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 1ozh_1_A DATA FIRST_RESID 7 DATA SEQUENCE VRQWAHGADL VVSQLEAQGV RQVFGIPGAK IDKVFDSLLD SSIRIIPVRH DATA SEQUENCE EANAAFMAAA VGRITGKAGV ALVTSGPGCS NLITGMATAN SEGDPVVALG DATA SEQUENCE GAVKRADKXX XXXXSMDTVA MFSPVTKYAI EVTAPDALAE VVSNAFRAAE DATA SEQUENCE QGRPGSAFVS LPQDVVDGPV SGKVLPASGA PQMGAAPDDA IDQVAKLIAQ DATA SEQUENCE AKNPIFLLGL MASQPENSKA LRRLLETSHI PVTSTYQAAG AVNQDNFSRF DATA SEQUENCE AGRVGLFNNQ AGDRLLQLAD LVICIGYSPV EYEPAMWNSG NATLVHIDVL DATA SEQUENCE PAYEERNYTP DVELVGDIAG TLNKLAQNID HRLVLSPQAA EILRDRQHQR DATA SEQUENCE ELLDRXGAQL NQFALHPLRI VRAMQDIVNS DVTLTVDMGS FHIWIARYLY DATA SEQUENCE TFRARQVMIS NGQQTMGVAL PWAIGAWLVN PERKVVSVSG DGGFLQSSME DATA SEQUENCE LETAVRLKAN VLHLIWVDNG YNMVAIQEEK KYQRLSGVEF GPMDFKAYAE DATA SEQUENCE SFGAKGFAVE SAEALEPTLR AAMDVDGPAV VAIPVDYRDN PLLMGQLHLS DATA SEQUENCE QI 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.104 176.094 0.016 0.000 1.182 7 V CA 0.000 62.343 62.300 0.071 0.000 1.235 7 V CB 0.000 31.870 31.823 0.079 0.000 1.184 8 R N 1.366 121.872 120.500 0.010 0.000 2.828 8 R HA 0.972 5.392 4.340 0.133 0.000 0.264 8 R C -0.353 175.732 176.300 -0.358 0.000 1.022 8 R CA -0.628 55.310 56.100 -0.270 0.000 1.021 8 R CB 1.232 31.185 30.300 -0.578 0.000 1.163 8 R HN 1.300 nan 8.270 nan 0.000 0.494 9 Q N 0.447 119.985 119.800 -0.435 0.000 2.303 9 Q HA 0.445 4.864 4.340 0.133 0.000 0.257 9 Q C -1.796 173.952 176.000 -0.420 0.000 0.941 9 Q CA -0.062 55.579 55.803 -0.271 0.000 0.931 9 Q CB 0.750 29.391 28.738 -0.161 0.000 1.215 9 Q HN 0.641 nan 8.270 nan 0.000 0.437 10 W N 3.021 124.302 121.300 -0.031 0.000 2.475 10 W HA 0.581 5.322 4.660 0.135 0.000 0.317 10 W C 0.682 177.152 176.519 -0.082 0.000 1.046 10 W CA -0.729 56.594 57.345 -0.037 0.000 1.215 10 W CB 1.374 30.827 29.460 -0.012 0.000 1.335 10 W HN 0.814 nan 8.180 nan 0.000 0.471 11 A N 1.923 124.772 122.820 0.049 0.000 1.969 11 A HA -0.052 4.348 4.320 0.133 0.000 0.218 11 A C 0.362 177.706 177.584 -0.399 0.000 1.169 11 A CA 1.177 53.082 52.037 -0.219 0.000 0.635 11 A CB -0.419 18.377 19.000 -0.339 0.000 0.810 11 A HN 0.621 nan 8.150 nan 0.000 0.445 12 H N -2.425 116.744 119.070 0.164 0.000 2.667 12 H HA 0.350 4.986 4.556 0.133 0.000 0.353 12 H C 1.264 176.635 175.328 0.072 0.000 1.072 12 H CA -0.234 55.875 56.048 0.102 0.000 1.214 12 H CB 1.395 31.204 29.762 0.079 0.000 1.600 12 H HN 0.136 nan 8.280 nan 0.000 0.527 13 G N 1.871 110.747 108.800 0.126 0.000 2.450 13 G HA2 -0.283 3.757 3.960 0.133 0.000 0.220 13 G HA3 -0.283 3.757 3.960 0.133 0.000 0.220 13 G C 1.611 176.473 174.900 -0.063 0.000 1.130 13 G CA 0.971 46.063 45.100 -0.013 0.000 0.760 13 G HN 0.662 nan 8.290 nan 0.000 0.557 14 A N 1.236 124.068 122.820 0.020 0.000 1.917 14 A HA -0.139 4.261 4.320 0.133 0.000 0.219 14 A C 2.092 179.650 177.584 -0.044 0.000 1.182 14 A CA 2.135 54.162 52.037 -0.018 0.000 0.633 14 A CB -0.423 18.577 19.000 -0.000 0.000 0.819 14 A HN 0.337 nan 8.150 nan 0.000 0.448 15 D N -0.554 119.866 120.400 0.034 0.000 2.144 15 D HA -0.123 4.597 4.640 0.133 0.000 0.199 15 D C 1.858 177.994 176.300 -0.273 0.000 0.984 15 D CA 1.343 55.378 54.000 0.058 0.000 0.834 15 D CB -0.342 40.678 40.800 0.366 0.000 0.955 15 D HN 0.384 nan 8.370 nan 0.000 0.465 16 L N 1.016 121.843 121.223 -0.660 0.000 2.017 16 L HA -0.135 4.284 4.340 0.133 0.000 0.208 16 L C 2.297 178.828 176.870 -0.565 0.000 1.073 16 L CA 1.295 55.416 54.840 -1.199 0.000 0.745 16 L CB -0.593 40.744 42.059 -1.203 0.000 0.894 16 L HN -0.163 nan 8.230 nan 0.000 0.432 17 V N -1.023 118.689 119.914 -0.337 0.000 2.287 17 V HA -0.311 3.888 4.120 0.133 0.000 0.248 17 V C 2.546 178.540 176.094 -0.167 0.000 1.053 17 V CA 1.789 63.967 62.300 -0.203 0.000 1.027 17 V CB -0.628 31.112 31.823 -0.137 0.000 0.646 17 V HN 0.359 nan 8.190 nan 0.000 0.447 18 V N -0.187 119.637 119.914 -0.149 0.000 2.343 18 V HA -0.252 3.948 4.120 0.133 0.000 0.247 18 V C 2.555 178.586 176.094 -0.105 0.000 1.051 18 V CA 2.362 64.599 62.300 -0.105 0.000 1.036 18 V CB -0.698 31.089 31.823 -0.061 0.000 0.654 18 V HN 0.568 nan 8.190 nan 0.000 0.451 19 S N -0.685 114.937 115.700 -0.129 0.000 2.368 19 S HA -0.290 4.259 4.470 0.133 0.000 0.225 19 S C 2.003 176.530 174.600 -0.121 0.000 1.030 19 S CA 1.737 59.888 58.200 -0.082 0.000 0.999 19 S CB -0.354 62.816 63.200 -0.049 0.000 0.844 19 S HN 0.584 nan 8.310 nan 0.000 0.459 20 Q N 1.294 120.987 119.800 -0.178 0.000 2.124 20 Q HA 0.038 4.457 4.340 0.133 0.000 0.202 20 Q C 1.900 177.764 176.000 -0.227 0.000 0.977 20 Q CA 1.340 57.033 55.803 -0.182 0.000 0.850 20 Q CB -0.511 28.124 28.738 -0.171 0.000 0.901 20 Q HN 0.526 nan 8.270 nan 0.000 0.429 21 L N -0.107 121.006 121.223 -0.184 0.000 2.017 21 L HA -0.174 4.246 4.340 0.133 0.000 0.208 21 L C 2.272 179.022 176.870 -0.199 0.000 1.073 21 L CA 1.595 56.317 54.840 -0.198 0.000 0.745 21 L CB -0.486 41.521 42.059 -0.088 0.000 0.894 21 L HN 0.314 nan 8.230 nan 0.000 0.432 22 E N 0.263 120.382 120.200 -0.135 0.000 2.110 22 E HA -0.210 4.220 4.350 0.133 0.000 0.193 22 E C 2.266 178.793 176.600 -0.122 0.000 0.988 22 E CA 1.099 57.437 56.400 -0.104 0.000 0.804 22 E CB -0.172 29.492 29.700 -0.060 0.000 0.745 22 E HN 0.487 nan 8.360 nan 0.000 0.458 23 A N 1.197 123.934 122.820 -0.139 0.000 2.024 23 A HA -0.200 4.200 4.320 0.133 0.000 0.220 23 A C 2.001 179.471 177.584 -0.190 0.000 1.164 23 A CA 1.144 53.099 52.037 -0.136 0.000 0.643 23 A CB -0.160 18.764 19.000 -0.128 0.000 0.806 23 A HN 0.113 nan 8.150 nan 0.000 0.451 24 Q N -1.754 117.868 119.800 -0.298 0.000 2.432 24 Q HA 0.127 4.547 4.340 0.133 0.000 0.205 24 Q C 1.280 177.148 176.000 -0.220 0.000 0.945 24 Q CA 0.866 56.438 55.803 -0.385 0.000 0.924 24 Q CB 0.072 28.283 28.738 -0.878 0.000 1.016 24 Q HN 1.014 nan 8.270 nan 0.000 0.503 25 G N 0.677 109.382 108.800 -0.157 0.000 2.132 25 G HA2 -0.244 3.796 3.960 0.133 0.000 0.234 25 G HA3 -0.244 3.796 3.960 0.133 0.000 0.234 25 G C 0.190 175.051 174.900 -0.065 0.000 0.989 25 G CA 0.192 45.237 45.100 -0.091 0.000 0.676 25 G HN 0.201 nan 8.290 nan 0.000 0.522 26 V N 0.614 120.483 119.914 -0.075 0.000 2.557 26 V HA 0.104 4.304 4.120 0.133 0.000 0.301 26 V C 1.820 177.888 176.094 -0.043 0.000 1.026 26 V CA 1.087 63.371 62.300 -0.026 0.000 1.137 26 V CB 0.923 32.740 31.823 -0.009 0.000 0.917 26 V HN 0.507 nan 8.190 nan 0.000 0.484 27 R N 2.515 122.991 120.500 -0.039 0.000 2.189 27 R HA 0.122 4.542 4.340 0.133 0.000 0.203 27 R C 0.469 176.710 176.300 -0.098 0.000 1.012 27 R CA 0.341 56.406 56.100 -0.058 0.000 1.015 27 R CB 0.275 30.547 30.300 -0.046 0.000 0.938 27 R HN 0.876 nan 8.270 nan 0.000 0.472 28 Q N -0.195 119.518 119.800 -0.145 0.000 2.534 28 Q HA 0.352 4.771 4.340 0.133 0.000 0.290 28 Q C -1.437 174.348 176.000 -0.357 0.000 0.991 28 Q CA -0.801 54.840 55.803 -0.270 0.000 0.783 28 Q CB 1.858 30.365 28.738 -0.384 0.000 1.470 28 Q HN -0.130 nan 8.270 nan 0.000 0.406 29 V N 1.662 121.333 119.914 -0.405 0.000 2.656 29 V HA 0.586 4.785 4.120 0.133 0.000 0.307 29 V C -1.086 174.781 176.094 -0.377 0.000 1.051 29 V CA -0.553 61.556 62.300 -0.320 0.000 0.893 29 V CB 1.490 33.174 31.823 -0.232 0.000 0.999 29 V HN 0.676 nan 8.190 nan 0.000 0.426 30 F N 2.477 122.454 119.950 0.044 0.000 2.443 30 F HA 0.921 5.529 4.527 0.136 0.000 0.335 30 F C 0.825 176.689 175.800 0.106 0.000 1.104 30 F CA -0.014 58.040 58.000 0.090 0.000 1.013 30 F CB 2.109 41.172 39.000 0.105 0.000 1.136 30 F HN 0.746 nan 8.300 nan 0.000 0.470 31 G N 1.988 110.996 108.800 0.347 0.000 2.317 31 G HA2 0.479 4.518 3.960 0.133 0.000 0.293 31 G HA3 0.479 4.518 3.960 0.133 0.000 0.293 31 G C -2.136 172.971 174.900 0.345 0.000 1.287 31 G CA -0.904 44.399 45.100 0.338 0.000 0.850 31 G HN 0.525 nan 8.290 nan 0.000 0.515 32 I N 2.183 122.931 120.570 0.295 0.000 2.512 32 I HA 0.371 4.620 4.170 0.133 0.000 0.287 32 I C -2.230 173.814 176.117 -0.121 0.000 1.069 32 I CA -2.000 59.340 61.300 0.067 0.000 1.056 32 I CB 2.992 41.000 38.000 0.014 0.000 1.229 32 I HN 0.293 nan 8.210 nan 0.000 0.429 33 P HA 0.335 nan 4.420 nan 0.000 0.274 33 P C -0.403 176.687 177.300 -0.350 0.000 1.237 33 P CA 0.035 62.557 63.100 -0.963 0.000 0.793 33 P CB 1.621 32.478 31.700 -1.406 0.000 0.977 34 G N -1.042 107.630 108.800 -0.214 0.000 2.684 34 G HA2 0.456 4.496 3.960 0.133 0.000 0.290 34 G HA3 0.456 4.496 3.960 0.133 0.000 0.290 34 G C 0.548 175.413 174.900 -0.058 0.000 1.425 34 G CA -0.087 44.955 45.100 -0.097 0.000 0.822 34 G HN 0.392 nan 8.290 nan 0.000 0.482 35 A N 0.347 123.145 122.820 -0.036 0.000 1.873 35 A HA -0.075 4.324 4.320 0.133 0.000 0.218 35 A C 2.254 179.840 177.584 0.004 0.000 1.193 35 A CA 2.424 54.450 52.037 -0.018 0.000 0.629 35 A CB -0.476 18.516 19.000 -0.013 0.000 0.826 35 A HN 0.507 nan 8.150 nan 0.000 0.447 36 K N -1.220 119.189 120.400 0.015 0.000 2.211 36 K HA -0.031 4.369 4.320 0.133 0.000 0.204 36 K C 1.339 177.964 176.600 0.042 0.000 1.047 36 K CA 1.227 57.530 56.287 0.027 0.000 0.935 36 K CB -0.242 32.276 32.500 0.031 0.000 0.728 36 K HN 0.510 nan 8.250 nan 0.000 0.452 37 I N 0.529 121.139 120.570 0.067 0.000 4.082 37 I HA -0.026 4.223 4.170 0.133 0.000 0.337 37 I C 0.221 176.454 176.117 0.193 0.000 1.352 37 I CA -0.106 61.268 61.300 0.123 0.000 1.097 37 I CB 0.228 38.339 38.000 0.185 0.000 1.048 37 I HN 0.117 nan 8.210 nan 0.000 0.393 38 D N 0.348 120.814 120.400 0.111 0.000 2.311 38 D HA -0.278 4.442 4.640 0.133 0.000 0.212 38 D C 1.882 178.258 176.300 0.126 0.000 0.972 38 D CA 0.984 55.053 54.000 0.115 0.000 0.887 38 D CB -0.259 40.535 40.800 -0.011 0.000 0.915 38 D HN 0.144 nan 8.370 nan 0.000 0.497 39 K N 0.635 121.072 120.400 0.062 0.000 2.097 39 K HA -0.020 4.379 4.320 0.133 0.000 0.205 39 K C 1.889 178.500 176.600 0.019 0.000 1.050 39 K CA 0.818 57.102 56.287 -0.004 0.000 0.938 39 K CB -0.395 32.069 32.500 -0.060 0.000 0.718 39 K HN 0.117 nan 8.250 nan 0.000 0.442 40 V N 0.487 120.430 119.914 0.048 0.000 2.358 40 V HA -0.183 4.016 4.120 0.133 0.000 0.246 40 V C 1.953 178.031 176.094 -0.027 0.000 1.047 40 V CA 1.697 63.988 62.300 -0.016 0.000 1.035 40 V CB -0.599 31.186 31.823 -0.062 0.000 0.658 40 V HN 0.174 nan 8.190 nan 0.000 0.452 41 F N 0.878 120.813 119.950 -0.024 0.000 2.134 41 F HA -0.205 4.398 4.527 0.127 0.000 0.299 41 F C 2.276 178.064 175.800 -0.020 0.000 1.097 41 F CA 2.214 60.204 58.000 -0.017 0.000 1.264 41 F CB -0.480 38.514 39.000 -0.011 0.000 1.001 41 F HN 0.247 nan 8.300 nan 0.000 0.479 42 D N -0.567 119.929 120.400 0.160 0.000 2.097 42 D HA -0.165 4.555 4.640 0.133 0.000 0.195 42 D C 2.158 178.478 176.300 0.034 0.000 0.989 42 D CA 1.788 55.830 54.000 0.071 0.000 0.827 42 D CB -0.112 40.699 40.800 0.019 0.000 0.966 42 D HN 0.061 nan 8.370 nan 0.000 0.456 43 S N -0.478 115.229 115.700 0.012 0.000 2.419 43 S HA -0.085 4.465 4.470 0.133 0.000 0.233 43 S C 1.948 176.550 174.600 0.003 0.000 1.016 43 S CA 0.437 58.643 58.200 0.010 0.000 0.974 43 S CB -0.263 62.940 63.200 0.005 0.000 0.786 43 S HN 0.329 nan 8.310 nan 0.000 0.492 44 L N 0.940 122.152 121.223 -0.019 0.000 2.362 44 L HA 0.013 4.432 4.340 0.133 0.000 0.219 44 L C 1.895 178.761 176.870 -0.007 0.000 1.134 44 L CA 0.526 55.343 54.840 -0.039 0.000 0.807 44 L CB -0.434 41.567 42.059 -0.098 0.000 0.927 44 L HN 0.318 nan 8.230 nan 0.000 0.447 45 L N -0.575 120.658 121.223 0.018 0.000 2.141 45 L HA -0.172 4.247 4.340 0.133 0.000 0.209 45 L C 1.155 178.037 176.870 0.021 0.000 1.094 45 L CA 0.948 55.803 54.840 0.026 0.000 0.763 45 L CB -0.295 41.786 42.059 0.036 0.000 0.908 45 L HN 0.294 nan 8.230 nan 0.000 0.437 46 D N -0.724 119.690 120.400 0.023 0.000 2.336 46 D HA 0.061 4.781 4.640 0.133 0.000 0.228 46 D C 0.581 176.894 176.300 0.021 0.000 1.120 46 D CA 0.239 54.255 54.000 0.027 0.000 0.839 46 D CB 0.558 41.382 40.800 0.041 0.000 0.932 46 D HN 0.058 nan 8.370 nan 0.000 0.509 47 S N -0.479 115.226 115.700 0.008 0.000 2.638 47 S HA 0.295 4.845 4.470 0.133 0.000 0.302 47 S C 1.245 175.839 174.600 -0.010 0.000 1.096 47 S CA -0.480 57.719 58.200 -0.002 0.000 0.953 47 S CB 1.721 64.911 63.200 -0.016 0.000 1.107 47 S HN 0.015 nan 8.310 nan 0.000 0.503 48 S N 1.783 117.473 115.700 -0.015 0.000 2.522 48 S HA 0.202 4.752 4.470 0.133 0.000 0.227 48 S C 0.688 175.269 174.600 -0.033 0.000 0.986 48 S CA 0.002 58.191 58.200 -0.020 0.000 0.929 48 S CB -0.762 62.427 63.200 -0.020 0.000 0.769 48 S HN 0.652 nan 8.310 nan 0.000 0.529 49 I N 2.865 123.408 120.570 -0.044 0.000 2.598 49 I HA 0.117 4.366 4.170 0.133 0.000 0.284 49 I C 0.888 176.965 176.117 -0.068 0.000 1.140 49 I CA -0.182 61.079 61.300 -0.065 0.000 1.420 49 I CB 0.356 38.309 38.000 -0.079 0.000 1.387 49 I HN 0.191 nan 8.210 nan 0.000 0.553 50 R N 7.049 127.502 120.500 -0.079 0.000 2.389 50 R HA 0.405 4.825 4.340 0.133 0.000 0.295 50 R C -0.677 175.562 176.300 -0.102 0.000 1.075 50 R CA -0.465 55.593 56.100 -0.070 0.000 1.005 50 R CB 0.591 30.852 30.300 -0.064 0.000 0.987 50 R HN 0.580 nan 8.270 nan 0.000 0.452 51 I N 6.455 126.995 120.570 -0.050 0.000 2.325 51 I HA 0.197 4.446 4.170 0.133 0.000 0.291 51 I C -0.007 176.117 176.117 0.012 0.000 1.019 51 I CA -0.276 61.006 61.300 -0.030 0.000 1.302 51 I CB 1.175 39.212 38.000 0.062 0.000 1.401 51 I HN 0.504 nan 8.210 nan 0.000 0.485 52 I N 8.871 129.434 120.570 -0.012 0.000 2.428 52 I HA 0.293 4.543 4.170 0.133 0.000 0.279 52 I C -2.388 173.844 176.117 0.191 0.000 1.040 52 I CA -1.937 59.408 61.300 0.075 0.000 1.171 52 I CB 1.261 39.276 38.000 0.025 0.000 1.312 52 I HN 0.228 nan 8.210 nan 0.000 0.470 53 P HA 0.092 nan 4.420 nan 0.000 0.276 53 P C -0.226 177.189 177.300 0.191 0.000 1.243 53 P CA -0.102 63.116 63.100 0.196 0.000 0.768 53 P CB 0.872 32.653 31.700 0.134 0.000 0.856 54 V N 2.378 122.411 119.914 0.197 0.000 3.193 54 V HA 0.532 4.732 4.120 0.133 0.000 0.320 54 V C 1.096 177.268 176.094 0.129 0.000 1.112 54 V CA -0.559 61.848 62.300 0.178 0.000 1.026 54 V CB 2.007 33.947 31.823 0.196 0.000 1.128 54 V HN 0.224 nan 8.190 nan 0.000 0.452 55 R N -0.740 119.836 120.500 0.127 0.000 2.265 55 R HA 0.291 4.711 4.340 0.133 0.000 0.194 55 R C -0.032 176.344 176.300 0.128 0.000 0.931 55 R CA 0.613 56.780 56.100 0.112 0.000 1.032 55 R CB -0.466 29.907 30.300 0.121 0.000 0.980 55 R HN 1.001 nan 8.270 nan 0.000 0.497 56 H N -0.353 118.744 119.070 0.045 0.000 2.966 56 H HA 0.170 4.692 4.556 -0.057 0.000 0.347 56 H C 0.085 175.424 175.328 0.019 0.000 1.048 56 H CA -0.246 55.818 56.048 0.026 0.000 1.295 56 H CB 1.501 31.271 29.762 0.013 0.000 1.744 56 H HN -0.224 nan 8.280 nan 0.000 0.513 57 E N 3.141 123.311 120.200 -0.050 0.000 2.187 57 E HA -0.236 4.194 4.350 0.133 0.000 0.199 57 E C 1.972 178.617 176.600 0.076 0.000 1.004 57 E CA 1.685 58.109 56.400 0.040 0.000 0.813 57 E CB -0.045 29.648 29.700 -0.012 0.000 0.736 57 E HN 0.673 nan 8.360 nan 0.000 0.468 58 A N 1.368 124.327 122.820 0.232 0.000 1.948 58 A HA -0.250 4.149 4.320 0.133 0.000 0.220 58 A C 1.740 179.088 177.584 -0.393 0.000 1.177 58 A CA 1.751 53.712 52.037 -0.127 0.000 0.636 58 A CB -0.483 18.445 19.000 -0.120 0.000 0.815 58 A HN 0.192 nan 8.150 nan 0.000 0.449 59 N N 0.233 118.898 118.700 -0.059 0.000 2.459 59 N HA -0.000 4.819 4.740 0.133 0.000 0.181 59 N C 1.703 177.205 175.510 -0.013 0.000 1.046 59 N CA 1.137 54.213 53.050 0.042 0.000 0.904 59 N CB -0.406 38.157 38.487 0.127 0.000 0.964 59 N HN 0.515 nan 8.380 nan 0.000 0.444 60 A N 1.125 123.940 122.820 -0.008 0.000 1.898 60 A HA 0.108 4.508 4.320 0.133 0.000 0.216 60 A C 2.383 179.936 177.584 -0.050 0.000 1.181 60 A CA 1.557 53.609 52.037 0.026 0.000 0.620 60 A CB -0.611 18.482 19.000 0.156 0.000 0.819 60 A HN 0.279 nan 8.150 nan 0.000 0.442 61 A N -0.910 121.855 122.820 -0.091 0.000 1.898 61 A HA -0.003 4.397 4.320 0.133 0.000 0.216 61 A C 2.048 179.629 177.584 -0.004 0.000 1.181 61 A CA 1.315 53.304 52.037 -0.080 0.000 0.620 61 A CB -0.789 18.108 19.000 -0.171 0.000 0.819 61 A HN 0.531 nan 8.150 nan 0.000 0.442 62 F N -0.554 119.407 119.950 0.018 0.000 2.102 62 F HA -0.208 4.408 4.527 0.147 0.000 0.298 62 F C 2.678 178.538 175.800 0.099 0.000 1.105 62 F CA 1.263 59.301 58.000 0.062 0.000 1.239 62 F CB -0.357 38.578 39.000 -0.108 0.000 0.991 62 F HN 0.132 nan 8.300 nan 0.000 0.474 63 M N 0.051 119.674 119.600 0.038 0.000 2.117 63 M HA -0.207 4.353 4.480 0.133 0.000 0.262 63 M C 2.542 178.656 176.300 -0.312 0.000 1.065 63 M CA 1.721 56.846 55.300 -0.292 0.000 1.114 63 M CB -0.614 31.405 32.600 -0.969 0.000 1.361 63 M HN 0.210 nan 8.290 nan 0.000 0.408 64 A N 0.370 123.036 122.820 -0.256 0.000 1.933 64 A HA -0.066 4.334 4.320 0.133 0.000 0.218 64 A C 2.358 180.010 177.584 0.112 0.000 1.175 64 A CA 1.876 53.944 52.037 0.051 0.000 0.628 64 A CB -0.888 18.200 19.000 0.146 0.000 0.814 64 A HN 0.511 nan 8.150 nan 0.000 0.444 65 A N -0.160 122.751 122.820 0.151 0.000 1.933 65 A HA 0.164 4.563 4.320 0.133 0.000 0.218 65 A C 2.481 180.105 177.584 0.066 0.000 1.175 65 A CA 2.016 54.150 52.037 0.162 0.000 0.628 65 A CB -0.922 18.270 19.000 0.320 0.000 0.814 65 A HN 1.013 nan 8.150 nan 0.000 0.444 66 A N -0.537 122.327 122.820 0.073 0.000 1.873 66 A HA 0.007 4.407 4.320 0.133 0.000 0.215 66 A C 2.226 179.823 177.584 0.021 0.000 1.186 66 A CA 1.730 53.752 52.037 -0.025 0.000 0.616 66 A CB -0.992 18.042 19.000 0.057 0.000 0.823 66 A HN 0.381 nan 8.150 nan 0.000 0.442 67 V N 0.054 120.022 119.914 0.091 0.000 2.287 67 V HA -0.226 3.974 4.120 0.133 0.000 0.248 67 V C 2.821 178.963 176.094 0.080 0.000 1.053 67 V CA 2.107 64.480 62.300 0.121 0.000 1.027 67 V CB -1.491 30.469 31.823 0.228 0.000 0.646 67 V HN 0.624 nan 8.190 nan 0.000 0.447 68 G N -0.594 108.252 108.800 0.078 0.000 2.421 68 G HA2 -0.310 3.729 3.960 0.133 0.000 0.216 68 G HA3 -0.310 3.729 3.960 0.133 0.000 0.216 68 G C 1.716 176.628 174.900 0.020 0.000 1.171 68 G CA 0.965 46.099 45.100 0.056 0.000 0.775 68 G HN 0.442 nan 8.290 nan 0.000 0.543 69 R N -0.058 120.435 120.500 -0.012 0.000 2.096 69 R HA 0.036 4.455 4.340 0.133 0.000 0.235 69 R C 2.475 178.752 176.300 -0.039 0.000 1.127 69 R CA 1.171 57.243 56.100 -0.046 0.000 0.968 69 R CB -0.262 29.967 30.300 -0.117 0.000 0.861 69 R HN 0.454 nan 8.270 nan 0.000 0.440 70 I N -0.249 120.304 120.570 -0.027 0.000 2.235 70 I HA -0.185 4.064 4.170 0.133 0.000 0.241 70 I C 2.346 178.459 176.117 -0.006 0.000 1.085 70 I CA 1.611 62.899 61.300 -0.020 0.000 1.378 70 I CB -0.281 37.713 38.000 -0.011 0.000 1.076 70 I HN 0.314 nan 8.210 nan 0.000 0.415 71 T N -1.910 112.650 114.554 0.011 0.000 3.088 71 T HA 0.167 4.597 4.350 0.133 0.000 0.259 71 T C 1.675 176.385 174.700 0.017 0.000 1.122 71 T CA 0.616 62.724 62.100 0.014 0.000 1.095 71 T CB 0.209 69.094 68.868 0.028 0.000 0.930 71 T HN 0.566 nan 8.240 nan 0.000 0.508 72 G N 1.415 110.226 108.800 0.018 0.000 2.184 72 G HA2 -0.238 3.801 3.960 0.133 0.000 0.264 72 G HA3 -0.238 3.801 3.960 0.133 0.000 0.264 72 G C 0.032 174.956 174.900 0.040 0.000 0.975 72 G CA 0.333 45.445 45.100 0.021 0.000 0.642 