H N -0.718 118.379 119.070 0.045 0.000 2.677 464 H HA -0.163 4.392 4.556 -0.001 0.000 0.321 464 H C -0.913 174.438 175.328 0.038 0.000 1.171 464 H CA 0.237 56.303 56.048 0.030 0.000 1.139 464 H CB -2.028 27.743 29.762 0.015 0.000 1.515 464 H HN 0.273 nan 8.280 nan 0.000 0.423 465 L N 1.403 122.681 121.223 0.092 0.000 2.259 465 L HA 0.313 4.653 4.340 -0.001 0.000 0.288 465 L C -1.871 175.018 176.870 0.031 0.000 1.051 465 L CA -1.995 52.880 54.840 0.058 0.000 0.824 465 L CB 0.925 43.011 42.059 0.045 0.000 1.206 465 L HN -0.022 nan 8.230 nan 0.000 0.429 466 P HA 0.034 nan 4.420 nan 0.000 0.252 466 P C -0.402 176.864 177.300 -0.057 0.000 1.694 466 P CA 0.147 63.238 63.100 -0.015 0.000 1.163 466 P CB 0.041 31.725 31.700 -0.027 0.000 1.934 467 V N 4.041 123.925 119.914 -0.050 0.000 2.539 467 V HA 0.282 4.401 4.120 -0.001 0.000 0.292 467 V C 0.754 176.782 176.094 -0.110 0.000 1.045 467 V CA -0.664 61.589 62.300 -0.078 0.000 0.945 467 V CB 1.689 33.495 31.823 -0.028 0.000 0.993 467 V HN 0.265 nan 8.190 nan 0.000 0.464 468 I N 4.850 125.300 120.570 -0.201 0.000 2.291 468 I HA 0.284 4.454 4.170 -0.001 0.000 0.290 468 I C 0.065 176.168 176.117 -0.024 0.000 1.050 468 I CA -0.089 61.102 61.300 -0.181 0.000 1.245 468 I CB 0.277 38.019 38.000 -0.431 0.000 1.405 468 I HN 0.613 nan 8.210 nan 0.000 0.478 469 N N 6.571 125.272 118.700 0.002 0.000 2.426 469 N HA 0.398 5.138 4.740 -0.001 0.000 0.275 469 N C -0.884 174.646 175.510 0.033 0.000 1.019 469 N CA -0.345 52.727 53.050 0.037 0.000 0.941 469 N CB 2.818 41.307 38.487 0.003 0.000 1.123 469 N HN 0.193 nan 8.380 nan 0.000 0.486 470 V N 2.588 122.547 119.914 0.076 0.000 2.443 470 V HA 0.310 4.429 4.120 -0.001 0.000 0.293 470 V C 0.046 176.113 176.094 -0.045 0.000 1.021 470 V CA -0.795 61.500 62.300 -0.007 0.000 0.848 470 V CB 1.914 33.778 31.823 0.069 0.000 0.998 470 V HN 0.295 nan 8.190 nan 0.000 0.424 471 V N 5.188 125.006 119.914 -0.159 0.000 2.435 471 V HA 0.501 4.621 4.120 -0.001 0.000 0.290 471 V C -0.652 175.361 176.094 -0.135 0.000 1.030 471 V CA -0.437 61.775 62.300 -0.147 0.000 0.881 471 V CB 1.666 33.243 31.823 -0.411 0.000 0.983 471 V HN 0.690 nan 8.190 nan 0.000 0.445 472 F N 2.119 122.039 119.950 -0.049 0.000 2.303 472 F HA 0.351 4.877 4.527 -0.001 0.000 0.368 472 F C 0.961 176.759 175.800 -0.002 0.000 1.105 472 F CA -0.411 57.579 58.000 -0.017 0.000 1.153 472 F CB 1.000 39.990 39.000 -0.016 0.000 1.362 472 F HN 0.342 nan 8.300 nan 0.000 0.511 473 T N 3.248 117.876 114.554 0.122 0.000 2.723 473 T HA 0.106 4.456 4.350 -0.001 0.000 0.297 473 T C 0.914 175.657 174.700 0.072 0.000 0.925 473 T CA -0.391 61.784 62.100 0.124 0.000 1.030 473 T CB 0.116 69.064 68.868 0.134 0.000 0.905 473 T HN 0.547 nan 8.240 nan 0.000 0.502 474 N N 0.321 119.044 118.700 0.038 0.000 2.171 474 N HA 0.048 4.787 4.740 -0.001 0.000 0.212 474 N C 0.352 175.765 175.510 -0.162 0.000 1.184 474 N CA -0.454 52.568 53.050 -0.048 0.000 0.888 474 N CB -0.629 37.827 38.487 -0.051 0.000 1.038 474 N HN 0.578 nan 8.380 nan 0.000 0.517 475 C N 0.896 120.084 119.300 -0.187 0.000 4.235 475 C HA -0.164 4.296 4.460 -0.001 0.000 0.301 475 C C -0.290 174.040 174.990 -1.101 0.000 1.409 475 C CA 0.540 59.285 59.018 -0.455 0.000 2.024 475 C CB -2.973 24.633 27.740 -0.223 0.000 1.286 475 C HN 0.620 nan 8.230 nan 0.000 0.746 476 Q N -2.597 116.527 119.800 -1.127 0.000 2.522 476 Q HA 0.446 4.786 4.340 -0.001 0.000 0.285 476 Q C -1.211 174.536 176.000 -0.423 0.000 0.982 476 Q CA -0.779 54.464 55.803 -0.933 0.000 0.805 476 Q CB 1.265 29.748 28.738 -0.426 0.000 1.457 476 Q HN 0.265 nan 8.270 nan 0.000 0.394 477 Y N 0.890 121.160 120.300 -0.050 0.000 2.802 477 Y HA 0.263 4.813 4.550 -0.001 0.000 0.330 477 Y C 1.194 177.113 175.900 0.032 0.000 1.193 477 Y CA -0.304 57.871 58.100 0.126 0.000 1.427 477 Y CB 0.375 38.946 38.460 0.185 0.000 1.357 477 Y HN 0.946 nan 8.280 nan 0.000 0.501 478 G N 1.377 110.264 108.800 0.146 0.000 2.421 478 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.216 478 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.216 478 G C 1.569 176.546 174.900 0.128 0.000 1.171 478 G CA 0.441 45.581 45.100 0.067 0.000 0.775 478 G HN 0.547 nan 8.290 nan 0.000 0.543 479 F N 1.060 121.027 119.950 0.028 0.000 2.192 479 F HA -0.094 4.433 4.527 -0.001 0.000 0.301 479 F C 2.357 178.172 175.800 0.025 0.000 1.079 479 F CA 0.941 58.951 58.000 0.017 0.000 1.303 479 F CB 0.156 39.163 39.000 0.012 0.000 1.024 479 F HN 0.029 nan 8.300 nan 0.000 0.494 480 I N -0.368 120.303 120.570 0.169 0.000 2.585 480 I HA -0.153 4.017 4.170 -0.001 0.000 0.254 480 I C 