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 2c61_1_B DATA FIRST_RESID 13 DATA SEQUENCE GPLIFVEKTE PVGYNEIVNI KMGDGTVRRG QVLDSSADIV VVQVFXXXXX DATA SEQUENCE XXXXXXXIFT GETLKLPASV DLLGRILSGS GEPRDGGPRI VPDQLLDING DATA SEQUENCE AAMNPYARLP PKDFIQTGIS TIDGTNTLVR GQKLPIFSAS GLPHNEIALQ DATA SEQUENCE IARQASVPGS ESAFAVVFAA MGITNEEAQY FMSDFEKTGA LERAVVFLNL DATA SEQUENCE ADDPAVERIV TPRMALTAAE YLAYEHGMHV LVILTDITNY AEALRQMXXX DATA SEQUENCE XXXXXXXXGY PGYMYTDLAT LYERAGIVKG AKGSVTQIPI LSMPGDDITH DATA SEQUENCE PIPDLSGYIT EGQIVVAREL HRKGIYPPIN VLPSLSRLMN SGIGAGKTRE DATA SEQUENCE DHKAVSDQMY AGYAEGRDLR GLVAIVGKEA LSERDTKFLE FADLFEDKFV DATA SEQUENCE RQGRNENRTI EDTLEIGWQI LTHLPENQLG RIDNKYIQKY HPAHRKAK 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 13 G HA2 0.000 nan 3.960 nan 0.000 0.244 13 G HA3 0.000 3.981 3.960 0.034 0.000 0.244 13 G C 0.000 174.801 174.900 -0.165 0.000 0.946 13 G CA 0.000 45.069 45.100 -0.052 0.000 0.502 14 P HA 0.410 nan 4.420 nan 0.000 0.274 14 P C -0.184 176.990 177.300 -0.210 0.000 1.237 14 P CA -0.381 62.647 63.100 -0.120 0.000 0.793 14 P CB 1.223 32.889 31.700 -0.058 0.000 0.977 15 L N 2.213 123.311 121.223 -0.208 0.000 2.292 15 L HA 0.425 4.786 4.340 0.034 0.000 0.284 15 L C 0.348 176.990 176.870 -0.380 0.000 1.065 15 L CA -0.628 54.000 54.840 -0.353 0.000 0.806 15 L CB 0.468 42.314 42.059 -0.355 0.000 1.175 15 L HN 0.196 nan 8.230 nan 0.000 0.431 16 I N 2.938 123.220 120.570 -0.479 0.000 2.545 16 I HA 0.387 4.578 4.170 0.034 0.000 0.292 16 I C -0.465 175.350 176.117 -0.503 0.000 1.040 16 I CA -0.428 60.658 61.300 -0.357 0.000 1.068 16 I CB 1.925 39.816 38.000 -0.181 0.000 1.251 16 I HN 0.309 nan 8.210 nan 0.000 0.424 17 F N 4.817 124.756 119.950 -0.018 0.000 2.420 17 F HA 0.573 5.126 4.527 0.044 0.000 0.342 17 F C 0.337 176.133 175.800 -0.005 0.000 1.113 17 F CA -0.752 57.244 58.000 -0.008 0.000 1.059 17 F CB 1.646 40.647 39.000 0.001 0.000 1.128 17 F HN -0.010 nan 8.300 nan 0.000 0.475 18 V N 2.377 122.383 119.914 0.152 0.000 2.656 18 V HA 0.243 4.383 4.120 0.034 0.000 0.307 18 V C -0.262 175.900 176.094 0.114 0.000 1.051 18 V CA -1.177 61.184 62.300 0.102 0.000 0.893 18 V CB 1.918 33.788 31.823 0.078 0.000 0.999 18 V HN 0.738 nan 8.190 nan 0.000 0.426 19 E N 2.845 123.103 120.200 0.098 0.000 2.376 19 E HA 0.108 4.479 4.350 0.034 0.000 0.266 19 E C -0.242 176.419 176.600 0.102 0.000 1.009 19 E CA -0.537 55.915 56.400 0.086 0.000 0.902 19 E CB 0.660 30.401 29.700 0.067 0.000 0.972 19 E HN 0.504 nan 8.360 nan 0.000 0.439 20 K N 2.979 123.418 120.400 0.064 0.000 2.336 20 K HA 0.023 4.364 4.320 0.034 0.000 0.290 20 K C 0.449 177.073 176.600 0.041 0.000 1.067 20 K CA 0.515 56.822 56.287 0.033 0.000 0.962 20 K CB 0.303 32.798 32.500 -0.008 0.000 1.008 20 K HN 0.570 nan 8.250 nan 0.000 0.467 21 T N 0.136 114.737 114.554 0.079 0.000 2.955 21 T HA 0.252 4.622 4.350 0.034 0.000 0.251 21 T C -0.054 174.660 174.700 0.023 0.000 1.002 21 T CA -0.240 61.909 62.100 0.083 0.000 0.970 21 T CB 0.101 69.066 68.868 0.161 0.000 1.091 21 T HN 0.515 nan 8.240 nan 0.000 0.495 22 E N 1.420 121.555 120.200 -0.108 0.000 2.383 22 E HA 0.484 4.855 4.350 0.034 0.000 0.275 22 E C -3.068 173.314 176.600 -0.364 0.000 0.918 22 E CA -2.613 53.647 56.400 -0.234 0.000 0.764 22 E CB 2.149 31.679 29.700 -0.284 0.000 1.252 22 E HN 0.049 nan 8.360 nan 0.000 0.449 23 P HA -0.005 nan 4.420 nan 0.000 0.265 23 P C -0.893 176.210 177.300 -0.328 0.000 1.193 23 P CA -0.124 62.832 63.100 -0.240 0.000 0.765 23 P CB 0.426 32.033 31.700 -0.156 0.000 0.823 24 V N 0.301 120.040 119.914 -0.291 0.000 3.126 24 V HA 0.987 5.128 4.120 0.034 0.000 0.314 24 V C -0.007 175.965 176.094 -0.203 0.000 1.138 24 V CA -0.876 61.262 62.300 -0.270 0.000 1.034 24 V CB 1.900 33.558 31.823 -0.276 0.000 1.075 24 V HN 0.614 nan 8.190 nan 0.000 0.442 25 G N -0.659 108.050 108.800 -0.151 0.000 2.498 25 G HA2 0.618 4.598 3.960 0.034 0.000 0.312 25 G HA3 0.618 4.598 3.960 0.034 0.000 0.312 25 G C -1.365 173.473 174.900 -0.104 0.000 1.230 25 G CA -0.970 44.052 45.100 -0.129 0.000 0.968 25 G HN 0.722 nan 8.290 nan 0.000 0.481 26 Y N 0.286 120.575 120.300 -0.018 0.000 2.805 26 Y HA -0.044 4.527 4.550 0.034 0.000 0.337 26 Y C 1.593 177.493 175.900 0.000 0.000 1.252 26 Y CA 1.945 60.039 58.100 -0.009 0.000 1.515 26 Y CB 0.349 38.806 38.460 -0.006 0.000 1.305 26 Y HN 0.885 nan 8.280 nan 0.000 0.600 27 N N -1.097 117.708 118.700 0.175 0.000 2.900 27 N HA -0.284 4.477 4.740 0.034 0.000 0.240 27 N C -0.236 175.330 175.510 0.094 0.000 0.953 27 N CA 0.835 53.956 53.050 0.119 0.000 0.950 27 N CB -0.839 37.710 38.487 0.104 0.000 1.102 27 N HN 0.746 nan 8.380 nan 0.000 0.593 28 E N 1.427 121.668 120.200 0.068 0.000 2.415 28 E HA 0.036 4.407 4.350 0.034 0.000 0.263 28 E C -0.072 176.571 176.600 0.071 0.000 0.995 28 E CA -0.235 56.198 56.400 0.056 0.000 0.915 28 E CB 0.463 30.174 29.700 0.019 0.000 0.951 28 E HN 0.063 nan 8.360 nan 0.000 0.449 29 I N 6.061 126.688 120.570 0.095 0.000 2.416 29 I HA 0.092 4.282 4.170 0.034 0.000 0.288 29 I C 0.364 176.531 176.117 0.084 0.000 1.051 29 I CA -0.088 61.279 61.300 0.112 0.000 1.375 29 I CB 0.204 38.304 38.000 0.167 0.000 1.407 29 I HN 0.342 nan 8.210 nan 0.000 0.516 30 V N 4.585 124.518 119.914 0.032 0.000 3.078 30 V HA 0.682 4.823 4.120 0.034 0.000 0.311 30 V C -0.466 175.592 176.094 -0.060 0.000 1.138 30 V CA -1.004 61.322 62.300 0.044 0.000 1.007 30 V CB 2.497 34.407 31.823 0.144 0.000 1.045 30 V HN 0.630 nan 8.190 nan 0.000 0.432 31 N N 1.246 119.885 118.700 -0.103 0.000 2.466 31 N HA 0.747 5.508 4.740 0.034 0.000 0.294 31 N C -1.029 174.363 175.510 -0.195 0.000 1.129 31 N CA -0.360 52.605 53.050 -0.141 0.000 0.931 31 N CB 2.010 40.420 38.487 -0.128 0.000 1.193 31 N HN 0.791 nan 8.380 nan 0.000 0.500 32 I N 0.814 121.288 120.570 -0.160 0.000 2.466 32 I HA 0.241 4.431 4.170 0.034 0.000 0.289 32 I C 0.101 176.145 176.117 -0.121 0.000 1.026 32 I CA -0.752 60.458 61.300 -0.150 0.000 1.078 32 I CB 1.918 39.847 38.000 -0.118 0.000 1.249 32 I HN 0.051 nan 8.210 nan 0.000 0.429 33 K N 6.760 127.087 120.400 -0.121 0.000 2.349 33 K HA 0.399 4.739 4.320 0.034 0.000 0.288 33 K C -0.333 176.231 176.600 -0.060 0.000 1.058 33 K CA -0.368 55.866 56.287 -0.088 0.000 0.953 33 K CB 0.823 33.270 32.500 -0.088 0.000 0.997 33 K HN 0.443 nan 8.250 nan 0.000 0.477 34 M N 0.821 120.392 119.600 -0.048 0.000 2.371 34 M HA 0.129 4.629 4.480 0.034 0.000 0.301 34 M C 1.740 178.025 176.300 -0.025 0.000 1.173 34 M CA -0.140 55.140 55.300 -0.033 0.000 1.020 34 M CB 0.502 33.083 32.600 -0.031 0.000 1.490 34 M HN 0.791 nan 8.290 nan 0.000 0.485 35 G N 0.535 109.325 108.800 -0.016 0.000 2.470 35 G HA2 -0.184 3.797 3.960 0.034 0.000 0.220 35 G HA3 -0.184 3.797 3.960 0.034 0.000 0.220 35 G C 0.588 175.483 174.900 -0.009 0.000 1.121 35 G CA 0.830 45.924 45.100 -0.010 0.000 0.766 35 G HN 0.818 nan 8.290 nan 0.000 0.553 36 D N -1.386 119.007 120.400 -0.012 0.000 2.363 36 D HA 0.250 4.911 4.640 0.034 0.000 0.214 36 D C 1.603 177.895 176.300 -0.013 