72 G HN 0.631 nan 8.290 nan 0.000 0.536 73 K N 0.734 121.167 120.400 0.055 0.000 2.274 73 K HA 0.693 5.093 4.320 0.133 0.000 0.262 73 K C 0.532 177.203 176.600 0.119 0.000 0.961 73 K CA -0.025 56.317 56.287 0.091 0.000 0.833 73 K CB 1.854 34.400 32.500 0.077 0.000 1.102 73 K HN 0.685 nan 8.250 nan 0.000 0.436 74 A N 2.418 125.328 122.820 0.150 0.000 2.584 74 A HA 0.203 4.603 4.320 0.133 0.000 0.239 74 A C 0.778 178.449 177.584 0.144 0.000 1.043 74 A CA 0.640 52.738 52.037 0.101 0.000 0.756 74 A CB -0.228 18.746 19.000 -0.044 0.000 0.963 74 A HN 0.755 nan 8.150 nan 0.000 0.511 75 G N 0.483 109.361 108.800 0.130 0.000 2.539 75 G HA2 0.486 4.526 3.960 0.133 0.000 0.258 75 G HA3 0.486 4.526 3.960 0.133 0.000 0.258 75 G C -0.473 174.534 174.900 0.179 0.000 1.202 75 G CA -0.315 44.912 45.100 0.212 0.000 0.851 75 G HN 0.955 nan 8.290 nan 0.000 0.556 76 V N 0.667 120.727 119.914 0.242 0.000 2.487 76 V HA 0.689 4.888 4.120 0.133 0.000 0.298 76 V C 0.376 176.602 176.094 0.220 0.000 1.028 76 V CA -0.695 61.699 62.300 0.157 0.000 0.860 76 V CB 1.210 33.105 31.823 0.119 0.000 0.991 76 V HN 1.107 nan 8.190 nan 0.000 0.427 77 A N 4.799 127.709 122.820 0.149 0.000 2.337 77 A HA 0.957 5.357 4.320 0.133 0.000 0.329 77 A C -1.246 176.389 177.584 0.084 0.000 1.146 77 A CA -0.574 51.564 52.037 0.169 0.000 0.800 77 A CB 1.465 20.558 19.000 0.154 0.000 1.220 77 A HN 0.864 nan 8.150 nan 0.000 0.472 78 L N 3.059 124.335 121.223 0.088 0.000 2.441 78 L HA 0.708 5.128 4.340 0.133 0.000 0.270 78 L C -0.646 176.347 176.870 0.205 0.000 0.973 78 L CA -0.353 54.509 54.840 0.037 0.000 0.842 78 L CB 1.814 43.742 42.059 -0.218 0.000 1.239 78 L HN 1.056 nan 8.230 nan 0.000 0.406 79 V N 0.873 120.908 119.914 0.201 0.000 3.160 79 V HA 0.744 4.943 4.120 0.133 0.000 0.310 79 V C -0.121 176.086 176.094 0.187 0.000 1.181 79 V CA -0.388 62.044 62.300 0.221 0.000 1.047 79 V CB 1.644 33.566 31.823 0.164 0.000 1.068 79 V HN 0.747 nan 8.190 nan 0.000 0.441 80 T N 0.963 115.597 114.554 0.134 0.000 2.814 80 T HA 0.506 4.936 4.350 0.133 0.000 0.284 80 T C 0.614 175.368 174.700 0.091 0.000 0.998 80 T CA 0.403 62.559 62.100 0.094 0.000 0.935 80 T CB 0.938 69.830 68.868 0.040 0.000 1.167 80 T HN 1.625 nan 8.240 nan 0.000 0.545 81 S N 0.081 115.824 115.700 0.072 0.000 2.617 81 S HA 0.543 5.093 4.470 0.133 0.000 0.259 81 S C 1.280 175.920 174.600 0.067 0.000 1.301 81 S CA -0.124 58.123 58.200 0.078 0.000 0.984 81 S CB -0.132 63.103 63.200 0.059 0.000 0.954 81 S HN 1.562 nan 8.310 nan 0.000 0.572 82 G N 1.581 110.424 108.800 0.072 0.000 2.629 82 G HA2 -0.282 3.758 3.960 0.133 0.000 0.313 82 G HA3 -0.282 3.758 3.960 0.133 0.000 0.313 82 G C -1.168 173.760 174.900 0.047 0.000 1.217 82 G CA 0.257 45.389 45.100 0.052 0.000 0.994 82 G HN 0.740 nan 8.290 nan 0.000 0.549 83 P HA -0.039 nan 4.420 nan 0.000 0.222 83 P C 1.888 179.191 177.300 0.005 0.000 1.147 83 P CA 2.398 65.500 63.100 0.005 0.000 0.790 83 P CB -0.697 30.995 31.700 -0.013 0.000 0.780 84 G N -0.150 108.665 108.800 0.024 0.000 2.422 84 G HA2 -0.255 3.785 3.960 0.133 0.000 0.218 84 G HA3 -0.255 3.785 3.960 0.133 0.000 0.218 84 G C 1.658 176.611 174.900 0.088 0.000 1.146 84 G CA 0.882 46.005 45.100 0.038 0.000 0.769 84 G HN 0.268 nan 8.290 nan 0.000 0.547 85 C N 1.021 120.397 119.300 0.128 0.000 2.544 85 C HA 0.051 4.590 4.460 0.133 0.000 0.280 85 C C 3.451 178.569 174.990 0.213 0.000 1.295 85 C CA 1.189 60.336 59.018 0.215 0.000 1.702 85 C CB -0.625 27.254 27.740 0.231 0.000 2.090 85 C HN 0.574 nan 8.230 nan 0.000 0.493 86 S N 1.819 117.572 115.700 0.088 0.000 2.440 86 S HA -0.163 4.386 4.470 0.133 0.000 0.238 86 S C 1.300 175.875 174.600 -0.040 0.000 1.010 86 S CA 1.572 59.755 58.200 -0.029 0.000 0.972 86 S CB -0.673 62.505 63.200 -0.036 0.000 0.774 86 S HN 0.584 nan 8.310 nan 0.000 0.501 87 N N 1.261 119.965 118.700 0.006 0.000 2.512 87 N HA 0.206 5.025 4.740 0.133 0.000 0.183 87 N C 1.242 176.770 175.510 0.029 0.000 1.073 87 N CA 0.528 53.592 53.050 0.023 0.000 0.911 87 N CB -0.397 38.046 38.487 -0.074 0.000 0.964 87 N HN 0.480 nan 8.380 nan 0.000 0.447 88 L N -0.366 120.877 121.223 0.034 0.000 2.416 88 L HA 0.179 4.599 4.340 0.133 0.000 0.216 88 L C 1.750 178.580 176.870 -0.067 0.000 1.098 88 L CA 0.063 54.925 54.840 0.036 0.000 0.840 88 L CB -0.011 42.181 42.059 0.222 0.000 0.981 88 L HN 0.070 nan 8.230 nan 0.000 0.462 89 I N 0.099 120.526 120.570 -0.239 0.000 2.113 89 I HA -0.406 3.844 4.170 0.133 0.000 0.242 89 I C 2.463 178.442 176.117 -0.230 0.000 1.057 89 I CA 1.976 63.018 61.300 -0.430 0.000 1.314 89 I CB -0.743 36.936 38.000 -0.536 0.000 1.022 89 I HN 0.267 nan 8.210 nan 0.000 0.408 90 T N 0.461 114.917 114.554 -0.163 0.000 2.684 90 T HA -0.147 4.283 4.350 0.133 0.000 0.267 90 T C 1.874 176.530 174.700 -0.073 0.000 1.036 90 T CA 1.613 63.660 62.100 -0.089 0.000 1.148 90 T CB -0.801 68.040 68.868 -0.045 0.000 0.863 90 T HN 0.637 nan 8.240 nan 0.000 0.436 91 G N 1.512 110.157 108.800 -0.259 0.000 2.440 91 G HA2 -0.201 3.839 3.960 0.133 0.000 0.218 91 G HA3 -0.201 3.839 3.960 0.133 0.000 0.218 91 G C 1.537 176.403 174.900 -0.058 0.000 1.154 91 G CA 0.732 45.583 45.100 -0.415 0.000 0.767 91 G HN 0.304 nan 8.290 nan 0.000 0.552 92 M N 1.064 120.653 119.600 -0.019 0.000 2.175 92 M HA 0.085 4.645 4.480 0.133 0.000 0.264 92 M C 2.979 179.325 176.300 0.077 0.000 1.063 92 M CA 1.199 56.548 55.300 0.082 0.000 1.119 92 M CB -1.136 31.573 32.600 0.181 0.000 1.377 92 M HN 0.323 nan 8.290 nan 0.000 0.415 93 A N -0.208 122.629 122.820 0.028 0.000 1.930 93 A HA -0.108 4.292 4.320 0.133 0.000 0.217 93 A C 2.322 179.956 177.584 0.084 0.000 1.175 93 A CA 2.050 54.107 52.037 0.033 0.000 0.627 93 A CB -1.005 17.988 19.000 -0.012 0.000 0.815 93 A HN 0.457 nan 8.150 nan 0.000 0.443 94 T N 0.348 114.985 114.554 0.139 0.000 2.708 94 T HA -0.020 4.409 4.350 0.133 0.000 0.266 94 T C 2.250 177.087 174.700 0.228 0.000 1.037 94 T CA 1.587 63.815 62.100 0.214 0.000 1.146 94 T CB -0.449 68.641 68.868 0.370 0.000 0.865 94 T HN 0.582 nan 8.240 nan 0.000 0.435 95 A N 1.804 124.762 122.820 0.230 0.000 1.902 95 A HA -0.156 4.243 4.320 0.133 0.000 0.217 95 A C 2.194 179.854 177.584 0.127 0.000 1.181 95 A CA 2.020 54.173 52.037 0.195 0.000 0.623 95 A CB -0.856 18.249 19.000 0.175 0.000 0.818 95 A HN 0.479 nan 8.150 nan 0.000 0.443 96 N N 0.226 118.991 118.700 0.108 0.000 2.142 96 N HA -0.145 4.674 4.740 0.133 0.000 0.186 96 N C 1.930 177.478 175.510 0.063 0.000 1.023 96 N CA 2.002 55.101 53.050 0.081 0.000 0.852 96 N CB -0.204 38.329 38.487 0.077 0.000 0.998 96 N HN 0.515 nan 8.380 nan 0.000 0.424 97 S N -0.711 115.029 115.700 0.067 0.000 2.428 97 S HA 0.009 4.559 4.470 0.133 0.000 0.230 97 S C 1.374 176.005 174.600 0.052 0.000 1.014 97 S CA 0.685 58.914 58.200 0.047 0.000 0.957 97 S CB -0.150 63.079 63.200 0.048 0.000 0.784 97 S HN 0.201 nan 8.310 nan 0.000 0.499 98 E N 1.093 121.340 120.200 0.079 0.000 2.478 98 E HA 0.220 4.650 4.350 0.133 0.000 0.194 98 E C 1.340 177.963 176.600 0.039 0.000 1.045 98 E CA 0.546 56.987 56.400 0.067 0.000 0.868 98 E CB -0.246 29.511 29.700 0.095 0.000 0.885 98 E HN 0.707 nan 8.360 nan 0.000 0.505 99 G N 2.236 111.061 108.800 0.042 0.000 2.160 99 G HA2 -0.203 3.837 3.960 0.133 0.000 0.244 99 G HA3 -0.203 3.837 3.960 0.133 0.000 0.244 99 G C -0.509 174.409 174.900 0.029 0.000 1.022 99 G CA 0.133 45.252 45.100 0.032 0.000 0.741 99 G HN 0.126 nan 8.290 nan 0.000 0.508 100 D N 1.381 121.806 120.400 0.042 0.000 2.249 100 D HA 0.395 5.115 4.640 0.133 0.000 0.246 100 D C -2.012 174.315 176.300 0.046 0.000 1.114 100 D CA -1.244 52.778 54.000 0.036 0.000 0.854 100 D CB 1.774 42.602 40.800 0.048 0.000 1.132 100 D HN 0.173 nan 8.370 nan 0.000 0.461 101 P HA 0.081 nan 4.420 nan 0.000 0.276 101 P C -0.629 176.684 177.300 0.021 0.000 1.253 101 P CA -0.189 62.925 63.100 0.023 0.000 0.766 101 P CB 0.881 32.596 31.700 0.026 0.000 0.845 102 V N 4.873 124.785 119.914 -0.004 0.000 2.777 102 V HA 0.241 4.441 4.120 0.133 0.000 0.306 102 V C -0.087 175.952 176.094 -0.092 0.000 1.112 102 V CA -0.742 61.553 62.300 -0.008 0.000 0.917 102 V CB 2.679 34.538 31.823 0.059 0.000 1.018 102 V HN 0.220 nan 8.190 nan 0.000 0.426 103 V N 3.679 123.478 119.914 -0.192 0.000 2.409 103 V HA 0.833 5.033 4.120 0.133 0.000 0.291 103 V C 0.260 176.272 176.094 -0.137 0.000 1.020 103 V CA -0.364 61.749 62.300 -0.312 0.000 0.848 103 V CB 1.734 33.045 31.823 -0.853 0.000 0.990 103 V HN 1.020 nan 8.190 nan 0.000 0.430 104 A N 6.556 129.343 122.820 -0.055 0.000 2.318 104 A HA 0.860 5.260 4.320 0.133 0.000 0.317 104 A C -0.844 176.678 177.584 -0.102 0.000 1.159 104 A CA -0.507 51.540 52.037 0.016 0.000 0.799 104 A CB 0.732 19.829 19.000 0.163 0.000 1.194 104 A HN 0.803 nan 8.150 nan 0.000 0.479 105 L N 3.131 124.292 121.223 -0.104 0.000 2.276 105 L HA 0.618 5.037 4.340 0.133 0.000 0.286 105 L C 0.631 177.430 176.870 -0.118 0.000 1.024 105 L CA -0.439 54.284 54.840 -0.196 0.000 0.826 105 L CB 1.678 43.660 42.059 -0.128 0.000 1.211 105 L HN 0.792 nan 8.230 nan 0.000 0.422 106 G N 1.642 110.310 108.800 -0.219 0.000 2.461 106 G HA2 0.574 4.614 3.960 0.133 0.000 0.323 106 G HA3 0.574 4.614 3.960 0.133 0.000 0.323 106 G C 0.017 174.911 174.900 -0.010 0.000 1.229 106 G CA -0.492 44.624 45.100 0.026 0.000 0.941 106 G HN 0.639 nan 8.290 nan 0.000 0.477 107 G N -0.467 108.368 108.800 0.058 0.000 2.667 107 G HA2 0.667 4.707 3.960 0.133 0.000 0.250 107 G HA3 0.667 4.707 3.960 0.133 0.000 0.250 107 G C 0.008 174.941 174.900 0.055 0.000 1.212 107 G CA 0.563 45.690 45.100 0.044 0.000 0.874 107 G HN 1.503 nan 8.290 nan 0.000 0.561 108 A N -0.851 121.991 122.820 0.037 0.000 2.612 108 A HA 0.679 5.078 4.320 0.133 0.000 0.293 108 A C -0.030 177.573 177.584 0.031 0.000 1.075 108 A CA -0.041 52.022 52.037 0.044 0.000 0.680 108 A CB 0.853 19.875 19.000 0.037 0.000 1.279 108 A HN 2.128 nan 8.150 nan 0.000 0.411 109 V N -0.466 119.468 119.914 0.032 0.000 3.139 109 V HA 0.291 4.491 4.120 0.133 0.000 0.307 109 V C 0.437 176.543 176.094 0.020 0.000 1.095 109 V CA -0.374 61.940 62.300 0.024 0.000 1.160 109 V CB -0.269 31.568 31.823 0.024 0.000 1.003 109 V HN 0.848 nan 8.190 nan 0.000 0.489 110 K N 1.976 122.386 120.400 0.018 0.000 2.494 110 K HA 0.076 4.476 4.320 0.133 0.000 0.273 110 K C 1.457 178.065 176.600 0.014 0.000 0.970 110 K CA 0.155 56.452 56.287 0.016 0.000 0.963 110 K CB 0.361 32.870 32.500 0.016 0.000 0.913 110 K HN 0.611 nan 8.250 nan 0.000 0.502 111 R N 1.171 121.678 120.500 0.012 0.000 2.105 111 R HA -0.215 4.205 4.340 0.133 0.000 0.239 111 R C 2.142 178.448 176.300 0.011 0.000 1.135 111 R CA 1.671 57.777 56.100 0.010 0.000 0.967 111 R CB -0.355 29.949 30.300 0.008 0.000 0.861 111 R HN 0.726 nan 8.270 nan 0.000 0.442 112 A N 1.157 123.984 122.820 0.012 0.000 1.969 112 A HA -0.148 4.251 4.320 0.133 0.000 0.218 112 A C 1.444 179.035 177.584 0.011 0.000 1.169 112 A CA 1.441 53.484 52.037 0.011 0.000 0.635 112 A CB -0.135 18.871 19.000 0.011 0.000 0.810 112 A HN 0.174 nan 8.150 nan 0.000 0.445 113 D N -0.422 119.986 120.400 0.012 0.000 2.277 113 D HA -0.005 4.714 4.640 0.133 0.000 0.208 113 D C 1.084 177.392 176.300 0.014 0.000 0.962 113 D CA 0.586 54.593 54.000 0.013 0.000 0.865 113 D CB 0.064 40.873 40.800 0.014 0.000 0.939 113 D HN 0.523 nan 8.370 nan 0.000 0.510 122 M N 2.459 122.080 119.600 0.036 0.000 2.184 122 M HA 0.220 4.780 4.480 0.133 0.000 0.351 122 M C -0.585 175.749 176.300 0.057 0.000 1.395 122 M CA -0.139 55.186 55.300 0.041 0.000 1.117 122 M CB 0.286 32.914 32.600 0.047 0.000 1.708 122 M HN 0.702 nan 8.290 nan 0.000 0.468 123 D N 3.885 124.315 120.400 0.049 0.000 2.608 123 D HA 0.030 4.750 4.640 0.133 0.000 0.224 123 D C 1.312 177.664 176.300 0.087 0.000 1.123 123 D CA 0.027 54.064 54.000 0.061 0.000 1.030 123 D CB 0.421 41.245 40.800 0.041 0.000 1.093 123 D HN 0.766 nan 8.370 nan 0.000 0.497 124 T N -1.502 113.131 114.554 0.131 0.000 2.788 124 T HA -0.166 4.264 4.350 0.133 0.000 0.268 124 T C 2.072 176.908 174.700 0.227 0.000 1.044 124 T CA 0.899 63.109 62.100 0.183 0.000 1.139 124 T CB -0.374 68.625 68.868 0.218 0.000 0.867 124 T HN 0.125 nan 8.240 nan 0.000 0.454 125 V N 2.311 122.364 119.914 0.232 0.000 2.332 125 V HA -0.140 4.059 4.120 0.133 0.000 0.248 125 V C 3.254 179.435 176.094 0.146 0.000 1.055 125 V CA 1.798 64.230 62.300 0.219 0.000 1.038 125 V CB -1.446 30.457 31.823 0.133 0.000 0.651 125 V HN 0.721 nan 8.190 nan 0.000 0.450 126 A N -0.899 121.978 122.820 0.094 0.000 1.969 126 A HA -0.200 4.200 4.320 0.133 0.000 0.218 126 A C 2.198 179.801 177.584 0.032 0.000 1.169 126 A CA 2.045 54.113 52.037 0.052 0.000 0.635 126 A CB -0.437 18.581 19.000 0.031 0.000 0.810 126 A HN 0.528 nan 8.150 nan 0.000 0.445 127 M N -2.188 117.431 119.600 0.032 0.000 2.200 127 M HA 0.011 4.571 4.480 0.133 0.000 0.265 127 M C 1.571 177.766 176.300 -0.174 0.000 1.066 127 M CA 1.305 56.559 55.300 -0.078 0.000 1.127 127 M CB -0.234 32.296 32.600 -0.116 0.000 1.379 127 M HN 0.426 nan 8.290 nan 0.000 0.420 128 F N -0.271 119.573 119.950 -0.176 0.000 2.569 128 F HA 0.042 4.654 4.527 0.142 0.000 0.295 128 F C 2.510 178.275 175.800 -0.059 0.000 1.115 128 F CA 0.547 58.441 58.000 -0.176 0.000 1.450 128 F CB -0.500 38.304 39.000 -0.327 0.000 1.107 128 F HN 0.021 nan 8.300 nan 0.000 0.563 129 S N 0.809 116.587 115.700 0.132 0.000 2.380 129 S HA -0.182 4.368 4.470 0.133 0.000 0.229 129 S C -0.394 174.237 174.600 0.052 0.000 1.043 129 S CA 1.697 59.950 58.200 0.087 0.000 1.038 129 S CB -1.316 61.917 63.200 0.055 0.000 0.872 129 S HN 0.251 nan 8.310 nan 0.000 0.456 130 P HA 0.002 nan 4.420 nan 0.000 0.221 130 P C 0.864 178.162 177.300 -0.004 0.000 1.150 130 P CA 0.851 63.947 63.100 -0.006 0.000 0.800 130 P CB -0.038 31.641 31.700 -0.036 0.000 0.787 131 V N -4.798 115.112 119.914 -0.006 0.000 2.988 131 V HA 0.389 4.589 4.120 0.133 0.000 0.356 131 V C 0.002 176.138 176.094 0.070 0.000 1.380 131 V CA -0.008 62.296 62.300 0.006 0.000 1.184 131 V CB -0.555 31.235 31.823 -0.055 0.000 1.204 131 V HN 0.064 nan 8.190 nan 0.000 0.530 132 T N -3.879 110.738 114.554 0.105 0.000 2.864 132 T HA 0.501 4.931 4.350 0.133 0.000 0.299 132 T C 0.163 174.946 174.700 0.137 0.000 1.166 132 T CA -0.576 61.615 62.100 0.151 0.000 1.007 132 T CB 2.493 71.501 68.868 0.234 0.000 1.219 132 T HN 0.047 nan 8.240 nan 0.000 0.506 133 K N -0.659 119.833 120.400 0.154 0.000 2.314 133 K HA 0.181 4.581 4.320 0.133 0.000 0.198 133 K C -0.562 176.174 176.600 0.227 0.000 1.045 133 K CA 0.340 56.720 56.287 0.155 0.000 0.988 133 K CB 0.237 32.816 32.500 0.133 0.000 0.783 133 K HN 0.612 nan 8.250 nan 0.000 0.484 134 Y N -0.118 120.225 120.300 0.070 0.000 2.401 134 Y HA 0.451 5.079 4.550 0.130 0.000 0.330 134 Y C -2.012 173.943 175.900 0.092 0.000 1.071 134 Y CA -0.977 57.160 58.100 0.061 0.000 1.049 134 Y CB 1.867 40.344 38.460 0.029 0.000 1.239 134 Y HN -0.126 nan 8.280 nan 0.000 0.437 135 A N 7.630 130.334 122.820 -0.193 0.000 2.442 135 A HA 0.755 5.155 4.320 0.133 0.000 0.284 135 A C -2.068 175.354 177.584 -0.269 0.000 1.058 135 A CA -0.474 51.529 52.037 -0.057 0.000 0.738 135 A CB 0.829 19.923 19.000 0.158 0.000 1.242 135 A HN 0.877 nan 8.150 nan 0.000 0.421 136 I N 0.978 121.367 120.570 -0.301 0.000 2.841 136 I HA 0.522 4.771 4.170 0.133 0.000 0.298 136 I C -1.128 174.876 176.117 -0.189 0.000 1.304 136 I CA -0.376 60.762 61.300 -0.271 0.000 1.019 136 I CB 2.122 39.868 38.000 -0.422 0.000 1.282 136 I HN 0.808 nan 8.210 nan 0.000 0.432 137 E N 5.293 125.423 120.200 -0.117 0.000 2.183 137 E HA 0.457 4.886 4.350 0.133 0.000 0.271 137 E C -1.512 175.043 176.600 -0.076 0.000 0.919 137 E CA -0.735 55.606 56.400 -0.099 0.000 0.781 137 E CB 2.017 31.693 29.700 -0.040 0.000 1.140 137 E HN 0.446 nan 8.360 nan 0.000 0.402 138 V N 4.899 124.766 119.914 -0.078 0.000 2.397 138 V HA 0.030 4.230 4.120 0.133 0.000 0.262 138 V C 1.191 177.265 176.094 -0.034 0.000 1.047 138 V CA 0.575 62.844 62.300 -0.052 0.000 1.003 138 V CB 0.354 32.143 31.823 -0.056 0.000 1.037 138 V HN 0.912 nan 8.190 nan 0.000 0.480 139 T N 1.026 115.565 114.554 -0.024 0.000 3.086 139 T HA 0.493 4.923 4.350 0.133 0.000 0.250 139 T C 0.474 175.169 174.700 -0.008 0.000 1.074 139 T CA 0.463 62.555 62.100 -0.013 0.000 0.988 139 T CB 0.409 69.270 68.868 -0.010 0.000 0.988 139 T HN 0.789 nan 8.240 nan 0.000 0.530 140 A N 2.364 125.179 122.820 -0.009 0.000 2.408 140 A HA 0.684 5.084 4.320 0.133 0.000 0.295 140 A C -2.030 175.550 177.584 -0.007 0.000 1.040 140 A CA -1.714 50.321 52.037 -0.004 0.000 0.707 140 A CB 1.594 20.594 19.000 -0.000 0.000 1.235 140 A HN -0.032 nan 8.150 nan 0.000 0.418 141 P HA -0.223 nan 4.420 nan 0.000 0.216 141 P C 0.559 177.854 177.300 -0.009 0.000 1.150 141 P CA 1.765 64.862 63.100 -0.006 0.000 0.843 141 P CB -0.010 31.696 31.700 0.009 0.000 0.787 142 D N -0.169 120.233 120.400 0.003 0.000 2.378 142 D HA -0.023 4.697 4.640 0.133 0.000 0.227 142 D C 1.467 177.767 176.300 -0.001 0.000 1.012 142 D CA 0.704 54.709 54.000 0.008 0.000 0.905 142 D CB -0.360 40.451 40.800 0.018 0.000 0.895 142 D HN 0.216 nan 8.370 nan 0.000 0.532 143 A N 0.069 122.884 122.820 -0.008 0.000 2.343 143 A HA 0.189 4.589 4.320 0.133 0.000 0.223 143 A C 1.881 179.453 177.584 -0.020 0.000 1.214 143 A CA -0.311 51.722 52.037 -0.007 0.000 0.900 143 A CB -0.162 18.836 19.000 -0.002 0.000 0.942 143 A HN 0.145 nan 8.150 nan 0.000 0.507 144 L N 0.534 121.733 121.223 -0.040 0.000 1.991 144 L HA -0.248 4.172 4.340 0.133 0.000 0.221 144 L C 2.639 179.466 176.870 -0.071 0.000 1.079 144 L CA 2.662 57.463 54.840 -0.064 0.000 0.778 144 L CB -0.829 41.172 42.059 -0.096 0.000 0.893 144 L HN 0.375 nan 8.230 nan 0.000 0.437 145 A N -0.463 122.301 122.820 -0.092 0.000 1.877 145 A HA -0.263 4.137 4.320 0.133 0.000 0.216 145 A C 2.135 179.695 177.584 -0.040 0.000 1.186 145 A CA 1.848 53.829 52.037 -0.093 0.000 0.620 145 A CB -0.884 18.050 19.000 -0.110 0.000 0.822 145 A HN 0.753 nan 8.150 nan 0.000 0.443 146 E N -0.263 119.927 120.200 -0.016 0.000 2.110 146 E HA -0.126 4.304 4.350 0.133 0.000 0.193 146 E C 1.700 178.325 176.600 0.041 0.000 0.988 146 E CA 1.504 57.910 56.400 0.010 0.000 0.804 146 E CB -0.568 29.143 29.700 0.019 0.000 0.745 146 E HN 0.261 nan 8.360 nan 0.000 0.458 147 V N 1.414 121.357 119.914 0.049 0.000 2.343 147 V HA -0.231 3.969 4.120 0.133 0.000 0.247 147 V C 2.470 178.632 176.094 0.112 0.000 1.051 147 V CA 1.525 63.890 62.300 0.109 0.000 1.036 147 V CB -0.137 31.721 31.823 0.059 0.000 0.654 147 V HN 0.227 nan 8.190 nan 0.000 0.451 148 V N -0.627 119.321 119.914 0.057 0.000 2.358 148 V HA -0.224 3.976 4.120 0.133 0.000 0.246 148 V C 2.644 178.841 176.094 0.172 0.000 1.047 148 V CA 2.238 64.593 62.300 0.091 0.000 1.035 148 V CB -0.564 31.292 31.823 0.054 0.000 0.658 148 V HN 0.611 nan 8.190 nan 0.000 0.452 149 S N 0.665 116.412 115.700 0.078 0.000 2.356 149 S HA -0.218 4.331 4.470 0.133 0.000 0.223 149 S C 1.877 176.508 174.600 0.052 