2.255 178.398 176.117 0.043 0.000 1.129 480 I CA 0.876 62.234 61.300 0.096 0.000 1.455 480 I CB -1.391 36.694 38.000 0.141 0.000 1.111 480 I HN 0.102 nan 8.210 nan 0.000 0.433 481 K N 1.357 121.748 120.400 -0.015 0.000 2.063 481 K HA -0.224 4.096 4.320 -0.001 0.000 0.208 481 K C 1.567 178.110 176.600 -0.095 0.000 1.048 481 K CA 1.908 58.078 56.287 -0.194 0.000 0.928 481 K CB 0.070 32.339 32.500 -0.386 0.000 0.713 481 K HN 0.167 nan 8.250 nan 0.000 0.442 482 D N 0.652 121.013 120.400 -0.066 0.000 2.144 482 D HA -0.134 4.506 4.640 -0.001 0.000 0.200 482 D C 1.697 177.998 176.300 0.001 0.000 0.978 482 D CA 1.146 55.133 54.000 -0.022 0.000 0.833 482 D CB -0.064 40.690 40.800 -0.077 0.000 0.961 482 D HN 0.418 nan 8.370 nan 0.000 0.470 483 E N 0.561 120.736 120.200 -0.042 0.000 2.077 483 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 483 E C 2.161 178.799 176.600 0.064 0.000 0.989 483 E CA 0.690 57.075 56.400 -0.024 0.000 0.800 483 E CB -0.059 29.614 29.700 -0.046 0.000 0.746 483 E HN 0.371 nan 8.360 nan 0.000 0.452 484 Q N 0.571 120.457 119.800 0.144 0.000 2.124 484 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 484 Q C 2.158 178.300 176.000 0.238 0.000 0.977 484 Q CA 1.019 56.954 55.803 0.220 0.000 0.850 484 Q CB -0.074 28.901 28.738 0.394 0.000 0.901 484 Q HN 0.313 nan 8.270 nan 0.000 0.429 485 E N 0.614 121.044 120.200 0.383 0.000 2.160 485 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 485 E C 0.879 177.542 176.600 0.105 0.000 0.991 485 E CA 1.275 57.837 56.400 0.271 0.000 0.810 485 E CB 0.227 30.128 29.700 0.335 0.000 0.742 485 E HN 0.323 nan 8.360 nan 0.000 0.466 486 D N -1.053 119.397 120.400 0.082 0.000 2.240 486 D HA -0.063 4.576 4.640 -0.001 0.000 0.206 486 D C 1.832 178.146 176.300 0.023 0.000 0.963 486 D CA 1.628 55.652 54.000 0.041 0.000 0.863 486 D CB 0.174 40.987 40.800 0.021 0.000 0.973 486 D HN 0.323 nan 8.370 nan 0.000 0.501 487 T N -2.747 111.823 114.554 0.026 0.000 2.978 487 T HA 0.121 4.470 4.350 -0.001 0.000 0.248 487 T C 0.736 175.439 174.700 0.005 0.000 1.018 487 T CA -0.383 61.724 62.100 0.013 0.000 1.026 487 T CB 0.163 69.041 68.868 0.015 0.000 1.032 487 T HN -0.203 nan 8.240 nan 0.000 0.485 488 N N 2.191 120.893 118.700 0.003 0.000 2.518 488 N HA 0.350 5.090 4.740 -0.001 0.000 0.283 488 N C 0.925 176.403 175.510 -0.054 0.000 1.119 488 N CA -0.489 52.550 53.050 -0.017 0.000 0.983 488 N CB 1.231 39.714 38.487 -0.005 0.000 1.139 488 N HN 0.134 nan 8.380 nan 0.000 0.465 489 Q N 0.378 120.149 119.800 -0.047 0.000 2.204 489 Q HA 0.147 4.487 4.340 -0.001 0.000 0.198 489 Q C -0.111 175.842 176.000 -0.078 0.000 0.946 489 Q CA 1.073 56.843 55.803 -0.055 0.000 0.859 489 Q CB -0.050 28.667 28.738 -0.035 0.000 0.946 489 Q HN 0.523 nan 8.270 nan 0.000 0.474 490 N N 1.557 120.212 118.700 -0.074 0.000 2.478 490 N HA 0.115 4.854 4.740 -0.001 0.000 0.275 490 N C -0.351 175.080 175.510 -0.132 0.000 1.221 490 N CA -0.415 52.588 53.050 -0.078 0.000 0.979 490 N CB 0.717 39.180 38.487 -0.040 0.000 1.202 490 N HN -0.001 nan 8.380 nan 0.000 0.564 491 D N 0.268 120.593 120.400 -0.126 0.000 2.378 491 D HA 0.033 4.672 4.640 -0.001 0.000 0.238 491 D C 0.187 176.423 176.300 -0.108 0.000 1.180 491 D CA 0.434 54.323 54.000 -0.185 0.000 0.895 491 D CB 0.273 41.025 40.800 -0.081 0.000 1.192 491 D HN 0.205 nan 8.370 nan 0.000 0.438 492 F N 0.743 120.702 119.950 0.015 0.000 2.623 492 F HA 0.095 4.622 4.527 -0.001 0.000 0.383 492 F C 0.963 176.781 175.800 0.030 0.000 1.077 492 F CA 0.187 58.200 58.000 0.022 0.000 1.268 492 F CB -0.151 38.859 39.000 0.016 0.000 1.053 492 F HN 0.093 nan 8.300 nan 0.000 0.571 493 I N 1.851 122.568 120.570 0.245 0.000 2.569 493 I HA 0.524 4.694 4.170 -0.001 0.000 0.290 493 I C 0.481 176.699 176.117 0.168 0.000 1.088 493 I CA -0.218 61.178 61.300 0.161 0.000 1.047 493 I CB 1.702 39.769 38.000 0.110 0.000 1.237 493 I HN 0.681 nan 8.210 nan 0.000 0.421 494 G N 4.485 113.381 108.800 0.160 0.000 2.162 494 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.260 494 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.260 494 G C 0.408 175.473 174.900 0.274 0.000 0.976 494 G CA 0.608 45.829 45.100 0.202 0.000 0.655 494 G HN 1.278 nan 8.290 nan 0.000 0.533 495 V N -3.321 116.699 119.914 0.177 0.000 3.528 495 V HA 0.560 4.680 4.120 -0.001 0.000 0.294 495 V C 0.416 176.423 176.094 -0.145 0.000 1.404 495 V CA 0.603 62.980 62.300 0.128 0.000 1.065 495 V CB 0.328 32.184 31.823 0.054 0.000 0.904 495 V HN 0.354 nan 8.190 nan 0.000 0.435 496 E N 1.178 121.288 120.200 -0.151 0.000 2.248 496 E HA 0.708 5.058 4.350 -0.001 0.000 