0.000 1.093 36 D CA 0.380 54.374 54.000 -0.010 0.000 0.837 36 D CB -0.332 40.462 40.800 -0.009 0.000 0.948 36 D HN 0.408 nan 8.370 nan 0.000 0.507 37 G N 0.304 109.092 108.800 -0.019 0.000 2.195 37 G HA2 -0.277 3.703 3.960 0.034 0.000 0.246 37 G HA3 -0.277 3.703 3.960 0.034 0.000 0.246 37 G C 0.560 175.444 174.900 -0.026 0.000 0.984 37 G CA 0.458 45.544 45.100 -0.022 0.000 0.633 37 G HN 0.778 nan 8.290 nan 0.000 0.525 38 T N -1.366 113.173 114.554 -0.026 0.000 2.816 38 T HA 0.732 5.103 4.350 0.034 0.000 0.282 38 T C 0.401 175.078 174.700 -0.039 0.000 0.993 38 T CA 0.085 62.168 62.100 -0.028 0.000 0.994 38 T CB 2.100 70.955 68.868 -0.022 0.000 1.025 38 T HN 1.690 nan 8.240 nan 0.000 0.529 39 V N -1.067 118.822 119.914 -0.042 0.000 2.823 39 V HA 0.778 4.919 4.120 0.034 0.000 0.312 39 V C -0.492 175.570 176.094 -0.053 0.000 1.072 39 V CA -1.433 60.833 62.300 -0.057 0.000 0.937 39 V CB 1.549 33.331 31.823 -0.069 0.000 1.013 39 V HN 1.008 nan 8.190 nan 0.000 0.430 40 R N 1.731 122.189 120.500 -0.071 0.000 2.732 40 R HA 0.684 5.045 4.340 0.034 0.000 0.278 40 R C -0.537 175.695 176.300 -0.114 0.000 0.976 40 R CA -0.833 55.220 56.100 -0.078 0.000 0.963 40 R CB 2.367 32.615 30.300 -0.086 0.000 1.150 40 R HN 0.852 nan 8.270 nan 0.000 0.478 41 R N 0.303 120.727 120.500 -0.127 0.000 2.532 41 R HA 0.599 4.959 4.340 0.034 0.000 0.295 41 R C -0.670 175.302 176.300 -0.547 0.000 0.968 41 R CA -0.302 55.676 56.100 -0.203 0.000 0.916 41 R CB 1.640 31.924 30.300 -0.025 0.000 1.124 41 R HN 0.823 nan 8.270 nan 0.000 0.463 42 G N 1.233 109.636 108.800 -0.662 0.000 2.782 42 G HA2 0.239 4.220 3.960 0.034 0.000 0.304 42 G HA3 0.239 4.220 3.960 0.034 0.000 0.304 42 G C -1.865 172.645 174.900 -0.648 0.000 1.315 42 G CA -0.492 44.018 45.100 -0.983 0.000 0.791 42 G HN 0.501 nan 8.290 nan 0.000 0.519 43 Q N -0.206 119.350 119.800 -0.406 0.000 2.323 43 Q HA 0.542 4.903 4.340 0.034 0.000 0.271 43 Q C -1.029 174.930 176.000 -0.069 0.000 1.048 43 Q CA -0.651 55.101 55.803 -0.086 0.000 0.792 43 Q CB 2.602 31.417 28.738 0.129 0.000 1.280 43 Q HN 0.406 nan 8.270 nan 0.000 0.441 44 V N 5.526 125.427 119.914 -0.022 0.000 2.450 44 V HA -0.063 4.077 4.120 0.034 0.000 0.281 44 V C 0.862 176.966 176.094 0.016 0.000 1.019 44 V CA 0.416 62.700 62.300 -0.028 0.000 1.062 44 V CB 0.636 32.435 31.823 -0.039 0.000 0.979 44 V HN 0.814 nan 8.190 nan 0.000 0.477 45 L N 3.626 124.844 121.223 -0.009 0.000 2.221 45 L HA 0.454 4.815 4.340 0.034 0.000 0.202 45 L C 0.606 177.555 176.870 0.132 0.000 1.074 45 L CA 1.557 56.423 54.840 0.043 0.000 0.795 45 L CB 0.200 42.235 42.059 -0.040 0.000 0.960 45 L HN 0.794 nan 8.230 nan 0.000 0.458 46 D N -2.469 117.961 120.400 0.051 0.000 2.738 46 D HA 0.451 5.112 4.640 0.034 0.000 0.308 46 D C -1.711 174.571 176.300 -0.030 0.000 1.311 46 D CA -0.116 53.922 54.000 0.063 0.000 0.799 46 D CB 1.742 42.612 40.800 0.117 0.000 1.332 46 D HN -0.069 nan 8.370 nan 0.000 0.441 47 S N -0.635 115.044 115.700 -0.036 0.000 2.558 47 S HA 0.579 5.069 4.470 0.034 0.000 0.277 47 S C -0.909 173.684 174.600 -0.013 0.000 1.143 47 S CA -0.201 57.975 58.200 -0.039 0.000 0.865 47 S CB 0.812 63.942 63.200 -0.118 0.000 1.102 47 S HN 0.539 nan 8.310 nan 0.000 0.454 48 S N 2.397 118.103 115.700 0.010 0.000 2.690 48 S HA 0.786 5.277 4.470 0.034 0.000 0.285 48 S C 1.541 176.135 174.600 -0.010 0.000 1.135 48 S CA -0.070 58.136 58.200 0.009 0.000 1.020 48 S CB 0.569 63.786 63.200 0.027 0.000 1.159 48 S HN 1.372 nan 8.310 nan 0.000 0.534 49 A N 0.011 122.827 122.820 -0.006 0.000 2.019 49 A HA 0.002 4.343 4.320 0.034 0.000 0.219 49 A C 1.456 179.033 177.584 -0.011 0.000 1.164 49 A CA 1.557 53.585 52.037 -0.014 0.000 0.644 49 A CB -0.729 18.266 19.000 -0.008 0.000 0.805 49 A HN 0.837 nan 8.150 nan 0.000 0.449 50 D N -1.741 118.661 120.400 0.004 0.000 2.479 50 D HA 0.276 4.937 4.640 0.034 0.000 0.216 50 D C -0.229 176.089 176.300 0.029 0.000 1.110 50 D CA 0.246 54.254 54.000 0.013 0.000 0.841 50 D CB 0.762 41.572 40.800 0.016 0.000 1.040 50 D HN 0.369 nan 8.370 nan 0.000 0.505 51 I N 1.649 122.242 120.570 0.039 0.000 2.478 51 I HA 0.208 4.399 4.170 0.034 0.000 0.287 51 I C -0.550 175.614 176.117 0.079 0.000 1.042 51 I CA -0.845 60.502 61.300 0.078 0.000 1.067 51 I CB 2.890 40.949 38.000 0.098 0.000 1.233 51 I HN -0.399 nan 8.210 nan 0.000 0.431 52 V N 6.689 126.652 119.914 0.082 0.000 2.481 52 V HA 0.371 4.512 4.120 0.034 0.000 0.286 52 V C 0.023 176.139 176.094 0.036 0.000 1.042 52 V CA -0.692 61.630 62.300 0.037 0.000 0.928 52 V CB 1.912 33.748 31.823 0.021 0.000 0.986 52 V HN 0.400 nan 8.190 nan 0.000 0.462 53 V N 5.616 125.516 119.914 -0.023 0.000 2.347 53 V HA 0.422 4.562 4.120 0.034 0.000 0.280 53 V C -0.108 175.870 176.094 -0.193 0.000 1.021 53 V CA -0.483 61.718 62.300 -0.165 0.000 0.847 53 V CB 1.520 33.280 31.823 -0.104 0.000 0.990 53 V HN 0.604 nan 8.190 nan 0.000 0.444 54 V N 5.026 124.777 119.914 -0.273 0.000 2.459 54 V HA 0.385 4.526 4.120 0.034 0.000 0.295 54 V C -0.017 175.907 176.094 -0.283 0.000 1.029 54 V CA -0.647 61.517 62.300 -0.226 0.000 0.874 54 V CB 1.796 33.505 31.823 -0.191 0.000 0.985 54 V HN 0.858 nan 8.190 nan 0.000 0.438 55 Q N 2.769 122.420 119.800 -0.247 0.000 2.322 55 Q HA 0.434 4.795 4.340 0.034 0.000 0.256 55 Q C -0.770 175.048 176.000 -0.302 0.000 0.960 55 Q CA -0.408 55.241 55.803 -0.258 0.000 0.934 55 Q CB 1.979 30.596 28.738 -0.201 0.000 1.200 55 Q HN 0.603 nan 8.270 nan 0.000 0.435 56 V N 5.258 125.007 119.914 -0.275 0.000 2.583 56 V HA 0.284 4.424 4.120 0.034 0.000 0.287 56 V C -0.142 175.836 176.094 -0.193 0.000 1.051 56 V CA -0.004 62.109 62.300 -0.312 0.000 1.010 56 V CB -0.121 31.583 31.823 -0.198 0.000 0.988 56 V HN 0.554 nan 8.190 nan 0.000 0.478 71 F N 6.481 126.425 119.950 -0.011 0.000 2.538 71 F HA 0.353 4.900 4.527 0.033 0.000 0.371 71 F C -0.048 175.738 175.800 -0.023 0.000 1.087 71 F CA 0.645 58.635 58.000 -0.018 0.000 1.250 71 F CB 0.837 39.823 39.000 -0.023 0.000 1.110 71 F HN 0.382 nan 8.300 nan 0.000 0.570 72 T N 5.817 119.924 114.554 -0.745 0.000 2.788 72 T HA 0.456 4.826 4.350 0.034 0.000 0.296 72 T C 0.285 174.308 174.700 -1.129 0.000 1.009 72 T CA -0.458 61.217 62.100 -0.708 0.000 0.949 72 T CB 0.903 69.569 68.868 -0.337 0.000 0.946 72 T HN 0.855 nan 8.240 nan 0.000 0.453 73 G N 2.102 110.298 108.800 -1.006 0.000 2.462 73 G HA2 0.578 4.558 3.960 0.034 0.000 0.319 73 G HA3 0.578 4.558 3.960 0.034 0.000 0.319 73 G C -0.530 174.222 174.900 -0.248 0.000 1.171 73 G CA -0.657 44.053 45.100 -0.650 0.000 0.920 73 G HN 0.505 nan 8.290 nan 0.000 0.499 74 E N 0.606 120.749 120.200 -0.096 0.000 2.231 74 E HA 0.273 4.644 4.350 0.034 0.000 0.277 74 E C 0.521 177.120 176.600 -0.002 0.000 0.999 74 E CA -0.347 56.027 56.400 -0.043 0.000 0.827 74 E CB 1.339 31.034 29.700 -0.009 0.000 1.101 74 E HN 0.599 nan 8.360 nan 0.000 0.393 75 T N -0.429 114.123 114.554 -0.003 0.000 2.932 75 T HA 0.144 4.515 4.350 0.034 0.000 0.312 75 T C 0.564 175.290 174.700 0.044 0.000 1.071 75 T CA -0.789 61.326 62.100 