0.000 1.032 149 S CA 1.878 60.111 58.200 0.054 0.000 1.005 149 S CB -0.458 62.733 63.200 -0.014 0.000 0.867 149 S HN 0.649 nan 8.310 nan 0.000 0.449 150 N N 1.620 120.312 118.700 -0.014 0.000 2.381 150 N HA 0.077 4.897 4.740 0.133 0.000 0.182 150 N C 1.735 176.948 175.510 -0.495 0.000 1.025 150 N CA 1.034 54.004 53.050 -0.134 0.000 0.888 150 N CB -0.716 37.761 38.487 -0.018 0.000 0.965 150 N HN 0.528 nan 8.380 nan 0.000 0.438 151 A N 0.352 122.882 122.820 -0.484 0.000 1.902 151 A HA -0.069 4.330 4.320 0.133 0.000 0.217 151 A C 1.913 179.214 177.584 -0.472 0.000 1.181 151 A CA 0.933 52.519 52.037 -0.751 0.000 0.623 151 A CB -0.792 18.026 19.000 -0.303 0.000 0.818 151 A HN 0.159 nan 8.150 nan 0.000 0.443 152 F N 0.048 119.853 119.950 -0.242 0.000 2.146 152 F HA -0.112 4.497 4.527 0.137 0.000 0.298 152 F C 2.635 178.352 175.800 -0.138 0.000 1.096 152 F CA 1.411 59.324 58.000 -0.145 0.000 1.275 152 F CB -0.213 38.728 39.000 -0.100 0.000 1.008 152 F HN 0.083 nan 8.300 nan 0.000 0.480 153 R N 0.301 120.812 120.500 0.020 0.000 2.083 153 R HA -0.150 4.269 4.340 0.133 0.000 0.237 153 R C 2.393 178.657 176.300 -0.061 0.000 1.137 153 R CA 1.392 57.480 56.100 -0.019 0.000 0.951 153 R CB -1.311 28.967 30.300 -0.037 0.000 0.851 153 R HN 0.332 nan 8.270 nan 0.000 0.434 154 A N 1.330 124.049 122.820 -0.168 0.000 1.902 154 A HA -0.059 4.340 4.320 0.133 0.000 0.217 154 A C 2.437 179.983 177.584 -0.065 0.000 1.181 154 A CA 1.753 53.715 52.037 -0.126 0.000 0.623 154 A CB -0.560 18.289 19.000 -0.251 0.000 0.818 154 A HN 0.376 nan 8.150 nan 0.000 0.443 155 A N -0.176 122.579 122.820 -0.108 0.000 1.902 155 A HA -0.156 4.244 4.320 0.133 0.000 0.217 155 A C 1.931 179.508 177.584 -0.012 0.000 1.181 155 A CA 1.695 53.695 52.037 -0.061 0.000 0.623 155 A CB -0.451 18.470 19.000 -0.132 0.000 0.818 155 A HN 0.642 nan 8.150 nan 0.000 0.443 156 E N -0.328 119.874 120.200 0.003 0.000 2.190 156 E HA -0.017 4.412 4.350 0.133 0.000 0.191 156 E C 0.719 177.335 176.600 0.027 0.000 0.978 156 E CA 0.137 56.555 56.400 0.029 0.000 0.839 156 E CB 0.010 29.743 29.700 0.056 0.000 0.787 156 E HN 0.711 nan 8.360 nan 0.000 0.473 157 Q N 0.084 119.898 119.800 0.023 0.000 2.318 157 Q HA 0.338 4.757 4.340 0.133 0.000 0.222 157 Q C 0.833 176.856 176.000 0.039 0.000 1.003 157 Q CA 0.009 55.829 55.803 0.028 0.000 0.936 157 Q CB 0.857 29.609 28.738 0.023 0.000 1.204 157 Q HN 0.217 nan 8.270 nan 0.000 0.524 158 G N 0.886 109.714 108.800 0.045 0.000 2.614 158 G HA2 -0.306 3.734 3.960 0.133 0.000 0.303 158 G HA3 -0.306 3.734 3.960 0.133 0.000 0.303 158 G C -0.579 174.363 174.900 0.069 0.000 1.270 158 G CA -0.312 44.826 45.100 0.064 0.000 0.988 158 G HN 0.523 nan 8.290 nan 0.000 0.551 159 R N 1.684 122.238 120.500 0.090 0.000 2.242 159 R HA 0.323 4.743 4.340 0.133 0.000 0.334 159 R C -2.204 174.131 176.300 0.059 0.000 1.071 159 R CA -1.359 54.787 56.100 0.077 0.000 0.922 159 R CB 0.410 30.766 30.300 0.093 0.000 1.023 159 R HN 0.263 nan 8.270 nan 0.000 0.458 160 P HA 0.089 nan 4.420 nan 0.000 0.269 160 P C 0.174 177.499 177.300 0.041 0.000 1.211 160 P CA 0.148 63.270 63.100 0.037 0.000 0.781 160 P CB 0.740 32.457 31.700 0.029 0.000 0.877 161 G N -0.488 108.336 108.800 0.041 0.000 2.490 161 G HA2 0.503 4.542 3.960 0.133 0.000 0.308 161 G HA3 0.503 4.542 3.960 0.133 0.000 0.308 161 G C -1.274 173.657 174.900 0.052 0.000 1.286 161 G CA -0.447 44.686 45.100 0.054 0.000 0.825 161 G HN 0.541 nan 8.290 nan 0.000 0.479 162 S N -1.143 114.604 115.700 0.078 0.000 2.617 162 S HA 0.862 5.411 4.470 0.133 0.000 0.283 162 S C -0.087 174.583 174.600 0.117 0.000 1.189 162 S CA 0.158 58.410 58.200 0.087 0.000 1.036 162 S CB 1.804 65.078 63.200 0.122 0.000 1.014 162 S HN 2.083 nan 8.310 nan 0.000 0.522 163 A N 1.629 124.507 122.820 0.097 0.000 2.422 163 A HA 0.750 5.150 4.320 0.133 0.000 0.302 163 A C -1.344 176.350 177.584 0.184 0.000 1.041 163 A CA -0.670 51.472 52.037 0.175 0.000 0.708 163 A CB 1.034 20.054 19.000 0.034 0.000 1.257 163 A HN 0.945 nan 8.150 nan 0.000 0.414 164 F N 2.620 122.598 119.950 0.047 0.000 2.495 164 F HA 0.705 5.320 4.527 0.147 0.000 0.327 164 F C -1.025 174.713 175.800 -0.102 0.000 1.103 164 F CA -0.814 57.089 58.000 -0.163 0.000 0.949 164 F CB 2.008 40.728 39.000 -0.468 0.000 1.142 164 F HN 0.359 nan 8.300 nan 0.000 0.457 165 V N 4.762 124.090 119.914 -0.977 0.000 2.483 165 V HA 0.367 4.567 4.120 0.133 0.000 0.297 165 V C -0.491 174.938 176.094 -1.109 0.000 1.027 165 V CA -0.797 61.060 62.300 -0.738 0.000 0.855 165 V CB 1.509 33.148 31.823 -0.307 0.000 0.995 165 V HN 0.827 nan 8.190 nan 0.000 0.424 166 S N 5.748 120.963 115.700 -0.809 0.000 2.475 166 S HA 0.687 5.236 4.470 0.133 0.000 0.281 166 S C -0.623 173.829 174.600 -0.246 0.000 1.198 166 S CA -0.471 57.433 58.200 -0.493 0.000 1.063 166 S CB 0.261 63.365 63.200 -0.161 0.000 0.972 166 S HN 0.577 nan 8.310 nan 0.000 0.486 167 L N 6.909 128.029 121.223 -0.172 0.000 2.337 167 L HA 0.409 4.828 4.340 0.133 0.000 0.269 167 L C -2.402 174.442 176.870 -0.044 0.000 1.018 167 L CA -2.180 52.601 54.840 -0.099 0.000 0.876 167 L CB 1.536 43.537 42.059 -0.096 0.000 1.236 167 L HN 0.445 nan 8.230 nan 0.000 0.436 168 P HA -0.042 nan 4.420 nan 0.000 0.265 168 P C 0.436 177.737 177.300 0.002 0.000 1.193 168 P CA 0.095 63.192 63.100 -0.006 0.000 0.765 168 P CB 0.743 32.440 31.700 -0.005 0.000 0.823 169 Q N 3.157 122.964 119.800 0.012 0.000 2.152 169 Q HA -0.268 4.151 4.340 0.133 0.000 0.206 169 Q C 1.326 177.340 176.000 0.023 0.000 0.985 169 Q CA 2.102 57.916 55.803 0.018 0.000 0.863 169 Q CB -0.177 28.574 28.738 0.020 0.000 0.904 169 Q HN 0.536 nan 8.270 nan 0.000 0.422 170 D N -0.830 119.583 120.400 0.022 0.000 2.183 170 D HA -0.125 4.594 4.640 0.133 0.000 0.203 170 D C 1.832 178.151 176.300 0.031 0.000 0.969 170 D CA 1.046 55.063 54.000 0.029 0.000 0.842 170 D CB -0.343 40.471 40.800 0.024 0.000 0.957 170 D HN 0.245 nan 8.370 nan 0.000 0.484 171 V N 0.876 120.801 119.914 0.018 0.000 2.453 171 V HA -0.159 4.040 4.120 0.133 0.000 0.247 171 V C 2.794 178.898 176.094 0.017 0.000 1.048 171 V CA 0.950 63.258 62.300 0.012 0.000 1.049 171 V CB -0.101 31.718 31.823 -0.006 0.000 0.672 171 V HN 0.108 nan 8.190 nan 0.000 0.457 172 V N -0.034 119.890 119.914 0.017 0.000 2.649 172 V HA -0.113 4.087 4.120 0.133 0.000 0.248 172 V C 2.019 178.154 176.094 0.068 0.000 1.054 172 V CA 1.679 63.991 62.300 0.020 0.000 1.073 172 V CB -0.423 31.401 31.823 0.002 0.000 0.699 172 V HN 0.514 nan 8.190 nan 0.000 0.463 173 D N 0.427 120.875 120.400 0.080 0.000 2.213 173 D HA 0.082 4.801 4.640 0.133 0.000 0.205 173 D C 1.249 177.699 176.300 0.250 0.000 0.961 173 D CA 0.918 55.003 54.000 0.141 0.000 0.853 173 D CB -0.201 40.650 40.800 0.084 0.000 0.967 173 D HN 0.455 nan 8.370 nan 0.000 0.496 174 G N 1.285 110.166 108.800 0.135 0.000 2.507 174 G HA2 0.385 4.425 3.960 0.133 0.000 0.271 174 G HA3 0.385 4.425 3.960 0.133 0.000 0.271 174 G C -2.425 172.518 174.900 0.071 0.000 1.189 174 G CA -0.969 44.187 45.100 0.094 0.000 0.859 174 G HN -0.066 nan 8.290 nan 0.000 0.542 175 P HA 0.295 nan 4.420 nan 0.000 0.272 175 P C -0.625 176.716 177.300 0.068 0.000 1.230 175 P CA -0.151 62.965 63.100 0.026 0.000 0.788 175 P CB 1.849 33.542 31.700 -0.012 0.000 0.949 176 V N 0.727 120.719 119.914 0.130 0.000 3.087 176 V HA 0.540 4.740 4.120 0.133 0.000 0.306 176 V C -1.107 175.131 176.094 0.240 0.000 1.187 176 V CA -0.615 61.764 62.300 0.131 0.000 0.999 176 V CB 2.445 34.306 31.823 0.065 0.000 1.049 176 V HN 0.784 nan 8.190 nan 0.000 0.431 177 S N 3.583 119.390 115.700 0.178 0.000 2.498 177 S HA 0.994 5.544 4.470 0.133 0.000 0.317 177 S C -0.237 174.480 174.600 0.195 0.000 1.090 177 S CA 0.080 58.398 58.200 0.197 0.000 1.089 177 S CB 1.092 64.350 63.200 0.096 0.000 0.997 177 S HN 2.162 nan 8.310 nan 0.000 0.470 178 G N 2.126 111.105 108.800 0.298 0.000 2.338 178 G HA2 0.461 4.500 3.960 0.133 0.000 0.295 178 G HA3 0.461 4.500 3.960 0.133 0.000 0.295 178 G C -1.915 173.193 174.900 0.347 0.000 1.461 178 G CA -1.081 44.148 45.100 0.215 0.000 0.817 178 G HN 0.888 nan 8.290 nan 0.000 0.556 179 K N -0.370 120.152 120.400 0.203 0.000 2.208 179 K HA 0.803 5.202 4.320 0.133 0.000 0.247 179 K C -0.265 176.411 176.600 0.126 0.000 0.953 179 K CA -0.885 55.533 56.287 0.219 0.000 0.837 179 K CB 2.483 35.059 32.500 0.128 0.000 1.131 179 K HN 0.303 nan 8.250 nan 0.000 0.431 180 V N 2.584 122.583 119.914 0.142 0.000 2.843 180 V HA 0.042 4.241 4.120 0.133 0.000 0.305 180 V C 0.237 176.338 176.094 0.011 0.000 1.065 180 V CA -0.246 62.074 62.300 0.033 0.000 1.116 180 V CB 0.313 32.169 31.823 0.055 0.000 0.968 180 V HN 0.554 nan 8.190 nan 0.000 0.487 181 L N 6.989 128.195 121.223 -0.028 0.000 2.272 181 L HA 0.416 4.836 4.340 0.133 0.000 0.289 181 L C -2.016 174.827 176.870 -0.044 0.000 1.032 181 L CA -1.762 53.063 54.840 -0.026 0.000 0.810 181 L CB 1.710 43.752 42.059 -0.028 0.000 1.205 181 L HN 0.480 nan 8.230 nan 0.000 0.422 182 P HA 0.018 nan 4.420 nan 0.000 0.266 182 P C -0.582 176.683 177.300 -0.058 0.000 1.195 182 P CA -0.345 62.729 63.100 -0.043 0.000 0.768 182 P CB 0.989 32.674 31.700 -0.026 0.000 0.838 183 A N 2.875 125.647 122.820 -0.079 0.000 2.395 183 A HA 0.242 4.642 4.320 0.133 0.000 0.286 183 A C 1.623 179.176 177.584 -0.052 0.000 1.193 183 A CA 0.051 52.035 52.037 -0.088 0.000 0.852 183 A CB -0.458 18.466 19.000 -0.127 0.000 1.118 183 A HN 0.586 nan 8.150 nan 0.000 0.524 184 S N 3.140 118.819 115.700 -0.036 0.000 2.387 184 S HA 0.327 4.876 4.470 0.133 0.000 0.226 184 S C 1.382 175.972 174.600 -0.016 0.000 1.026 184 S CA 0.933 59.120 58.200 -0.020 0.000 0.972 184 S CB -0.897 62.295 63.200 -0.012 0.000 0.814 184 S HN 2.536 nan 8.310 nan 0.000 0.477 185 G N 1.486 110.278 108.800 -0.014 0.000 2.542 185 G HA2 0.156 4.195 3.960 0.133 0.000 0.235 185 G HA3 0.156 4.195 3.960 0.133 0.000 0.235 185 G C -0.068 174.833 174.900 0.003 0.000 1.286 185 G CA -0.247 44.850 45.100 -0.005 0.000 0.904 185 G HN 1.488 nan 8.290 nan 0.000 0.577 186 A N 1.133 123.955 122.820 0.004 0.000 2.354 186 A HA 0.709 5.108 4.320 0.133 0.000 0.281 186 A C -1.104 176.483 177.584 0.005 0.000 1.174 186 A CA -0.190 51.851 52.037 0.007 0.000 0.828 186 A CB -0.238 18.767 19.000 0.007 0.000 1.099 186 A HN 0.721 nan 8.150 nan 0.000 0.516 187 P HA 0.116 nan 4.420 nan 0.000 0.270 187 P C -0.476 176.827 177.300 0.006 0.000 1.227 187 P CA -0.051 63.053 63.100 0.007 0.000 0.788 187 P CB 0.372 32.078 31.700 0.010 0.000 0.926 188 Q N 0.984 120.787 119.800 0.005 0.000 2.472 188 Q HA 0.268 4.688 4.340 0.133 0.000 0.227 188 Q C -0.288 175.716 176.000 0.006 0.000 1.156 188 Q CA -0.008 55.798 55.803 0.004 0.000 0.924 188 Q CB 0.263 29.003 28.738 0.003 0.000 1.354 188 Q HN 0.440 nan 8.270 nan 0.000 0.525 189 M N 1.328 120.933 119.600 0.008 0.000 2.233 189 M HA 0.396 4.956 4.480 0.133 0.000 0.355 189 M C 0.226 176.531 176.300 0.009 0.000 1.191 189 M CA -0.348 54.958 55.300 0.010 0.000 1.101 189 M CB 0.891 33.499 32.600 0.013 0.000 1.592 189 M HN 0.593 nan 8.290 nan 0.000 0.461 190 G N 2.667 111.474 108.800 0.010 0.000 2.569 190 G HA2 0.514 4.554 3.960 0.133 0.000 0.249 190 G HA3 0.514 4.554 3.960 0.133 0.000 0.249 190 G C -0.297 174.609 174.900 0.011 0.000 1.216 190 G CA -0.391 44.715 45.100 0.010 0.000 0.845 190 G HN 0.969 nan 8.290 nan 0.000 0.568 191 A N 0.432 123.257 122.820 0.010 0.000 2.292 191 A HA 0.723 5.122 4.320 0.133 0.000 0.265 191 A C 1.136 178.729 177.584 0.015 0.000 1.133 191 A CA 0.323 52.366 52.037 0.010 0.000 0.807 191 A CB -0.112 18.893 19.000 0.008 0.000 1.102 191 A HN 1.845 nan 8.150 nan 0.000 0.502 192 A N 0.518 123.349 122.820 0.019 0.000 2.386 192 A HA 0.531 4.930 4.320 0.133 0.000 0.246 192 A C -2.050 175.547 177.584 0.021 0.000 1.089 192 A CA -0.967 51.085 52.037 0.024 0.000 0.790 192 A CB -0.723 18.295 19.000 0.031 0.000 1.042 192 A HN 0.673 nan 8.150 nan 0.000 0.497 193 P HA 0.032 nan 4.420 nan 0.000 0.265 193 P C -0.508 176.804 177.300 0.019 0.000 1.193 193 P CA 0.201 63.312 63.100 0.018 0.000 0.765 193 P CB 0.514 32.225 31.700 0.018 0.000 0.823 194 D N 2.143 122.553 120.400 0.016 0.000 2.116 194 D HA -0.229 4.490 4.640 0.133 0.000 0.193 194 D C 1.416 177.726 176.300 0.017 0.000 0.998 194 D CA 2.190 56.200 54.000 0.016 0.000 0.836 194 D CB -0.550 40.258 40.800 0.013 0.000 0.951 194 D HN 0.568 nan 8.370 nan 0.000 0.449 195 D N 0.449 120.859 120.400 0.016 0.000 2.182 195 D HA -0.137 4.582 4.640 0.133 0.000 0.201 195 D C 1.809 178.120 176.300 0.019 0.000 0.986 195 D CA 1.478 55.487 54.000 0.016 0.000 0.847 195 D CB -0.384 40.424 40.800 0.013 0.000 0.942 195 D HN 0.239 nan 8.370 nan 0.000 0.467 196 A N 0.410 123.242 122.820 0.021 0.000 1.929 196 A HA 0.017 4.417 4.320 0.133 0.000 0.216 196 A C 2.365 179.966 177.584 0.029 0.000 1.176 196 A CA 0.855 52.907 52.037 0.025 0.000 0.628 196 A CB -0.713 18.305 19.000 0.028 0.000 0.816 196 A HN 0.292 nan 8.150 nan 0.000 0.444 197 I N -0.040 120.547 120.570 0.028 0.000 2.179 197 I HA -0.232 4.018 4.170 0.133 0.000 0.242 197 I C 1.796 177.930 176.117 0.029 0.000 1.088 197 I CA 1.485 62.804 61.300 0.031 0.000 1.357 197 I CB -0.468 37.548 38.000 0.026 0.000 1.051 197 I HN 0.292 nan 8.210 nan 0.000 0.409 198 D N 0.344 120.758 120.400 0.024 0.000 2.149 198 D HA -0.251 4.468 4.640 0.133 0.000 0.198 198 D C 2.049 178.363 176.300 0.023 0.000 0.990 198 D CA 1.206 55.219 54.000 0.022 0.000 0.839 198 D CB -0.226 40.586 40.800 0.019 0.000 0.948 198 D HN 0.460 nan 8.370 nan 0.000 0.460 199 Q N 0.513 120.326 119.800 0.023 0.000 2.119 199 Q HA -0.111 4.309 4.340 0.133 0.000 0.201 199 Q C 2.128 178.143 176.000 0.025 0.000 0.972 199 Q CA 0.869 56.685 55.803 0.022 0.000 0.847 199 Q CB 0.291 29.042 28.738 0.022 0.000 0.903 199 Q HN 0.097 nan 8.270 nan 0.000 0.433 200 V N 0.515 120.448 119.914 0.031 0.000 2.488 200 V HA -0.151 4.048 4.120 0.133 0.000 0.246 200 V C 2.284 178.396 176.094 0.030 0.000 1.046 200 V CA 1.426 63.748 62.300 0.035 0.000 1.053 200 V CB -0.727 31.127 31.823 0.052 0.000 0.679 200 V HN 0.445 nan 8.190 nan 0.000 0.458 201 A N 0.528 123.366 122.820 0.031 0.000 1.940 201 A HA -0.223 4.177 4.320 0.133 0.000 0.219 201 A C 2.439 180.033 177.584 0.017 0.000 1.176 201 A CA 2.506 54.558 52.037 0.025 0.000 0.631 201 A CB -0.607 18.408 19.000 0.026 0.000 0.814 201 A HN 0.535 nan 8.150 nan 0.000 0.446 202 K N -0.098 120.313 120.400 0.019 0.000 2.062 202 K HA 0.167 4.567 4.320 0.133 0.000 0.205 202 K C 1.937 178.545 176.600 0.014 0.000 1.051 202 K CA 1.333 57.631 56.287 0.018 0.000 0.941 202 K CB -1.063 31.448 32.500 0.019 0.000 0.719 202 K HN 0.494 nan 8.250 nan 0.000 0.440 203 L N 0.025 121.255 121.223 0.011 0.000 2.083 203 L HA -0.065 4.355 4.340 0.133 0.000 0.209 203 L C 2.693 179.559 176.870 -0.008 0.000 1.083 203 L CA 1.139 55.982 54.840 0.005 0.000 0.752 203 L CB -0.402 41.662 42.059 0.007 0.000 0.899 203 L HN 0.294 nan 8.230 nan 0.000 0.433 204 I N -0.131 120.430 120.570 -0.015 0.000 2.286 204 I HA -0.271 3.978 4.170 0.133 0.000 0.248 204 I C 2.760 178.856 176.117 -0.036 0.000 1.115 204 I CA 1.094 62.370 61.300 -0.040 0.000 1.392 204 I CB -0.426 37.551 38.000 -0.039 0.000 1.065 204 I HN 0.203 nan 8.210 nan 0.000 0.418 205 A N 0.881 123.694 122.820 -0.012 0.000 1.972 205 A HA -0.231 4.168 4.320 0.133 0.000 0.219 205 A C 2.150 179.756 177.584 0.037 0.000 1.169 205 A CA 1.726 53.774 52.037 0.018 0.000 0.635 205 A CB -0.550 18.476 19.000 0.043 0.000 0.810 205 A HN 0.685 nan 8.150 nan 0.000 0.446 206 Q N -0.993 118.819 119.800 0.021 0.000 2.282 206 Q HA 0.584 5.004 4.340 0.133 0.000 0.206 206 Q C 0.524 176.531 176.000 0.012 0.000 0.878 206 Q CA 0.261 56.077 55.803 0.022 0.000 0.944 206 Q CB -0.082 28.667 28.738 0.018 0.000 1.100 206 Q HN 0.419 nan 8.270 nan 0.000 0.509 207 A N 0.726 123.545 122.820 -0.001 0.000 2.388 207 A HA 0.515 4.915 4.320 0.133 0.000 0.257 207 A C 0.917 178.497 177.584 -0.006 0.000 1.095 207 A CA 0.279 52.309 52.037 -0.012 0.000 0.791 207 A CB 0.809 19.786 19.000 -0.038 0.000 1.029 207 A HN 0.400 nan 8.150 nan 0.000 0.489 208 K N 1.478 121.876 120.400 -0.004 0.000 2.214 208 K HA 0.123 4.523 4.320 0.133 0.000 0.201 208 K C 0.414 177.010 176.600 -0.007 0.000 1.049 208 K CA 1.443 57.731 56.287 0.002 0.000 0.978 208 K CB -0.233 32.270 32.500 0.005 0.000 0.842 208 K HN 0.787 nan 8.250 nan 0.000 0.474 209 N N 1.044 119.735 118.700 -0.015 0.000 2.813 209 N HA 0.224 5.044 4.740 0.133 0.000 0.282 209 N C -3.017 172.467 175.510 -0.043 0.000 1.748 209 N CA -1.504 51.533 53.050 -0.022 0.000 0.860 209 N CB 2.162 40.643 38.487 -0.010 0.000 1.204 209 N HN 0.308 nan 8.380 nan 0.000 0.490 210 P HA 0.368 nan 4.420 nan 0.000 0.278 210 P C -0.545 176.651 177.300 -0.172 0.000 1.258 210 P CA -0.472 62.544 63.100 -0.139 0.000 0.811 210 P CB 1.953 33.539 31.700 -0.189 0.000 1.063 211 I N -0.095 120.328 120.570 -0.245 0.000 2.785 211 I HA 0.359 4.609 4.170 0.133 0.000 0.293 211 I C -1.583 174.380 176.117 -0.258 0.000 1.446 211 I CA -1.004 60.167 61.300 -0.214 0.000 1.028 211 I CB 1.392 39.336 38.000 -0.094 0.000 1.349 211 I HN 0.111 nan 8.210 nan 0.000 0.438 212 F N 7.074 127.009 119.950 -0.025 0.000 2.408 212 F HA 0.488 5.095 4.527 0.133 0.000 0.344 212 F C -0.335 175.394 175.800 -0.119 0.000 1.112 212 F CA -0.749 57.218 58.000 -0.055 0.000 1.096 212 F CB 1.658 40.633 39.000 -0.042 0.000 1.129 212 F HN 0.239 nan 8.300 nan 0.000 0.486 213 L N 6.014 127.250 121.223 0.021 0.000 2.294 213 L HA 0.508 4.927 4.340 0.133 0.000 0.283 213 L C -1.169 175.624 176.870 -0.128 0.000 1.015 213 L CA -0.545 54.172 54.840 -0.205 0.000 0.831 213 L CB 0.641 42.373 42.059 -0.546 0.000 1.217 213 L HN 0.453 nan 8.230 nan 0.000 0.420 214 L N 5.088 126.259 121.223 -0.086 0.000 2.312 214 L HA 0.782 5.202 4.340 0.133 0.000 0.281 214 L C 0.807 177.683 176.870 0.009 0.000 1.070 214 L CA -0.396 54.424 54.840 -0.032 0.000 0.805 214 L CB 1.256 43.297 42.059 -0.030 0.000 1.174 214 L HN 0.761 nan 8.230 nan 0.000 0.434 215 G N 0.834 109.691 108.800 0.094 0.000 2.932 215 G HA2 0.406 4.446 3.960 0.133 0.000 0.283 215 G HA3 0.406 4.446 3.960 0.133 0.000 0.283 215 G C 0.353 175.304 174.900 0.086 0.000 1.336 215 G CA -0.743 44.462 45.100 0.176 0.000 1.056 215 G HN 0.535 nan 8.290 nan 0.000 0.522 216 L N -0.015 121.253 121.223 0.076 0.000 2.011 216 L HA -0.217 4.203 4.340 0.133 0.000 0.225 216 L C 2.645 179.528 176.870 0.022 0.000 1.084 216 L CA 2.437 57.300 54.840 0.037 0.000 0.791 216 L CB -0.396 41.681 42.059 0.030 0.000 0.898 216 L HN 0.420 nan 8.230 nan 0.000 0.440 217 M N -0.685 118.933 119.600 0.030 0.000 2.267 217 M HA -0.119 4.440 4.480 0.133 0.000 0.263 217 M C 2.345 178.642 176.300 -0.006 0.000 1.063 217 M CA 1.645 56.955 55.300 0.016 0.000 1.090 217 M CB -1.943 30.674 32.600 0.029 0.000 1.392 217 M HN 0.534 nan 8.290 nan 0.000 0.422 218 A N 0.195 123.009 122.820 -0.010 0.000 2.067 218 A HA -0.076 4.323 4.320 0.133 0.000 0.219 218 A C 2.283 179.835 177.584 -0.053 