0.267 496 E C -1.262 175.223 176.600 -0.191 0.000 0.877 496 E CA -0.629 55.565 56.400 -0.343 0.000 0.759 496 E CB 2.535 32.111 29.700 -0.207 0.000 1.182 496 E HN 0.441 nan 8.360 nan 0.000 0.418 497 F N -0.581 119.294 119.950 -0.125 0.000 2.869 497 F HA 0.511 5.038 4.527 -0.001 0.000 0.325 497 F C -0.431 175.325 175.800 -0.073 0.000 1.184 497 F CA -1.593 56.345 58.000 -0.103 0.000 0.951 497 F CB 0.295 39.198 39.000 -0.161 0.000 1.421 497 F HN 0.147 nan 8.300 nan 0.000 0.501 498 N N 0.372 119.249 118.700 0.295 0.000 2.482 498 N HA 0.178 4.918 4.740 -0.001 0.000 0.260 498 N C -1.315 174.316 175.510 0.202 0.000 1.236 498 N CA -0.018 53.128 53.050 0.160 0.000 0.938 498 N CB 0.401 38.935 38.487 0.079 0.000 1.128 498 N HN 0.784 nan 8.380 nan 0.000 0.448 499 D N 0.697 121.161 120.400 0.107 0.000 2.382 499 D HA 0.245 4.885 4.640 -0.001 0.000 0.245 499 D C -0.697 175.630 176.300 0.044 0.000 1.120 499 D CA 0.064 54.122 54.000 0.097 0.000 0.890 499 D CB 0.470 41.302 40.800 0.053 0.000 1.201 499 D HN 0.295 nan 8.370 nan 0.000 0.433 500 I N 2.680 123.272 120.570 0.036 0.000 2.406 500 I HA 0.156 4.325 4.170 -0.001 0.000 0.290 500 I C -0.439 175.625 176.117 -0.088 0.000 0.999 500 I CA -0.821 60.408 61.300 -0.119 0.000 1.124 500 I CB 1.842 39.668 38.000 -0.290 0.000 1.289 500 I HN 0.381 nan 8.210 nan 0.000 0.441 501 D N 6.288 126.622 120.400 -0.111 0.000 2.468 501 D HA 0.130 4.770 4.640 -0.001 0.000 0.218 501 D C 0.740 177.001 176.300 -0.064 0.000 1.155 501 D CA -0.141 53.841 54.000 -0.029 0.000 0.924 501 D CB 0.462 41.245 40.800 -0.027 0.000 1.029 501 D HN 0.315 nan 8.370 nan 0.000 0.515 502 F N 1.267 121.215 119.950 -0.003 0.000 2.494 502 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 502 F C 2.617 178.400 175.800 -0.029 0.000 1.106 502 F CA 0.728 58.721 58.000 -0.012 0.000 1.452 502 F CB 0.025 39.026 39.000 0.002 0.000 1.085 502 F HN 0.343 nan 8.300 nan 0.000 0.569 503 S N -0.848 114.920 115.700 0.113 0.000 2.461 503 S HA -0.084 4.386 4.470 -0.001 0.000 0.228 503 S C 1.804 176.393 174.600 -0.019 0.000 1.005 503 S CA 0.421 58.639 58.200 0.030 0.000 0.942 503 S CB -0.234 62.968 63.200 0.004 0.000 0.776 503 S HN 0.364 nan 8.310 nan 0.000 0.514 504 K N 0.672 121.052 120.400 -0.033 0.000 2.116 504 K HA 0.170 4.490 4.320 -0.001 0.000 0.203 504 K C 1.830 178.379 176.600 -0.085 0.000 1.052 504 K CA 0.760 57.009 56.287 -0.064 0.000 0.952 504 K CB -0.218 32.240 32.500 -0.070 0.000 0.729 504 K HN 0.272 nan 8.250 nan 0.000 0.446 505 I N 1.571 122.081 120.570 -0.101 0.000 2.127 505 I HA -0.264 3.906 4.170 -0.001 0.000 0.241 505 I C 2.496 178.583 176.117 -0.050 0.000 1.075 505 I CA 1.509 62.745 61.300 -0.107 0.000 1.334 505 I CB -1.371 36.525 38.000 -0.174 0.000 1.040 505 I HN 0.102 nan 8.210 nan 0.000 0.405 506 A N 0.405 123.226 122.820 0.002 0.000 1.902 506 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 506 A C 2.129 179.672 177.584 -0.068 0.000 1.181 506 A CA 2.105 54.135 52.037 -0.010 0.000 0.623 506 A CB -0.750 18.255 19.000 0.008 0.000 0.818 506 A HN 0.448 nan 8.150 nan 0.000 0.443 507 D N -0.322 120.027 120.400 -0.084 0.000 2.117 507 D HA -0.067 4.573 4.640 -0.001 0.000 0.197 507 D C 2.004 178.188 176.300 -0.194 0.000 0.987 507 D CA 1.675 55.611 54.000 -0.106 0.000 0.829 507 D CB -0.622 40.127 40.800 -0.086 0.000 0.961 507 D HN 0.289 nan 8.370 nan 0.000 0.460 508 G N 0.192 108.873 108.800 -0.197 0.000 2.442 508 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.219 508 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.219 508 G C 1.556 176.199 174.900 -0.428 0.000 1.141 508 G CA 1.470 46.404 45.100 -0.275 0.000 0.763 508 G HN 0.425 nan 8.290 nan 0.000 0.554 509 V N -3.459 116.290 119.914 -0.276 0.000 3.633 509 V HA 0.260 4.379 4.120 -0.001 0.000 0.283 509 V C 0.848 176.860 176.094 -0.136 0.000 1.305 509 V CA 0.164 62.341 62.300 -0.205 0.000 1.153 509 V CB -1.211 30.572 31.823 -0.067 0.000 0.950 509 V HN 0.532 nan 8.190 nan 0.000 0.432 510 H N -0.850 118.199 119.070 -0.035 0.000 2.880 510 H HA -0.143 4.412 4.556 -0.001 0.000 0.304 510 H C -0.067 175.235 175.328 -0.044 0.000 1.259 510 H CA 1.239 57.263 56.048 -0.040 0.000 1.153 510 H CB -1.290 28.449 29.762 -0.038 0.000 1.395 510 H HN 0.723 nan 8.280 nan 0.000 0.420 511 M N 0.579 120.186 119.600 0.012 0.000 2.456 511 M HA 0.303 4.782 4.480 -0.001 0.000 0.324 511 M C -0.140 176.124 176.300 -0.060 0.000 1.124 511 M CA -0.629 54.663 55.300 -0.013 0.000 0.959 511 M CB 1.754 34.344 32.600 -0.017 0.000 1.692 511 M HN 0.148 nan 8.290 nan 0.000 0.444 512 Q N 2.184 121.931 119.800 -0.087 0.000 2.352 512 Q