0.026 0.000 1.128 75 T CB 0.492 69.373 68.868 0.020 0.000 0.984 75 T HN 0.265 nan 8.240 nan 0.000 0.549 76 L N 1.993 123.261 121.223 0.076 0.000 2.453 76 L HA 0.314 4.675 4.340 0.034 0.000 0.272 76 L C 0.241 177.132 176.870 0.035 0.000 1.182 76 L CA 0.735 55.614 54.840 0.065 0.000 0.858 76 L CB 0.004 42.118 42.059 0.092 0.000 1.120 76 L HN 0.686 nan 8.230 nan 0.000 0.474 77 K N 4.783 125.194 120.400 0.019 0.000 2.316 77 K HA 0.459 4.799 4.320 0.034 0.000 0.251 77 K C -1.351 175.246 176.600 -0.004 0.000 0.934 77 K CA -1.052 55.237 56.287 0.004 0.000 0.802 77 K CB 2.187 34.688 32.500 0.001 0.000 1.171 77 K HN 0.459 nan 8.250 nan 0.000 0.426 78 L N 4.640 125.854 121.223 -0.015 0.000 2.276 78 L HA 0.297 4.658 4.340 0.034 0.000 0.286 78 L C -2.342 174.501 176.870 -0.045 0.000 1.061 78 L CA -1.640 53.192 54.840 -0.013 0.000 0.807 78 L CB 0.657 42.708 42.059 -0.012 0.000 1.177 78 L HN 0.392 nan 8.230 nan 0.000 0.429 79 P HA 0.134 nan 4.420 nan 0.000 0.268 79 P C -1.114 176.107 177.300 -0.132 0.000 1.282 79 P CA -0.059 63.000 63.100 -0.068 0.000 0.880 79 P CB 0.499 32.176 31.700 -0.038 0.000 0.971 80 A N 3.069 125.740 122.820 -0.250 0.000 2.290 80 A HA 0.637 4.978 4.320 0.034 0.000 0.310 80 A C 0.159 177.447 177.584 -0.494 0.000 1.202 80 A CA -0.400 51.310 52.037 -0.545 0.000 0.837 80 A CB 0.647 19.060 19.000 -0.979 0.000 1.139 80 A HN 0.483 nan 8.150 nan 0.000 0.509 81 S N 0.986 116.485 115.700 -0.335 0.000 2.552 81 S HA 0.338 4.828 4.470 0.034 0.000 0.272 81 S C 0.689 175.374 174.600 0.142 0.000 1.150 81 S CA 0.016 58.215 58.200 -0.002 0.000 0.849 81 S CB 0.944 64.132 63.200 -0.021 0.000 1.113 81 S HN 1.768 nan 8.310 nan 0.000 0.458 82 V N 0.438 120.422 119.914 0.116 0.000 2.688 82 V HA 0.013 4.154 4.120 0.034 0.000 0.256 82 V C 1.295 177.364 176.094 -0.041 0.000 1.084 82 V CA 2.009 64.267 62.300 -0.070 0.000 1.103 82 V CB -0.754 30.908 31.823 -0.270 0.000 0.688 82 V HN 0.789 nan 8.190 nan 0.000 0.480 83 D N 0.323 120.710 120.400 -0.021 0.000 2.378 83 D HA 0.080 4.741 4.640 0.034 0.000 0.227 83 D C 1.923 178.196 176.300 -0.045 0.000 1.012 83 D CA 0.601 54.581 54.000 -0.033 0.000 0.905 83 D CB 0.044 40.827 40.800 -0.027 0.000 0.895 83 D HN 0.466 nan 8.370 nan 0.000 0.532 84 L N 0.042 121.243 121.223 -0.037 0.000 2.131 84 L HA -0.096 4.265 4.340 0.034 0.000 0.210 84 L C 0.982 177.804 176.870 -0.081 0.000 1.092 84 L CA 0.504 55.308 54.840 -0.061 0.000 0.759 84 L CB -0.236 41.814 42.059 -0.016 0.000 0.903 84 L HN -0.007 nan 8.230 nan 0.000 0.435 85 L N 0.202 121.391 121.223 -0.056 0.000 2.499 85 L HA 0.102 4.462 4.340 0.034 0.000 0.273 85 L C 1.312 178.141 176.870 -0.069 0.000 1.195 85 L CA 0.673 55.476 54.840 -0.061 0.000 0.882 85 L CB 0.221 42.251 42.059 -0.048 0.000 1.133 85 L HN 0.347 nan 8.230 nan 0.000 0.483 86 G N 1.849 110.600 108.800 -0.081 0.000 2.175 86 G HA2 -0.197 3.784 3.960 0.034 0.000 0.244 86 G HA3 -0.197 3.784 3.960 0.034 0.000 0.244 86 G C 0.237 175.072 174.900 -0.108 0.000 0.982 86 G CA -0.500 44.554 45.100 -0.077 0.000 0.641 86 G HN 0.455 nan 8.290 nan 0.000 0.527 87 R N -0.141 120.269 120.500 -0.151 0.000 2.604 87 R HA 0.753 5.113 4.340 0.034 0.000 0.287 87 R C 0.049 176.199 176.300 -0.250 0.000 0.970 87 R CA -0.905 55.089 56.100 -0.176 0.000 0.946 87 R CB 1.074 31.270 30.300 -0.173 0.000 1.127 87 R HN 0.295 nan 8.270 nan 0.000 0.473 88 I N 3.861 124.302 120.570 -0.215 0.000 2.389 88 I HA 0.382 4.573 4.170 0.034 0.000 0.288 88 I C -0.181 175.814 176.117 -0.203 0.000 0.999 88 I CA -0.439 60.722 61.300 -0.231 0.000 1.129 88 I CB 1.117 39.024 38.000 -0.156 0.000 1.288 88 I HN 0.178 nan 8.210 nan 0.000 0.444 89 L N 4.301 125.361 121.223 -0.271 0.000 2.301 89 L HA 0.585 4.945 4.340 0.034 0.000 0.264 89 L C 0.492 177.333 176.870 -0.049 0.000 1.016 89 L CA -0.778 53.946 54.840 -0.193 0.000 0.821 89 L CB 2.084 43.942 42.059 -0.336 0.000 1.346 89 L HN 0.640 nan 8.230 nan 0.000 0.429 90 S N -0.470 115.250 115.700 0.032 0.000 2.641 90 S HA 0.210 4.700 4.470 0.034 0.000 0.261 90 S C 1.184 175.902 174.600 0.197 0.000 1.257 90 S CA 0.003 58.258 58.200 0.092 0.000 0.983 90 S CB 1.069 64.306 63.200 0.062 0.000 0.990 90 S HN 0.802 nan 8.310 nan 0.000 0.572 91 G N 0.343 109.234 108.800 0.151 0.000 2.462 91 G HA2 -0.147 3.834 3.960 0.034 0.000 0.220 91 G HA3 -0.147 3.834 3.960 0.034 0.000 0.220 91 G C 1.359 176.306 174.900 0.079 0.000 1.121 91 G CA 0.891 46.066 45.100 0.124 0.000 0.758 91 G HN 1.103 nan 8.290 nan 0.000 0.559 92 S N -1.056 114.692 115.700 0.080 0.000 2.575 92 S HA 0.409 4.900 4.470 0.034 0.000 0.215 92 S C 1.720 176.377 174.600 0.096 0.000 0.966 92 S CA 0.845 59.074 58.200 0.048 0.000 0.911 92 S CB 0.162 63.378 63.200 0.027 0.000 0.780 92 S HN 1.471 nan 8.310 nan 0.000 0.514 93 G N 0.774 109.691 108.800 0.196 0.000 2.176 93 G HA2 -0.202 3.778 3.960 0.034 0.000 0.253 93 G HA3 -0.202 3.778 3.960 0.034 0.000 0.253 93 G C -0.209 174.733 174.900 0.071 0.000 0.979 93 G CA 0.008 45.236 45.100 0.213 0.000 0.641 93 G HN 0.514 nan 8.290 nan 0.000 0.530 94 E N 1.124 121.353 120.200 0.048 0.000 2.366 94 E HA 0.368 4.738 4.350 0.034 0.000 0.266 94 E C -2.300 174.292 176.600 -0.014 0.000 1.051 94 E CA -1.902 54.506 56.400 0.012 0.000 0.884 94 E CB 0.643 30.352 29.700 0.015 0.000 1.006 94 E HN 0.169 nan 8.360 nan 0.000 0.417 95 P HA 0.101 nan 4.420 nan 0.000 0.268 95 P C 0.341 177.620 177.300 -0.034 0.000 1.204 95 P CA 0.069 63.142 63.100 -0.045 0.000 0.768 95 P CB 0.593 32.269 31.700 -0.040 0.000 0.842 96 R N 2.040 122.513 120.500 -0.046 0.000 2.535 96 R HA 0.084 4.445 4.340 0.034 0.000 0.323 96 R C -0.048 176.233 176.300 -0.033 0.000 0.979 96 R CA 0.313 56.395 56.100 -0.029 0.000 1.120 96 R CB 0.260 30.547 30.300 -0.022 0.000 1.306 96 R HN 0.541 nan 8.270 nan 0.000 0.540 97 D N -1.274 119.100 120.400 -0.044 0.000 2.431 97 D HA 0.127 4.788 4.640 0.034 0.000 0.213 97 D C 1.110 177.392 176.300 -0.031 0.000 1.130 97 D CA 0.402 54.378 54.000 -0.041 0.000 0.834 97 D CB 0.424 41.189 40.800 -0.059 0.000 0.985 97 D HN 0.137 nan 8.370 nan 0.000 0.504 98 G N -0.567 108.217 108.800 -0.026 0.000 2.184 98 G HA2 -0.174 3.807 3.960 0.034 0.000 0.264 98 G HA3 -0.174 3.807 3.960 0.034 0.000 0.264 98 G C 0.669 175.555 174.900 -0.023 0.000 0.975 98 G CA 0.099 45.186 45.100 -0.020 0.000 0.642 98 G HN 0.805 nan 8.290 nan 0.000 0.536 99 G N 0.086 108.869 108.800 -0.030 0.000 2.557 99 G HA2 0.715 4.695 3.960 0.034 0.000 0.292 99 G HA3 0.715 4.695 3.960 0.034 0.000 0.292 99 G C -1.475 173.408 174.900 -0.029 0.000 1.237 99 G CA -0.409 44.673 45.100 -0.031 0.000 0.978 99 G HN 0.306 nan 8.290 nan 0.000 0.498 100 P HA 0.211 nan 4.420 nan 0.000 0.274 100 P C -0.173 177.110 177.300 -0.028 0.000 1.237 100 P CA -0.453 62.633 63.100 -0.023 0.000 0.793 100 P CB 0.889 32.576 31.700 -0.020 0.000 0.977 101 R N 1.000 121.486 120.500 -0.023 0.000 2.698 101 R HA 0.155 4.516 4.340 0.034 0.000 0.266 101 R C 0.551 176.835 176.300 -0.028 0.000 1.026 101 R CA -0.468 55.617 56.100 -0.024 0.000 1.102 101 R CB 0.017 30.308 30.300 -0.016 