0.000 1.158 218 A CA 1.791 53.801 52.037 -0.044 0.000 0.661 218 A CB -0.698 18.269 19.000 -0.054 0.000 0.801 218 A HN 0.604 nan 8.150 nan 0.000 0.452 219 S N -0.802 114.876 115.700 -0.036 0.000 2.593 219 S HA 0.086 4.635 4.470 0.133 0.000 0.217 219 S C 0.529 175.105 174.600 -0.041 0.000 0.966 219 S CA -0.368 57.806 58.200 -0.044 0.000 0.914 219 S CB -0.132 63.046 63.200 -0.037 0.000 0.776 219 S HN 0.460 nan 8.310 nan 0.000 0.523 220 Q N 1.963 121.744 119.800 -0.033 0.000 2.352 220 Q HA 0.267 4.687 4.340 0.133 0.000 0.260 220 Q C -1.800 174.180 176.000 -0.033 0.000 0.976 220 Q CA -1.965 53.822 55.803 -0.027 0.000 0.881 220 Q CB 0.376 29.104 28.738 -0.016 0.000 1.235 220 Q HN 0.151 nan 8.270 nan 0.000 0.419 221 P HA -0.209 nan 4.420 nan 0.000 0.216 221 P C 0.559 177.842 177.300 -0.029 0.000 1.150 221 P CA 1.532 64.614 63.100 -0.030 0.000 0.837 221 P CB 0.236 31.922 31.700 -0.024 0.000 0.786 222 E N -0.740 119.446 120.200 -0.023 0.000 2.267 222 E HA -0.170 4.260 4.350 0.133 0.000 0.197 222 E C 1.105 177.688 176.600 -0.029 0.000 0.998 222 E CA 1.002 57.389 56.400 -0.022 0.000 0.830 222 E CB -0.778 28.913 29.700 -0.014 0.000 0.751 222 E HN 0.336 nan 8.360 nan 0.000 0.491 223 N N -0.025 118.652 118.700 -0.038 0.000 2.184 223 N HA 0.054 4.874 4.740 0.133 0.000 0.206 223 N C 1.125 176.594 175.510 -0.068 0.000 1.151 223 N CA 0.308 53.327 53.050 -0.052 0.000 0.878 223 N CB 0.729 39.184 38.487 -0.055 0.000 1.014 223 N HN 0.047 nan 8.380 nan 0.000 0.512 224 S N 1.844 117.508 115.700 -0.060 0.000 2.359 224 S HA -0.250 4.300 4.470 0.133 0.000 0.222 224 S C 2.336 176.893 174.600 -0.071 0.000 1.038 224 S CA 2.506 60.666 58.200 -0.067 0.000 1.051 224 S CB -0.078 63.090 63.200 -0.053 0.000 0.944 224 S HN 0.487 nan 8.310 nan 0.000 0.433 225 K N 0.967 121.333 120.400 -0.056 0.000 2.057 225 K HA 0.186 4.586 4.320 0.133 0.000 0.207 225 K C 2.418 178.981 176.600 -0.062 0.000 1.049 225 K CA 1.846 58.102 56.287 -0.051 0.000 0.931 225 K CB -1.689 30.789 32.500 -0.036 0.000 0.714 225 K HN 0.682 nan 8.250 nan 0.000 0.440 226 A N 0.731 123.512 122.820 -0.065 0.000 1.883 226 A HA 0.004 4.403 4.320 0.133 0.000 0.217 226 A C 2.431 179.948 177.584 -0.113 0.000 1.186 226 A CA 1.859 53.851 52.037 -0.075 0.000 0.624 226 A CB -0.539 18.420 19.000 -0.069 0.000 0.822 226 A HN 0.610 nan 8.150 nan 0.000 0.444 227 L N -0.018 121.121 121.223 -0.139 0.000 1.989 227 L HA -0.167 4.253 4.340 0.133 0.000 0.211 227 L C 2.905 179.651 176.870 -0.207 0.000 1.071 227 L CA 3.153 57.869 54.840 -0.207 0.000 0.749 227 L CB -1.116 40.821 42.059 -0.204 0.000 0.890 227 L HN 0.470 nan 8.230 nan 0.000 0.431 228 R N 0.105 120.513 120.500 -0.153 0.000 2.096 228 R HA -0.218 4.202 4.340 0.133 0.000 0.240 228 R C 2.466 178.713 176.300 -0.089 0.000 1.139 228 R CA 2.125 58.150 56.100 -0.126 0.000 0.952 228 R CB -1.613 28.639 30.300 -0.079 0.000 0.854 228 R HN 0.634 nan 8.270 nan 0.000 0.436 229 R N -0.265 120.193 120.500 -0.071 0.000 2.091 229 R HA -0.087 4.333 4.340 0.133 0.000 0.238 229 R C 2.382 178.658 176.300 -0.040 0.000 1.136 229 R CA 1.892 57.968 56.100 -0.041 0.000 0.959 229 R CB -0.455 29.823 30.300 -0.037 0.000 0.856 229 R HN 0.417 nan 8.270 nan 0.000 0.437 230 L N 1.088 122.259 121.223 -0.086 0.000 2.056 230 L HA -0.106 4.314 4.340 0.133 0.000 0.207 230 L C 2.042 178.888 176.870 -0.039 0.000 1.078 230 L CA 1.582 56.373 54.840 -0.080 0.000 0.749 230 L CB -0.337 41.608 42.059 -0.190 0.000 0.901 230 L HN 0.221 nan 8.230 nan 0.000 0.433 231 L N -0.682 120.462 121.223 -0.132 0.000 2.056 231 L HA -0.193 4.226 4.340 0.133 0.000 0.207 231 L C 2.555 179.536 176.870 0.184 0.000 1.078 231 L CA 1.659 56.432 54.840 -0.112 0.000 0.749 231 L CB -0.671 41.050 42.059 -0.564 0.000 0.901 231 L HN 0.424 nan 8.230 nan 0.000 0.433 232 E N -0.117 120.162 120.200 0.131 0.000 2.110 232 E HA -0.196 4.233 4.350 0.133 0.000 0.193 232 E C 1.900 178.575 176.600 0.125 0.000 0.988 232 E CA 1.761 58.294 56.400 0.222 0.000 0.804 232 E CB 0.145 29.911 29.700 0.111 0.000 0.745 232 E HN 0.375 nan 8.360 nan 0.000 0.458 233 T N -0.468 114.126 114.554 0.066 0.000 2.896 233 T HA -0.091 4.339 4.350 0.133 0.000 0.263 233 T C 1.973 176.677 174.700 0.006 0.000 1.050 233 T CA 1.302 63.406 62.100 0.008 0.000 1.140 233 T CB -0.060 68.817 68.868 0.014 0.000 0.877 233 T HN 0.276 nan 8.240 nan 0.000 0.457 234 S N -0.191 115.574 115.700 0.109 0.000 2.483 234 S HA 0.060 4.609 4.470 0.133 0.000 0.221 234 S C 0.685 175.441 174.600 0.261 0.000 1.030 234 S CA 0.025 58.306 58.200 0.136 0.000 0.925 234 S CB -0.529 62.794 63.200 0.206 0.000 0.795 234 S HN 0.665 nan 8.310 nan 0.000 0.511 235 H N 0.708 119.925 119.070 0.246 0.000 2.776 235 H HA -0.101 4.534 4.556 0.133 0.000 0.300 235 H C -0.757 174.752 175.328 0.302 0.000 1.161 235 H CA 0.403 56.643 56.048 0.320 0.000 1.147 235 H CB -1.595 28.262 29.762 0.159 0.000 1.366 235 H HN 0.497 nan 8.280 nan 0.000 0.397 236 I N 1.335 122.180 120.570 0.459 0.000 2.428 236 I HA 0.147 4.397 4.170 0.133 0.000 0.289 236 I C -1.801 174.564 176.117 0.412 0.000 1.019 236 I CA -1.849 59.609 61.300 0.264 0.000 1.351 236 I CB 1.019 39.022 38.000 0.006 0.000 1.412 236 I HN -0.115 nan 8.210 nan 0.000 0.513 237 P HA 0.017 nan 4.420 nan 0.000 0.266 237 P C -1.001 176.488 177.300 0.315 0.000 1.193 237 P CA 0.100 63.346 63.100 0.243 0.000 0.770 237 P CB 0.533 32.268 31.700 0.057 0.000 0.836 238 V N 2.467 122.603 119.914 0.370 0.000 2.709 238 V HA 0.566 4.765 4.120 0.133 0.000 0.308 238 V C 0.062 176.205 176.094 0.083 0.000 1.062 238 V CA -0.258 62.213 62.300 0.284 0.000 0.901 238 V CB 2.238 34.261 31.823 0.332 0.000 1.003 238 V HN 0.512 nan 8.190 nan 0.000 0.425 239 T N 2.783 117.326 114.554 -0.018 0.000 2.906 239 T HA 0.756 5.185 4.350 0.133 0.000 0.295 239 T C -0.815 173.819 174.700 -0.109 0.000 1.061 239 T CA -0.249 61.744 62.100 -0.178 0.000 1.000 239 T CB 1.738 70.469 68.868 -0.228 0.000 1.103 239 T HN 0.731 nan 8.240 nan 0.000 0.486 240 S N 1.310 116.931 115.700 -0.132 0.000 2.569 240 S HA 0.642 5.191 4.470 0.133 0.000 0.280 240 S C -0.132 174.330 174.600 -0.231 0.000 1.111 240 S CA -0.963 57.173 58.200 -0.106 0.000 0.887 240 S CB 1.790 65.007 63.200 0.030 0.000 1.095 240 S HN 1.019 nan 8.310 nan 0.000 0.476 241 T N -0.441 114.018 114.554 -0.159 0.000 2.788 241 T HA 0.343 4.773 4.350 0.133 0.000 0.287 241 T C 0.575 175.157 174.700 -0.197 0.000 1.007 241 T CA -0.205 61.808 62.100 -0.144 0.000 1.005 241 T CB 0.031 68.951 68.868 0.087 0.000 1.012 241 T HN 0.506 nan 8.240 nan 0.000 0.530 242 Y N 0.250 120.554 120.300 0.007 0.000 2.421 242 Y HA -0.054 4.577 4.550 0.134 0.000 0.292 242 Y C 3.027 178.943 175.900 0.026 0.000 1.136 242 Y CA 1.069 59.184 58.100 0.024 0.000 1.255 242 Y CB -0.361 38.117 38.460 0.030 0.000 0.991 242 Y HN 0.668 nan 8.280 nan 0.000 0.552 243 Q N -0.757 119.121 119.800 0.131 0.000 2.224 243 Q HA -0.069 4.351 4.340 0.133 0.000 0.203 243 Q C 1.613 177.633 176.000 0.033 0.000 0.970 243 Q CA 1.099 56.948 55.803 0.077 0.000 0.865 243 Q CB -0.066 28.713 28.738 0.069 0.000 0.922 243 Q HN 0.434 nan 8.270 nan 0.000 0.445 244 A N -0.113 122.718 122.820 0.018 0.000 2.545 244 A HA 0.476 4.875 4.320 0.133 0.000 0.277 244 A C 1.675 179.246 177.584 -0.021 0.000 1.301 244 A CA 0.461 52.495 52.037 -0.006 0.000 0.935 244 A CB -0.003 18.995 19.000 -0.002 0.000 1.093 244 A HN 0.274 nan 8.150 nan 0.000 0.519 245 A N -0.100 122.710 122.820 -0.016 0.000 1.948 245 A HA 0.006 4.406 4.320 0.133 0.000 0.220 245 A C 2.068 179.637 177.584 -0.025 0.000 1.177 245 A CA 1.930 53.960 52.037 -0.012 0.000 0.636 245 A CB -0.741 18.291 19.000 0.054 0.000 0.815 245 A HN 0.868 nan 8.150 nan 0.000 0.449 246 G N -1.709 107.068 108.800 -0.039 0.000 2.985 246 G HA2 0.305 4.344 3.960 0.133 0.000 0.209 246 G HA3 0.305 4.344 3.960 0.133 0.000 0.209 246 G C 1.344 176.193 174.900 -0.085 0.000 1.165 246 G CA 0.943 46.006 45.100 -0.063 0.000 0.776 246 G HN 0.701 nan 8.290 nan 0.000 0.541 247 A N -0.318 122.453 122.820 -0.082 0.000 1.898 247 A HA 0.395 4.795 4.320 0.133 0.000 0.216 247 A C 0.826 178.326 177.584 -0.141 0.000 1.181 247 A CA 1.170 53.150 52.037 -0.096 0.000 0.620 247 A CB 0.096 19.049 19.000 -0.078 0.000 0.819 247 A HN 0.322 nan 8.150 nan 0.000 0.442 248 V N -0.763 119.034 119.914 -0.195 0.000 3.087 248 V HA 0.525 4.724 4.120 0.133 0.000 0.306 248 V C -1.098 174.586 176.094 -0.683 0.000 1.187 248 V CA -0.950 61.160 62.300 -0.317 0.000 0.999 248 V CB 2.017 33.708 31.823 -0.220 0.000 1.049 248 V HN 0.452 nan 8.190 nan 0.000 0.431 249 N N 0.595 118.870 118.700 -0.708 0.000 2.525 249 N HA 0.347 5.166 4.740 0.133 0.000 0.270 249 N C 0.403 175.571 175.510 -0.570 0.000 1.321 249 N CA -0.614 51.911 53.050 -0.874 0.000 0.797 249 N CB 2.293 40.586 38.487 -0.323 0.000 1.529 249 N HN 0.629 nan 8.380 nan 0.000 0.491 250 Q N 0.238 119.905 119.800 -0.222 0.000 2.173 250 Q HA -0.164 4.255 4.340 0.133 0.000 0.208 250 Q C 0.678 176.724 176.000 0.075 0.000 0.989 250 Q CA 2.340 58.236 55.803 0.156 0.000 0.872 250 Q CB -0.114 28.803 28.738 0.299 0.000 0.909 250 Q HN 0.736 nan 8.270 nan 0.000 0.420 251 D N -1.404 119.017 120.400 0.035 0.000 2.363 251 D HA -0.100 4.619 4.640 0.133 0.000 0.220 251 D C 0.399 176.714 176.300 0.026 0.000 0.994 251 D CA 0.997 55.018 54.000 0.034 0.000 0.890 251 D CB -0.395 40.426 40.800 0.034 0.000 0.906 251 D HN 0.585 nan 8.370 nan 0.000 0.530 252 N N -1.088 117.624 118.700 0.021 0.000 2.171 252 N HA 0.122 4.941 4.740 0.133 0.000 0.212 252 N C -0.852 174.762 175.510 0.174 0.000 1.184 252 N CA -0.613 52.468 53.050 0.052 0.000 0.888 252 N CB 0.212 38.700 38.487 0.002 0.000 1.038 252 N HN 0.047 nan 8.380 nan 0.000 0.517 253 F N 1.163 121.088 119.950 -0.042 0.000 2.991 253 F HA 0.320 4.927 4.527 0.133 0.000 0.355 253 F C 0.823 176.638 175.800 0.025 0.000 1.262 253 F CA -1.446 56.546 58.000 -0.014 0.000 1.127 253 F CB 0.930 39.937 39.000 0.012 0.000 1.447 253 F HN 0.053 nan 8.300 nan 0.000 0.584 254 S N 3.740 119.198 115.700 -0.403 0.000 2.440 254 S HA -0.109 4.441 4.470 0.133 0.000 0.238 254 S C 1.236 175.569 174.600 -0.445 0.000 1.010 254 S CA 0.926 58.915 58.200 -0.351 0.000 0.972 254 S CB -0.279 62.733 63.200 -0.314 0.000 0.774 254 S HN 0.756 nan 8.310 nan 0.000 0.501 255 R N -0.067 119.881 120.500 -0.919 0.000 2.552 255 R HA 0.342 4.762 4.340 0.133 0.000 0.314 255 R C -0.568 175.667 176.300 -0.109 0.000 1.041 255 R CA -0.482 55.281 56.100 -0.562 0.000 1.076 255 R CB -0.069 29.858 30.300 -0.623 0.000 1.290 255 R HN 0.421 nan 8.270 nan 0.000 0.563 256 F N 1.064 120.973 119.950 -0.069 0.000 2.484 256 F HA 0.173 4.780 4.527 0.132 0.000 0.360 256 F C 0.824 176.639 175.800 0.026 0.000 1.101 256 F CA -0.677 57.417 58.000 0.157 0.000 1.251 256 F CB 0.897 39.997 39.000 0.166 0.000 1.132 256 F HN -0.015 nan 8.300 nan 0.000 0.570 257 A N 4.579 127.001 122.820 -0.662 0.000 2.535 257 A HA 0.596 4.996 4.320 0.133 0.000 0.273 257 A C 0.766 177.909 177.584 -0.735 0.000 1.267 257 A CA 0.252 51.967 52.037 -0.538 0.000 0.940 257 A CB -1.115 17.712 19.000 -0.287 0.000 1.101 257 A HN 1.789 nan 8.150 nan 0.000 0.521 258 G N -0.346 107.557 108.800 -1.494 0.000 2.756 258 G HA2 -0.100 3.939 3.960 0.133 0.000 0.678 258 G HA3 -0.100 3.939 3.960 0.133 0.000 0.678 258 G C -0.568 174.008 174.900 -0.540 0.000 1.349 258 G CA -0.737 43.859 45.100 -0.839 0.000 0.847 258 G HN 0.602 nan 8.290 nan 0.000 0.548 259 R N -0.767 119.604 120.500 -0.215 0.000 2.349 259 R HA 0.582 5.001 4.340 0.133 0.000 0.299 259 R C 0.708 176.785 176.300 -0.371 0.000 1.027 259 R CA -0.095 55.786 56.100 -0.365 0.000 0.958 259 R CB 1.543 31.456 30.300 -0.645 0.000 1.047 259 R HN 1.080 nan 8.270 nan 0.000 0.468 260 V N 0.025 119.661 119.914 -0.463 0.000 2.630 260 V HA 0.915 5.115 4.120 0.133 0.000 0.305 260 V C 0.832 176.473 176.094 -0.756 0.000 1.046 260 V CA 0.115 62.117 62.300 -0.497 0.000 0.934 260 V CB 1.438 32.957 31.823 -0.507 0.000 1.003 260 V HN 0.916 nan 8.190 nan 0.000 0.451 261 G N 1.906 110.314 108.800 -0.654 0.000 2.551 261 G HA2 -0.148 3.892 3.960 0.133 0.000 0.186 261 G HA3 -0.148 3.892 3.960 0.133 0.000 0.186 261 G C 0.045 175.020 174.900 0.125 0.000 1.002 261 G CA 0.394 45.273 45.100 -0.368 0.000 0.723 261 G HN 0.920 nan 8.290 nan 0.000 0.481 262 L N -0.143 121.101 121.223 0.036 0.000 2.588 262 L HA 0.690 5.110 4.340 0.133 0.000 0.194 262 L C 0.422 176.901 176.870 -0.651 0.000 1.070 262 L CA 0.498 55.114 54.840 -0.373 0.000 0.852 262 L CB 0.026 41.635 42.059 -0.750 0.000 1.199 262 L HN 0.096 nan 8.230 nan 0.000 0.486 263 F N 0.718 120.552 119.950 -0.193 0.000 2.379 263 F HA 0.229 4.836 4.527 0.134 0.000 0.332 263 F C 1.132 176.573 175.800 -0.599 0.000 1.096 263 F CA -0.557 57.247 58.000 -0.326 0.000 1.105 263 F CB 0.470 39.367 39.000 -0.172 0.000 1.189 263 F HN 0.161 nan 8.300 nan 0.000 0.515 264 N N 0.148 118.652 118.700 -0.326 0.000 2.322 264 N HA -0.027 4.793 4.740 0.133 0.000 0.194 264 N C -0.492 175.003 175.510 -0.026 0.000 1.126 264 N CA -0.044 52.852 53.050 -0.257 0.000 0.845 264 N CB -0.572 37.867 38.487 -0.080 0.000 0.976 264 N HN 0.539 nan 8.380 nan 0.000 0.475 265 N N -0.723 117.968 118.700 -0.015 0.000 2.571 265 N HA 0.071 4.891 4.740 0.133 0.000 0.298 265 N C -0.931 174.558 175.510 -0.035 0.000 1.671 265 N CA -0.413 52.628 53.050 -0.016 0.000 0.900 265 N CB 0.136 38.599 38.487 -0.041 0.000 1.365 265 N HN -0.009 nan 8.380 nan 0.000 0.493 266 Q N 0.219 120.012 119.800 -0.011 0.000 2.243 266 Q HA 0.469 4.889 4.340 0.133 0.000 0.252 266 Q C 0.818 176.785 176.000 -0.055 0.000 0.909 266 Q CA -0.187 55.588 55.803 -0.047 0.000 0.922 266 Q CB 1.924 30.642 28.738 -0.033 0.000 1.215 266 Q HN 0.393 nan 8.270 nan 0.000 0.427 267 A N 2.881 125.639 122.820 -0.103 0.000 2.019 267 A HA -0.107 4.292 4.320 0.133 0.000 0.219 267 A C 1.844 179.372 177.584 -0.094 0.000 1.164 267 A CA 1.809 53.788 52.037 -0.096 0.000 0.644 267 A CB -0.679 18.244 19.000 -0.130 0.000 0.805 267 A HN 0.860 nan 8.150 nan 0.000 0.449 268 G N -0.028 108.690 108.800 -0.136 0.000 2.446 268 G HA2 -0.286 3.754 3.960 0.133 0.000 0.217 268 G HA3 -0.286 3.754 3.960 0.133 0.000 0.217 268 G C 1.224 176.094 174.900 -0.049 0.000 1.168 268 G CA 1.188 46.205 45.100 -0.137 0.000 0.771 268 G HN 0.486 nan 8.290 nan 0.000 0.551 269 D N 0.444 120.855 120.400 0.018 0.000 2.117 269 D HA -0.054 4.666 4.640 0.133 0.000 0.197 269 D C 2.732 179.089 176.300 0.095 0.000 0.987 269 D CA 0.601 54.673 54.000 0.121 0.000 0.829 269 D CB -0.162 40.760 40.800 0.203 0.000 0.961 269 D HN 0.284 nan 8.370 nan 0.000 0.460 270 R N 0.264 120.793 120.500 0.049 0.000 2.096 270 R HA -0.024 4.396 4.340 0.133 0.000 0.235 270 R C 2.563 178.880 176.300 0.027 0.000 1.127 270 R CA 0.568 56.690 56.100 0.037 0.000 0.968 270 R CB -0.278 30.029 30.300 0.011 0.000 0.861 270 R HN 0.212 nan 8.270 nan 0.000 0.440 271 L N 0.486 121.712 121.223 0.005 0.000 2.156 271 L HA -0.118 4.302 4.340 0.133 0.000 0.208 271 L C 2.257 179.140 176.870 0.020 0.000 1.095 271 L CA 0.847 55.684 54.840 -0.004 0.000 0.770 271 L CB -0.217 41.821 42.059 -0.035 0.000 0.914 271 L HN 0.204 nan 8.230 nan 0.000 0.439 272 L N -0.973 120.278 121.223 0.047 0.000 2.156 272 L HA -0.196 4.224 4.340 0.133 0.000 0.208 272 L C 2.535 179.500 176.870 0.158 0.000 1.095 272 L CA 0.833 55.742 54.840 0.114 0.000 0.770 272 L CB -0.194 41.967 42.059 0.171 0.000 0.914 272 L HN 0.257 nan 8.230 nan 0.000 0.439 273 Q N -0.395 119.480 119.800 0.125 0.000 2.123 273 Q HA -0.155 4.265 4.340 0.133 0.000 0.199 273 Q C 1.953 177.992 176.000 0.065 0.000 0.966 273 Q CA 1.173 57.035 55.803 0.099 0.000 0.845 273 Q CB -0.156 28.631 28.738 0.082 0.000 0.907 273 Q HN 0.314 nan 8.270 nan 0.000 0.439 274 L N -0.295 120.957 121.223 0.048 0.000 2.313 274 L HA 0.280 4.700 4.340 0.133 0.000 0.214 274 L C 0.315 177.201 176.870 0.027 0.000 1.119 274 L CA 0.443 55.300 54.840 0.029 0.000 0.809 274 L CB -0.722 41.346 42.059 0.016 0.000 0.933 274 L HN 0.030 nan 8.230 nan 0.000 0.449 275 A N 0.458 123.300 122.820 0.037 0.000 2.561 275 A HA 0.098 4.497 4.320 0.133 0.000 0.234 275 A C 0.912 178.515 177.584 0.031 0.000 1.055 275 A CA 0.548 52.602 52.037 0.029 0.000 0.756 275 A CB -0.137 18.889 19.000 0.043 0.000 0.986 275 A HN 0.616 nan 8.150 nan 0.000 0.505 276 D N 0.376 120.784 120.400 0.014 0.000 2.449 276 D HA 0.193 4.912 4.640 0.133 0.000 0.210 276 D C -0.179 176.128 176.300 0.012 0.000 1.094 276 D CA 0.090 54.098 54.000 0.014 0.000 0.846 276 D CB 0.228 41.032 40.800 0.006 0.000 1.003 276 D HN 0.315 nan 8.370 nan 0.000 0.504 277 L N 1.134 122.359 121.223 0.003 0.000 2.528 277 L HA 0.429 4.849 4.340 0.133 0.000 0.267 277 L C -1.946 174.915 176.870 -0.015 0.000 0.961 277 L CA -0.752 54.085 54.840 -0.006 0.000 0.866 277 L CB 2.210 44.247 42.059 -0.037 0.000 1.248 277 L HN -0.202 nan 8.230 nan 0.000 0.404 278 V N 6.485 126.422 119.914 0.038 0.000 2.409 278 V HA 0.540 4.740 4.120 0.133 0.000 0.291 278 V C -0.123 176.014 176.094 0.071 0.000 1.020 278 V CA -0.352 61.979 62.300 0.051 0.000 0.848 278 V CB 1.774 33.705 31.823 0.179 0.000 0.990 278 V HN 0.603 nan 8.190 nan 0.000 0.430 279 I N 4.243 124.832 120.570 0.031 0.000 2.354 279 I HA 0.371 4.621 4.170 0.133 0.000 0.286 279 I C -0.305 175.932 176.117 0.199 0.000 1.007 279 I CA -0.191 61.193 61.300 0.139 0.000 1.167 279 I CB 1.340 39.446 38.000 0.176 0.000 1.320 279 I HN 0.517 nan 8.210 nan 0.000 0.458 280 C N 7.224 126.642 119.300 0.196 0.000 2.369 280 C HA 0.551 5.091 4.460 0.133 0.000 0.358 280 C C 0.368 175.432 174.990 0.123 0.000 1.274 280 C CA -0.525 58.593 59.018 0.166 0.000 1.935 280 C CB -0.152 27.809 27.740 0.369 0.000 2.431 280 C HN 0.538 nan 8.230 nan 0.000 0.545 281 I N 2.750 123.369 120.570 0.081 0.000 2.410 281 I HA 0.451 4.701 4.170 0.133 0.000 0.286 281 I C 0.994 177.135 176.117 0.039 0.000 1.009 281 I CA 0.095 61.403 61.300 0.014 0.000 1.111 281 I CB 1.204 39.172 38.000 -0.053 0.000 1.262 281 I HN 0.959 nan 8.210 nan 0.000 0.443 282 G N 4.481 113.293 108.800 0.019 0.000 2.225 282 G HA2 -0.332 3.707 3.960 0.133 0.000 0.267 282 G HA3 -0.332 3.707 3.960 0.133 0.000 0.267 282 G C -0.335 174.650 174.900 0.142 0.000 1.024 282 G CA 0.220 45.356 45.100 0.059 0.000 0.784 282 G HN 0.664 nan 8.290 nan 0.000 0.507 283 Y N 0.753 121.084 120.300 0.053 0.000 2.361 283 Y HA 0.691 5.320 4.550 0.133 0.000 0.332 283 Y C 0.016 176.020 175.900 0.174 0.000 1.101 283 Y CA -0.823 57.331 58.100 0.090 0.000 1.137 283 Y CB 2.075 40.580 38.460 0.075 0.000 1.207 283 Y HN 0.300 nan 8.280 nan 0.000 0.463 284 S N 6.491 121.739 115.700 -0.753 0.000 2.532 284 S HA 0.410 4.960 4.470 0.133 0.000 0.299 284 S C -2.172 171.732 174.600 -1.160 0.000 1.105 284 S CA -1.870 55.897 58.200 -0.722 0.000 1.018 284 S CB 1.661 64.607 63.200 -0.424 0.000 1.021 284 S HN 0.614 nan 8.310 nan 0.000 0.483 285 P HA -0.150 nan 4.420 nan 0.000 0.218 285 P C 1.455 178.615 177.300 -0.233 0.000 1.147 285 P CA 0.791 63.582 63.100 -0.514 0.000 0.827 285 P CB 0.125 31.643 