HA 0.594 4.934 4.340 -0.001 0.000 0.260 512 Q C -0.970 174.868 176.000 -0.270 0.000 0.976 512 Q CA -0.103 55.586 55.803 -0.191 0.000 0.881 512 Q CB 1.288 29.911 28.738 -0.193 0.000 1.235 512 Q HN 0.725 nan 8.270 nan 0.000 0.419 513 A N 2.390 124.949 122.820 -0.435 0.000 2.606 513 A HA 0.804 5.124 4.320 -0.001 0.000 0.293 513 A C -1.730 175.478 177.584 -0.627 0.000 1.082 513 A CA -0.644 51.150 52.037 -0.406 0.000 0.685 513 A CB 1.155 20.062 19.000 -0.154 0.000 1.284 513 A HN 0.576 nan 8.150 nan 0.000 0.408 514 F N -0.351 119.564 119.950 -0.059 0.000 2.613 514 F HA 0.827 5.354 4.527 -0.001 0.000 0.314 514 F C 0.134 175.904 175.800 -0.050 0.000 1.075 514 F CA -0.566 57.399 58.000 -0.058 0.000 0.945 514 F CB 2.371 41.317 39.000 -0.090 0.000 1.310 514 F HN 0.655 nan 8.300 nan 0.000 0.467 515 R N 1.541 122.136 120.500 0.159 0.000 2.513 515 R HA 0.840 5.179 4.340 -0.001 0.000 0.301 515 R C -1.921 174.422 176.300 0.071 0.000 0.968 515 R CA -0.643 55.509 56.100 0.086 0.000 0.872 515 R CB 1.689 32.028 30.300 0.064 0.000 1.177 515 R HN 0.648 nan 8.270 nan 0.000 0.444 516 V N 1.403 121.341 119.914 0.040 0.000 3.102 516 V HA 0.670 4.790 4.120 -0.001 0.000 0.312 516 V C -0.421 175.682 176.094 0.014 0.000 1.135 516 V CA -0.331 61.985 62.300 0.026 0.000 1.022 516 V CB 2.191 34.027 31.823 0.021 0.000 1.056 516 V HN 1.078 nan 8.190 nan 0.000 0.436 517 N N -0.560 118.146 118.700 0.009 0.000 2.036 517 N HA 0.279 5.019 4.740 -0.001 0.000 0.224 517 N C -0.595 174.913 175.510 -0.004 0.000 1.381 517 N CA -0.763 52.288 53.050 0.001 0.000 0.746 517 N CB 0.662 39.151 38.487 0.004 0.000 1.213 517 N HN 0.638 nan 8.380 nan 0.000 0.524 518 K N 0.532 120.931 120.400 -0.002 0.000 2.427 518 K HA 0.443 4.763 4.320 -0.001 0.000 0.252 518 K C 0.376 176.972 176.600 -0.007 0.000 0.931 518 K CA -0.763 55.520 56.287 -0.006 0.000 0.793 518 K CB 2.383 34.882 32.500 -0.003 0.000 1.211 518 K HN -0.062 nan 8.250 nan 0.000 0.426 519 I N 2.087 122.649 120.570 -0.014 0.000 2.194 519 I HA -0.328 3.841 4.170 -0.001 0.000 0.246 519 I C 2.250 178.358 176.117 -0.016 0.000 1.093 519 I CA 1.481 62.770 61.300 -0.020 0.000 1.355 519 I CB -0.113 37.873 38.000 -0.024 0.000 1.046 519 I HN 0.725 nan 8.210 nan 0.000 0.413 520 E N 1.295 121.488 120.200 -0.012 0.000 2.401 520 E HA -0.259 4.090 4.350 -0.001 0.000 0.199 520 E C 1.642 178.239 176.600 -0.005 0.000 1.023 520 E CA 1.049 57.443 56.400 -0.010 0.000 0.859 520 E CB -0.381 29.314 29.700 -0.008 0.000 0.780 520 E HN 0.658 nan 8.360 nan 0.000 0.523 521 Q N 0.422 120.223 119.800 0.001 0.000 2.331 521 Q HA 0.117 4.457 4.340 -0.001 0.000 0.203 521 Q C 2.440 178.450 176.000 0.016 0.000 0.944 521 Q CA 0.320 56.124 55.803 0.002 0.000 0.892 521 Q CB -0.002 28.739 28.738 0.004 0.000 0.983 521 Q HN 0.270 nan 8.270 nan 0.000 0.482 522 L N 0.942 122.192 121.223 0.044 0.000 1.978 522 L HA -0.220 4.120 4.340 -0.001 0.000 0.218 522 L C -0.630 176.329 176.870 0.148 0.000 1.075 522 L CA 1.698 56.616 54.840 0.130 0.000 0.767 522 L CB -1.779 40.291 42.059 0.018 0.000 0.890 522 L HN 0.181 nan 8.230 nan 0.000 0.434 523 P HA -0.151 nan 4.420 nan 0.000 0.215 523 P C 0.806 178.131 177.300 0.042 0.000 1.157 523 P CA 1.568 64.689 63.100 0.036 0.000 0.868 523 P CB -0.043 31.657 31.700 -0.000 0.000 0.788 524 D N -1.023 119.374 120.400 -0.004 0.000 2.097 524 D HA -0.112 4.527 4.640 -0.001 0.000 0.197 524 D C 1.942 178.152 176.300 -0.149 0.000 0.984 524 D CA 0.902 54.870 54.000 -0.054 0.000 0.826 524 D CB -0.820 39.943 40.800 -0.062 0.000 0.973 524 D HN -0.101 nan 8.370 nan 0.000 0.460 525 V N 0.157 119.940 119.914 -0.217 0.000 2.343 525 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 525 V C 1.777 177.571 176.094 -0.500 0.000 1.051 525 V CA 1.402 63.358 62.300 -0.572 0.000 1.036 525 V CB -0.467 31.053 31.823 -0.505 0.000 0.654 525 V HN 0.178 nan 8.190 nan 0.000 0.451 526 F N -0.160 119.657 119.950 -0.222 0.000 2.259 526 F HA -0.046 4.481 4.527 -0.001 0.000 0.298 526 F C 2.485 178.234 175.800 -0.085 0.000 1.088 526 F CA 1.081 59.011 58.000 -0.117 0.000 1.358 526 F CB -0.182 38.789 39.000 -0.047 0.000 1.040 526 F HN 0.112 nan 8.300 nan 0.000 0.505 527 E N 0.255 120.490 120.200 0.058 0.000 2.072 527 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 527 E C 2.146 178.737 176.600 -0.016 0.000 0.985 527 E CA 1.039 57.455 56.400 0.026 0.000 0.801 527 E CB -0.483 29.226 29.700 0.014 0.000 0.750 527 E HN 0.535 nan 8.360 nan 0.000 0.452 528 Q N 0.138 119.886 119.800 -0.086 0.000 2.084 528 Q HA -0.084 4.256 4.340 -0.001 0.000 0.202 528 Q C 2.178 178.181 176.000 0.005 0.000 0.978 528 Q