0.000 0.978 101 R HN 0.441 nan 8.270 nan 0.000 0.436 102 I N 2.819 123.370 120.570 -0.033 0.000 2.683 102 I HA -0.064 4.127 4.170 0.034 0.000 0.286 102 I C 0.570 176.669 176.117 -0.030 0.000 1.175 102 I CA 0.334 61.611 61.300 -0.037 0.000 1.429 102 I CB 0.157 38.129 38.000 -0.046 0.000 1.371 102 I HN 0.234 nan 8.210 nan 0.000 0.569 103 V N 9.168 129.066 119.914 -0.027 0.000 2.353 103 V HA 0.190 4.330 4.120 0.034 0.000 0.264 103 V C -1.770 174.309 176.094 -0.025 0.000 1.049 103 V CA -1.343 60.945 62.300 -0.021 0.000 0.896 103 V CB 0.637 32.452 31.823 -0.014 0.000 1.025 103 V HN 0.646 nan 8.190 nan 0.000 0.475 104 P HA 0.197 nan 4.420 nan 0.000 0.280 104 P C 0.249 177.535 177.300 -0.023 0.000 1.244 104 P CA -0.170 62.902 63.100 -0.047 0.000 0.784 104 P CB 1.594 33.263 31.700 -0.052 0.000 0.913 105 D N 2.320 122.709 120.400 -0.018 0.000 2.117 105 D HA -0.122 4.538 4.640 0.034 0.000 0.198 105 D C 0.418 176.731 176.300 0.021 0.000 0.982 105 D CA 1.585 55.608 54.000 0.040 0.000 0.828 105 D CB 0.482 41.371 40.800 0.148 0.000 0.967 105 D HN 0.613 nan 8.370 nan 0.000 0.464 106 Q N -1.187 118.590 119.800 -0.039 0.000 2.575 106 Q HA 0.375 4.735 4.340 0.034 0.000 0.290 106 Q C -1.481 174.477 176.000 -0.071 0.000 0.963 106 Q CA -0.925 54.861 55.803 -0.029 0.000 0.783 106 Q CB 0.954 29.705 28.738 0.023 0.000 1.467 106 Q HN 0.033 nan 8.270 nan 0.000 0.402 107 L N 1.973 123.174 121.223 -0.037 0.000 2.265 107 L HA 0.493 4.854 4.340 0.034 0.000 0.289 107 L C -0.843 176.013 176.870 -0.024 0.000 1.033 107 L CA -0.496 54.322 54.840 -0.036 0.000 0.814 107 L CB 0.996 43.044 42.059 -0.019 0.000 1.203 107 L HN 0.427 nan 8.230 nan 0.000 0.423 108 L N 2.773 123.976 121.223 -0.033 0.000 2.313 108 L HA 0.324 4.684 4.340 0.034 0.000 0.283 108 L C -0.126 176.742 176.870 -0.003 0.000 1.013 108 L CA -0.842 53.993 54.840 -0.010 0.000 0.816 108 L CB 1.813 43.867 42.059 -0.008 0.000 1.236 108 L HN 0.507 nan 8.230 nan 0.000 0.419 109 D N 3.400 123.804 120.400 0.007 0.000 2.472 109 D HA -0.044 4.617 4.640 0.034 0.000 0.248 109 D C 1.070 177.378 176.300 0.013 0.000 1.174 109 D CA 0.109 54.117 54.000 0.013 0.000 0.883 109 D CB 0.836 41.644 40.800 0.013 0.000 1.149 109 D HN 0.499 nan 8.370 nan 0.000 0.488 110 I N 0.808 121.386 120.570 0.013 0.000 3.428 110 I HA 0.027 4.217 4.170 0.034 0.000 0.286 110 I C 0.983 177.114 176.117 0.023 0.000 1.287 110 I CA 0.039 61.334 61.300 -0.007 0.000 1.396 110 I CB -0.177 37.790 38.000 -0.055 0.000 1.062 110 I HN 0.181 nan 8.210 nan 0.000 0.471 111 N N 2.107 120.845 118.700 0.064 0.000 2.494 111 N HA 0.008 4.769 4.740 0.034 0.000 0.182 111 N C 1.544 177.085 175.510 0.052 0.000 1.076 111 N CA 1.260 54.367 53.050 0.094 0.000 0.908 111 N CB 0.394 38.942 38.487 0.102 0.000 0.967 111 N HN 0.696 nan 8.380 nan 0.000 0.449 112 G N -0.054 108.766 108.800 0.033 0.000 2.176 112 G HA2 -0.261 3.719 3.960 0.034 0.000 0.232 112 G HA3 -0.261 3.719 3.960 0.034 0.000 0.232 112 G C 0.801 175.711 174.900 0.017 0.000 0.986 112 G CA 0.318 45.435 45.100 0.028 0.000 0.643 112 G HN 0.528 nan 8.290 nan 0.000 0.522 113 A N -0.265 122.562 122.820 0.011 0.000 2.169 113 A HA 0.769 5.110 4.320 0.034 0.000 0.210 113 A C 2.390 179.970 177.584 -0.006 0.000 1.168 113 A CA 1.510 53.548 52.037 0.001 0.000 0.813 113 A CB -0.212 18.787 19.000 -0.002 0.000 0.861 113 A HN 1.582 nan 8.150 nan 0.000 0.481 114 A N -0.942 121.877 122.820 -0.003 0.000 2.067 114 A HA 0.443 4.784 4.320 0.034 0.000 0.217 114 A C 0.953 178.532 177.584 -0.008 0.000 1.156 114 A CA 1.148 53.183 52.037 -0.003 0.000 0.683 114 A CB -0.221 18.782 19.000 0.005 0.000 0.808 114 A HN 0.612 nan 8.150 nan 0.000 0.455 115 M N -0.023 119.563 119.600 -0.023 0.000 2.224 115 M HA 0.389 4.890 4.480 0.034 0.000 0.281 115 M C -2.034 174.193 176.300 -0.122 0.000 1.025 115 M CA -0.630 54.634 55.300 -0.059 0.000 0.954 115 M CB 1.615 34.197 32.600 -0.029 0.000 1.639 115 M HN 0.057 nan 8.290 nan 0.000 0.461 116 N N 6.576 125.181 118.700 -0.158 0.000 2.589 116 N HA 0.425 5.186 4.740 0.034 0.000 0.232 116 N C -2.127 173.140 175.510 -0.405 0.000 1.015 116 N CA -1.843 51.093 53.050 -0.189 0.000 0.931 116 N CB 1.265 39.706 38.487 -0.077 0.000 1.150 116 N HN 0.495 nan 8.380 nan 0.000 0.512 117 P HA 0.028 nan 4.420 nan 0.000 0.240 117 P C -0.405 176.470 177.300 -0.709 0.000 1.190 117 P CA 0.299 62.794 63.100 -1.008 0.000 0.781 117 P CB 0.144 31.270 31.700 -0.956 0.000 0.931 118 Y N 1.027 121.216 120.300 -0.184 0.000 2.319 118 Y HA 0.409 4.970 4.550 0.018 0.000 0.328 118 Y C 1.305 177.170 175.900 -0.058 0.000 1.133 118 Y CA -1.071 56.979 58.100 -0.084 0.000 1.265 118 Y CB 0.595 39.027 38.460 -0.047 0.000 1.218 118 Y HN -0.050 nan 8.280 nan 0.000 0.508 119 A N 3.503 126.411 122.820 0.148 0.000 2.302 119 A HA 0.414 4.754 4.320 0.034 0.000 0.285 119 A C 0.295 177.933 177.584 0.090 0.000 1.105 119 A CA -0.900 51.194 52.037 0.095 0.000 0.816 119 A CB 0.392 19.448 19.000 0.092 0.000 1.067 119 A HN 0.903 nan 8.150 nan 0.000 0.489 120 R N 1.574 122.110 120.500 0.061 0.000 3.688 120 R HA 0.398 4.759 4.340 0.034 0.000 0.194 120 R C -1.342 174.984 176.300 0.044 0.000 1.677 120 R CA 0.241 56.368 56.100 0.046 0.000 1.351 120 R CB -0.844 29.476 30.300 0.033 0.000 1.338 120 R HN 0.631 nan 8.270 nan 0.000 0.731 121 L N 3.220 124.474 121.223 0.052 0.000 2.445 121 L HA 0.567 4.928 4.340 0.034 0.000 0.262 121 L C -2.122 174.775 176.870 0.045 0.000 0.974 121 L CA -2.289 52.582 54.840 0.051 0.000 0.822 121 L CB 2.627 44.725 42.059 0.066 0.000 1.339 121 L HN 0.396 nan 8.230 nan 0.000 0.409 122 P HA 0.349 nan 4.420 nan 0.000 0.277 122 P C -2.717 174.606 177.300 0.039 0.000 1.240 122 P CA -1.599 61.518 63.100 0.029 0.000 0.798 122 P CB 0.079 31.791 31.700 0.020 0.000 0.979 123 P HA 0.119 nan 4.420 nan 0.000 0.266 123 P C -0.277 177.044 177.300 0.037 0.000 1.195 123 P CA 0.462 63.587 63.100 0.042 0.000 0.768 123 P CB 0.259 31.979 31.700 0.034 0.000 0.838 124 K N 0.446 120.870 120.400 0.040 0.000 2.607 124 K HA 0.596 4.937 4.320 0.034 0.000 0.287 124 K C -1.626 174.991 176.600 0.028 0.000 0.996 124 K CA -0.980 55.327 56.287 0.034 0.000 0.876 124 K CB 1.263 33.785 32.500 0.036 0.000 1.496 124 K HN 0.272 nan 8.250 nan 0.000 0.415 125 D N -0.642 119.781 120.400 0.039 0.000 10.806 125 D HA -0.212 4.449 4.640 0.034 0.000 0.351 125 D C -1.255 175.107 176.300 0.104 0.000 3.130 125 D CA 0.398 54.432 54.000 0.057 0.000 2.646 125 D CB -0.294 40.520 40.800 0.023 0.000 1.204 125 D HN 0.458 nan 8.370 nan 0.000 0.941 126 F N 1.058 120.974 119.950 -0.057 0.000 2.396 126 F HA 0.541 5.090 4.527 0.038 0.000 0.343 126 F C 0.237 175.990 175.800 -0.078 0.000 1.104 126 F CA -0.738 57.233 58.000 -0.048 0.000 1.161 126 F CB 0.431 39.416 39.000 -0.024 0.000 1.146 126 F HN 0.253 nan 8.300 nan 0.000 0.522 127 I N 5.903 126.245 120.570 -0.380 0.000 2.355 127 I HA 0.198 4.388 4.170 0.034 0.000 0.288 127 I C -0.421 175.055 176.117 -1.068 0.000 0.999 127 I CA -0.666 60.272 61.300 -0.604 0.000 1.163 127 I CB 1.495 39.361 38.000 -0.225 0.000 1.316 127 