31.700 -0.304 0.000 0.778 286 V N 0.090 119.849 119.914 -0.258 0.000 2.594 286 V HA -0.253 3.947 4.120 0.133 0.000 0.253 286 V C 1.852 177.930 176.094 -0.028 0.000 1.069 286 V CA 1.941 64.163 62.300 -0.131 0.000 1.082 286 V CB -0.866 30.854 31.823 -0.171 0.000 0.680 286 V HN 0.178 nan 8.190 nan 0.000 0.469 287 E N -1.135 119.052 120.200 -0.022 0.000 2.274 287 E HA -0.077 4.352 4.350 0.133 0.000 0.194 287 E C -0.164 176.643 176.600 0.345 0.000 0.996 287 E CA 0.720 57.207 56.400 0.145 0.000 0.840 287 E CB 0.168 29.970 29.700 0.171 0.000 0.772 287 E HN 0.647 nan 8.360 nan 0.000 0.491 288 Y N 0.775 121.212 120.300 0.230 0.000 2.252 288 Y HA 0.140 4.769 4.550 0.132 0.000 0.321 288 Y C -1.390 174.706 175.900 0.327 0.000 1.208 288 Y CA -1.722 56.538 58.100 0.267 0.000 1.258 288 Y CB 0.370 38.986 38.460 0.260 0.000 1.235 288 Y HN -0.234 nan 8.280 nan 0.000 0.408 289 E N 7.908 128.141 120.200 0.053 0.000 3.072 289 E HA -0.007 4.422 4.350 0.133 0.000 0.241 289 E C -2.011 174.438 176.600 -0.251 0.000 0.962 289 E CA -0.506 55.835 56.400 -0.099 0.000 0.955 289 E CB 0.868 30.505 29.700 -0.105 0.000 0.899 289 E HN 0.457 nan 8.360 nan 0.000 0.547 290 P HA -0.178 nan 4.420 nan 0.000 0.218 290 P C 0.479 177.388 177.300 -0.651 0.000 1.146 290 P CA 1.733 64.506 63.100 -0.544 0.000 0.813 290 P CB 0.135 31.662 31.700 -0.288 0.000 0.778 291 A N -1.843 120.760 122.820 -0.361 0.000 2.264 291 A HA -0.034 4.365 4.320 0.133 0.000 0.207 291 A C 1.691 179.111 177.584 -0.273 0.000 1.196 291 A CA 1.097 52.968 52.037 -0.277 0.000 0.778 291 A CB -1.166 17.730 19.000 -0.174 0.000 0.779 291 A HN 0.197 nan 8.150 nan 0.000 0.483 292 M N -1.891 117.495 119.600 -0.356 0.000 2.289 292 M HA 0.182 4.741 4.480 0.133 0.000 0.335 292 M C 1.202 177.457 176.300 -0.074 0.000 0.961 292 M CA 0.016 55.171 55.300 -0.241 0.000 1.018 292 M CB 0.494 32.910 32.600 -0.307 0.000 1.678 292 M HN 0.908 nan 8.290 nan 0.000 0.589 293 W N -1.077 120.106 121.300 -0.195 0.000 3.377 293 W HA 0.313 5.052 4.660 0.132 0.000 0.207 293 W C -0.175 176.325 176.519 -0.032 0.000 1.070 293 W CA -0.072 57.231 57.345 -0.070 0.000 1.436 293 W CB -0.183 29.260 29.460 -0.028 0.000 0.721 293 W HN -0.048 nan 8.180 nan 0.000 0.816 294 N N 2.843 121.014 118.700 -0.882 0.000 2.420 294 N HA 0.101 4.921 4.740 0.133 0.000 0.249 294 N C 1.165 176.463 175.510 -0.353 0.000 1.033 294 N CA 0.508 53.105 53.050 -0.756 0.000 0.944 294 N CB 1.229 38.892 38.487 -1.373 0.000 1.113 294 N HN 0.070 nan 8.380 nan 0.000 0.502 295 S N 2.544 118.155 115.700 -0.148 0.000 2.425 295 S HA 0.145 4.694 4.470 0.133 0.000 0.225 295 S C 1.459 176.003 174.600 -0.093 0.000 1.024 295 S CA 0.712 58.854 58.200 -0.097 0.000 0.951 295 S CB 0.094 63.273 63.200 -0.035 0.000 0.796 295 S HN 0.835 nan 8.310 nan 0.000 0.498 296 G N 1.541 110.291 108.800 -0.083 0.000 2.184 296 G HA2 -0.292 3.747 3.960 0.133 0.000 0.206 296 G HA3 -0.292 3.747 3.960 0.133 0.000 0.206 296 G C 0.657 175.540 174.900 -0.027 0.000 0.995 296 G CA 0.393 45.455 45.100 -0.063 0.000 0.651 296 G HN 0.563 nan 8.290 nan 0.000 0.511 297 N N 0.925 119.617 118.700 -0.013 0.000 2.171 297 N HA 0.355 5.175 4.740 0.133 0.000 0.184 297 N C 1.465 176.983 175.510 0.014 0.000 1.021 297 N CA 1.864 54.914 53.050 0.001 0.000 0.854 297 N CB -0.171 38.320 38.487 0.006 0.000 0.994 297 N HN 1.015 nan 8.380 nan 0.000 0.426 298 A N -0.538 122.302 122.820 0.032 0.000 2.304 298 A HA 0.417 4.817 4.320 0.133 0.000 0.271 298 A C -0.117 177.493 177.584 0.043 0.000 1.091 298 A CA -0.406 51.657 52.037 0.043 0.000 0.812 298 A CB 0.169 19.211 19.000 0.070 0.000 1.056 298 A HN 0.297 nan 8.150 nan 0.000 0.489 299 T N 1.857 116.432 114.554 0.035 0.000 2.799 299 T HA 0.323 4.753 4.350 0.133 0.000 0.296 299 T C -0.204 174.531 174.700 0.057 0.000 0.947 299 T CA 0.436 62.555 62.100 0.032 0.000 1.141 299 T CB -0.177 68.704 68.868 0.022 0.000 0.891 299 T HN 0.471 nan 8.240 nan 0.000 0.533 300 L N 6.257 127.516 121.223 0.060 0.000 2.282 300 L HA 0.621 5.040 4.340 0.133 0.000 0.288 300 L C -0.818 176.106 176.870 0.089 0.000 1.033 300 L CA -0.365 54.536 54.840 0.102 0.000 0.807 300 L CB 1.218 43.334 42.059 0.095 0.000 1.209 300 L HN 0.390 nan 8.230 nan 0.000 0.423 301 V N 4.720 124.713 119.914 0.131 0.000 2.495 301 V HA 0.353 4.553 4.120 0.133 0.000 0.298 301 V C -0.967 175.256 176.094 0.215 0.000 1.031 301 V CA -0.654 61.727 62.300 0.136 0.000 0.871 301 V CB 1.409 33.297 31.823 0.109 0.000 0.988 301 V HN 0.838 nan 8.190 nan 0.000 0.432 302 H N 5.008 124.146 119.070 0.114 0.000 2.511 302 H HA 0.677 5.312 4.556 0.132 0.000 0.328 302 H C -0.938 174.484 175.328 0.156 0.000 1.044 302 H CA -0.425 55.732 56.048 0.182 0.000 1.212 302 H CB 1.025 30.871 29.762 0.140 0.000 1.428 302 H HN 0.583 nan 8.280 nan 0.000 0.483 303 I N 5.111 125.528 120.570 -0.254 0.000 2.418 303 I HA 0.320 4.570 4.170 0.133 0.000 0.287 303 I C -0.849 175.109 176.117 -0.265 0.000 1.008 303 I CA -0.439 60.764 61.300 -0.162 0.000 1.104 303 I CB 1.590 39.570 38.000 -0.034 0.000 1.264 303 I HN 0.685 nan 8.210 nan 0.000 0.438 304 D N 2.853 123.167 120.400 -0.143 0.000 2.755 304 D HA 0.110 4.830 4.640 0.133 0.000 0.277 304 D C 0.353 176.682 176.300 0.049 0.000 1.261 304 D CA -0.502 53.474 54.000 -0.040 0.000 0.759 304 D CB 1.749 42.541 40.800 -0.014 0.000 1.279 304 D HN 0.208 nan 8.370 nan 0.000 0.420 305 V N -0.751 119.202 119.914 0.066 0.000 3.078 305 V HA 0.279 4.478 4.120 0.133 0.000 0.265 305 V C 0.627 176.771 176.094 0.083 0.000 1.122 305 V CA 0.944 63.283 62.300 0.065 0.000 1.141 305 V CB -1.005 30.852 31.823 0.058 0.000 0.735 305 V HN 0.319 nan 8.190 nan 0.000 0.498 306 L N -0.813 120.486 121.223 0.127 0.000 2.376 306 L HA 0.612 5.032 4.340 0.133 0.000 0.258 306 L C -2.729 174.225 176.870 0.140 0.000 1.013 306 L CA -2.262 52.639 54.840 0.102 0.000 0.822 306 L CB 2.309 44.427 42.059 0.098 0.000 1.388 306 L HN -0.162 nan 8.230 nan 0.000 0.413 307 P HA 0.068 nan 4.420 nan 0.000 0.269 307 P C -0.772 176.480 177.300 -0.079 0.000 1.215 307 P CA -0.280 62.822 63.100 0.003 0.000 0.780 307 P CB 0.558 32.213 31.700 -0.075 0.000 0.898 308 A N 2.575 125.255 122.820 -0.235 0.000 2.548 308 A HA -0.023 4.376 4.320 0.133 0.000 0.247 308 A C -0.365 177.147 177.584 -0.120 0.000 1.067 308 A CA 0.224 51.985 52.037 -0.460 0.000 0.757 308 A CB -0.960 17.596 19.000 -0.740 0.000 0.996 308 A HN 0.488 nan 8.150 nan 0.000 0.504 309 Y N 1.979 122.275 120.300 -0.006 0.000 2.937 309 Y HA 0.094 4.725 4.550 0.134 0.000 0.364 309 Y C 1.102 177.040 175.900 0.064 0.000 1.164 309 Y CA 0.385 58.497 58.100 0.020 0.000 2.025 309 Y CB -0.852 37.611 38.460 0.005 0.000 2.155 309 Y HN 0.830 nan 8.280 nan 0.000 0.409 310 E N 1.895 122.163 120.200 0.113 0.000 2.812 310 E HA -0.171 4.259 4.350 0.133 0.000 0.276 310 E C 0.111 176.785 176.600 0.123 0.000 0.946 310 E CA 0.762 57.216 56.400 0.090 0.000 0.971 310 E CB 0.477 30.172 29.700 -0.009 0.000 0.960 310 E HN 0.705 nan 8.360 nan 0.000 0.479 311 E N 1.721 122.001 120.200 0.133 0.000 2.459 311 E HA 0.174 4.604 4.350 0.133 0.000 0.275 311 E C 0.699 177.327 176.600 0.047 0.000 0.987 311 E CA -0.622 55.833 56.400 0.092 0.000 0.828 311 E CB 0.664 30.430 29.700 0.111 0.000 1.428 311 E HN 0.586 nan 8.360 nan 0.000 0.457 312 R N 0.665 121.174 120.500 0.014 0.000 2.096 312 R HA 0.003 4.423 4.340 0.133 0.000 0.235 312 R C 0.621 176.905 176.300 -0.028 0.000 1.127 312 R CA 1.436 57.529 56.100 -0.013 0.000 0.968 312 R CB -0.256 30.029 30.300 -0.025 0.000 0.861 312 R HN 0.258 nan 8.270 nan 0.000 0.440 313 N N -0.702 117.981 118.700 -0.030 0.000 2.238 313 N HA 0.013 4.833 4.740 0.133 0.000 0.222 313 N C -1.247 174.260 175.510 -0.005 0.000 1.133 313 N CA 0.065 53.067 53.050 -0.080 0.000 0.854 313 N CB 0.764 39.150 38.487 -0.168 0.000 1.041 313 N HN 0.199 nan 8.380 nan 0.000 0.510 314 Y N 1.230 121.473 120.300 -0.095 0.000 2.541 314 Y HA 0.163 4.794 4.550 0.134 0.000 0.350 314 Y C -0.720 175.173 175.900 -0.012 0.000 1.075 314 Y CA -1.034 57.046 58.100 -0.033 0.000 1.302 314 Y CB 0.412 38.899 38.460 0.045 0.000 1.094 314 Y HN -0.097 nan 8.280 nan 0.000 0.579 315 T N 3.176 117.599 114.554 -0.218 0.000 3.150 315 T HA 0.499 4.929 4.350 0.133 0.000 0.383 315 T C -2.791 171.763 174.700 -0.244 0.000 1.313 315 T CA -2.144 59.828 62.100 -0.213 0.000 1.235 315 T CB 0.748 69.553 68.868 -0.105 0.000 1.088 315 T HN 0.237 nan 8.240 nan 0.000 0.556 316 P HA 0.079 nan 4.420 nan 0.000 0.266 316 P C 0.344 177.587 177.300 -0.095 0.000 1.180 316 P CA 0.030 63.002 63.100 -0.215 0.000 0.765 316 P CB 0.600 32.186 31.700 -0.190 0.000 0.806 317 D N 0.167 120.544 120.400 -0.039 0.000 2.338 317 D HA 0.060 4.779 4.640 0.133 0.000 0.208 317 D C 0.059 176.359 176.300 0.000 0.000 0.997 317 D CA 0.960 54.950 54.000 -0.018 0.000 0.880 317 D CB 0.505 41.302 40.800 -0.004 0.000 0.980 317 D HN 0.067 nan 8.370 nan 0.000 0.509 318 V N 1.075 121.001 119.914 0.020 0.000 2.668 318 V HA 0.237 4.436 4.120 0.133 0.000 0.304 318 V C -0.611 175.524 176.094 0.067 0.000 1.071 318 V CA -0.812 61.510 62.300 0.037 0.000 0.894 318 V CB 2.866 34.715 31.823 0.043 0.000 1.008 318 V HN -0.141 nan 8.190 nan 0.000 0.425 319 E N 4.346 124.587 120.200 0.068 0.000 2.129 319 E HA 0.576 5.005 4.350 0.133 0.000 0.268 319 E C -1.283 175.381 176.600 0.106 0.000 0.900 319 E CA -0.574 55.898 56.400 0.119 0.000 0.755 319 E CB 1.360 31.111 29.700 0.085 0.000 1.117 319 E HN 0.636 nan 8.360 nan 0.000 0.410 320 L N 5.237 126.531 121.223 0.119 0.000 2.360 320 L HA 0.381 4.800 4.340 0.133 0.000 0.265 320 L C -0.739 176.177 176.870 0.078 0.000 1.066 320 L CA -0.788 54.098 54.840 0.077 0.000 0.929 320 L CB 0.915 43.008 42.059 0.057 0.000 1.306 320 L HN 0.266 nan 8.230 nan 0.000 0.434 321 V N 2.282 122.245 119.914 0.082 0.000 2.439 321 V HA 0.909 5.108 4.120 0.133 0.000 0.282 321 V C 0.698 176.821 176.094 0.048 0.000 1.039 321 V CA -0.028 62.319 62.300 0.078 0.000 0.913 321 V CB 1.121 32.993 31.823 0.082 0.000 0.983 321 V HN 0.928 nan 8.190 nan 0.000 0.460 322 G N 3.805 112.630 108.800 0.041 0.000 2.345 322 G HA2 0.139 4.179 3.960 0.133 0.000 0.285 322 G HA3 0.139 4.179 3.960 0.133 0.000 0.285 322 G C -1.247 173.666 174.900 0.021 0.000 1.297 322 G CA -0.709 44.408 45.100 0.028 0.000 0.875 322 G HN 0.696 nan 8.290 nan 0.000 0.506 323 D N -0.087 120.321 120.400 0.014 0.000 2.451 323 D HA 0.252 4.971 4.640 0.133 0.000 0.254 323 D C 1.841 178.142 176.300 0.000 0.000 1.204 323 D CA 0.100 54.105 54.000 0.008 0.000 0.896 323 D CB 0.324 41.127 40.800 0.004 0.000 1.136 323 D HN 0.363 nan 8.370 nan 0.000 0.499 324 I N 3.656 124.223 120.570 -0.005 0.000 2.163 324 I HA -0.296 3.954 4.170 0.133 0.000 0.243 324 I C 2.347 178.446 176.117 -0.030 0.000 1.085 324 I CA 1.192 62.481 61.300 -0.019 0.000 1.347 324 I CB -0.325 37.661 38.000 -0.025 0.000 1.044 324 I HN 0.583 nan 8.210 nan 0.000 0.408 325 A N 1.026 123.828 122.820 -0.028 0.000 1.883 325 A HA -0.177 4.223 4.320 0.133 0.000 0.217 325 A C 2.449 180.017 177.584 -0.027 0.000 1.186 325 A CA 2.105 54.122 52.037 -0.034 0.000 0.624 325 A CB -1.546 17.437 19.000 -0.028 0.000 0.822 325 A HN 0.480 nan 8.150 nan 0.000 0.444 326 G N -1.214 107.576 108.800 -0.016 0.000 2.446 326 G HA2 -0.185 3.855 3.960 0.133 0.000 0.217 326 G HA3 -0.185 3.855 3.960 0.133 0.000 0.217 326 G C 1.589 176.484 174.900 -0.008 0.000 1.168 326 G CA 1.724 46.818 45.100 -0.009 0.000 0.771 326 G HN 0.447 nan 8.290 nan 0.000 0.551 327 T N 1.500 116.049 114.554 -0.007 0.000 2.708 327 T HA -0.021 4.409 4.350 0.133 0.000 0.266 327 T C 2.434 177.129 174.700 -0.008 0.000 1.037 327 T CA 0.967 63.066 62.100 -0.002 0.000 1.146 327 T CB -0.226 68.643 68.868 0.003 0.000 0.865 327 T HN 0.155 nan 8.240 nan 0.000 0.435 328 L N 1.181 122.386 121.223 -0.029 0.000 2.083 328 L HA -0.113 4.307 4.340 0.133 0.000 0.209 328 L C 2.602 179.450 176.870 -0.035 0.000 1.083 328 L CA 1.014 55.824 54.840 -0.050 0.000 0.752 328 L CB -0.738 41.263 42.059 -0.098 0.000 0.899 328 L HN 0.256 nan 8.230 nan 0.000 0.433 329 N N 0.607 119.290 118.700 -0.029 0.000 2.120 329 N HA -0.156 4.663 4.740 0.133 0.000 0.188 329 N C 1.797 177.303 175.510 -0.007 0.000 1.024 329 N CA 1.250 54.288 53.050 -0.020 0.000 0.852 329 N CB -0.094 38.383 38.487 -0.017 0.000 1.003 329 N HN 0.388 nan 8.380 nan 0.000 0.424 330 K N 0.484 120.883 120.400 -0.002 0.000 2.097 330 K HA -0.075 4.325 4.320 0.133 0.000 0.205 330 K C 1.933 178.541 176.600 0.014 0.000 1.050 330 K CA 0.500 56.791 56.287 0.007 0.000 0.938 330 K CB -0.140 32.365 32.500 0.009 0.000 0.718 330 K HN 0.013 nan 8.250 nan 0.000 0.442 331 L N 1.175 122.408 121.223 0.017 0.000 2.056 331 L HA -0.095 4.325 4.340 0.133 0.000 0.207 331 L C 2.223 179.112 176.870 0.032 0.000 1.078 331 L CA 1.677 56.537 54.840 0.034 0.000 0.749 331 L CB -0.715 41.375 42.059 0.053 0.000 0.901 331 L HN 0.105 nan 8.230 nan 0.000 0.433 332 A N -1.212 121.620 122.820 0.019 0.000 1.940 332 A HA -0.280 4.119 4.320 0.133 0.000 0.219 332 A C 2.174 179.766 177.584 0.013 0.000 1.176 332 A CA 1.912 53.958 52.037 0.015 0.000 0.631 332 A CB -0.592 18.406 19.000 -0.003 0.000 0.814 332 A HN 0.664 nan 8.150 nan 0.000 0.446 333 Q N -0.573 119.233 119.800 0.011 0.000 2.291 333 Q HA -0.031 4.389 4.340 0.133 0.000 0.205 333 Q C 0.582 176.591 176.000 0.015 0.000 0.970 333 Q CA 0.841 56.650 55.803 0.011 0.000 0.876 333 Q CB -0.027 28.716 28.738 0.009 0.000 0.935 333 Q HN 0.607 nan 8.270 nan 0.000 0.455 334 N N 0.073 118.784 118.700 0.018 0.000 2.251 334 N HA 0.187 5.006 4.740 0.133 0.000 0.217 334 N C -0.587 174.934 175.510 0.019 0.000 1.124 334 N CA 0.241 53.304 53.050 0.020 0.000 0.843 334 N CB 0.917 39.417 38.487 0.022 0.000 1.024 334 N HN 0.168 nan 8.380 nan 0.000 0.501 335 I N 0.786 121.364 120.570 0.013 0.000 2.355 335 I HA 0.152 4.402 4.170 0.133 0.000 0.288 335 I C 0.511 176.628 176.117 0.000 0.000 0.999 335 I CA -0.504 60.792 61.300 -0.008 0.000 1.163 335 I CB 1.697 39.692 38.000 -0.008 0.000 1.316 335 I HN -0.195 nan 8.210 nan 0.000 0.454 336 D N 3.857 124.270 120.400 0.022 0.000 2.162 336 D HA -0.014 4.705 4.640 0.133 0.000 0.205 336 D C 0.531 176.907 176.300 0.128 0.000 0.964 336 D CA 1.393 55.448 54.000 0.092 0.000 0.847 336 D CB 0.283 41.183 40.800 0.166 0.000 0.988 336 D HN 0.575 nan 8.370 nan 0.000 0.480 337 H N -0.783 118.288 119.070 0.003 0.000 2.834 337 H HA 0.548 5.184 4.556 0.133 0.000 0.369 337 H C -0.231 175.094 175.328 -0.005 0.000 1.174 337 H CA -0.830 55.214 56.048 -0.007 0.000 1.165 337 H CB 1.260 31.020 29.762 -0.003 0.000 1.820 337 H HN -0.288 nan 8.280 nan 0.000 0.558 338 R N 0.554 121.066 120.500 0.020 0.000 2.539 338 R HA 0.197 4.617 4.340 0.133 0.000 0.275 338 R C 0.044 176.370 176.300 0.044 0.000 1.077 338 R CA -0.918 55.166 56.100 -0.027 0.000 1.097 338 R CB 0.912 31.145 30.300 -0.112 0.000 1.018 338 R HN 0.431 nan 8.270 nan 0.000 0.483 339 L N 2.959 124.213 121.223 0.052 0.000 2.456 339 L HA 0.090 4.509 4.340 0.133 0.000 0.272 339 L C -0.468 176.462 176.870 0.100 0.000 1.189 339 L CA 0.054 54.931 54.840 0.061 0.000 0.846 339 L CB 1.111 43.199 42.059 0.049 0.000 1.111 339 L HN 0.419 nan 8.230 nan 0.000 0.475 340 V N 4.214 124.184 119.914 0.092 0.000 2.311 340 V HA 0.395 4.595 4.120 0.133 0.000 0.275 340 V C 0.282 176.403 176.094 0.044 0.000 1.022 340 V CA -0.919 61.425 62.300 0.073 0.000 0.830 340 V CB 0.395 32.261 31.823 0.072 0.000 1.012 340 V HN 0.707 nan 8.190 nan 0.000 0.452 341 L N 4.983 126.224 121.223 0.030 0.000 2.578 341 L HA 0.136 4.555 4.340 0.133 0.000 0.279 341 L C 1.355 178.230 176.870 0.007 0.000 1.227 341 L CA 0.640 55.487 54.840 0.010 0.000 0.900 341 L CB 0.365 42.421 42.059 -0.006 0.000 1.144 341 L HN 1.029 nan 8.230 nan 0.000 0.496 342 S N 3.120 118.822 115.700 0.004 0.000 2.608 342 S HA 0.212 4.762 4.470 0.133 0.000 0.261 342 S C -1.740 172.858 174.600 -0.003 0.000 1.314 342 S CA -1.131 57.070 58.200 0.003 0.000 0.992 342 S CB 0.751 63.952 63.200 0.001 0.000 0.935 342 S HN 0.423 nan 8.310 nan 0.000 0.564 343 P HA -0.108 nan 4.420 nan 0.000 0.215 343 P C 1.403 178.697 177.300 -0.010 0.000 1.153 343 P CA 1.306 64.401 63.100 -0.007 0.000 0.853 343 P CB -0.025 31.672 31.700 -0.005 0.000 0.788 344 Q N -0.443 119.352 119.800 -0.008 0.000 2.020 344 Q HA -0.097 4.322 4.340 0.133 0.000 0.202 344 Q C 2.323 178.314 176.000 -0.014 0.000 0.982 344 Q CA 2.012 57.810 55.803 -0.009 0.000 0.838 344 Q CB -1.591 27.145 28.738 -0.004 0.000 0.899 344 Q HN 0.146 nan 8.270 nan 0.000 0.423 345 A N 0.837 123.648 122.820 -0.014 0.000 1.883 345 A HA -0.167 4.232 4.320 0.133 0.000 0.217 345 A C 2.299 179.866 177.584 -0.029 0.000 1.186 345 A CA 2.004 54.028 52.037 -0.021 0.000 0.624 345 A CB -1.161 17.828 19.000 -0.018 0.000 0.822 345 A HN 0.393 nan 8.150 nan 0.000 0.444 346 A N -0.926 121.879 122.820 -0.025 0.000 1.933 346 A HA 0.071 4.471 4.320 0.133 0.000 0.218 346 A C 2.165 179.729 177.584 -0.033 0.000 1.175 346 A CA 2.391 54.410 52.037 -0.031 0.000 0.628 346 A CB -1.084 17.902 19.000 -0.024 0.000 0.814 346 A HN 0.777 nan 8.150 nan 0.000 0.444 347 E N 0.185 120.369 120.200 -0.026 0.000 2.077 347 E HA -0.135 4.294 4.350 0.133 0.000 0.193 347 E C 1.836 178.419 176.600 -0.028 0.000 0.989 347 E CA 1.409 57.794 56.400 -0.026 0.000 0.800 347 E CB -0.848 28.840 29.700 -0.019 0.000 0.746 347 E HN 0.705 nan 8.360 nan 0.000 0.452 348 I N 0.104 120.656 120.570 -0.030 0.000 2.226 348 I HA -0.211 4.039 4.170 0.133 0.000 0.245 348 I C 2.743 178.828 176.117 -0.052 0.000 1.100 348 I CA 1.169 62.447 61.300 -0.036 0.000 1.374 348 I CB -0.154 37.825 38.000 -0.035 0.000 1.057 348 I HN 0.230 nan 8.210 nan 0.000 0.413 349 L N 0.083 121.271 121.223 -0.059 0.000 2.141 349 L HA -0.148 4.272 4.340 0.133 0.000 0.209 349 L C 2.731 179.561 176.870 -0.065 0.000 1.094 349 L CA 1.133 55.928 54.840 -0.075 0.000 0.763 349 L CB -0.522 41.488 42.059 -0.082 0.000 0.908 349 L HN 0.202 nan 8.230 nan 0.000 0.437 350 R N -0.139 120.332 120.500 -0.048 0.000 2.090 350 R HA -0.119 4.301 4.340 0.133 0.000 0.228 350 R C 1.760 178.051 176.300 -0.016 0.000 1.110 350 R CA 1.170 57.249 56.100 -0.035 0.000 0.973 350 R CB -0.305 29.976 30.300 -0.033 0.000 0.869 350 R HN 0.393 nan 8.270 nan 0.000 0.440 351 D N 0.509 120.899 120.400 -0.018 0.000 2.117 351 D HA -0.178 4.541 4.640 0.133 0.000 0.197 351 D C 1.869 178.157 176.300 -0.019 0.000 0.987 351 D CA 1.029 55.033 54.000 0.007 0.000 0.829 351 D CB -0.190 40.605 40.800 -0.008 0.000 0.961 351 D HN 0.179 nan 8.370 nan 0.000 0.460 352 R N 0.852 121.309 120.500 -0.071 0.000 2.120 352 R HA -0.146 4.273 4.340 0.133 0.000 0.234 352 R C 2.198 178.409 176.300 -0.148 0.000 1.123 352 R CA 1.241 57.260 56.100 -0.134 0.000 0.975 352 R CB -0.057 30.150 30.300 -0.156 0.000 0.866 352 R HN 0.167 nan 8.270 nan 0.000 0.446 353 Q N -0.656 119.092 119.800 -0.088 0.000 2.050 353 Q HA -0.259 4.160 4.340 0.133 0.000 0.202 353 Q C 1.917 177.901 176.000 -0.027 0.000 0.980 353 Q CA 2.062 57.823 55.803 -0.069 0.000 0.840 353 Q CB -0.151 