CA 1.456 57.233 55.803 -0.044 0.000 0.844 528 Q CB -0.190 28.485 28.738 -0.104 0.000 0.898 528 Q HN 0.219 nan 8.270 nan 0.000 0.426 529 A N 1.549 124.320 122.820 -0.081 0.000 1.902 529 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 529 A C 2.022 179.594 177.584 -0.019 0.000 1.181 529 A CA 1.589 53.618 52.037 -0.013 0.000 0.623 529 A CB -0.437 18.468 19.000 -0.158 0.000 0.818 529 A HN 0.209 nan 8.150 nan 0.000 0.443 530 K N -0.386 120.009 120.400 -0.007 0.000 2.063 530 K HA -0.118 4.202 4.320 -0.001 0.000 0.208 530 K C 2.119 178.705 176.600 -0.024 0.000 1.048 530 K CA 1.266 57.547 56.287 -0.009 0.000 0.928 530 K CB -0.285 32.238 32.500 0.039 0.000 0.713 530 K HN 0.397 nan 8.250 nan 0.000 0.442 531 A N 1.036 123.856 122.820 -0.000 0.000 1.897 531 A HA -0.055 4.265 4.320 -0.001 0.000 0.215 531 A C 2.031 179.623 177.584 0.014 0.000 1.181 531 A CA 1.062 53.102 52.037 0.005 0.000 0.620 531 A CB -0.421 18.598 19.000 0.031 0.000 0.821 531 A HN 0.298 nan 8.150 nan 0.000 0.443 532 I N 0.105 120.700 120.570 0.043 0.000 2.226 532 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 532 I C 2.677 178.802 176.117 0.012 0.000 1.100 532 I CA 1.114 62.450 61.300 0.059 0.000 1.374 532 I CB -0.284 37.764 38.000 0.081 0.000 1.057 532 I HN 0.314 nan 8.210 nan 0.000 0.413 533 A N 0.132 122.931 122.820 -0.034 0.000 2.248 533 A HA -0.133 4.187 4.320 -0.001 0.000 0.210 533 A C 2.052 179.561 177.584 -0.125 0.000 1.174 533 A CA 0.819 52.809 52.037 -0.078 0.000 0.750 533 A CB -0.355 18.569 19.000 -0.127 0.000 0.780 533 A HN 0.412 nan 8.150 nan 0.000 0.478 534 Q N -0.885 118.803 119.800 -0.186 0.000 2.297 534 Q HA -0.113 4.226 4.340 -0.001 0.000 0.204 534 Q C 0.755 176.434 176.000 -0.534 0.000 0.962 534 Q CA 1.766 57.340 55.803 -0.381 0.000 0.879 534 Q CB -0.166 28.246 28.738 -0.544 0.000 0.947 534 Q HN 0.984 nan 8.270 nan 0.000 0.462 535 H N -1.816 117.251 119.070 -0.004 0.000 3.329 535 H HA 0.303 4.858 4.556 -0.001 0.000 0.234 535 H C -0.050 175.288 175.328 0.017 0.000 0.957 535 H CA -0.192 55.857 56.048 0.002 0.000 1.066 535 H CB 1.050 30.811 29.762 -0.001 0.000 1.435 535 H HN 0.009 nan 8.280 nan 0.000 0.513 536 E N 1.843 122.113 120.200 0.116 0.000 2.359 536 E HA 0.289 4.638 4.350 -0.001 0.000 0.266 536 E C -2.663 173.958 176.600 0.034 0.000 0.920 536 E CA -2.446 54.006 56.400 0.086 0.000 0.788 536 E CB 2.481 32.227 29.700 0.077 0.000 1.279 536 E HN -0.017 nan 8.360 nan 0.000 0.438 537 P HA 0.074 nan 4.420 nan 0.000 0.272 537 P C -0.950 176.342 177.300 -0.013 0.000 1.230 537 P CA -0.129 62.967 63.100 -0.006 0.000 0.788 537 P CB 1.055 32.754 31.700 -0.002 0.000 0.949 538 V N 3.041 122.940 119.914 -0.024 0.000 3.087 538 V HA 0.597 4.717 4.120 -0.001 0.000 0.306 538 V C -1.393 174.689 176.094 -0.020 0.000 1.187 538 V CA -1.088 61.199 62.300 -0.021 0.000 0.999 538 V CB 2.330 34.166 31.823 0.021 0.000 1.049 538 V HN 0.477 nan 8.190 nan 0.000 0.431 539 L N 5.381 126.591 121.223 -0.021 0.000 2.386 539 L HA 0.733 5.072 4.340 -0.001 0.000 0.271 539 L C -1.316 175.564 176.870 0.016 0.000 0.993 539 L CA -0.378 54.455 54.840 -0.011 0.000 0.819 539 L CB 1.840 43.898 42.059 -0.001 0.000 1.294 539 L HN 0.669 nan 8.230 nan 0.000 0.414 540 I N 3.357 123.912 120.570 -0.025 0.000 2.433 540 I HA 0.343 4.513 4.170 -0.001 0.000 0.292 540 I C -1.170 174.913 176.117 -0.058 0.000 1.001 540 I CA -0.566 60.713 61.300 -0.036 0.000 1.119 540 I CB 1.879 39.731 38.000 -0.247 0.000 1.289 540 I HN 0.513 nan 8.210 nan 0.000 0.438 541 D N 5.825 126.219 120.400 -0.010 0.000 2.427 541 D HA 0.455 5.094 4.640 -0.001 0.000 0.226 541 D C -0.508 175.774 176.300 -0.031 0.000 1.076 541 D CA -0.236 53.760 54.000 -0.007 0.000 0.849 541 D CB 1.605 42.457 40.800 0.087 0.000 1.052 541 D HN 0.594 nan 8.370 nan 0.000 0.515 542 A N 4.081 126.835 122.820 -0.109 0.000 2.316 542 A HA 0.430 4.750 4.320 -0.001 0.000 0.311 542 A C -0.096 177.459 177.584 -0.049 0.000 1.339 542 A CA -0.626 51.347 52.037 -0.107 0.000 0.960 542 A CB 0.511 19.361 19.000 -0.251 0.000 1.152 542 A HN 0.396 nan 8.150 nan 0.000 0.547 543 V N 5.482 125.390 119.914 -0.009 0.000 2.405 543 V HA 0.271 4.390 4.120 -0.001 0.000 0.264 543 V C 0.331 176.421 176.094 -0.006 0.000 1.048 543 V CA 0.276 62.581 62.300 0.009 0.000 0.966 543 V CB -0.357 31.476 31.823 0.016 0.000 1.015 543 V HN 0.737 nan 8.190 nan 0.000 0.477 544 I N 2.200 122.770 120.570 -0.001 0.000 2.910 544 I HA 0.783 4.953 4.170 -0.001 0.000 0.310 544 I C 0.551 176.645 176.117 -0.037 0.000 1.043 544 I CA -0.683 60.605 61.300 -0.020 0.000 1.053 544 I CB 2.200 40.203 38.000 0.006 0.000 1.242 544 