I HN 0.526 nan 8.210 nan 0.000 0.454 128 Q N 4.352 123.391 119.800 -1.267 0.000 2.337 128 Q HA 0.123 4.483 4.340 0.034 0.000 0.255 128 Q C 1.018 176.780 176.000 -0.396 0.000 0.997 128 Q CA -0.232 55.023 55.803 -0.913 0.000 0.925 128 Q CB 1.040 29.405 28.738 -0.622 0.000 1.212 128 Q HN 0.837 nan 8.270 nan 0.000 0.436 129 T N 0.265 114.694 114.554 -0.207 0.000 3.067 129 T HA 0.165 4.536 4.350 0.034 0.000 0.257 129 T C 1.291 175.943 174.700 -0.080 0.000 1.105 129 T CA 0.551 62.589 62.100 -0.103 0.000 1.104 129 T CB 0.062 68.906 68.868 -0.041 0.000 0.925 129 T HN 0.909 nan 8.240 nan 0.000 0.498 130 G N 1.340 110.095 108.800 -0.075 0.000 2.162 130 G HA2 -0.213 3.767 3.960 0.034 0.000 0.260 130 G HA3 -0.213 3.767 3.960 0.034 0.000 0.260 130 G C 0.016 174.867 174.900 -0.081 0.000 0.976 130 G CA 0.256 45.317 45.100 -0.066 0.000 0.655 130 G HN 0.661 nan 8.290 nan 0.000 0.533 131 I N 1.360 121.881 120.570 -0.080 0.000 2.330 131 I HA 0.260 4.451 4.170 0.034 0.000 0.289 131 I C 1.586 177.608 176.117 -0.157 0.000 1.001 131 I CA -0.453 60.773 61.300 -0.124 0.000 1.193 131 I CB 1.646 39.588 38.000 -0.097 0.000 1.345 131 I HN 0.018 nan 8.210 nan 0.000 0.461 132 S N 2.575 118.083 115.700 -0.321 0.000 2.370 132 S HA -0.169 4.322 4.470 0.034 0.000 0.226 132 S C 1.945 176.393 174.600 -0.253 0.000 1.033 132 S CA 2.097 59.993 58.200 -0.508 0.000 1.011 132 S CB -0.259 62.173 63.200 -1.280 0.000 0.852 132 S HN 0.874 nan 8.310 nan 0.000 0.457 133 T N -0.097 114.355 114.554 -0.170 0.000 3.113 133 T HA 0.210 4.580 4.350 0.034 0.000 0.263 133 T C 1.436 176.212 174.700 0.126 0.000 1.143 133 T CA 0.508 62.673 62.100 0.109 0.000 1.090 133 T CB -0.380 68.518 68.868 0.050 0.000 0.922 133 T HN 0.345 nan 8.240 nan 0.000 0.521 134 I N 0.807 121.419 120.570 0.070 0.000 2.962 134 I HA 0.096 4.286 4.170 0.034 0.000 0.246 134 I C 2.084 178.297 176.117 0.160 0.000 1.091 134 I CA 0.330 61.691 61.300 0.102 0.000 1.469 134 I CB -0.024 38.012 38.000 0.060 0.000 1.324 134 I HN 0.000 nan 8.210 nan 0.000 0.461 135 D N 1.455 121.952 120.400 0.162 0.000 2.149 135 D HA -0.143 4.518 4.640 0.034 0.000 0.198 135 D C 2.064 178.545 176.300 0.302 0.000 0.990 135 D CA 1.697 55.870 54.000 0.289 0.000 0.839 135 D CB -0.536 40.433 40.800 0.282 0.000 0.948 135 D HN 0.428 nan 8.370 nan 0.000 0.460 136 G N -0.034 108.917 108.800 0.251 0.000 2.404 136 G HA2 -0.167 3.814 3.960 0.034 0.000 0.214 136 G HA3 -0.167 3.814 3.960 0.034 0.000 0.214 136 G C 1.591 176.722 174.900 0.385 0.000 1.189 136 G CA 1.629 46.922 45.100 0.322 0.000 0.789 136 G HN 0.425 nan 8.290 nan 0.000 0.533 137 T N -1.813 112.941 114.554 0.333 0.000 2.990 137 T HA 0.117 4.488 4.350 0.034 0.000 0.250 137 T C 0.683 175.494 174.700 0.185 0.000 1.041 137 T CA 0.517 62.775 62.100 0.264 0.000 1.010 137 T CB 0.139 69.202 68.868 0.325 0.000 1.003 137 T HN 0.455 nan 8.240 nan 0.000 0.499 138 N N 0.384 119.189 118.700 0.174 0.000 2.639 138 N HA 0.148 4.909 4.740 0.034 0.000 0.265 138 N C -1.146 174.432 175.510 0.114 0.000 1.689 138 N CA -0.512 52.609 53.050 0.118 0.000 0.813 138 N CB -0.229 38.331 38.487 0.123 0.000 1.353 138 N HN -0.064 nan 8.380 nan 0.000 0.510 139 T N 1.148 115.770 114.554 0.114 0.000 2.908 139 T HA 0.047 4.418 4.350 0.034 0.000 0.301 139 T C 0.316 175.095 174.700 0.132 0.000 1.019 139 T CA -0.029 62.169 62.100 0.163 0.000 1.152 139 T CB 0.427 69.367 68.868 0.120 0.000 0.966 139 T HN 0.374 nan 8.240 nan 0.000 0.540 140 L N 6.134 127.443 121.223 0.144 0.000 2.367 140 L HA 0.499 4.860 4.340 0.034 0.000 0.275 140 L C -0.083 176.846 176.870 0.099 0.000 1.129 140 L CA -0.060 54.835 54.840 0.091 0.000 0.839 140 L CB 0.452 42.543 42.059 0.053 0.000 1.133 140 L HN 0.551 nan 8.230 nan 0.000 0.453 141 V N 3.014 122.971 119.914 0.071 0.000 2.960 141 V HA 0.653 4.794 4.120 0.034 0.000 0.315 141 V C -0.014 176.103 176.094 0.037 0.000 1.087 141 V CA -1.173 61.164 62.300 0.061 0.000 0.982 141 V CB 1.697 33.553 31.823 0.056 0.000 1.039 141 V HN 0.760 nan 8.190 nan 0.000 0.437 142 R N 2.264 122.769 120.500 0.008 0.000 2.421 142 R HA 0.496 4.857 4.340 0.034 0.000 0.305 142 R C 1.242 177.577 176.300 0.059 0.000 1.039 142 R CA 0.767 56.868 56.100 0.002 0.000 1.003 142 R CB 0.399 30.615 30.300 -0.141 0.000 0.959 142 R HN 1.607 nan 8.270 nan 0.000 0.427 143 G N 1.644 110.500 108.800 0.093 0.000 2.176 143 G HA2 -0.316 3.665 3.960 0.034 0.000 0.232 143 G HA3 -0.316 3.665 3.960 0.034 0.000 0.232 143 G C 0.192 175.127 174.900 0.058 0.000 0.986 143 G CA 0.001 45.158 45.100 0.095 0.000 0.643 143 G HN 0.595 nan 8.290 nan 0.000 0.522 144 Q N 0.551 120.384 119.800 0.055 0.000 2.368 144 Q HA 0.577 4.938 4.340 0.034 0.000 0.237 144 Q C -0.100 175.933 176.000 0.055 0.000 0.987 144 Q CA -0.137 55.692 55.803 0.044 0.000 0.896 144 Q CB 0.353 29.117 28.738 0.044 0.000 1.241 144 Q HN 0.382 nan 8.270 nan 0.000 0.485 145 K N 2.775 123.208 120.400 0.055 0.000 2.339 145 K HA 0.417 4.757 4.320 0.034 0.000 0.264 145 K C -1.341 175.302 176.600 0.071 0.000 0.986 145 K CA -0.598 55.742 56.287 0.089 0.000 0.866 145 K CB 1.325 33.910 32.500 0.141 0.000 1.103 145 K HN 0.297 nan 8.250 nan 0.000 0.441 146 L N 5.318 126.576 121.223 0.058 0.000 2.462 146 L HA 0.390 4.751 4.340 0.034 0.000 0.255 146 L C -2.809 174.076 176.870 0.025 0.000 1.076 146 L CA -2.091 52.775 54.840 0.043 0.000 0.920 146 L CB 1.046 43.132 42.059 0.045 0.000 1.214 146 L HN 0.377 nan 8.230 nan 0.000 0.472 147 P HA 0.206 nan 4.420 nan 0.000 0.269 147 P C -0.470 176.845 177.300 0.025 0.000 1.215 147 P CA 0.151 63.239 63.100 -0.020 0.000 0.780 147 P CB 0.681 32.377 31.700 -0.007 0.000 0.898 148 I N 2.729 123.296 120.570 -0.004 0.000 2.312 148 I HA 0.223 4.414 4.170 0.034 0.000 0.291 148 I C 0.044 176.179 176.117 0.030 0.000 1.031 148 I CA -0.430 60.889 61.300 0.031 0.000 1.293 148 I CB 0.023 38.030 38.000 0.012 0.000 1.403 148 I HN 0.243 nan 8.210 nan 0.000 0.484 149 F N 6.966 126.887 119.950 -0.049 0.000 2.385 149 F HA 0.498 5.045 4.527 0.033 0.000 0.360 149 F C 0.343 176.118 175.800 -0.041 0.000 1.122 149 F CA 0.393 58.360 58.000 -0.055 0.000 1.090 149 F CB 1.062 40.046 39.000 -0.027 0.000 1.150 149 F HN 0.447 nan 8.300 nan 0.000 0.472 150 S N 3.728 119.197 115.700 -0.384 0.000 2.998 150 S HA 0.962 5.452 4.470 0.034 0.000 0.321 150 S C -1.358 173.082 174.600 -0.267 0.000 1.171 150 S CA -0.076 58.011 58.200 -0.189 0.000 0.882 150 S CB 1.213 64.336 63.200 -0.129 0.000 1.301 150 S HN 1.061 nan 8.310 nan 0.000 0.629 151 A N 0.729 123.501 122.820 -0.081 0.000 2.599 151 A HA 0.713 5.053 4.320 0.034 0.000 0.290 151 A C -0.567 177.056 177.584 0.063 0.000 1.101 151 A CA -0.164 51.845 52.037 -0.046 0.000 0.674 151 A CB 0.629 19.627 19.000 -0.004 0.000 1.277 151 A HN 1.554 nan 8.150 nan 0.000 0.419 152 S N -0.084 115.641 115.700 0.042 0.000 2.552 152 S HA 0.427 4.918 4.470 0.034 0.000 0.289 152 S C 1.202 175.831 174.600 0.050 0.000 1.304 152 S CA 0.739 58.975 58.200 0.061 0.000 1.063 152 S CB 0.542 63.760 63.200 0.030 0.000 0.848 152 S HN 2.737 nan 8.310 nan 0.000 