28.566 28.738 -0.035 0.000 0.898 353 Q HN 0.485 nan 8.270 nan 0.000 0.424 354 H N 0.177 119.195 119.070 -0.088 0.000 2.357 354 H HA -0.097 4.539 4.556 0.133 0.000 0.301 354 H C 1.979 177.258 175.328 -0.081 0.000 1.082 354 H CA 2.074 58.081 56.048 -0.068 0.000 1.342 354 H CB -0.104 29.626 29.762 -0.053 0.000 1.389 354 H HN 0.344 nan 8.280 nan 0.000 0.511 355 Q N 0.429 120.109 119.800 -0.201 0.000 2.096 355 Q HA -0.194 4.225 4.340 0.133 0.000 0.204 355 Q C 2.178 178.008 176.000 -0.283 0.000 0.982 355 Q CA 1.736 57.375 55.803 -0.274 0.000 0.850 355 Q CB -0.002 28.611 28.738 -0.209 0.000 0.901 355 Q HN 0.489 nan 8.270 nan 0.000 0.422 356 R N -0.096 120.226 120.500 -0.298 0.000 2.115 356 R HA -0.072 4.348 4.340 0.133 0.000 0.226 356 R C 2.160 178.392 176.300 -0.114 0.000 1.100 356 R CA 1.320 57.216 56.100 -0.341 0.000 0.980 356 R CB -0.004 29.968 30.300 -0.547 0.000 0.875 356 R HN 0.419 nan 8.270 nan 0.000 0.445 357 E N 0.765 120.901 120.200 -0.108 0.000 2.072 357 E HA -0.157 4.273 4.350 0.133 0.000 0.191 357 E C 2.019 178.591 176.600 -0.047 0.000 0.985 357 E CA 0.934 57.313 56.400 -0.035 0.000 0.801 357 E CB -0.024 29.682 29.700 0.010 0.000 0.750 357 E HN 0.291 nan 8.360 nan 0.000 0.452 358 L N 0.595 121.722 121.223 -0.160 0.000 2.056 358 L HA -0.176 4.244 4.340 0.133 0.000 0.207 358 L C 2.463 179.333 176.870 -0.000 0.000 1.078 358 L CA 0.827 55.593 54.840 -0.123 0.000 0.749 358 L CB -0.334 41.580 42.059 -0.241 0.000 0.901 358 L HN 0.172 nan 8.230 nan 0.000 0.433 359 L N -0.562 120.675 121.223 0.022 0.000 2.131 359 L HA -0.210 4.210 4.340 0.133 0.000 0.210 359 L C 2.174 179.281 176.870 0.396 0.000 1.092 359 L CA 1.009 55.963 54.840 0.190 0.000 0.759 359 L CB -0.508 41.572 42.059 0.035 0.000 0.903 359 L HN 0.309 nan 8.230 nan 0.000 0.435 360 D N -0.325 120.244 120.400 0.283 0.000 2.120 360 D HA -0.007 4.713 4.640 0.133 0.000 0.202 360 D C 0.638 177.006 176.300 0.112 0.000 0.972 360 D CA 0.301 54.442 54.000 0.235 0.000 0.837 360 D CB 0.171 41.086 40.800 0.192 0.000 0.989 360 D HN 0.169 nan 8.370 nan 0.000 0.469 364 A N 0.217 123.018 122.820 -0.032 0.000 2.366 364 A HA 0.622 5.022 4.320 0.133 0.000 0.249 364 A C 1.480 179.032 177.584 -0.053 0.000 1.084 364 A CA 1.538 53.548 52.037 -0.045 0.000 0.794 364 A CB 0.396 19.358 19.000 -0.062 0.000 1.034 364 A HN 1.469 nan 8.150 nan 0.000 0.491 365 Q N 0.104 119.872 119.800 -0.053 0.000 2.134 365 Q HA 0.353 4.773 4.340 0.133 0.000 0.195 365 Q C 0.901 176.862 176.000 -0.065 0.000 0.958 365 Q CA 1.192 56.964 55.803 -0.052 0.000 0.840 365 Q CB -1.028 27.686 28.738 -0.040 0.000 0.918 365 Q HN 1.343 nan 8.270 nan 0.000 0.467 366 L N 1.646 122.824 121.223 -0.075 0.000 3.826 366 L HA -0.206 4.213 4.340 0.133 0.000 0.566 366 L C 0.713 177.551 176.870 -0.053 0.000 1.217 366 L CA 0.433 55.222 54.840 -0.085 0.000 0.823 366 L CB -1.445 40.538 42.059 -0.126 0.000 1.381 366 L HN 0.684 nan 8.230 nan 0.000 0.825 367 N N 1.121 119.802 118.700 -0.032 0.000 2.230 367 N HA 0.015 4.834 4.740 0.133 0.000 0.202 367 N C 0.818 176.338 175.510 0.016 0.000 1.119 367 N CA -0.059 52.980 53.050 -0.018 0.000 0.851 367 N CB 0.496 38.969 38.487 -0.023 0.000 0.990 367 N HN 0.788 nan 8.380 nan 0.000 0.497 368 Q N 0.095 119.910 119.800 0.025 0.000 2.524 368 Q HA 0.084 4.504 4.340 0.133 0.000 0.246 368 Q C -1.187 174.887 176.000 0.123 0.000 1.063 368 Q CA 0.113 55.950 55.803 0.056 0.000 0.945 368 Q CB 0.643 29.401 28.738 0.035 0.000 1.292 368 Q HN 0.141 nan 8.270 nan 0.000 0.518 369 F N -0.219 119.695 119.950 -0.060 0.000 2.605 369 F HA 0.546 5.152 4.527 0.133 0.000 0.320 369 F C -1.092 174.667 175.800 -0.068 0.000 1.159 369 F CA -0.504 57.449 58.000 -0.077 0.000 0.999 369 F CB 1.431 40.390 39.000 -0.069 0.000 1.258 369 F HN 0.919 nan 8.300 nan 0.000 0.464 370 A N 4.829 127.152 122.820 -0.828 0.000 2.547 370 A HA 0.375 4.775 4.320 0.133 0.000 0.233 370 A C -0.400 176.948 177.584 -0.393 0.000 1.067 370 A CA -0.155 51.294 52.037 -0.979 0.000 0.763 370 A CB -0.083 18.487 19.000 -0.716 0.000 1.007 370 A HN 0.743 nan 8.150 nan 0.000 0.506 371 L N 2.316 123.373 121.223 -0.276 0.000 2.506 371 L HA 0.036 4.456 4.340 0.133 0.000 0.281 371 L C 1.316 178.017 176.870 -0.282 0.000 1.228 371 L CA 0.745 55.467 54.840 -0.197 0.000 0.850 371 L CB -0.088 41.831 42.059 -0.235 0.000 1.110 371 L HN 0.769 nan 8.230 nan 0.000 0.496 372 H N 3.987 122.888 119.070 -0.281 0.000 2.525 372 H HA 0.165 4.801 4.556 0.133 0.000 0.339 372 H C -1.871 173.175 175.328 -0.469 0.000 1.109 372 H CA -1.889 53.976 56.048 -0.305 0.000 1.352 372 H CB 1.712 31.353 29.762 -0.201 0.000 1.461 372 H HN 0.351 nan 8.280 nan 0.000 0.533 373 P HA -0.174 nan 4.420 nan 0.000 0.216 373 P C 1.817 178.855 177.300 -0.437 0.000 1.154 373 P CA 1.263 63.841 63.100 -0.869 0.000 0.865 373 P CB 0.241 30.794 31.700 -1.911 0.000 0.789 374 L N -1.495 119.680 121.223 -0.080 0.000 2.083 374 L HA -0.188 4.231 4.340 0.133 0.000 0.209 374 L C 2.670 179.441 176.870 -0.166 0.000 1.083 374 L CA 1.328 56.108 54.840 -0.100 0.000 0.752 374 L CB -0.583 41.439 42.059 -0.062 0.000 0.899 374 L HN -0.098 nan 8.230 nan 0.000 0.433 375 R N 1.004 121.417 120.500 -0.145 0.000 2.092 375 R HA -0.102 4.318 4.340 0.133 0.000 0.231 375 R C 2.018 178.197 176.300 -0.203 0.000 1.119 375 R CA 1.551 57.553 56.100 -0.163 0.000 0.970 375 R CB -0.549 29.669 30.300 -0.137 0.000 0.864 375 R HN 0.300 nan 8.270 nan 0.000 0.440 376 I N -0.405 119.983 120.570 -0.304 0.000 2.252 376 I HA -0.221 4.029 4.170 0.133 0.000 0.245 376 I C 2.035 178.086 176.117 -0.110 0.000 1.102 376 I CA 0.994 62.083 61.300 -0.351 0.000 1.385 376 I CB -0.327 37.154 38.000 -0.864 0.000 1.064 376 I HN -0.043 nan 8.210 nan 0.000 0.414 377 V N 0.998 120.894 119.914 -0.031 0.000 2.407 377 V HA -0.281 3.919 4.120 0.133 0.000 0.248 377 V C 2.673 178.703 176.094 -0.106 0.000 1.055 377 V CA 1.893 64.242 62.300 0.081 0.000 1.049 377 V CB -0.786 31.030 31.823 -0.011 0.000 0.662 377 V HN 0.413 nan 8.190 nan 0.000 0.455 378 R N 0.053 120.447 120.500 -0.176 0.000 2.075 378 R HA -0.130 4.290 4.340 0.133 0.000 0.232 378 R C 2.301 178.516 176.300 -0.140 0.000 1.126 378 R CA 1.584 57.572 56.100 -0.187 0.000 0.963 378 R CB -0.400 29.804 30.300 -0.160 0.000 0.858 378 R HN 0.486 nan 8.270 nan 0.000 0.435 379 A N 0.625 123.379 122.820 -0.110 0.000 1.969 379 A HA -0.141 4.258 4.320 0.133 0.000 0.218 379 A C 2.150 179.708 177.584 -0.044 0.000 1.169 379 A CA 1.311 53.296 52.037 -0.086 0.000 0.635 379 A CB -0.346 18.593 19.000 -0.101 0.000 0.810 379 A HN 0.337 nan 8.150 nan 0.000 0.445 380 M N -0.881 118.726 119.600 0.013 0.000 2.175 380 M HA -0.186 4.374 4.480 0.133 0.000 0.264 380 M C 2.275 178.650 176.300 0.125 0.000 1.063 380 M CA 1.379 56.764 55.300 0.141 0.000 1.119 380 M CB -0.335 32.478 32.600 0.354 0.000 1.377 380 M HN 0.486 nan 8.290 nan 0.000 0.415 381 Q N 0.043 119.772 119.800 -0.120 0.000 2.291 381 Q HA -0.150 4.269 4.340 0.133 0.000 0.205 381 Q C 1.187 177.117 176.000 -0.117 0.000 0.970 381 Q CA 0.793 56.415 55.803 -0.301 0.000 0.876 381 Q CB -0.098 28.294 28.738 -0.577 0.000 0.935 381 Q HN 0.496 nan 8.270 nan 0.000 0.455 382 D N 0.851 121.204 120.400 -0.079 0.000 2.183 382 D HA -0.091 4.629 4.640 0.133 0.000 0.203 382 D C 1.871 178.159 176.300 -0.019 0.000 0.969 382 D CA 0.920 54.889 54.000 -0.052 0.000 0.842 382 D CB 0.075 40.841 40.800 -0.056 0.000 0.957 382 D HN 0.447 nan 8.370 nan 0.000 0.484 383 I N -2.055 118.517 120.570 0.002 0.000 3.603 383 I HA 0.083 4.332 4.170 0.133 0.000 0.297 383 I C 0.224 176.370 176.117 0.049 0.000 1.269 383 I CA -0.004 61.305 61.300 0.015 0.000 1.361 383 I CB 0.344 38.345 38.000 0.003 0.000 1.063 383 I HN -0.351 nan 8.210 nan 0.000 0.448 384 V N 4.534 124.501 119.914 0.088 0.000 2.348 384 V HA 0.297 4.497 4.120 0.133 0.000 0.270 384 V C -0.557 175.596 176.094 0.098 0.000 1.037 384 V CA -0.421 61.955 62.300 0.126 0.000 0.872 384 V CB 0.253 32.229 31.823 0.255 0.000 1.002 384 V HN 0.607 nan 8.190 nan 0.000 0.464 385 N N 2.470 121.213 118.700 0.071 0.000 2.653 385 N HA 0.301 5.121 4.740 0.133 0.000 0.294 385 N C 0.966 176.507 175.510 0.052 0.000 1.305 385 N CA -0.280 52.802 53.050 0.053 0.000 0.827 385 N CB 0.846 39.354 38.487 0.035 0.000 1.415 385 N HN 0.322 nan 8.380 nan 0.000 0.546 386 S N -2.169 113.554 115.700 0.039 0.000 2.584 386 S HA -0.097 4.453 4.470 0.133 0.000 0.240 386 S C -0.066 174.552 174.600 0.030 0.000 0.975 386 S CA 0.746 58.965 58.200 0.031 0.000 0.949 386 S CB -0.567 62.646 63.200 0.021 0.000 0.761 386 S HN 0.569 nan 8.310 nan 0.000 0.536 387 D N 0.387 120.809 120.400 0.036 0.000 2.433 387 D HA 0.268 4.987 4.640 0.133 0.000 0.211 387 D C -0.425 175.906 176.300 0.051 0.000 1.114 387 D CA 0.138 54.160 54.000 0.038 0.000 0.837 387 D CB 1.238 42.060 40.800 0.037 0.000 0.984 387 D HN 0.284 nan 8.370 nan 0.000 0.505 388 V N 1.125 121.072 119.914 0.056 0.000 2.513 388 V HA 0.306 4.505 4.120 0.133 0.000 0.299 388 V C 0.422 176.554 176.094 0.062 0.000 1.035 388 V CA -0.492 61.849 62.300 0.068 0.000 0.889 388 V CB 2.096 33.961 31.823 0.070 0.000 0.988 388 V HN -0.128 nan 8.190 nan 0.000 0.440 389 T N 5.589 120.185 114.554 0.070 0.000 2.875 389 T HA 0.605 5.034 4.350 0.133 0.000 0.284 389 T C -0.631 174.099 174.700 0.049 0.000 0.995 389 T CA -0.178 61.954 62.100 0.053 0.000 1.060 389 T CB 1.240 70.146 68.868 0.064 0.000 0.967 389 T HN 0.421 nan 8.240 nan 0.000 0.476 390 L N 3.929 125.161 121.223 0.015 0.000 2.333 390 L HA 0.669 5.089 4.340 0.133 0.000 0.280 390 L C 0.020 176.889 176.870 -0.001 0.000 1.004 390 L CA -0.234 54.600 54.840 -0.010 0.000 0.820 390 L CB 1.654 43.659 42.059 -0.091 0.000 1.247 390 L HN 0.781 nan 8.230 nan 0.000 0.416 391 T N 2.252 116.841 114.554 0.059 0.000 2.829 391 T HA 0.810 5.239 4.350 0.133 0.000 0.280 391 T C -0.716 174.076 174.700 0.154 0.000 0.999 391 T CA -0.700 61.500 62.100 0.167 0.000 0.983 391 T CB 1.507 70.564 68.868 0.315 0.000 0.968 391 T HN 0.376 nan 8.240 nan 0.000 0.446 392 V N 3.290 123.342 119.914 0.229 0.000 2.487 392 V HA 0.428 4.628 4.120 0.133 0.000 0.298 392 V C 0.245 176.530 176.094 0.318 0.000 1.028 392 V CA -0.913 61.500 62.300 0.188 0.000 0.860 392 V CB 1.581 33.412 31.823 0.015 0.000 0.991 392 V HN 1.024 nan 8.190 nan 0.000 0.427 393 D N 2.230 122.834 120.400 0.339 0.000 2.425 393 D HA 0.358 5.077 4.640 0.133 0.000 0.274 393 D C -0.463 176.085 176.300 0.414 0.000 1.242 393 D CA -0.444 53.727 54.000 0.284 0.000 1.060 393 D CB 1.332 42.266 40.800 0.223 0.000 1.112 393 D HN 0.412 nan 8.370 nan 0.000 0.561 394 M N -0.296 119.436 119.600 0.220 0.000 2.294 394 M HA 0.505 5.065 4.480 0.133 0.000 0.335 394 M C -0.406 175.781 176.300 -0.189 0.000 1.079 394 M CA -0.064 55.164 55.300 -0.121 0.000 0.982 394 M CB 1.064 33.547 32.600 -0.194 0.000 1.651 394 M HN 0.445 nan 8.290 nan 0.000 0.437 395 G N 1.723 110.132 108.800 -0.651 0.000 2.341 395 G HA2 0.171 4.210 3.960 0.133 0.000 0.293 395 G HA3 0.171 4.210 3.960 0.133 0.000 0.293 395 G C -0.240 174.212 174.900 -0.746 0.000 1.298 395 G CA -0.258 44.532 45.100 -0.516 0.000 0.868 395 G HN 0.552 nan 8.290 nan 0.000 0.540 396 S N -0.393 115.070 115.700 -0.396 0.000 2.383 396 S HA -0.129 4.420 4.470 0.133 0.000 0.229 396 S C 2.160 176.666 174.600 -0.156 0.000 1.030 396 S CA 2.653 60.663 58.200 -0.318 0.000 1.002 396 S CB -0.580 62.298 63.200 -0.536 0.000 0.829 396 S HN 0.865 nan 8.310 nan 0.000 0.467 397 F N 1.458 121.402 119.950 -0.010 0.000 2.250 397 F HA -0.072 4.531 4.527 0.128 0.000 0.301 397 F C 1.993 177.644 175.800 -0.248 0.000 1.077 397 F CA 1.517 59.225 58.000 -0.487 0.000 1.348 397 F CB -1.228 36.962 39.000 -1.350 0.000 1.040 397 F HN 0.297 nan 8.300 nan 0.000 0.509 398 H N 0.459 118.855 119.070 -1.123 0.000 2.353 398 H HA -0.101 4.535 4.556 0.133 0.000 0.300 398 H C 2.075 177.250 175.328 -0.255 0.000 1.090 398 H CA 2.137 57.832 56.048 -0.589 0.000 1.327 398 H CB 0.024 29.366 29.762 -0.700 0.000 1.383 398 H HN 0.189 nan 8.280 nan 0.000 0.508 399 I N -0.268 120.273 120.570 -0.049 0.000 2.226 399 I HA -0.278 3.972 4.170 0.133 0.000 0.245 399 I C 1.873 178.067 176.117 0.128 0.000 1.100 399 I CA 0.997 62.297 61.300 0.001 0.000 1.374 399 I CB -1.546 36.352 38.000 -0.170 0.000 1.057 399 I HN 0.474 nan 8.210 nan 0.000 0.413 400 W N 1.397 122.780 121.300 0.139 0.000 2.335 400 W HA -0.162 4.576 4.660 0.130 0.000 0.311 400 W C 2.669 179.397 176.519 0.348 0.000 1.213 400 W CA 0.938 58.458 57.345 0.292 0.000 1.274 400 W CB -0.627 29.034 29.460 0.334 0.000 1.148 400 W HN -0.005 nan 8.180 nan 0.000 0.498 401 I N -0.005 120.812 120.570 0.411 0.000 2.226 401 I HA -0.328 3.922 4.170 0.133 0.000 0.245 401 I C 2.560 178.839 176.117 0.269 0.000 1.100 401 I CA 1.426 62.916 61.300 0.317 0.000 1.374 401 I CB -0.966 37.044 38.000 0.016 0.000 1.057 401 I HN -0.019 nan 8.210 nan 0.000 0.413 402 A N 0.743 123.666 122.820 0.173 0.000 1.940 402 A HA -0.272 4.128 4.320 0.133 0.000 0.219 402 A C 2.311 180.130 177.584 0.391 0.000 1.176 402 A CA 1.983 54.188 52.037 0.279 0.000 0.631 402 A CB -0.563 18.572 19.000 0.226 0.000 0.814 402 A HN 0.320 nan 8.150 nan 0.000 0.446 403 R N -1.293 119.376 120.500 0.281 0.000 2.120 403 R HA -0.127 4.293 4.340 0.133 0.000 0.234 403 R C 0.481 176.612 176.300 -0.282 0.000 1.123 403 R CA 1.594 57.519 56.100 -0.292 0.000 0.975 403 R CB -0.588 29.490 30.300 -0.370 0.000 0.866 403 R HN 0.572 nan 8.270 nan 0.000 0.446 404 Y N -0.316 120.034 120.300 0.083 0.000 2.658 404 Y HA 0.276 4.905 4.550 0.132 0.000 0.276 404 Y C 1.109 176.920 175.900 -0.149 0.000 1.167 404 Y CA -0.415 57.565 58.100 -0.200 0.000 1.230 404 Y CB 0.210 38.615 38.460 -0.091 0.000 1.144 404 Y HN -0.038 nan 8.280 nan 0.000 0.529 405 L N -0.366 120.975 121.223 0.197 0.000 2.127 405 L HA -0.288 4.132 4.340 0.133 0.000 0.211 405 L C 2.310 179.304 176.870 0.206 0.000 1.089 405 L CA 1.682 56.691 54.840 0.283 0.000 0.757 405 L CB -0.473 41.746 42.059 0.266 0.000 0.899 405 L HN 0.547 nan 8.230 nan 0.000 0.434 406 Y N -0.868 119.578 120.300 0.243 0.000 2.403 406 Y HA -0.161 4.469 4.550 0.133 0.000 0.291 406 Y C 2.127 178.112 175.900 0.142 0.000 1.143 406 Y CA 1.158 59.372 58.100 0.190 0.000 1.257 406 Y CB -1.566 36.993 38.460 0.166 0.000 0.984 406 Y HN 0.119 nan 8.280 nan 0.000 0.550 407 T N -3.013 111.339 114.554 -0.337 0.000 3.105 407 T HA 0.253 4.683 4.350 0.133 0.000 0.253 407 T C -0.296 174.263 174.700 -0.236 0.000 1.047 407 T CA -0.423 61.543 62.100 -0.224 0.000 0.944 407 T CB -0.708 67.947 68.868 -0.355 0.000 1.016 407 T HN 0.114 nan 8.240 nan 0.000 0.544 408 F N 1.985 121.910 119.950 -0.042 0.000 2.404 408 F HA 0.567 5.176 4.527 0.135 0.000 0.339 408 F C 0.922 176.719 175.800 -0.004 0.000 1.105 408 F CA -1.310 56.683 58.000 -0.011 0.000 1.087 408 F CB 1.396 40.397 39.000 0.001 0.000 1.143 408 F HN -0.216 nan 8.300 nan 0.000 0.491 409 R N 2.240 122.837 120.500 0.162 0.000 2.935 409 R HA 0.416 4.835 4.340 0.133 0.000 0.354 409 R C -0.129 176.226 176.300 0.092 0.000 1.206 409 R CA -0.370 55.786 56.100 0.093 0.000 1.082 409 R CB 0.431 30.760 30.300 0.049 0.000 1.431 409 R HN 0.563 nan 8.270 nan 0.000 0.582 410 A N 0.451 123.342 122.820 0.118 0.000 2.425 410 A HA 0.127 4.527 4.320 0.133 0.000 0.242 410 A C 1.224 178.831 177.584 0.039 0.000 1.077 410 A CA -0.286 51.798 52.037 0.079 0.000 0.781 410 A CB 0.389 19.427 19.000 0.064 0.000 1.020 410 A HN 0.539 nan 8.150 nan 0.000 0.494 411 R N -0.426 120.093 120.500 0.031 0.000 2.096 411 R HA -0.074 4.346 4.340 0.133 0.000 0.235 411 R C 0.449 176.748 176.300 -0.000 0.000 1.127 411 R CA 1.778 57.887 56.100 0.015 0.000 0.968 411 R CB 0.046 30.358 30.300 0.019 0.000 0.861 411 R HN 0.810 nan 8.270 nan 0.000 0.440 412 Q N -0.581 119.218 119.800 -0.001 0.000 2.479 412 Q HA 0.268 4.688 4.340 0.133 0.000 0.276 412 Q C -2.093 173.888 176.000 -0.033 0.000 0.989 412 Q CA -0.624 55.165 55.803 -0.023 0.000 0.864 412 Q CB 2.632 31.352 28.738 -0.031 0.000 1.444 412 Q HN 0.027 nan 8.270 nan 0.000 0.388 413 V N 3.851 123.731 119.914 -0.056 0.000 2.443 413 V HA 0.458 4.658 4.120 0.133 0.000 0.293 413 V C -0.380 175.649 176.094 -0.109 0.000 1.021 413 V CA -0.441 61.813 62.300 -0.076 0.000 0.848 413 V CB 1.741 33.517 31.823 -0.079 0.000 0.998 413 V HN 0.781 nan 8.190 nan 0.000 0.424 414 M N 5.742 125.260 119.600 -0.136 0.000 2.069 414 M HA 0.496 5.056 4.480 0.133 0.000 0.349 414 M C 0.431 176.659 176.300 -0.119 0.000 1.194 414 M CA 0.141 55.272 55.300 -0.282 0.000 1.081 414 M CB 1.249 33.543 32.600 -0.510 0.000 1.500 414 M HN 0.747 nan 8.290 nan 0.000 0.438 415 I N 0.130 120.661 120.570 -0.065 0.000 4.738 415 I HA 0.115 4.365 4.170 0.133 0.000 0.315 415 I C 0.741 176.989 176.117 0.219 0.000 1.214 415 I CA 0.262 61.615 61.300 0.088 0.000 1.337 415 I CB 0.889 38.849 38.000 -0.066 0.000 1.433 415 I HN 0.550 nan 8.210 nan 0.000 0.472 416 S N 2.399 118.180 115.700 0.134 0.000 2.593 416 S HA -0.042 4.508 4.470 0.133 0.000 0.300 416 S C 0.083 174.814 174.600 0.218 0.000 1.267 416 S CA 0.603 58.906 58.200 0.172 0.000 1.065 416 S CB -0.247 63.025 63.200 0.120 0.000 0.807 416 S HN 0.503 nan 8.310 nan 0.000 0.499 417 N N 3.070 121.870 118.700 0.166 0.000 2.824 417 N HA 0.214 5.033 4.740 0.133 0.000 0.224 417 N C 0.684 176.203 175.510 0.015 0.000 1.418 417 N CA 0.222 53.356 53.050 0.140 0.000 0.743 417 N CB 0.154 38.727 38.487 0.143 0.000 1.395 417 N HN 0.617 nan 8.380 nan 0.000 0.548 418 G N 0.519 109.340 108.800 0.036 0.000 2.442 418 G HA2 -0.244 3.795 3.960 0.133 0.000 0.219 418 G HA3 -0.244 3.795 3.960 0.133 0.000 0.219 418 G C 0.981 175.867 174.900 -0.024 0.000 1.141 418 G CA 0.751 45.852 45.100 0.001 0.000 0.763 418 G HN 0.433 nan 8.290 nan 0.000 0.554 419 Q N -0.318 119.478 119.800 -0.006 0.000 2.435 419 Q HA 0.028 4.448 4.340 0.133 0.000 0.207 419 Q C 0.836 176.800 176.000 -0.060 0.000 0.956 419 Q CA 0.339 56.129 55.803 -0.022 0.000 0.917 419 Q CB 0.066 28.808 28.738 0.008 0.000 0.997 419 Q HN 0.672 nan 8.270 nan 0.000 0.497 420 Q N 0.271 120.018 119.800 -0.088 0.000 2.475 420 Q HA -0.129 4.291 4.340 0.133 0.000 0.280 420 Q C -0.844 175.076 176.000 -0.134 0.000 1.234 420 Q CA 0.512 56.224 55.803 -0.152 0.000 0.873 420 Q CB -1.963 26.668 28.738 -0.178 0.000 1.256 420 Q HN 0.214 nan 8.270 nan 0.000 0.475 421 T N 1.578 116.067 114.554 -0.108 0.000 2.779 421 T HA 0.329 4.759 4.350 0.133 0.000 0.296 421 T C 0.651 175.234 174.700 -0.195 0.000 0.938 421 T CA -0.196 61.834 62.100 -0.116 0.000 1.119 421 T CB 0.260 69.090 68.868 -0.063 0.000 0.891 421 T HN 0.291 nan 8.240 nan 0.000 0.526 422 M N 1.610 121.120 119.600 -0.149 0.000 2.255 422 M HA 0.595 5.154 4.480 0.133 0.000 0.336 422 M C 1.124 177.303 176.300 -0.202 0.000 1.135 422 M CA 0.111 55.332 55.300 -0.132 0.000 1.145 422 M CB 0.458 33.030 32.600 -0.047 0.000 1.473 422 M HN 0.731 nan 8.290 nan 0.000 0.462 423 G N 1.058 109.729 108.800 -0.214 0.000 2.194 423 G HA2 -0.276 3.763 3.960 0.133 0.000 0.236 423 G HA3 -0.276 3.763 3.960 0.133 0.000 