I HN 0.542 nan 8.210 nan 0.000 0.452 545 T N 0.015 114.532 114.554 -0.062 0.000 2.860 545 T HA 0.343 4.692 4.350 -0.001 0.000 0.299 545 T C 0.835 175.491 174.700 -0.073 0.000 1.045 545 T CA -0.216 61.846 62.100 -0.064 0.000 1.071 545 T CB 1.065 69.895 68.868 -0.063 0.000 0.985 545 T HN 0.957 nan 8.240 nan 0.000 0.537 546 G N 1.204 109.963 108.800 -0.069 0.000 3.530 546 G HA2 0.209 4.169 3.960 -0.001 0.000 0.269 546 G HA3 0.209 4.169 3.960 -0.001 0.000 0.269 546 G C -0.164 174.704 174.900 -0.053 0.000 1.314 546 G CA -0.561 44.494 45.100 -0.075 0.000 1.441 546 G HN 0.752 nan 8.290 nan 0.000 0.595 547 D N 0.540 120.915 120.400 -0.042 0.000 2.350 547 D HA 0.104 4.744 4.640 -0.001 0.000 0.249 547 D C 0.532 176.866 176.300 0.057 0.000 1.119 547 D CA -0.051 53.954 54.000 0.008 0.000 0.886 547 D CB 1.616 42.434 40.800 0.030 0.000 1.195 547 D HN 0.189 nan 8.370 nan 0.000 0.437 548 R N 2.958 123.522 120.500 0.106 0.000 2.401 548 R HA 0.194 4.534 4.340 -0.001 0.000 0.299 548 R C -2.310 174.157 176.300 0.279 0.000 1.064 548 R CA -1.059 55.142 56.100 0.168 0.000 1.000 548 R CB 0.359 30.780 30.300 0.201 0.000 0.973 548 R HN 0.112 nan 8.270 nan 0.000 0.438 549 P HA -0.036 nan 4.420 nan 0.000 0.271 549 P C -0.607 176.693 177.300 0.000 0.000 1.218 549 P CA -0.330 62.904 63.100 0.223 0.000 0.780 549 P CB 0.503 32.328 31.700 0.208 0.000 0.901 550 L N 5.184 126.322 121.223 -0.141 0.000 2.700 550 L HA 0.052 4.392 4.340 -0.001 0.000 0.276 550 L C -1.835 174.824 176.870 -0.351 0.000 1.200 550 L CA -1.052 53.396 54.840 -0.654 0.000 0.951 550 L CB -0.272 41.626 42.059 -0.269 0.000 1.226 550 L HN 0.295 nan 8.230 nan 0.000 0.489 551 P HA 0.051 nan 4.420 nan 0.000 0.271 551 P C 0.204 177.463 177.300 -0.068 0.000 1.380 551 P CA -0.118 62.894 63.100 -0.147 0.000 0.992 551 P CB 1.273 32.917 31.700 -0.094 0.000 1.230 552 A N 4.706 127.481 122.820 -0.076 0.000 2.076 552 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 552 A C 1.810 179.314 177.584 -0.133 0.000 1.160 552 A CA 1.366 53.330 52.037 -0.122 0.000 0.653 552 A CB -0.628 18.270 19.000 -0.171 0.000 0.801 552 A HN 0.545 nan 8.150 nan 0.000 0.455 553 E N 0.183 120.316 120.200 -0.110 0.000 2.489 553 E HA -0.008 4.342 4.350 -0.001 0.000 0.193 553 E C -0.022 176.526 176.600 -0.086 0.000 1.057 553 E CA 0.446 56.780 56.400 -0.110 0.000 0.866 553 E CB -0.092 29.539 29.700 -0.115 0.000 0.916 553 E HN 0.542 nan 8.360 nan 0.000 0.500 554 K N 1.399 121.765 120.400 -0.056 0.000 3.084 554 K HA 0.357 4.677 4.320 -0.001 0.000 0.172 554 K C -0.465 176.092 176.600 -0.072 0.000 1.078 554 K CA -0.281 55.987 56.287 -0.033 0.000 0.875 554 K CB 0.925 33.449 32.500 0.039 0.000 1.064 554 K HN 0.005 nan 8.250 nan 0.000 0.597 555 L N 1.721 122.813 121.223 -0.218 0.000 2.380 555 L HA 0.264 4.604 4.340 -0.001 0.000 0.273 555 L C 0.587 177.052 176.870 -0.675 0.000 1.138 555 L CA -0.184 54.344 54.840 -0.519 0.000 0.832 555 L CB 0.385 42.227 42.059 -0.362 0.000 1.124 555 L HN 0.146 nan 8.230 nan 0.000 0.454 556 R N 5.562 125.320 120.500 -1.236 0.000 2.585 556 R HA 0.327 4.667 4.340 -0.001 0.000 0.278 556 R C -0.069 175.870 176.300 -0.602 0.000 1.663 556 R CA -0.070 55.625 56.100 -0.675 0.000 1.592 556 R CB 0.689 30.743 30.300 -0.410 0.000 1.200 556 R HN 0.707 nan 8.270 nan 0.000 0.611 557 L N -0.832 120.141 121.223 -0.416 0.000 2.993 557 L HA 0.265 4.604 4.340 -0.001 0.000 0.264 557 L C 0.161 176.940 176.870 -0.152 0.000 1.154 557 L CA 0.055 54.753 54.840 -0.236 0.000 0.972 557 L CB 0.767 42.703 42.059 -0.206 0.000 1.373 557 L HN 0.148 nan 8.230 nan 0.000 0.564 558 D N -0.333 119.975 120.400 -0.153 0.000 2.280 558 D HA 0.167 4.806 4.640 -0.001 0.000 0.236 558 D C 0.902 177.148 176.300 -0.090 0.000 1.082 558 D CA 0.013 53.946 54.000 -0.111 0.000 0.834 558 D CB 1.990 42.727 40.800 -0.105 0.000 1.100 558 D HN -0.121 nan 8.370 nan 0.000 0.486 559 S N 2.338 117.995 115.700 -0.073 0.000 2.440 559 S HA -0.149 4.321 4.470 -0.001 0.000 0.238 559 S C 1.654 176.223 174.600 -0.050 0.000 1.010 559 S CA 1.013 59.179 58.200 -0.056 0.000 0.972 559 S CB 0.122 63.292 63.200 -0.049 0.000 0.774 559 S HN 0.615 nan 8.310 nan 0.000 0.501 560 A N 0.171 122.959 122.820 -0.054 0.000 2.218 560 A HA 0.367 4.687 4.320 -0.001 0.000 0.209 560 A C 1.793 179.348 177.584 -0.048 0.000 1.168 560 A CA 0.322 52.332 52.037 -0.046 0.000 0.804 560 A CB -0.206 18.768 19.000 -0.043 0.000 0.834 560 A HN 0.484 nan 8.150 nan 0.000 0.482 561 M N -1.314 118.250 119.600 -0.060 0.000 2.329 561 M HA 0.169 4.649 4.480 -0.001 0.000 0.281 561 M C -0.456 175.806 176.300 -0.065 0.000 1.088 561 M CA 