0.499 153 G N 1.870 110.688 108.800 0.030 0.000 2.179 153 G HA2 -0.219 3.761 3.960 0.034 0.000 0.260 153 G HA3 -0.219 3.761 3.960 0.034 0.000 0.260 153 G C -0.115 174.721 174.900 -0.107 0.000 0.977 153 G CA 0.244 45.340 45.100 -0.007 0.000 0.641 153 G HN 0.747 nan 8.290 nan 0.000 0.533 154 L N 1.096 122.242 121.223 -0.128 0.000 2.360 154 L HA 0.475 4.836 4.340 0.034 0.000 0.271 154 L C -1.311 175.356 176.870 -0.338 0.000 1.057 154 L CA -2.165 52.509 54.840 -0.277 0.000 0.803 154 L CB 1.544 43.566 42.059 -0.062 0.000 1.207 154 L HN -0.102 nan 8.230 nan 0.000 0.445 155 P HA 0.063 nan 4.420 nan 0.000 0.235 155 P C 0.216 177.479 177.300 -0.062 0.000 1.725 155 P CA -0.104 62.909 63.100 -0.145 0.000 0.894 155 P CB -0.423 31.321 31.700 0.072 0.000 1.704 156 H N -1.486 117.612 119.070 0.047 0.000 2.421 156 H HA -0.073 4.503 4.556 0.034 0.000 0.298 156 H C 1.484 176.867 175.328 0.091 0.000 1.087 156 H CA 1.191 57.271 56.048 0.053 0.000 1.330 156 H CB -0.993 28.772 29.762 0.006 0.000 1.388 156 H HN 0.079 nan 8.280 nan 0.000 0.526 157 N N 0.487 119.209 118.700 0.038 0.000 2.270 157 N HA -0.104 4.657 4.740 0.034 0.000 0.181 157 N C 1.603 177.214 175.510 0.167 0.000 1.016 157 N CA 0.914 54.072 53.050 0.180 0.000 0.870 157 N CB -0.036 38.637 38.487 0.311 0.000 0.979 157 N HN 0.453 nan 8.380 nan 0.000 0.431 158 E N 0.937 121.234 120.200 0.161 0.000 2.077 158 E HA -0.063 4.308 4.350 0.034 0.000 0.193 158 E C 2.127 178.852 176.600 0.207 0.000 0.989 158 E CA 0.490 56.994 56.400 0.173 0.000 0.800 158 E CB -0.183 29.593 29.700 0.126 0.000 0.746 158 E HN 0.430 nan 8.360 nan 0.000 0.452 159 I N 1.013 121.725 120.570 0.236 0.000 2.252 159 I HA -0.248 3.943 4.170 0.034 0.000 0.245 159 I C 2.513 178.699 176.117 0.115 0.000 1.102 159 I CA 1.028 62.432 61.300 0.173 0.000 1.385 159 I CB -0.367 37.696 38.000 0.105 0.000 1.064 159 I HN -0.009 nan 8.210 nan 0.000 0.414 160 A N 1.053 123.947 122.820 0.124 0.000 1.883 160 A HA -0.184 4.156 4.320 0.034 0.000 0.217 160 A C 2.304 179.974 177.584 0.143 0.000 1.186 160 A CA 1.581 53.701 52.037 0.139 0.000 0.624 160 A CB -0.916 18.174 19.000 0.151 0.000 0.822 160 A HN 0.384 nan 8.150 nan 0.000 0.444 161 L N -1.074 120.169 121.223 0.032 0.000 2.093 161 L HA -0.220 4.141 4.340 0.034 0.000 0.208 161 L C 2.895 179.661 176.870 -0.173 0.000 1.085 161 L CA 1.726 56.444 54.840 -0.204 0.000 0.755 161 L CB -0.470 41.396 42.059 -0.322 0.000 0.904 161 L HN 0.604 nan 8.230 nan 0.000 0.435 162 Q N 0.621 120.393 119.800 -0.046 0.000 2.084 162 Q HA -0.210 4.151 4.340 0.034 0.000 0.202 162 Q C 2.309 178.294 176.000 -0.025 0.000 0.978 162 Q CA 1.622 57.410 55.803 -0.026 0.000 0.844 162 Q CB -0.036 28.745 28.738 0.071 0.000 0.898 162 Q HN 0.512 nan 8.270 nan 0.000 0.426 163 I N 0.693 121.271 120.570 0.013 0.000 2.226 163 I HA -0.272 3.918 4.170 0.034 0.000 0.245 163 I C 2.453 178.600 176.117 0.051 0.000 1.100 163 I CA 0.976 62.296 61.300 0.033 0.000 1.374 163 I CB -0.486 37.550 38.000 0.061 0.000 1.057 163 I HN 0.275 nan 8.210 nan 0.000 0.413 164 A N 0.881 123.725 122.820 0.041 0.000 1.940 164 A HA -0.204 4.137 4.320 0.034 0.000 0.219 164 A C 2.401 179.959 177.584 -0.043 0.000 1.176 164 A CA 1.542 53.608 52.037 0.049 0.000 0.631 164 A CB -0.530 18.463 19.000 -0.011 0.000 0.814 164 A HN 0.355 nan 8.150 nan 0.000 0.446 165 R N -1.093 119.319 120.500 -0.146 0.000 2.093 165 R HA -0.030 4.331 4.340 0.034 0.000 0.224 165 R C 2.118 178.390 176.300 -0.046 0.000 1.101 165 R CA 1.452 57.470 56.100 -0.137 0.000 0.979 165 R CB -0.145 30.048 30.300 -0.179 0.000 0.877 165 R HN 0.661 nan 8.270 nan 0.000 0.441 166 Q N -0.231 119.551 119.800 -0.031 0.000 2.392 166 Q HA 0.236 4.596 4.340 0.034 0.000 0.219 166 Q C 0.196 176.164 176.000 -0.053 0.000 0.895 166 Q CA -0.140 55.640 55.803 -0.039 0.000 0.929 166 Q CB 0.790 29.499 28.738 -0.047 0.000 1.077 166 Q HN 0.166 nan 8.270 nan 0.000 0.532 167 A N 1.655 124.471 122.820 -0.008 0.000 2.483 167 A HA 0.328 4.669 4.320 0.034 0.000 0.238 167 A C 0.293 177.652 177.584 -0.375 0.000 1.070 167 A CA 0.413 52.389 52.037 -0.102 0.000 0.770 167 A CB 0.229 19.300 19.000 0.118 0.000 1.008 167 A HN 0.284 nan 8.150 nan 0.000 0.497 168 S N -0.852 114.431 115.700 -0.695 0.000 2.643 168 S HA 0.596 5.087 4.470 0.034 0.000 0.270 168 S C -0.794 173.282 174.600 -0.874 0.000 1.166 168 S CA -0.054 57.601 58.200 -0.908 0.000 0.815 168 S CB 1.193 64.143 63.200 -0.418 0.000 1.139 168 S HN 1.954 nan 8.310 nan 0.000 0.472 169 V N -1.544 117.983 119.914 -0.645 0.000 2.266 169 V HA 0.556 4.697 4.120 0.034 0.000 0.266 169 V C -3.125 172.877 176.094 -0.153 0.000 1.036 169 V CA -2.113 59.973 62.300 -0.356 0.000 0.828 169 V CB -0.328 31.381 31.823 -0.189 0.000 1.081 169 V HN 0.665 nan 8.190 nan 0.000 0.449 170 P HA 0.282 nan 4.420 nan 0.000 0.260 170 P C 1.271 178.598 177.300 0.045 0.000 1.185 170 P CA 1.890 64.989 63.100 -0.002 0.000 0.763 170 P CB 0.731 32.481 31.700 0.083 0.000 0.776 171 G N 2.131 110.954 108.800 0.038 0.000 2.179 171 G HA2 -0.278 3.703 3.960 0.034 0.000 0.260 171 G HA3 -0.278 3.703 3.960 0.034 0.000 0.260 171 G C 0.541 175.479 174.900 0.064 0.000 0.977 171 G CA 0.234 45.365 45.100 0.052 0.000 0.641 171 G HN 0.762 nan 8.290 nan 0.000 0.533 172 S N 0.160 115.904 115.700 0.073 0.000 2.531 172 S HA 0.362 4.853 4.470 0.034 0.000 0.279 172 S C 1.428 176.093 174.600 0.108 0.000 1.305 172 S CA 0.611 58.883 58.200 0.119 0.000 1.058 172 S CB 0.743 64.061 63.200 0.196 0.000 0.899 172 S HN 0.399 nan 8.310 nan 0.000 0.493 173 E N 2.439 122.698 120.200 0.099 0.000 2.338 173 E HA -0.012 4.358 4.350 0.034 0.000 0.197 173 E C 0.078 176.713 176.600 0.058 0.000 1.007 173 E CA 0.373 56.814 56.400 0.068 0.000 0.849 173 E CB 0.187 29.918 29.700 0.053 0.000 0.774 173 E HN 0.439 nan 8.360 nan 0.000 0.506 174 S N 0.741 116.488 115.700 0.077 0.000 2.525 174 S HA 0.448 4.939 4.470 0.034 0.000 0.278 174 S C -0.037 174.617 174.600 0.089 0.000 1.234 174 S CA -0.742 57.467 58.200 0.015 0.000 1.058 174 S CB 1.570 64.656 63.200 -0.190 0.000 0.983 174 S HN 0.260 nan 8.310 nan 0.000 0.495 175 A N 2.358 125.215 122.820 0.062 0.000 2.406 175 A HA 0.540 4.881 4.320 0.034 0.000 0.243 175 A C -0.530 177.170 177.584 0.193 0.000 1.082 175 A CA -0.041 52.062 52.037 0.112 0.000 0.786 175 A CB -0.023 19.013 19.000 0.060 0.000 1.029 175 A HN 0.692 nan 8.150 nan 0.000 0.495 176 F N 0.380 120.360 119.950 0.049 0.000 2.508 176 F HA 0.654 5.213 4.527 0.054 0.000 0.325 176 F C 0.121 175.955 175.800 0.056 0.000 1.090 176 F CA -0.125 57.918 58.000 0.072 0.000 0.945 176 F CB 1.675 40.715 39.000 0.067 0.000 1.156 176 F HN 0.807 nan 8.300 nan 0.000 0.463 177 A N 4.149 126.592 122.820 -0.628 0.000 2.515 177 A HA 0.830 5.170 4.320 0.034 0.000 0.296 177 A C -1.969 175.228 177.584 -0.644 0.000 1.094 177 A CA -0.723 51.041 52.037 -0.455 0.000 0.718 177 A CB 1.648 20.534 19.000 -0.191 0.000 1.307 177 A HN 0.580 nan 8.150 nan 0.000 0.408 178 V N 0.715 120.463 119.914 -0.277 0.000 2.628 178 V HA 0.579 4.720 4.120 0.034 0.000 0.306 178 V C -0.648 175.451 176.094 0.008 0.000 1.045 178 V CA -0.500 61.732 62.300 -0.113 0.000 0.905 178 V CB 1.769 33.637 31.823 0.075 0.000 0.997 178 V HN 0.684 nan 8.190 nan 0.000 0.436 179 V N 4.865 124.817 119.914 0.064 0.000 2.409 179 V HA 0.473 4.613 4.120 0.034 0.000 0.291 179 V C -0.875 175.338 176.094 0.199 0.000 1.020 179 V CA -0.502 61.880 62.300 0.138 0.000 0.848 179 V CB 1.529 33.443 31.823 0.151 0.000 0.990 179 V HN 0.715 nan 8.190 nan 0.000 0.430 180 F N 4.396 124.371 119.950 0.041 0.000 2.449 180 F HA 0.805 5.351 4.527 0.032 0.000 0.342 180 F C 0.151 175.999 175.800 0.080 0.000 1.127 180 F CA -0.419 57.605 58.000 0.040 0.000 0.975 180 F CB 1.270 40.276 39.000 0.011 0.000 1.146 180 F HN 0.549 nan 8.300 nan 0.000 0.444 181 A N 4.904 127.606 122.820 -0.196 0.000 2.330 181 A HA 0.882 5.222 4.320 0.034 0.000 0.313 181 A C -1.353 176.127 177.584 -0.173 0.000 1.124 181 A CA -0.369 51.645 52.037 -0.038 0.000 0.774 181 A CB 0.879 19.857 19.000 -0.038 0.000 1.198 181 A HN 1.080 nan 8.150 nan 0.000 0.465 182 A N 2.862 125.719 122.820 0.061 0.000 2.342 182 A HA 0.832 5.172 4.320 0.034 0.000 0.323 182 A C -0.535 177.136 177.584 0.145 0.000 1.125 182 A CA -0.419 51.697 52.037 0.131 0.000 0.785 182 A CB 0.793 20.049 19.000 0.427 0.000 1.221 182 A HN 0.821 nan 8.150 nan 0.000 0.463 183 M N 1.680 121.353 119.600 0.121 0.000 2.253 183 M HA 0.516 5.017 4.480 0.034 0.000 0.314 183 M C 0.846 177.211 176.300 0.108 0.000 1.019 183 M CA 0.315 55.681 55.300 0.110 0.000 0.932 183 M CB 2.083 34.749 32.600 0.111 0.000 1.606 183 M HN 1.472 nan 8.290 nan 0.000 0.430 184 G N 2.971 111.827 108.800 0.093 0.000 2.273 184 G HA2 -0.226 3.755 3.960 0.034 0.000 0.280 184 G HA3 -0.226 3.755 3.960 0.034 0.000 0.280 184 G C -0.169 174.776 174.900 0.075 0.000 1.047 184 G CA 0.533 45.679 45.100 0.076 0.000 0.869 184 G HN 0.851 nan 8.290 nan 0.000 0.502 185 I N -1.752 118.870 120.570 0.086 0.000 2.834 185 I HA 0.791 4.982 4.170 0.034 0.000 0.305 185 I C 0.968 177.098 176.117 0.022 0.000 1.008 185 I CA -0.431 60.909 61.300 0.066 0.000 1.273 185 I CB 1.109 39.165 38.000 0.094 0.000 1.432 185 I HN 0.253 nan 8.210 nan 0.000 0.557 186 T N 0.258 114.805 114.554 -0.012 0.000 2.788 186 T HA 0.180 4.551 4.350 0.034 0.000 0.287 186 T C 0.934 175.610 174.700 -0.039 0.000 1.007 186 T CA -0.465 61.622 62.100 -0.022 0.000 1.005 186 T CB 0.713 69.562 68.868 -0.031 0.000 1.012 186 T HN 0.693 nan 8.240 nan 0.000 0.530 187 N N 0.887 119.572 118.700 -0.025 0.000 2.104 187 N HA -0.138 4.623 4.740 0.034 0.000 0.190 187 N C 1.686 177.169 175.510 -0.045 0.000 1.024 187 N CA 1.527 54.561 53.050 -0.025 0.000 0.853 187 N CB -0.288 38.191 38.487 -0.013 0.000 1.008 187 N HN 0.677 nan 8.380 nan 0.000 0.424 188 E N 1.181 121.348 120.200 -0.054 0.000 2.072 188 E HA -0.102 4.269 4.350 0.034 0.000 0.191 188 E C 1.877 178.415 176.600 -0.104 0.000 0.985 188 E CA 0.862 57.224 56.400 -0.063 0.000 0.801 188 E CB -0.168 29.493 29.700 -0.064 0.000 0.750 188 E HN 0.463 nan 8.360 nan 0.000 0.452 189 E N 0.346 120.438 120.200 -0.180 0.000 2.051 189 E HA -0.188 4.183 4.350 0.034 0.000 0.192 189 E C 2.078 178.327 176.600 -0.585 0.000 0.991 189 E CA 1.026 57.169 56.400 -0.427 0.000 0.799 189 E CB -0.210 29.225 29.700 -0.441 0.000 0.748 189 E HN 0.275 nan 8.360 nan 0.000 0.449 190 A N 1.405 124.055 122.820 -0.283 0.000 1.883 190 A HA -0.254 4.086 4.320 0.034 0.000 0.217 190 A C 2.141 179.703 177.584 -0.036 0.000 1.186 190 A CA 1.422 53.390 52.037 -0.115 0.000 0.624 190 A CB -0.409 18.582 19.000 -0.015 0.000 0.822 190 A HN 0.127 nan 8.150 nan 0.000 0.444 191 Q N -1.634 118.152 119.800 -0.022 0.000 2.084 191 Q HA -0.182 4.178 4.340 0.034 0.000 0.202 191 Q C 1.969 178.021 176.000 0.087 0.000 0.978 191 Q CA 1.765 57.586 55.803 0.030 0.000 0.844 191 Q CB -0.735 28.017 28.738 0.024 0.000 0.898 191 Q HN 0.842 nan 8.270 nan 0.000 0.426 192 Y N 0.850 121.106 120.300 -0.074 0.000 2.114 192 Y HA -0.197 4.375 4.550 0.037 0.000 0.284 192 Y C 2.026 178.021 175.900 0.158 0.000 1.143 192 Y CA 1.228 59.322 58.100 -0.010 0.000 1.135 192 Y CB -0.754 37.663 38.460 -0.072 0.000 0.980 192 Y HN 0.034 nan 8.280 nan 0.000 0.499 193 F N -0.598 119.290 119.950 -0.103 0.000 2.095 193 F HA -0.334 4.214 4.527 0.035 0.000 0.298 193 F C 2.540 178.321 175.800 -0.031 0.000 1.104 193 F CA 1.107 59.007 58.000 -0.167 0.000 1.232 193 F CB -0.459 38.551 39.000 0.016 0.000 0.987 193 F HN 0.104 nan 8.300 nan 0.000 0.475 194 M N -0.289 119.427 119.600 0.193 0.000 2.080 194 M HA -0.245 4.256 4.480 0.034 0.000 0.260 194 M C 2.525 178.876 176.300 0.083 0.000 1.068 194 M CA 1.803 57.171 55.300 0.113 0.000 1.109 194 M CB -0.629 32.007 32.600 0.059 0.000 1.342 194 M HN 0.083 nan 8.290 nan 0.000 0.405 195 S N 0.137 115.868 115.700 0.051 0.000 2.370 195 S HA -0.219 4.272 4.470 0.034 0.000 0.226 195 S C 1.437 176.026 174.600 -0.019 0.000 1.033 195 S CA 2.165 60.381 58.200 0.027 0.000 1.011 195 S CB -0.329 62.904 63.200 0.055 0.000 0.852 195 S HN 0.478 nan 8.310 nan 0.000 0.457 196 D N -0.635 119.700 120.400 -0.108 0.000 2.097 196 D HA -0.050 4.611 4.640 0.034 0.000 0.197 196 D C 1.638 177.805 176.300 -0.222 0.000 0.984 196 D CA 1.256 55.118 54.000 -0.229 0.000 0.826 196 D CB -0.267 40.252 40.800 -0.468 0.000 0.973 196 D HN 0.480 nan 8.370 nan 0.000 0.460 197 F N 0.989 120.821 119.950 -0.197 0.000 2.134 197 F HA -0.067 4.485 4.527 0.041 0.000 0.299 197 F C 2.460 178.195 175.800 -0.109 0.000 1.097 197 F CA 1.231 59.127 58.000 -0.173 0.000 1.264 197 F CB -0.124 38.759 39.000 -0.196 0.000 1.001 197 F HN 0.016 nan 8.300 nan 0.000 0.479 198 E N 0.020 120.278 120.200 0.096 0.000 2.047 198 E HA -0.234 4.136 4.350 0.034 0.000 0.191 198 E C 2.144 178.750 176.600 0.010 0.000 0.987 198 E CA 1.175 57.601 56.400 0.044 0.000 0.799 198 E CB -0.240 29.477 29.700 0.028 0.000 0.752 198 E HN 0.282 nan 8.360 nan 0.000 0.449 199 K N 0.930 121.325 120.400 -0.009 0.000 2.148 199 K HA -0.115 4.225 4.320 0.034 0.000 0.204 199 K C 1.935 178.516 176.600 -0.031 0.000 1.050 199 K CA 1.775 58.051 56.287 -0.019 0.000 0.942 199 K CB -0.006 32.482 32.500 -0.021 0.000 0.724 199 K HN 0.185 nan 8.250 nan 0.000 0.446 200 T N -3.964 110.558 114.554 -0.053 0.000 3.065 200 T HA 0.227 4.597 4.350 0.034 0.000 0.252 200 T C 1.369 176.046 174.700 -0.039 0.000 1.099 200 T CA 0.513 62.575 62.100 -0.063 0.000 1.063 200 T CB 0.355 69.153 68.868 -0.117 0.000 0.948 200 T HN 0.394 nan 8.240 nan 0.000 0.506 201 G N 0.960 109.750 108.800 -0.016 0.000 2.179 201 G HA2 -0.238 3.743 3.960 0.034 0.000 0.260 201 G HA3 -0.238 3.743 3.960 0.034 0.000 0.260 201 G C 1.225 176.141 174.900 0.026 0.000 0.977 201 G CA 0.266 45.370 45.100 0.006 0.000 0.641 201 G HN 1.071 nan 8.290 nan 0.000 0.533 202 A N -0.244 122.581 122.820 0.008 0.000 1.978 202 A HA 0.190 4.530 4.320 0.034 0.000 0.220 202 A C 2.331 180.051 177.584 0.227 0.000 1.170 202 A CA 2.203 54.267 52.037 0.045 0.000 0.636 202 A CB -0.242 18.657 19.000 -0.169 0.000 0.810 202 A HN 1.320 nan 8.150 nan 0.000 0.448 203 L N 0.332 121.709 