0.236 423 G C 0.467 175.027 174.900 -0.567 0.000 0.987 423 G CA 0.675 45.612 45.100 -0.272 0.000 0.635 423 G HN 1.271 nan 8.290 nan 0.000 0.520 424 V N -1.202 118.148 119.914 -0.939 0.000 2.427 424 V HA 0.276 4.475 4.120 0.133 0.000 0.248 424 V C 2.951 178.376 176.094 -1.116 0.000 1.051 424 V CA 2.203 63.528 62.300 -1.625 0.000 1.048 424 V CB -1.388 29.058 31.823 -2.295 0.000 0.666 424 V HN 1.494 nan 8.190 nan 0.000 0.456 425 A N 1.253 123.766 122.820 -0.511 0.000 1.849 425 A HA -0.229 4.170 4.320 0.133 0.000 0.217 425 A C 2.233 179.859 177.584 0.070 0.000 1.202 425 A CA 2.561 54.568 52.037 -0.050 0.000 0.629 425 A CB -0.980 18.075 19.000 0.092 0.000 0.834 425 A HN 0.619 nan 8.150 nan 0.000 0.447 426 L N 0.621 121.868 121.223 0.040 0.000 1.989 426 L HA -0.081 4.339 4.340 0.133 0.000 0.211 426 L C -0.652 176.241 176.870 0.039 0.000 1.071 426 L CA 2.691 57.550 54.840 0.032 0.000 0.749 426 L CB -1.415 40.542 42.059 -0.170 0.000 0.890 426 L HN 0.178 nan 8.230 nan 0.000 0.431 427 P HA -0.172 nan 4.420 nan 0.000 0.215 427 P C 1.248 178.650 177.300 0.170 0.000 1.153 427 P CA 1.511 64.645 63.100 0.057 0.000 0.853 427 P CB -0.327 31.429 31.700 0.094 0.000 0.788 428 W N 0.141 121.444 121.300 0.006 0.000 2.338 428 W HA -0.052 4.697 4.660 0.149 0.000 0.304 428 W C 2.588 179.138 176.519 0.051 0.000 1.212 428 W CA 1.183 58.537 57.345 0.015 0.000 1.264 428 W CB -1.725 27.728 29.460 -0.012 0.000 1.142 428 W HN -0.047 nan 8.180 nan 0.000 0.512 429 A N -0.030 122.975 122.820 0.309 0.000 1.902 429 A HA -0.168 4.231 4.320 0.133 0.000 0.217 429 A C 2.062 179.796 177.584 0.250 0.000 1.181 429 A CA 1.859 54.040 52.037 0.239 0.000 0.623 429 A CB -0.963 18.157 19.000 0.201 0.000 0.818 429 A HN 0.219 nan 8.150 nan 0.000 0.443 430 I N -0.353 120.347 120.570 0.218 0.000 2.226 430 I HA -0.197 4.053 4.170 0.133 0.000 0.245 430 I C 2.702 179.015 176.117 0.327 0.000 1.100 430 I CA 1.131 62.586 61.300 0.260 0.000 1.374 430 I CB -0.634 37.475 38.000 0.182 0.000 1.057 430 I HN 0.401 nan 8.210 nan 0.000 0.413 431 G N 0.472 109.399 108.800 0.212 0.000 2.418 431 G HA2 -0.229 3.811 3.960 0.133 0.000 0.217 431 G HA3 -0.229 3.811 3.960 0.133 0.000 0.217 431 G C 1.865 176.900 174.900 0.225 0.000 1.158 431 G CA 0.824 46.035 45.100 0.185 0.000 0.771 431 G HN 0.488 nan 8.290 nan 0.000 0.545 432 A N -0.006 122.936 122.820 0.202 0.000 1.902 432 A HA -0.060 4.339 4.320 0.133 0.000 0.217 432 A C 2.159 179.852 177.584 0.182 0.000 1.181 432 A CA 1.613 53.743 52.037 0.156 0.000 0.623 432 A CB -0.770 18.309 19.000 0.133 0.000 0.818 432 A HN 0.572 nan 8.150 nan 0.000 0.443 433 W N 0.663 122.022 121.300 0.097 0.000 2.363 433 W HA -0.129 4.609 4.660 0.130 0.000 0.296 433 W C 1.604 178.182 176.519 0.099 0.000 1.212 433 W CA 1.741 59.140 57.345 0.091 0.000 1.260 433 W CB -0.276 29.241 29.460 0.094 0.000 1.131 433 W HN 0.246 nan 8.180 nan 0.000 0.530 434 L N -0.166 121.102 121.223 0.075 0.000 2.191 434 L HA -0.214 4.206 4.340 0.133 0.000 0.212 434 L C 2.157 178.927 176.870 -0.168 0.000 1.103 434 L CA 0.838 55.603 54.840 -0.124 0.000 0.769 434 L CB -0.908 41.278 42.059 0.212 0.000 0.908 434 L HN -0.125 nan 8.230 nan 0.000 0.438 435 V N -0.896 118.977 119.914 -0.068 0.000 2.453 435 V HA -0.124 4.076 4.120 0.133 0.000 0.247 435 V C 0.643 176.659 176.094 -0.130 0.000 1.048 435 V CA 1.247 63.512 62.300 -0.059 0.000 1.049 435 V CB -0.309 31.514 31.823 0.000 0.000 0.672 435 V HN 0.483 nan 8.190 nan 0.000 0.457 436 N N 0.226 118.810 118.700 -0.193 0.000 2.752 436 N HA 0.211 5.031 4.740 0.133 0.000 0.260 436 N C -2.218 173.064 175.510 -0.380 0.000 1.562 436 N CA -0.864 52.065 53.050 -0.201 0.000 0.788 436 N CB 1.508 39.941 38.487 -0.090 0.000 1.192 436 N HN 0.257 nan 8.380 nan 0.000 0.503 437 P HA -0.141 nan 4.420 nan 0.000 0.228 437 P C 0.942 178.071 177.300 -0.285 0.000 1.151 437 P CA 1.163 63.614 63.100 -1.082 0.000 0.770 437 P CB 0.454 31.494 31.700 -1.100 0.000 0.786 438 E N 0.090 120.212 120.200 -0.130 0.000 2.481 438 E HA -0.018 4.412 4.350 0.133 0.000 0.195 438 E C 0.723 177.373 176.600 0.083 0.000 1.047 438 E CA 0.313 56.725 56.400 0.019 0.000 0.867 438 E CB -0.146 29.552 29.700 -0.004 0.000 0.858 438 E HN 0.279 nan 8.360 nan 0.000 0.513 439 R N 0.220 120.772 120.500 0.087 0.000 2.782 439 R HA 0.479 4.898 4.340 0.133 0.000 0.258 439 R C -0.399 176.056 176.300 0.260 0.000 1.055 439 R CA -0.914 55.266 56.100 0.134 0.000 1.065 439 R CB 1.182 31.530 30.300 0.082 0.000 1.172 439 R HN -0.145 nan 8.270 nan 0.000 0.510 440 K N 0.339 120.857 120.400 0.197 0.000 2.098 440 K HA 0.423 4.822 4.320 0.133 0.000 0.258 440 K C -1.288 175.422 176.600 0.183 0.000 0.973 440 K CA -0.424 55.980 56.287 0.195 0.000 0.898 440 K CB 1.522 34.091 32.500 0.114 0.000 1.057 440 K HN 0.257 nan 8.250 nan 0.000 0.447 441 V N 3.208 123.223 119.914 0.169 0.000 2.709 441 V HA 0.480 4.680 4.120 0.133 0.000 0.308 441 V C -1.110 175.040 176.094 0.094 0.000 1.062 441 V CA -1.002 61.385 62.300 0.146 0.000 0.901 441 V CB 2.044 33.988 31.823 0.201 0.000 1.003 441 V HN 0.528 nan 8.190 nan 0.000 0.425 442 V N 3.446 123.405 119.914 0.076 0.000 2.448 442 V HA 0.652 4.851 4.120 0.133 0.000 0.295 442 V C -0.009 176.109 176.094 0.040 0.000 1.025 442 V CA -0.373 61.954 62.300 0.045 0.000 0.859 442 V CB 2.098 33.940 31.823 0.032 0.000 0.988 442 V HN 1.017 nan 8.190 nan 0.000 0.431 443 S N 3.951 119.668 115.700 0.028 0.000 2.482 443 S HA 0.841 5.391 4.470 0.133 0.000 0.303 443 S C -0.838 173.611 174.600 -0.252 0.000 1.091 443 S CA -0.798 57.417 58.200 0.024 0.000 1.057 443 S CB 2.020 65.362 63.200 0.236 0.000 1.031 443 S HN 0.769 nan 8.310 nan 0.000 0.485 444 V N 2.202 121.967 119.914 -0.248 0.000 2.709 444 V HA 0.911 5.110 4.120 0.133 0.000 0.308 444 V C -0.540 175.240 176.094 -0.523 0.000 1.062 444 V CA 0.252 62.291 62.300 -0.434 0.000 0.901 444 V CB 1.673 33.356 31.823 -0.233 0.000 1.003 444 V HN 1.483 nan 8.190 nan 0.000 0.425 445 S N 4.287 119.533 115.700 -0.756 0.000 2.688 445 S HA 0.893 5.443 4.470 0.133 0.000 0.275 445 S C -0.095 173.895 174.600 -1.017 0.000 1.175 445 S CA -0.206 57.456 58.200 -0.895 0.000 0.818 445 S CB 1.294 64.434 63.200 -0.100 0.000 1.157 445 S HN 1.500 nan 8.310 nan 0.000 0.482 446 G N -0.236 108.200 108.800 -0.606 0.000 2.557 446 G HA2 0.472 4.511 3.960 0.133 0.000 0.302 446 G HA3 0.472 4.511 3.960 0.133 0.000 0.302 446 G C -0.035 174.912 174.900 0.079 0.000 1.311 446 G CA -0.206 44.854 45.100 -0.066 0.000 1.030 446 G HN 0.777 nan 8.290 nan 0.000 0.509 447 D N -0.905 119.606 120.400 0.185 0.000 2.183 447 D HA -0.019 4.701 4.640 0.133 0.000 0.203 447 D C 2.141 178.634 176.300 0.321 0.000 0.969 447 D CA 1.182 55.322 54.000 0.234 0.000 0.842 447 D CB -0.596 40.467 40.800 0.439 0.000 0.957 447 D HN 0.459 nan 8.370 nan 0.000 0.484 448 G N 0.612 109.663 108.800 0.418 0.000 2.414 448 G HA2 -0.111 3.929 3.960 0.133 0.000 0.215 448 G HA3 -0.111 3.929 3.960 0.133 0.000 0.215 448 G C 1.732 176.801 174.900 0.280 0.000 1.188 448 G CA 0.770 46.128 45.100 0.430 0.000 0.783 448 G HN 0.438 nan 8.290 nan 0.000 0.537 449 G N 0.398 109.352 108.800 0.258 0.000 2.418 449 G HA2 -0.206 3.833 3.960 0.133 0.000 0.217 449 G HA3 -0.206 3.833 3.960 0.133 0.000 0.217 449 G C 1.626 176.577 174.900 0.086 0.000 1.158 449 G CA 0.980 46.161 45.100 0.135 0.000 0.771 449 G HN 0.322 nan 8.290 nan 0.000 0.545 450 F N 1.322 121.261 119.950 -0.018 0.000 2.065 450 F HA -0.074 4.540 4.527 0.144 0.000 0.298 450 F C 2.331 178.081 175.800 -0.083 0.000 1.112 450 F CA 1.337 59.287 58.000 -0.083 0.000 1.212 450 F CB -0.346 38.579 39.000 -0.125 0.000 0.975 450 F HN 0.034 nan 8.300 nan 0.000 0.476 451 L N -0.034 121.080 121.223 -0.182 0.000 2.456 451 L HA -0.167 4.252 4.340 0.133 0.000 0.224 451 L C 2.205 178.957 176.870 -0.198 0.000 1.148 451 L CA 0.909 55.586 54.840 -0.273 0.000 0.825 451 L CB -0.634 41.348 42.059 -0.129 0.000 0.937 451 L HN 0.368 nan 8.230 nan 0.000 0.450 452 Q N -0.737 118.975 119.800 -0.145 0.000 2.311 452 Q HA -0.072 4.347 4.340 0.133 0.000 0.203 452 Q C 1.695 177.595 176.000 -0.167 0.000 0.954 452 Q CA 1.542 57.268 55.803 -0.129 0.000 0.885 452 Q CB 0.288 28.975 28.738 -0.085 0.000 0.963 452 Q HN 0.533 nan 8.270 nan 0.000 0.471 453 S N -1.489 114.085 115.700 -0.210 0.000 2.847 453 S HA 0.057 4.607 4.470 0.133 0.000 0.254 453 S C 1.437 175.877 174.600 -0.266 0.000 1.039 453 S CA 0.132 58.222 58.200 -0.184 0.000 1.113 453 S CB 0.367 63.490 63.200 -0.128 0.000 1.092 453 S HN 0.208 nan 8.310 nan 0.000 0.620 454 S N 2.917 118.342 115.700 -0.458 0.000 2.500 454 S HA -0.115 4.435 4.470 0.133 0.000 0.239 454 S C 2.132 176.570 174.600 -0.271 0.000 0.989 454 S CA 0.774 58.613 58.200 -0.602 0.000 0.951 454 S CB -0.817 61.692 63.200 -1.151 0.000 0.759 454 S HN 0.698 nan 8.310 nan 0.000 0.523 455 M N 0.648 120.203 119.600 -0.074 0.000 2.358 455 M HA 0.069 4.629 4.480 0.133 0.000 0.264 455 M C 0.914 177.243 176.300 0.048 0.000 1.064 455 M CA 1.432 56.791 55.300 0.098 0.000 1.093 455 M CB -1.237 31.435 32.600 0.120 0.000 1.401 455 M HN 0.092 nan 8.290 nan 0.000 0.440 456 E N 1.489 121.660 120.200 -0.047 0.000 2.516 456 E HA 0.108 4.537 4.350 0.133 0.000 0.199 456 E C 2.198 178.737 176.600 -0.101 0.000 1.069 456 E CA 0.352 56.736 56.400 -0.027 0.000 0.876 456 E CB -0.572 29.119 29.700 -0.015 0.000 0.843 456 E HN 0.626 nan 8.360 nan 0.000 0.530 457 L N 0.743 121.787 121.223 -0.299 0.000 2.131 457 L HA -0.148 4.272 4.340 0.133 0.000 0.210 457 L C 2.541 179.303 176.870 -0.181 0.000 1.092 457 L CA 1.021 55.596 54.840 -0.443 0.000 0.759 457 L CB -0.186 41.184 42.059 -1.147 0.000 0.903 457 L HN 0.093 nan 8.230 nan 0.000 0.435 458 E N 0.015 120.255 120.200 0.067 0.000 2.072 458 E HA -0.180 4.249 4.350 0.133 0.000 0.191 458 E C 1.936 178.609 176.600 0.122 0.000 0.985 458 E CA 1.829 58.385 56.400 0.261 0.000 0.801 458 E CB 0.052 29.943 29.700 0.318 0.000 0.750 458 E HN 0.395 nan 8.360 nan 0.000 0.452 459 T N 1.079 115.689 114.554 0.093 0.000 2.708 459 T HA -0.108 4.322 4.350 0.133 0.000 0.266 459 T C 1.924 176.665 174.700 0.069 0.000 1.037 459 T CA 1.724 63.882 62.100 0.097 0.000 1.146 459 T CB -0.367 68.571 68.868 0.116 0.000 0.865 459 T HN 0.328 nan 8.240 nan 0.000 0.435 460 A N 1.027 123.858 122.820 0.018 0.000 1.883 460 A HA -0.070 4.329 4.320 0.133 0.000 0.217 460 A C 2.615 180.168 177.584 -0.052 0.000 1.186 460 A CA 1.509 53.521 52.037 -0.041 0.000 0.624 460 A CB -1.133 17.819 19.000 -0.080 0.000 0.822 460 A HN 0.342 nan 8.150 nan 0.000 0.444 461 V N 0.130 120.039 119.914 -0.008 0.000 2.287 461 V HA -0.291 3.908 4.120 0.133 0.000 0.248 461 V C 2.696 178.805 176.094 0.025 0.000 1.053 461 V CA 2.465 64.773 62.300 0.013 0.000 1.027 461 V CB -0.816 31.047 31.823 0.068 0.000 0.646 461 V HN 0.730 nan 8.190 nan 0.000 0.447 462 R N -0.120 120.411 120.500 0.052 0.000 2.105 462 R HA -0.130 4.290 4.340 0.133 0.000 0.239 462 R C 2.049 178.392 176.300 0.073 0.000 1.135 462 R CA 1.718 57.857 56.100 0.065 0.000 0.967 462 R CB -0.255 30.093 30.300 0.081 0.000 0.861 462 R HN 0.483 nan 8.270 nan 0.000 0.442 463 L N 0.485 121.752 121.223 0.073 0.000 2.509 463 L HA 0.117 4.537 4.340 0.133 0.000 0.222 463 L C 0.371 177.265 176.870 0.039 0.000 1.123 463 L CA 0.358 55.270 54.840 0.120 0.000 0.856 463 L CB 0.003 42.178 42.059 0.195 0.000 0.985 463 L HN 0.179 nan 8.230 nan 0.000 0.456 464 K N -0.191 120.173 120.400 -0.060 0.000 3.071 464 K HA -0.181 4.219 4.320 0.133 0.000 0.265 464 K C 0.335 176.665 176.600 -0.451 0.000 1.060 464 K CA 0.308 56.520 56.287 -0.126 0.000 0.767 464 K CB -1.728 30.774 32.500 0.004 0.000 1.241 464 K HN 0.352 nan 8.250 nan 0.000 0.486 465 A N 1.293 123.677 122.820 -0.726 0.000 2.520 465 A HA 0.111 4.510 4.320 0.133 0.000 0.245 465 A C 0.595 177.502 177.584 -1.128 0.000 1.072 465 A CA -0.047 51.015 52.037 -1.626 0.000 0.761 465 A CB 0.208 18.690 19.000 -0.864 0.000 1.004 465 A HN 0.340 nan 8.150 nan 0.000 0.499 466 N N 2.257 120.078 118.700 -1.464 0.000 3.245 466 N HA 0.296 5.116 4.740 0.133 0.000 0.296 466 N C -1.073 174.258 175.510 -0.298 0.000 1.254 466 N CA 0.163 52.910 53.050 -0.505 0.000 1.190 466 N CB -0.189 38.255 38.487 -0.070 0.000 1.460 466 N HN 0.296 nan 8.380 nan 0.000 0.538 467 V N 2.397 122.164 119.914 -0.244 0.000 2.495 467 V HA 0.413 4.613 4.120 0.133 0.000 0.298 467 V C -0.372 175.717 176.094 -0.008 0.000 1.031 467 V CA -1.045 61.211 62.300 -0.074 0.000 0.871 467 V CB 1.899 33.693 31.823 -0.049 0.000 0.988 467 V HN 0.229 nan 8.190 nan 0.000 0.432 468 L N 4.702 125.942 121.223 0.028 0.000 2.298 468 L HA 0.603 5.022 4.340 0.133 0.000 0.284 468 L C -0.644 176.259 176.870 0.054 0.000 1.013 468 L CA -0.099 54.761 54.840 0.034 0.000 0.824 468 L CB 0.998 43.056 42.059 -0.002 0.000 1.221 468 L HN 0.765 nan 8.230 nan 0.000 0.418 469 H N 4.763 123.826 119.070 -0.011 0.000 2.488 469 H HA 0.617 5.254 4.556 0.135 0.000 0.322 469 H C -1.284 173.996 175.328 -0.080 0.000 1.078 469 H CA -0.389 55.642 56.048 -0.029 0.000 1.260 469 H CB 0.986 30.747 29.762 -0.001 0.000 1.425 469 H HN 0.674 nan 8.280 nan 0.000 0.471 470 L N 6.853 127.740 121.223 -0.559 0.000 2.307 470 L HA 0.414 4.834 4.340 0.133 0.000 0.284 470 L C -0.456 176.140 176.870 -0.456 0.000 1.023 470 L CA -0.699 53.928 54.840 -0.354 0.000 0.810 470 L CB 1.600 43.562 42.059 -0.161 0.000 1.231 470 L HN 0.600 nan 8.230 nan 0.000 0.423 471 I N 1.469 121.838 120.570 -0.335 0.000 2.355 471 I HA 0.204 4.454 4.170 0.133 0.000 0.288 471 I C -1.014 175.012 176.117 -0.152 0.000 0.999 471 I CA -0.406 60.672 61.300 -0.370 0.000 1.163 471 I CB 1.293 38.844 38.000 -0.748 0.000 1.316 471 I HN 0.493 nan 8.210 nan 0.000 0.454 472 W N 6.538 127.608 121.300 -0.382 0.000 2.437 472 W HA 0.359 5.100 4.660 0.135 0.000 0.312 472 W C -0.267 176.128 176.519 -0.206 0.000 1.242 472 W CA -0.544 56.644 57.345 -0.261 0.000 1.340 472 W CB 0.588 29.957 29.460 -0.152 0.000 1.327 472 W HN 0.089 nan 8.180 nan 0.000 0.476 473 V N 5.576 125.462 119.914 -0.046 0.000 2.383 473 V HA 0.178 4.377 4.120 0.133 0.000 0.275 473 V C 0.597 176.671 176.094 -0.034 0.000 1.036 473 V CA -0.293 62.012 62.300 0.008 0.000 0.889 473 V CB 1.490 33.351 31.823 0.063 0.000 0.985 473 V HN 0.631 nan 8.190 nan 0.000 0.459 474 D N 2.683 123.107 120.400 0.039 0.000 2.490 474 D HA -0.005 4.715 4.640 0.133 0.000 0.246 474 D C 0.342 176.604 176.300 -0.062 0.000 1.196 474 D CA -0.169 53.820 54.000 -0.017 0.000 0.812 474 D CB 0.103 40.967 40.800 0.105 0.000 1.191 474 D HN 0.472 nan 8.370 nan 0.000 0.531 475 N N 0.452 119.127 118.700 -0.041 0.000 2.754 475 N HA -0.080 4.739 4.740 0.133 0.000 0.248 475 N C 0.169 174.995 175.510 -1.139 0.000 1.093 475 N CA 1.460 54.345 53.050 -0.276 0.000 0.699 475 N CB -1.381 37.034 38.487 -0.120 0.000 1.016 475 N HN 0.696 nan 8.380 nan 0.000 0.552 476 G N -1.520 106.582 108.800 -1.162 0.000 2.495 476 G HA2 0.473 4.513 3.960 0.133 0.000 0.294 476 G HA3 0.473 4.513 3.960 0.133 0.000 0.294 476 G C -1.533 173.131 174.900 -0.395 0.000 1.397 476 G CA -0.907 43.486 45.100 -1.178 0.000 0.790 476 G HN 0.096 nan 8.290 nan 0.000 0.486 477 Y N 2.176 122.460 120.300 -0.027 0.000 2.817 477 Y HA 0.211 4.841 4.550 0.134 0.000 0.339 477 Y C 1.892 177.815 175.900 0.038 0.000 1.281 477 Y CA -0.649 57.522 58.100 0.118 0.000 1.564 477 Y CB 0.582 39.126 38.460 0.140 0.000 1.628 477 Y HN 0.620 nan 8.280 nan 0.000 0.489 478 N N 2.058 120.858 118.700 0.167 0.000 2.069 478 N HA -0.250 4.570 4.740 0.133 0.000 0.191 478 N C 1.992 177.474 175.510 -0.045 0.000 1.031 478 N CA 1.566 54.639 53.050 0.038 0.000 0.852 478 N CB 0.057 38.521 38.487 -0.038 0.000 1.018 478 N HN 0.674 nan 8.380 nan 0.000 0.423 479 M N 0.619 120.184 119.600 -0.059 0.000 2.195 479 M HA -0.148 4.412 4.480 0.133 0.000 0.260 479 M C 1.727 177.979 176.300 -0.080 0.000 1.066 479 M CA 1.307 56.535 55.300 -0.119 0.000 1.089 479 M CB 0.169 32.675 32.600 -0.157 0.000 1.377 479 M HN -0.017 nan 8.290 nan 0.000 0.411 480 V N 0.155 120.059 119.914 -0.017 0.000 2.407 480 V HA -0.116 4.084 4.120 0.133 0.000 0.245 480 V C 2.621 178.717 176.094 0.002 0.000 1.041 480 V CA 1.508 63.802 62.300 -0.011 0.000 1.040 480 V CB -1.218 30.617 31.823 0.021 0.000 0.671 480 V HN 0.616 nan 8.190 nan 0.000 0.455 481 A N 1.366 124.204 122.820 0.029 0.000 1.892 481 A HA -0.239 4.161 4.320 0.133 0.000 0.218 481 A C 2.161 179.736 177.584 -0.015 0.000 1.188 481 A CA 2.312 54.363 52.037 0.023 0.000 0.631 481 A CB -0.711 18.306 19.000 0.029 0.000 0.822 481 A HN 0.696 nan 8.150 nan 0.000 0.447 482 I N -2.905 117.639 120.570 -0.043 0.000 2.454 482 I HA -0.274 3.976 4.170 0.133 0.000 0.254 482 I C 2.130 178.196 176.117 -0.085 0.000 1.156 482 I CA 1.965 63.228 61.300 -0.061 0.000 1.433 482 I CB -0.623 37.328 38.000 -0.083 0.000 1.082 482 I HN 0.358 nan 8.210 nan 0.000 0.432 483 Q N 1.270 121.011 119.800 -0.098 0.000 2.137 483 Q HA -0.101 4.319 4.340 0.133 0.000 0.198 483 Q C 2.096 177.974 176.000 -0.203 0.000 0.960 483 Q CA 1.306 57.026 55.803 -0.137 0.000 0.847 483 Q CB -0.056 28.608 28.738 -0.123 0.000 0.915 483 Q HN 0.639 nan 8.270 nan 0.000 0.448 484 E N 0.925 121.043 120.200 -0.138 0.000 2.051 484 E HA -0.239 4.190 4.350 0.133 0.000 0.192 484 E C 1.874 178.363 176.600 -0.185 0.000 0.991 484 E CA 1.146 57.458 56.400 -0.146 0.000 0.799 484 E CB 0.026 29.771 29.700 0.076 0.000 0.748 484 E HN 0.204 nan 8.360 nan 0.000 0.449 485 E N 1.678 121.828 120.200 -0.084 0.000 2.023 485 E HA -0.246 4.184 4.350 0.133 0.000 0.196 485 E C 1.907 178.449 176.600 -0.097 0.000 1.003 485 E CA 1.659 58.027 56.400 -0.052 0.000 0.809 485 E CB -0.108 29.576 29.700 -0.026 0.000 0.755 485 E HN -0.073 nan 8.360 nan 0.000 0.449 486 K N 0.268 120.594 120.400 -0.123 0.000 2.160 486 K HA -0.144 4.256 4.320 0.133 0.000 0.206 486 K C 1.724 178.220 176.600 -0.173 0.000 1.047 486 K CA 1.732 57.946 56.287 -0.122 0.000 0.930 486 K CB 0.033 32.462 32.500 -0.118 0.000 0.720 486 K HN 0.106 nan 8.250 nan 0.000 0.450 487 K N -2.033 118.162 120.400 -0.342 0.000 2.244 487 K HA 0.048 4.447 4.320 0.133 0.000 0.200 487 K C 1.214 177.607 176.600 -0.345 0.000 1.052 487 K CA 0.876 56.872 56.287 -0.486 0.000 0.980 487 K CB 0.311 32.258 32.500 -0.922 0.000 0.838 487 K HN 0.225 nan 8.250 nan 0.000 0.481 488 Y N 0.149 120.448 120.300 -0.002 0.000 2.453 488 Y HA 0.129 4.758 4.550 0.131 0.000 0.247 488 Y C -0.240 175.662 175.900 0.003 0.000 1.124 488 Y CA -0.750 57.350 58.100 0.000 0.000 1.243 488 Y CB 0.760 39.220 38.460 0.001 0.000 1.213 488 Y HN -0.109 nan 8.280 nan 0.000 0.523 489 Q N 0.938 120.786 119.800 0.080 0.000 2.480 489 Q HA -0.231 4.189 4.340 0.133 0.000 0.265 489 Q C -0.518 175.525 176.000 0.071 0.000 1.072 489 Q CA 1.244 57.080 55.803 0.056 0.000 1.018 489 Q CB -1.561 27.207 28.738 0.050 0.000 1.433 489 Q HN 0.768 nan 8.270 nan 0.000 0.513 490 R N -1.871 118.688 120.500 0.099 0.000 2.664 490 R HA 0.702 5.122 4.340 0.133 0.000 0.266 490 R C -1.320 175.041 176.300 0.103 0.000 1.046 490 R CA -1.167 54.985 56.100 