0.345 55.608 55.300 -0.062 0.000 1.108 561 M CB 0.904 33.459 32.600 -0.076 0.000 1.657 561 M HN 0.168 nan 8.290 nan 0.000 0.579 562 S N 0.485 116.143 115.700 -0.070 0.000 2.548 562 S HA 0.514 4.984 4.470 -0.001 0.000 0.286 562 S C -0.126 174.445 174.600 -0.048 0.000 1.098 562 S CA -0.997 57.163 58.200 -0.067 0.000 0.930 562 S CB 1.956 65.095 63.200 -0.102 0.000 1.070 562 S HN 0.328 nan 8.310 nan 0.000 0.480 563 S N 1.310 116.991 115.700 -0.032 0.000 2.614 563 S HA 0.555 5.025 4.470 -0.001 0.000 0.265 563 S C 1.388 175.977 174.600 -0.017 0.000 1.303 563 S CA -0.296 57.890 58.200 -0.022 0.000 1.000 563 S CB 0.623 63.814 63.200 -0.014 0.000 0.935 563 S HN 0.942 nan 8.310 nan 0.000 0.551 564 A N 1.208 124.020 122.820 -0.013 0.000 2.019 564 A HA 0.136 4.456 4.320 -0.001 0.000 0.219 564 A C 2.297 179.885 177.584 0.006 0.000 1.164 564 A CA 1.623 53.656 52.037 -0.006 0.000 0.644 564 A CB -1.552 17.444 19.000 -0.007 0.000 0.805 564 A HN 1.244 nan 8.150 nan 0.000 0.449 565 A N 0.211 123.035 122.820 0.006 0.000 1.898 565 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 565 A C 1.768 179.369 177.584 0.029 0.000 1.181 565 A CA 1.738 53.783 52.037 0.014 0.000 0.620 565 A CB -0.481 18.524 19.000 0.009 0.000 0.819 565 A HN 0.468 nan 8.150 nan 0.000 0.442 566 D N 0.154 120.570 120.400 0.026 0.000 2.117 566 D HA -0.107 4.533 4.640 -0.001 0.000 0.198 566 D C 1.874 178.222 176.300 0.079 0.000 0.982 566 D CA 1.266 55.294 54.000 0.047 0.000 0.828 566 D CB -0.362 40.449 40.800 0.017 0.000 0.967 566 D HN 0.537 nan 8.370 nan 0.000 0.464 567 I N 1.165 121.761 120.570 0.042 0.000 2.315 567 I HA -0.183 3.986 4.170 -0.001 0.000 0.248 567 I C 2.323 178.510 176.117 0.117 0.000 1.117 567 I CA 0.848 62.184 61.300 0.060 0.000 1.404 567 I CB -0.114 37.887 38.000 0.002 0.000 1.071 567 I HN -0.145 nan 8.210 nan 0.000 0.419 568 E N 1.117 121.362 120.200 0.074 0.000 2.077 568 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 568 E C 2.357 179.001 176.600 0.073 0.000 0.989 568 E CA 1.552 57.990 56.400 0.065 0.000 0.800 568 E CB -0.312 29.409 29.700 0.035 0.000 0.746 568 E HN 0.506 nan 8.360 nan 0.000 0.452 569 A N 0.591 123.457 122.820 0.077 0.000 1.873 569 A HA -0.151 4.169 4.320 -0.001 0.000 0.215 569 A C 2.131 179.759 177.584 0.073 0.000 1.186 569 A CA 1.138 53.207 52.037 0.053 0.000 0.616 569 A CB -0.842 18.189 19.000 0.053 0.000 0.823 569 A HN 0.267 nan 8.150 nan 0.000 0.442 570 F N 0.813 120.781 119.950 0.030 0.000 2.069 570 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 570 F C 2.251 178.124 175.800 0.122 0.000 1.113 570 F CA 2.337 60.409 58.000 0.120 0.000 1.214 570 F CB -0.164 38.916 39.000 0.134 0.000 0.978 570 F HN 0.113 nan 8.300 nan 0.000 0.474 571 K N -0.429 120.136 120.400 0.275 0.000 2.063 571 K HA -0.279 4.041 4.320 -0.001 0.000 0.208 571 K C 2.104 178.730 176.600 0.042 0.000 1.048 571 K CA 1.778 58.162 56.287 0.160 0.000 0.928 571 K CB -0.362 32.222 32.500 0.141 0.000 0.713 571 K HN 0.287 nan 8.250 nan 0.000 0.442 572 Q N 1.174 120.976 119.800 0.004 0.000 2.020 572 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 572 Q C 2.049 177.976 176.000 -0.120 0.000 0.982 572 Q CA 1.666 57.446 55.803 -0.039 0.000 0.838 572 Q CB -0.098 28.617 28.738 -0.037 0.000 0.899 572 Q HN 0.143 nan 8.270 nan 0.000 0.423 573 R N -1.379 118.961 120.500 -0.266 0.000 2.081 573 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 573 R C 0.944 176.927 176.300 -0.528 0.000 1.131 573 R CA 1.480 57.289 56.100 -0.486 0.000 0.960 573 R CB -0.099 29.710 30.300 -0.818 0.000 0.856 573 R HN 0.345 nan 8.270 nan 0.000 0.436 574 Y N 0.946 121.150 120.300 -0.161 0.000 2.532 574 Y HA 0.191 4.741 4.550 -0.001 0.000 0.283 574 Y C -0.197 175.727 175.900 0.039 0.000 1.181 574 Y CA -0.192 57.836 58.100 -0.121 0.000 1.256 574 Y CB -0.044 38.191 38.460 -0.376 0.000 1.112 574 Y HN 0.150 nan 8.280 nan 0.000 0.521 575 E N -0.598 119.672 120.200 0.116 0.000 2.403 575 E HA -0.261 4.088 4.350 -0.001 0.000 0.241 575 E C 0.553 177.314 176.600 0.269 0.000 1.201 575 E CA 0.433 56.919 56.400 0.142 0.000 0.721 575 E CB -1.174 28.590 29.700 0.106 0.000 1.245 575 E HN 0.481 nan 8.360 nan 0.000 0.392 576 A N 0.571 123.509 122.820 0.198 0.000 2.842 576 A HA 0.208 4.528 4.320 -0.001 0.000 0.298 576 A C 1.327 178.976 177.584 0.109 0.000 1.293 576 A CA -0.298 51.809 52.037 0.118 0.000 0.959 576 A CB 0.286 19.275 19.000 -0.019 0.000 1.119 576 A HN 0.135 nan 8.150 nan 0.000 0.564 577 Q N 0.336 120.204 119.800 0.114 0.000 2.124 577 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 577 Q C 0.572 176.617 176.000 0.076 0.000 0.977 577 Q CA 1.721 57.575 55.803 0.084 0.000 0.850 577 Q CB 0.106 28.883 28.738 0.066 0.000 0.901 577 Q HN 0.588 nan 8.270 nan 0.000 0.429 578 D N -0.574 119.881 120.400 0.092 0.000 2.358 578 D HA 0.099 4.738 4.640 -0.001 0.000 0.224 578 D C -0.363 175.990 176.300 0.089 0.000 1.123 578 D CA 0.057 54.106 54.000 0.083 0.000 0.833 578 D CB 0.374 41.226 40.800 0.086 0.000 0.946 578 D HN 0.225 nan 8.370 nan 0.000 0.505 579 L N 1.406 122.670 121.223 0.068 0.000 2.349 579 L HA 0.146 4.486 4.340 -0.001 0.000 0.275 579 L C 0.501 177.403 176.870 0.053 0.000 1.115 579 L CA -0.176 54.700 54.840 0.060 0.000 0.820 579 L CB 1.108 43.162 42.059 -0.008 0.000 1.135 579 L HN -0.254 nan 8.230 nan 0.000 0.445 580 Q N 4.350 124.195 119.800 0.075 0.000 2.306 580 Q HA 0.474 4.814 4.340 -0.001 0.000 0.265 580 Q C -2.289 173.701 176.000 -0.017 0.000 1.022 580 Q CA -1.911 53.884 55.803 -0.013 0.000 0.853 580 Q CB 2.076 30.751 28.738 -0.104 0.000 1.327 580 Q HN 0.313 nan 8.270 nan 0.000 0.449 581 P HA -0.008 nan 4.420 nan 0.000 0.272 581 P C 0.764 178.028 177.300 -0.060 0.000 1.240 581 P CA -0.363 62.687 63.100 -0.083 0.000 0.791 581 P CB 0.947 32.580 31.700 -0.111 0.000 0.978 582 L N 2.716 123.944 121.223 0.009 0.000 2.042 582 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 582 L C 2.485 179.386 176.870 0.052 0.000 1.076 582 L CA 2.667 57.572 54.840 0.107 0.000 0.749 582 L CB -1.660 40.423 42.059 0.041 0.000 0.893 582 L HN 0.471 nan 8.230 nan 0.000 0.432 583 S N -2.406 113.281 115.700 -0.021 0.000 2.402 583 S HA -0.252 4.218 4.470 -0.001 0.000 0.233 583 S C 1.857 176.402 174.600 -0.092 0.000 1.030 583 S CA 1.728 59.910 58.200 -0.030 0.000 1.003 583 S CB -1.474 61.698 63.200 -0.046 0.000 0.813 583 S HN 0.578 nan 8.310 nan 0.000 0.477 584 T N 1.348 115.759 114.554 -0.237 0.000 2.720 584 T HA -0.091 4.259 4.350 -0.001 0.000 0.268 584 T C 1.426 175.910 174.700 -0.360 0.000 1.037 584 T CA 1.826 63.703 62.100 -0.372 0.000 1.144 584 T CB -0.532 67.983 68.868 -0.590 0.000 0.864 584 T HN 0.598 nan 8.240 nan 0.000 0.444 585 Y N 0.976 121.302 120.300 0.043 0.000 2.286 585 Y HA 0.205 4.755 4.550 -0.001 0.000 0.293 585 Y C 2.218 178.248 175.900 0.217 0.000 1.124 585 Y CA -0.096 58.087 58.100 0.137 0.000 1.178 585 Y CB -0.815 37.734 38.460 0.149 0.000 1.010 585 Y HN 0.122 nan 8.280 nan 0.000 0.536 586 L N 0.182 121.561 121.223 0.260 0.000 1.989 586 L HA -0.284 4.056 4.340 -0.001 0.000 0.211 586 L C 2.308 179.277 176.870 0.166 0.000 1.071 586 L CA 1.784 56.767 54.840 0.238 0.000 0.749 586 L CB -0.635 41.528 42.059 0.174 0.000 0.890 586 L HN 0.171 nan 8.230 nan 0.000 0.431 587 K N -0.248 120.189 120.400 0.063 0.000 2.044 587 K HA -0.294 4.025 4.320 -0.001 0.000 0.210 587 K C 2.123 178.705 176.600 -0.029 0.000 1.049 587 K CA 1.791 58.084 56.287 0.009 0.000 0.927 587 K CB -0.292 32.186 32.500 -0.037 0.000 0.713 587 K HN 0.319 nan 8.250 nan 0.000 0.443 588 Q N 0.132 119.878 119.800 -0.089 0.000 2.096 588 Q HA -0.163 4.176 4.340 -0.001 0.000 0.204 588 Q C 1.018 176.755 176.000 -0.437 0.000 0.982 588 Q CA 1.616 57.246 55.803 -0.287 0.000 0.850 588 Q CB 0.039 28.563 28.738 -0.356 0.000 0.901 588 Q HN 0.277 nan 8.270 nan 0.000 0.422 589 F N -0.823 119.173 119.950 0.077 0.000 2.660 589 F HA 0.324 4.850 4.527 -0.001 0.000 0.302 589 F C 1.112 176.958 175.800 0.077 0.000 1.103 589 F CA 0.518 58.567 58.000 0.081 0.000 1.340 589 F CB 0.872 39.933 39.000 0.101 0.000 1.048 589 F HN 0.218 nan 8.300 nan 0.000 0.551 590 G N 1.135 110.022 108.800 0.143 0.000 2.171 590 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.238 590 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.238 590 G C -0.279 174.695 174.900 0.124 0.000 1.039 590 G CA -0.269 44.896 45.100 0.108 0.000 0.759 590 G HN 0.308 nan 8.290 nan 0.000 0.501 591 L N 0.718 122.028 121.223 0.146 0.000 2.333 591 L HA 0.580 4.920 4.340 -0.001 0.000 0.269 591 L C 0.524 177.450 176.870 0.093 0.000 1.010 591 L CA -1.117 53.802 54.840 0.132 0.000 0.818 591 L CB 1.357 43.533 42.059 0.194 0.000 1.306 591 L HN 0.400 nan 8.230 nan 0.000 0.430 592 D N -0.206 120.233 120.400 0.065 0.000 2.506 592 D HA 0.237 4.877 4.640 -0.001 0.000 0.272 592 D C -1.003 175.327 176.300 0.050 0.000 1.214 592 D CA -0.396 53.630 54.000 0.043 0.000 1.067 592 D CB 1.958 42.771 40.800 0.023 0.000 1.117 592 D HN 0.463 nan 8.370 nan 0.000 0.578 593 D N 0.000 120.418 120.400 0.030 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 593 D CA 0.000 54.018 54.000 0.029 0.000 0.868 593 D CB 0.000 40.809 40.800 0.016 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683