0.087 0.000 0.885 490 R CB 1.035 31.383 30.300 0.080 0.000 1.254 490 R HN 0.026 nan 8.270 nan 0.000 0.465 491 L N 1.267 122.534 121.223 0.073 0.000 2.375 491 L HA 0.709 5.129 4.340 0.133 0.000 0.268 491 L C -0.292 176.622 176.870 0.074 0.000 1.058 491 L CA -0.981 53.904 54.840 0.074 0.000 0.803 491 L CB 1.977 44.066 42.059 0.049 0.000 1.212 491 L HN 0.976 nan 8.230 nan 0.000 0.451 492 S N -0.902 114.849 115.700 0.085 0.000 2.626 492 S HA 0.528 5.078 4.470 0.133 0.000 0.275 492 S C 0.122 174.780 174.600 0.095 0.000 1.175 492 S CA -0.207 58.038 58.200 0.076 0.000 0.982 492 S CB 1.408 64.645 63.200 0.063 0.000 1.093 492 S HN 1.152 nan 8.310 nan 0.000 0.472 493 G N 1.435 110.295 108.800 0.099 0.000 2.225 493 G HA2 -0.254 3.786 3.960 0.133 0.000 0.267 493 G HA3 -0.254 3.786 3.960 0.133 0.000 0.267 493 G C 0.507 175.545 174.900 0.230 0.000 1.024 493 G CA 0.730 45.918 45.100 0.146 0.000 0.784 493 G HN 2.084 nan 8.290 nan 0.000 0.507 494 V N -3.837 116.180 119.914 0.171 0.000 3.477 494 V HA 0.526 4.726 4.120 0.133 0.000 0.297 494 V C 0.439 176.510 176.094 -0.039 0.000 1.433 494 V CA 0.457 62.875 62.300 0.196 0.000 1.052 494 V CB 0.186 32.098 31.823 0.147 0.000 0.895 494 V HN 0.378 nan 8.190 nan 0.000 0.438 495 E N 1.495 121.655 120.200 -0.067 0.000 2.199 495 E HA 0.713 5.142 4.350 0.133 0.000 0.269 495 E C -1.137 175.381 176.600 -0.137 0.000 0.899 495 E CA -0.666 55.598 56.400 -0.227 0.000 0.772 495 E CB 2.300 31.932 29.700 -0.114 0.000 1.155 495 E HN 0.479 nan 8.360 nan 0.000 0.408 496 F N -0.797 119.096 119.950 -0.096 0.000 2.790 496 F HA 0.781 5.391 4.527 0.138 0.000 0.337 496 F C 0.359 176.127 175.800 -0.053 0.000 1.163 496 F CA -1.375 56.575 58.000 -0.083 0.000 0.997 496 F CB 0.077 38.995 39.000 -0.138 0.000 1.437 496 F HN 0.416 nan 8.300 nan 0.000 0.512 497 G N 0.158 109.147 108.800 0.316 0.000 2.562 497 G HA2 0.576 4.615 3.960 0.133 0.000 0.275 497 G HA3 0.576 4.615 3.960 0.133 0.000 0.275 497 G C -2.778 172.237 174.900 0.191 0.000 1.196 497 G CA -1.474 43.728 45.100 0.170 0.000 0.908 497 G HN 0.632 nan 8.290 nan 0.000 0.524 498 P HA 0.451 nan 4.420 nan 0.000 0.278 498 P C -0.807 176.432 177.300 -0.102 0.000 1.266 498 P CA -0.329 62.783 63.100 0.019 0.000 0.807 498 P CB 1.577 33.279 31.700 0.003 0.000 1.094 499 M N 0.096 119.529 119.600 -0.278 0.000 2.520 499 M HA 0.204 4.763 4.480 0.133 0.000 0.283 499 M C -0.797 175.197 176.300 -0.511 0.000 1.237 499 M CA -0.623 54.387 55.300 -0.483 0.000 0.885 499 M CB 2.534 34.615 32.600 -0.866 0.000 1.727 499 M HN 0.217 nan 8.290 nan 0.000 0.468 500 D N 1.496 121.718 120.400 -0.296 0.000 2.522 500 D HA 0.222 4.942 4.640 0.133 0.000 0.218 500 D C 0.233 176.500 176.300 -0.056 0.000 1.149 500 D CA 0.027 53.955 54.000 -0.120 0.000 0.981 500 D CB -0.001 40.785 40.800 -0.024 0.000 1.041 500 D HN 0.445 nan 8.370 nan 0.000 0.518 501 F N 1.666 121.665 119.950 0.083 0.000 2.250 501 F HA -0.121 4.483 4.527 0.129 0.000 0.301 501 F C 2.476 178.367 175.800 0.152 0.000 1.077 501 F CA 0.702 58.762 58.000 0.100 0.000 1.348 501 F CB 0.094 39.067 39.000 -0.044 0.000 1.040 501 F HN 0.288 nan 8.300 nan 0.000 0.509 502 K N 0.796 121.349 120.400 0.254 0.000 2.025 502 K HA -0.145 4.255 4.320 0.133 0.000 0.207 502 K C 2.287 178.975 176.600 0.147 0.000 1.049 502 K CA 1.237 57.620 56.287 0.160 0.000 0.933 502 K CB -0.296 32.254 32.500 0.084 0.000 0.714 502 K HN 0.173 nan 8.250 nan 0.000 0.438 503 A N 0.195 123.096 122.820 0.134 0.000 1.969 503 A HA -0.170 4.230 4.320 0.133 0.000 0.218 503 A C 2.022 179.712 177.584 0.177 0.000 1.169 503 A CA 1.228 53.330 52.037 0.108 0.000 0.635 503 A CB -0.829 18.213 19.000 0.070 0.000 0.810 503 A HN 0.577 nan 8.150 nan 0.000 0.445 504 Y N 0.706 121.096 120.300 0.150 0.000 2.097 504 Y HA -0.185 4.442 4.550 0.128 0.000 0.282 504 Y C 2.696 178.837 175.900 0.402 0.000 1.152 504 Y CA 1.714 59.970 58.100 0.261 0.000 1.136 504 Y CB -0.561 38.111 38.460 0.353 0.000 0.975 504 Y HN 0.306 nan 8.280 nan 0.000 0.498 505 A N 0.197 123.315 122.820 0.496 0.000 1.902 505 A HA -0.219 4.181 4.320 0.133 0.000 0.217 505 A C 2.028 179.771 177.584 0.265 0.000 1.181 505 A CA 1.973 54.234 52.037 0.373 0.000 0.623 505 A CB -0.747 18.417 19.000 0.272 0.000 0.818 505 A HN 0.679 nan 8.150 nan 0.000 0.443 506 E N 0.367 120.661 120.200 0.157 0.000 2.204 506 E HA -0.132 4.298 4.350 0.133 0.000 0.194 506 E C 2.178 178.810 176.600 0.054 0.000 0.989 506 E CA 1.166 57.610 56.400 0.074 0.000 0.824 506 E CB -0.218 29.492 29.700 0.016 0.000 0.756 506 E HN 0.805 nan 8.360 nan 0.000 0.477 507 S N 0.278 115.990 115.700 0.020 0.000 2.469 507 S HA -0.115 4.435 4.470 0.133 0.000 0.238 507 S C 1.555 176.039 174.600 -0.193 0.000 0.998 507 S CA 0.639 58.764 58.200 -0.125 0.000 0.957 507 S CB -0.340 62.713 63.200 -0.245 0.000 0.764 507 S HN 0.159 nan 8.310 nan 0.000 0.514 508 F N 1.809 121.698 119.950 -0.103 0.000 2.743 508 F HA 0.377 4.981 4.527 0.128 0.000 0.297 508 F C 2.099 177.873 175.800 -0.043 0.000 1.131 508 F CA 0.311 58.263 58.000 -0.080 0.000 1.426 508 F CB -0.149 38.808 39.000 -0.071 0.000 1.116 508 F HN 0.420 nan 8.300 nan 0.000 0.583 509 G N 0.163 109.042 108.800 0.131 0.000 2.157 509 G HA2 -0.093 3.946 3.960 0.133 0.000 0.239 509 G HA3 -0.093 3.946 3.960 0.133 0.000 0.239 509 G C 0.241 175.186 174.900 0.075 0.000 0.982 509 G CA -0.146 44.997 45.100 0.072 0.000 0.650 509 G HN 0.610 nan 8.290 nan 0.000 0.527 510 A N -0.209 122.675 122.820 0.106 0.000 2.264 510 A HA 0.771 5.171 4.320 0.133 0.000 0.304 510 A C 0.377 177.991 177.584 0.050 0.000 1.100 510 A CA -0.457 51.622 52.037 0.071 0.000 0.839 510 A CB 0.730 19.770 19.000 0.066 0.000 1.121 510 A HN 0.148 nan 8.150 nan 0.000 0.496 511 K N 0.648 121.076 120.400 0.048 0.000 2.276 511 K HA 0.463 4.862 4.320 0.133 0.000 0.283 511 K C 0.165 176.746 176.600 -0.031 0.000 1.044 511 K CA 0.160 56.437 56.287 -0.017 0.000 0.944 511 K CB 1.003 33.551 32.500 0.080 0.000 1.012 511 K HN 0.797 nan 8.250 nan 0.000 0.472 512 G N 2.150 110.802 108.800 -0.247 0.000 2.452 512 G HA2 0.733 4.773 3.960 0.133 0.000 0.324 512 G HA3 0.733 4.773 3.960 0.133 0.000 0.324 512 G C -1.289 173.330 174.900 -0.469 0.000 1.214 512 G CA -0.474 44.537 45.100 -0.148 0.000 0.947 512 G HN 0.302 nan 8.290 nan 0.000 0.478 513 F N 0.070 120.044 119.950 0.040 0.000 2.599 513 F HA 0.745 5.351 4.527 0.131 0.000 0.311 513 F C 0.216 176.030 175.800 0.025 0.000 1.076 513 F CA -0.984 57.029 58.000 0.021 0.000 0.937 513 F CB 2.880 41.879 39.000 -0.003 0.000 1.282 513 F HN 0.680 nan 8.300 nan 0.000 0.460 514 A N 1.632 124.572 122.820 0.199 0.000 2.385 514 A HA 0.697 5.096 4.320 0.133 0.000 0.290 514 A C -1.500 176.141 177.584 0.096 0.000 1.094 514 A CA -0.690 51.428 52.037 0.134 0.000 0.729 514 A CB 0.874 19.942 19.000 0.113 0.000 1.194 514 A HN 0.524 nan 8.150 nan 0.000 0.442 515 V N 3.278 123.236 119.914 0.072 0.000 2.439 515 V HA 0.126 4.326 4.120 0.133 0.000 0.271 515 V C 0.761 176.864 176.094 0.016 0.000 1.040 515 V CA 0.435 62.748 62.300 0.023 0.000 1.002 515 V CB 0.518 32.343 31.823 0.004 0.000 1.000 515 V HN 1.012 nan 8.190 nan 0.000 0.477 516 E N 2.761 122.859 120.200 -0.170 0.000 2.498 516 E HA 0.171 4.601 4.350 0.133 0.000 0.203 516 E C 0.325 176.225 176.600 -1.166 0.000 1.013 516 E CA 0.167 56.300 56.400 -0.446 0.000 0.927 516 E CB 0.795 30.357 29.700 -0.229 0.000 1.012 516 E HN 0.776 nan 8.360 nan 0.000 0.482 517 S N -1.467 113.732 115.700 -0.834 0.000 2.552 517 S HA 0.518 5.067 4.470 0.133 0.000 0.272 517 S C 0.524 174.949 174.600 -0.291 0.000 1.150 517 S CA -0.397 57.367 58.200 -0.728 0.000 0.849 517 S CB 1.432 64.377 63.200 -0.425 0.000 1.113 517 S HN -0.032 nan 8.310 nan 0.000 0.458 518 A N 1.122 123.862 122.820 -0.133 0.000 1.940 518 A HA -0.033 4.366 4.320 0.133 0.000 0.219 518 A C 1.685 179.216 177.584 -0.088 0.000 1.176 518 A CA 2.023 54.027 52.037 -0.055 0.000 0.631 518 A CB -1.108 17.880 19.000 -0.020 0.000 0.814 518 A HN 0.911 nan 8.150 nan 0.000 0.446 519 E N -0.040 120.098 120.200 -0.103 0.000 2.204 519 E HA 0.020 4.450 4.350 0.133 0.000 0.195 519 E C 1.919 178.465 176.600 -0.091 0.000 0.990 519 E CA 1.093 57.440 56.400 -0.089 0.000 0.821 519 E CB -0.307 29.342 29.700 -0.085 0.000 0.750 519 E HN 0.610 nan 8.360 nan 0.000 0.477 520 A N 0.222 122.977 122.820 -0.110 0.000 2.178 520 A HA 0.055 4.454 4.320 0.133 0.000 0.211 520 A C 1.830 179.359 177.584 -0.091 0.000 1.157 520 A CA 0.067 52.047 52.037 -0.094 0.000 0.780 520 A CB -0.255 18.685 19.000 -0.101 0.000 0.828 520 A HN 0.211 nan 8.150 nan 0.000 0.476 521 L N 0.501 121.666 121.223 -0.098 0.000 1.944 521 L HA -0.190 4.230 4.340 0.133 0.000 0.218 521 L C 2.157 178.960 176.870 -0.111 0.000 1.075 521 L CA 2.725 57.501 54.840 -0.107 0.000 0.767 521 L CB -0.844 41.147 42.059 -0.113 0.000 0.890 521 L HN 0.395 nan 8.230 nan 0.000 0.434 522 E N -0.337 119.804 120.200 -0.099 0.000 2.058 522 E HA -0.186 4.243 4.350 0.133 0.000 0.194 522 E C -0.234 176.308 176.600 -0.096 0.000 0.997 522 E CA 2.112 58.456 56.400 -0.093 0.000 0.801 522 E CB -1.643 28.011 29.700 -0.077 0.000 0.746 522 E HN 0.479 nan 8.360 nan 0.000 0.450 523 P HA -0.091 nan 4.420 nan 0.000 0.216 523 P C 1.125 178.353 177.300 -0.120 0.000 1.153 523 P CA 1.544 64.594 63.100 -0.083 0.000 0.848 523 P CB 0.026 31.690 31.700 -0.061 0.000 0.787 524 T N -0.204 114.266 114.554 -0.139 0.000 2.708 524 T HA -0.086 4.344 4.350 0.133 0.000 0.266 524 T C 1.757 176.232 174.700 -0.375 0.000 1.037 524 T CA 1.065 63.023 62.100 -0.236 0.000 1.146 524 T CB -0.945 67.828 68.868 -0.158 0.000 0.865 524 T HN 0.041 nan 8.240 nan 0.000 0.435 525 L N 0.456 121.529 121.223 -0.250 0.000 2.046 525 L HA -0.095 4.325 4.340 0.133 0.000 0.208 525 L C 2.865 179.612 176.870 -0.205 0.000 1.077 525 L CA 1.207 55.910 54.840 -0.227 0.000 0.747 525 L CB -0.421 41.552 42.059 -0.142 0.000 0.896 525 L HN 0.117 nan 8.230 nan 0.000 0.432 526 R N 0.556 120.960 120.500 -0.159 0.000 2.081 526 R HA -0.109 4.311 4.340 0.133 0.000 0.235 526 R C 2.208 178.430 176.300 -0.131 0.000 1.131 526 R CA 1.649 57.680 56.100 -0.115 0.000 0.960 526 R CB -0.567 29.684 30.300 -0.081 0.000 0.856 526 R HN 0.322 nan 8.270 nan 0.000 0.436 527 A N 0.003 122.710 122.820 -0.187 0.000 1.898 527 A HA 0.020 4.420 4.320 0.133 0.000 0.216 527 A C 2.331 179.774 177.584 -0.236 0.000 1.181 527 A CA 1.603 53.540 52.037 -0.166 0.000 0.620 527 A CB -0.979 17.935 19.000 -0.143 0.000 0.819 527 A HN 0.447 nan 8.150 nan 0.000 0.442 528 A N -1.108 121.397 122.820 -0.524 0.000 1.930 528 A HA -0.079 4.321 4.320 0.133 0.000 0.217 528 A C 2.165 179.661 177.584 -0.145 0.000 1.175 528 A CA 1.805 53.568 52.037 -0.456 0.000 0.627 528 A CB -0.445 18.168 19.000 -0.646 0.000 0.815 528 A HN 0.413 nan 8.150 nan 0.000 0.443 529 M N -0.001 119.519 119.600 -0.133 0.000 2.229 529 M HA -0.099 4.461 4.480 0.133 0.000 0.264 529 M C 0.894 177.182 176.300 -0.020 0.000 1.063 529 M CA 1.265 56.532 55.300 -0.055 0.000 1.114 529 M CB -1.100 31.471 32.600 -0.049 0.000 1.387 529 M HN 0.354 nan 8.290 nan 0.000 0.420 530 D N 0.003 120.388 120.400 -0.025 0.000 2.317 530 D HA 0.014 4.733 4.640 0.133 0.000 0.211 530 D C 0.503 176.819 176.300 0.027 0.000 0.966 530 D CA 0.210 54.213 54.000 0.005 0.000 0.876 530 D CB 0.225 41.026 40.800 0.001 0.000 0.927 530 D HN 0.111 nan 8.370 nan 0.000 0.519 531 V N 1.926 121.863 119.914 0.038 0.000 2.673 531 V HA -0.091 4.109 4.120 0.133 0.000 0.303 531 V C 0.605 176.725 176.094 0.044 0.000 1.046 531 V CA 0.054 62.394 62.300 0.066 0.000 1.126 531 V CB 1.064 32.956 31.823 0.115 0.000 0.934 531 V HN -0.027 nan 8.190 nan 0.000 0.487 532 D N 3.731 124.157 120.400 0.043 0.000 2.563 532 D HA 0.521 5.240 4.640 0.133 0.000 0.222 532 D C 0.293 176.599 176.300 0.011 0.000 1.145 532 D CA 1.093 55.115 54.000 0.036 0.000 1.001 532 D CB -0.057 40.772 40.800 0.048 0.000 1.049 532 D HN 0.857 nan 8.370 nan 0.000 0.515 533 G N 2.201 110.986 108.800 -0.026 0.000 2.356 533 G HA2 0.087 4.127 3.960 0.133 0.000 0.288 533 G HA3 0.087 4.127 3.960 0.133 0.000 0.288 533 G C -3.066 171.787 174.900 -0.079 0.000 1.302 533 G CA -0.981 44.072 45.100 -0.080 0.000 0.887 533 G HN 0.115 nan 8.290 nan 0.000 0.521 534 P HA 0.495 nan 4.420 nan 0.000 0.271 534 P C -0.379 176.942 177.300 0.035 0.000 1.216 534 P CA 0.502 63.573 63.100 -0.048 0.000 0.771 534 P CB 1.544 33.205 31.700 -0.066 0.000 0.864 535 A N 3.106 125.971 122.820 0.075 0.000 2.515 535 A HA 0.653 5.052 4.320 0.133 0.000 0.298 535 A C -1.256 176.430 177.584 0.170 0.000 1.059 535 A CA -0.638 51.502 52.037 0.170 0.000 0.698 535 A CB 1.695 20.832 19.000 0.229 0.000 1.289 535 A HN 0.297 nan 8.150 nan 0.000 0.404 536 V N 1.597 121.646 119.914 0.224 0.000 2.531 536 V HA 0.551 4.750 4.120 0.133 0.000 0.301 536 V C -0.758 175.456 176.094 0.201 0.000 1.034 536 V CA -0.517 61.883 62.300 0.166 0.000 0.865 536 V CB 1.743 33.646 31.823 0.132 0.000 0.995 536 V HN 0.717 nan 8.190 nan 0.000 0.424 537 V N 3.916 123.873 119.914 0.071 0.000 2.407 537 V HA 0.728 4.928 4.120 0.133 0.000 0.291 537 V C 0.389 176.444 176.094 -0.066 0.000 1.018 537 V CA -0.624 61.709 62.300 0.054 0.000 0.842 537 V CB 1.707 33.504 31.823 -0.043 0.000 0.996 537 V HN 0.978 nan 8.190 nan 0.000 0.426 538 A N 6.537 129.344 122.820 -0.022 0.000 2.328 538 A HA 0.839 5.238 4.320 0.133 0.000 0.284 538 A C -0.422 177.126 177.584 -0.060 0.000 1.160 538 A CA -0.245 51.741 52.037 -0.085 0.000 0.818 538 A CB 0.147 19.196 19.000 0.081 0.000 1.087 538 A HN 0.808 nan 8.150 nan 0.000 0.504 539 I N 4.212 124.699 120.570 -0.138 0.000 2.466 539 I HA 0.250 4.500 4.170 0.133 0.000 0.279 539 I C -2.571 173.423 176.117 -0.205 0.000 1.033 539 I CA -1.980 59.216 61.300 -0.173 0.000 1.123 539 I CB 2.116 39.917 38.000 -0.331 0.000 1.237 539 I HN 0.378 nan 8.210 nan 0.000 0.460 540 P HA 0.038 nan 4.420 nan 0.000 0.265 540 P C -0.666 176.404 177.300 -0.384 0.000 1.193 540 P CA 0.101 63.062 63.100 -0.232 0.000 0.765 540 P CB 1.081 32.613 31.700 -0.280 0.000 0.823 541 V N 2.983 122.636 119.914 -0.435 0.000 2.823 541 V HA 0.439 4.639 4.120 0.133 0.000 0.312 541 V C -1.181 174.599 176.094 -0.524 0.000 1.072 541 V CA -0.753 61.209 62.300 -0.563 0.000 0.937 541 V CB 2.278 33.667 31.823 -0.723 0.000 1.013 541 V HN 0.358 nan 8.190 nan 0.000 0.430 542 D N 3.875 124.001 120.400 -0.457 0.000 2.373 542 D HA 0.277 4.997 4.640 0.133 0.000 0.227 542 D C -0.125 176.054 176.300 -0.202 0.000 1.091 542 D CA 0.147 53.972 54.000 -0.291 0.000 0.840 542 D CB 0.836 41.501 40.800 -0.225 0.000 1.060 542 D HN 0.618 nan 8.370 nan 0.000 0.502 543 Y N 2.343 122.607 120.300 -0.060 0.000 2.493 543 Y HA 0.158 4.787 4.550 0.131 0.000 0.275 543 Y C 2.022 177.959 175.900 0.063 0.000 1.183 543 Y CA -0.476 57.646 58.100 0.037 0.000 1.258 543 Y CB 0.588 39.109 38.460 0.102 0.000 1.108 543 Y HN 0.238 nan 8.280 nan 0.000 0.521 544 R N -0.004 120.592 120.500 0.159 0.000 2.193 544 R HA -0.137 4.283 4.340 0.133 0.000 0.229 544 R C 0.629 177.020 176.300 0.152 0.000 1.110 544 R CA 1.174 57.349 56.100 0.125 0.000 0.988 544 R CB -0.023 30.321 30.300 0.074 0.000 0.871 544 R HN 0.287 nan 8.270 nan 0.000 0.458 545 D N -0.288 120.229 120.400 0.195 0.000 2.340 545 D HA -0.007 4.712 4.640 0.133 0.000 0.220 545 D C 0.899 177.408 176.300 0.349 0.000 1.039 545 D CA 0.297 54.461 54.000 0.272 0.000 0.866 545 D CB -0.007 41.007 40.800 0.356 0.000 0.913 545 D HN 0.063 nan 8.370 nan 0.000 0.523 546 N N 0.808 119.720 118.700 0.352 0.000 2.205 546 N HA -0.112 4.707 4.740 0.133 0.000 0.186 546 N C -1.131 174.427 175.510 0.081 0.000 1.015 546 N CA 0.905 54.116 53.050 0.269 0.000 0.862 546 N CB -1.043 37.548 38.487 0.174 0.000 0.986 546 N HN 0.277 nan 8.380 nan 0.000 0.429 547 P HA -0.071 nan 4.420 nan 0.000 0.218 547 P C 1.409 178.723 177.300 0.023 0.000 1.149 547 P CA 0.794 63.912 63.100 0.029 0.000 0.817 547 P CB 0.068 31.792 31.700 0.039 0.000 0.785 548 L N -1.591 119.669 121.223 0.062 0.000 2.017 548 L HA -0.178 4.242 4.340 0.133 0.000 0.208 548 L C 2.340 179.200 176.870 -0.017 0.000 1.073 548 L CA 1.199 56.069 54.840 0.050 0.000 0.745 548 L CB -1.136 40.994 42.059 0.118 0.000 0.894 548 L HN 0.026 nan 8.230 nan 0.000 0.432 549 L N -0.352 120.815 121.223 -0.093 0.000 2.093 549 L HA -0.189 4.231 4.340 0.133 0.000 0.208 549 L C 2.423 179.210 176.870 -0.139 0.000 1.085 549 L CA 1.590 56.281 54.840 -0.249 0.000 0.755 549 L CB -0.401 41.234 42.059 -0.706 0.000 0.904 549 L HN 0.176 nan 8.230 nan 0.000 0.435 550 M N -1.148 118.382 119.600 -0.117 0.000 2.460 550 M HA -0.069 4.490 4.480 0.133 0.000 0.263 550 M C 1.719 177.986 176.300 -0.055 0.000 1.071 550 M CA 1.371 56.615 55.300 -0.094 0.000 1.096 550 M CB -0.390 32.154 32.600 -0.092 0.000 1.408 550 M HN 0.405 nan 8.290 nan 0.000 0.463 551 G N -0.478 108.301 108.800 -0.035 0.000 2.598 551 G HA2 -0.139 3.901 3.960 0.133 0.000 0.215 551 G HA3 -0.139 3.901 3.960 0.133 0.000 0.215 551 G C 1.118 176.013 174.900 -0.007 0.000 1.131 551 G CA 0.132 45.222 45.100 -0.017 0.000 0.785 551 G HN 0.555 nan 8.290 nan 0.000 0.539 552 Q N -0.496 119.309 119.800 0.008 0.000 2.319 552 Q HA 0.328 4.748 4.340 0.133 0.000 0.202 552 Q C 0.321 176.371 176.000 0.083 0.000 0.896 552 Q CA -0.282 55.553 55.803 0.054 0.000 0.942 552 Q CB 0.504 29.280 28.738 0.064 0.000 1.083 552 Q HN 0.364 nan 8.270 nan 0.000 0.510 553 L N 0.064 121.278 121.223 -0.016 0.000 2.399 553 L HA 0.175 4.594 4.340 0.133 0.000 0.265 553 L C 1.353 178.167 176.870 -0.092 0.000 1.089 553 L CA -0.757 53.998 54.840 -0.142 0.000 0.802 553 L CB 0.578 42.533 42.059 -0.172 0.000 1.180 553 L HN 0.153 nan 8.230 nan 0.000 0.454 554 H N 1.087 120.127 119.070 -0.050 0.000 2.428 554 H HA -0.101 4.534 4.556 0.132 0.000 0.296 554 H C 1.774 177.089 175.328 -0.022 0.000 1.062 554 H CA 1.190 57.237 56.048 -0.002 0.000 1.350 554 H CB 0.251 30.035 29.762 0.037 0.000 1.403 554 H HN 0.456 nan 8.280 nan 0.000 0.533 555 L N 0.983 122.245 121.223 0.065 0.000 2.103 555 L HA -0.228 4.191 4.340 0.133 0.000 0.215 555 L C 2.197 179.065 176.870 -0.002 0.000 1.080 555 L CA 1.571 56.412 54.840 0.002 0.000 0.764 555 L CB -0.743 41.281 42.059 -0.058 0.000 0.890 555 L HN 0.025 nan 8.230 nan 0.000 0.435 556 S N -0.842 114.856 115.700 -0.002 0.000 2.374 556 S HA -0.267 4.283 4.470 0.133 0.000 0.227 556 S C 1.828 176.436 174.600 0.013 0.000 1.037 556 S CA 1.732 59.930 58.200 -0.004 0.000 1.024 556 S CB -0.335 62.864 63.200 -0.002 0.000 0.861 556 S HN 0.585 nan 8.310 nan 0.000 0.456 557 Q N 0.220 120.046 119.800 0.044 0.000 2.269 557 Q HA 0.302 4.722 4.340 0.133 0.000 0.201 557 Q C 0.803 176.818 176.000 0.025 0.000 0.946 557 Q CA 0.473 56.302 55.803 0.044 0.000 0.877 557 Q CB -0.093 28.694 28.738 0.081 0.000 0.963 557 Q HN 0.540 nan 8.270 nan 0.000 0.472 558 I N 0.000 120.585 120.570 0.025 0.000 2.984 558 I HA 0.000 4.250 4.170 0.133 0.000 0.288 558 I CA 0.000 61.303 61.300 0.005 0.000 1.566 558 I CB 0.000 38.004 38.000 0.007 0.000 1.214 558 I HN 0.000 nan 8.210 nan 0.000 0.494