121.223 0.256 0.000 2.127 203 L HA -0.167 4.194 4.340 0.034 0.000 0.211 203 L C 2.006 178.909 176.870 0.055 0.000 1.089 203 L CA 2.243 57.186 54.840 0.172 0.000 0.757 203 L CB -0.616 41.497 42.059 0.091 0.000 0.899 203 L HN 0.535 nan 8.230 nan 0.000 0.434 204 E N -0.371 119.860 120.200 0.051 0.000 2.268 204 E HA -0.192 4.178 4.350 0.034 0.000 0.195 204 E C 1.465 178.074 176.600 0.015 0.000 0.995 204 E CA 1.051 57.463 56.400 0.020 0.000 0.836 204 E CB -0.041 29.670 29.700 0.019 0.000 0.763 204 E HN 0.627 nan 8.360 nan 0.000 0.491 205 R N -0.216 120.306 120.500 0.037 0.000 2.509 205 R HA 0.471 4.831 4.340 0.034 0.000 0.300 205 R C -0.026 176.275 176.300 0.002 0.000 0.985 205 R CA -0.154 55.961 56.100 0.025 0.000 1.092 205 R CB 0.778 31.116 30.300 0.063 0.000 1.237 205 R HN -0.091 nan 8.270 nan 0.000 0.546 206 A N 0.730 123.548 122.820 -0.002 0.000 2.380 206 A HA 0.653 4.993 4.320 0.034 0.000 0.315 206 A C -0.811 176.705 177.584 -0.114 0.000 1.101 206 A CA -0.730 51.286 52.037 -0.036 0.000 0.771 206 A CB 2.071 21.070 19.000 -0.002 0.000 1.287 206 A HN 0.072 nan 8.150 nan 0.000 0.436 207 V N 1.643 121.491 119.914 -0.110 0.000 2.384 207 V HA 0.497 4.637 4.120 0.034 0.000 0.287 207 V C -0.452 175.490 176.094 -0.253 0.000 1.020 207 V CA -0.541 61.638 62.300 -0.201 0.000 0.850 207 V CB 1.204 32.969 31.823 -0.096 0.000 0.987 207 V HN 0.601 nan 8.190 nan 0.000 0.436 208 V N 5.464 125.117 119.914 -0.436 0.000 2.409 208 V HA 0.530 4.671 4.120 0.034 0.000 0.291 208 V C -0.776 175.095 176.094 -0.371 0.000 1.020 208 V CA -0.387 61.706 62.300 -0.344 0.000 0.848 208 V CB 1.432 32.933 31.823 -0.537 0.000 0.990 208 V HN 0.695 nan 8.190 nan 0.000 0.430 209 F N 5.393 125.347 119.950 0.006 0.000 2.402 209 F HA 0.630 5.195 4.527 0.064 0.000 0.355 209 F C -0.089 175.753 175.800 0.070 0.000 1.123 209 F CA -0.527 57.483 58.000 0.017 0.000 1.021 209 F CB 1.445 40.445 39.000 -0.000 0.000 1.160 209 F HN 0.195 nan 8.300 nan 0.000 0.451 210 L N 3.471 124.818 121.223 0.208 0.000 2.319 210 L HA 0.436 4.797 4.340 0.034 0.000 0.281 210 L C -0.685 176.277 176.870 0.153 0.000 1.005 210 L CA -0.714 54.246 54.840 0.200 0.000 0.828 210 L CB 1.799 43.963 42.059 0.175 0.000 1.227 210 L HN 0.528 nan 8.230 nan 0.000 0.415 211 N N 3.778 122.566 118.700 0.148 0.000 2.424 211 N HA 0.536 5.297 4.740 0.034 0.000 0.271 211 N C -1.045 174.522 175.510 0.095 0.000 0.985 211 N CA -0.466 52.647 53.050 0.106 0.000 0.921 211 N CB 1.053 39.596 38.487 0.092 0.000 1.149 211 N HN 0.473 nan 8.380 nan 0.000 0.492 212 L N 2.595 123.860 121.223 0.071 0.000 2.399 212 L HA 0.430 4.791 4.340 0.034 0.000 0.266 212 L C 1.655 178.555 176.870 0.050 0.000 1.114 212 L CA -0.720 54.153 54.840 0.055 0.000 0.804 212 L CB 1.025 43.108 42.059 0.040 0.000 1.146 212 L HN 0.712 nan 8.230 nan 0.000 0.451 213 A N 1.021 123.868 122.820 0.044 0.000 1.927 213 A HA -0.224 4.117 4.320 0.034 0.000 0.220 213 A C 1.575 179.181 177.584 0.038 0.000 1.185 213 A CA 2.091 54.154 52.037 0.042 0.000 0.639 213 A CB -0.426 18.596 19.000 0.037 0.000 0.820 213 A HN 0.879 nan 8.150 nan 0.000 0.451 214 D N 0.163 120.582 120.400 0.032 0.000 2.347 214 D HA 0.056 4.717 4.640 0.034 0.000 0.213 214 D C -0.146 176.171 176.300 0.028 0.000 0.985 214 D CA 0.115 54.132 54.000 0.028 0.000 0.879 214 D CB -0.242 40.571 40.800 0.022 0.000 0.919 214 D HN 0.352 nan 8.370 nan 0.000 0.526 215 D N 1.319 121.738 120.400 0.032 0.000 2.419 215 D HA 0.053 4.713 4.640 0.034 0.000 0.236 215 D C -2.171 174.148 176.300 0.032 0.000 1.165 215 D CA -0.919 53.101 54.000 0.032 0.000 0.882 215 D CB 0.023 40.846 40.800 0.038 0.000 1.201 215 D HN -0.001 nan 8.370 nan 0.000 0.443 216 P HA 0.015 nan 4.420 nan 0.000 0.264 216 P C 0.107 177.428 177.300 0.035 0.000 1.183 216 P CA 0.002 63.122 63.100 0.033 0.000 0.763 216 P CB 0.535 32.254 31.700 0.032 0.000 0.807 217 A N 3.647 126.489 122.820 0.037 0.000 1.978 217 A HA -0.176 4.165 4.320 0.034 0.000 0.220 217 A C 2.049 179.656 177.584 0.038 0.000 1.170 217 A CA 1.760 53.817 52.037 0.033 0.000 0.636 217 A CB -1.386 17.634 19.000 0.033 0.000 0.810 217 A HN 0.416 nan 8.150 nan 0.000 0.448 218 V N 0.011 119.959 119.914 0.058 0.000 2.343 218 V HA -0.272 3.869 4.120 0.034 0.000 0.247 218 V C 2.333 178.447 176.094 0.033 0.000 1.051 218 V CA 2.265 64.618 62.300 0.089 0.000 1.036 218 V CB -0.773 31.116 31.823 0.110 0.000 0.654 218 V HN 0.658 nan 8.190 nan 0.000 0.451 219 E N -0.361 119.848 120.200 0.016 0.000 2.204 219 E HA -0.221 4.149 4.350 0.034 0.000 0.194 219 E C 2.395 178.987 176.600 -0.014 0.000 0.989 219 E CA 0.793 57.187 56.400 -0.011 0.000 0.824 219 E CB -0.150 29.558 29.700 0.013 0.000 0.756 219 E HN 0.460 nan 8.360 nan 0.000 0.477 220 R N 1.256 121.762 120.500 0.011 0.000 2.075 220 R HA -0.116 4.245 4.340 0.034 0.000 0.232 220 R C 2.479 178.808 176.300 0.048 0.000 1.126 220 R CA 1.362 57.480 56.100 0.031 0.000 0.963 220 R CB -0.218 30.100 30.300 0.029 0.000 0.858 220 R HN 0.286 nan 8.270 nan 0.000 0.435 221 I N -2.470 118.100 120.570 -0.000 0.000 2.928 221 I HA -0.023 4.167 4.170 0.034 0.000 0.266 221 I C 1.517 177.587 176.117 -0.077 0.000 1.234 221 I CA 0.542 61.884 61.300 0.070 0.000 1.483 221 I CB 0.063 38.083 38.000 0.033 0.000 1.097 221 I HN -0.119 nan 8.210 nan 0.000 0.455 222 V N 1.677 121.388 119.914 -0.338 0.000 2.719 222 V HA -0.177 3.964 4.120 0.034 0.000 0.252 222 V C 2.597 178.516 176.094 -0.291 0.000 1.065 222 V CA 2.258 64.230 62.300 -0.548 0.000 1.086 222 V CB -0.831 30.705 31.823 -0.479 0.000 0.700 222 V HN 0.506 nan 8.190 nan 0.000 0.467 223 T N 1.328 115.791 114.554 -0.151 0.000 2.624 223 T HA -0.147 4.223 4.350 0.034 0.000 0.268 223 T C 0.043 174.605 174.700 -0.230 0.000 1.041 223 T CA 2.301 64.315 62.100 -0.144 0.000 1.159 223 T CB -1.342 67.515 68.868 -0.018 0.000 0.863 223 T HN 0.501 nan 8.240 nan 0.000 0.434 224 P HA -0.017 nan 4.420 nan 0.000 0.221 224 P C 1.298 178.474 177.300 -0.206 0.000 1.150 224 P CA 1.101 64.092 63.100 -0.182 0.000 0.800 224 P CB -0.057 31.535 31.700 -0.180 0.000 0.787 225 R N -0.946 119.431 120.500 -0.205 0.000 2.075 225 R HA 0.045 4.406 4.340 0.034 0.000 0.232 225 R C 2.650 178.805 176.300 -0.243 0.000 1.126 225 R CA 1.176 57.168 56.100 -0.181 0.000 0.963 225 R CB -0.592 29.607 30.300 -0.167 0.000 0.858 225 R HN 0.138 nan 8.270 nan 0.000 0.435 226 M N 0.283 119.661 119.600 -0.370 0.000 2.080 226 M HA -0.133 4.368 4.480 0.034 0.000 0.260 226 M C 2.486 178.343 176.300 -0.739 0.000 1.068 226 M CA 1.692 56.678 55.300 -0.524 0.000 1.109 226 M CB -0.780 31.411 32.600 -0.682 0.000 1.342 226 M HN 0.226 nan 8.290 nan 0.000 0.405 227 A N 0.331 122.638 122.820 -0.855 0.000 1.877 227 A HA -0.140 4.201 4.320 0.034 0.000 0.216 227 A C 2.211 179.690 177.584 -0.176 0.000 1.186 227 A CA 1.391 53.089 52.037 -0.564 0.000 0.620 227 A CB -0.935 17.865 19.000 -0.333 0.000 0.822 227 A HN 0.480 nan 8.150 nan 0.000 0.443 228 L N -0.745 120.397 121.223 -0.136 0.000 2.141 228 L HA -0.122 4.239 4.340 0.034 0.000 0.209 228 L C 2.693 179.571 176.870 0.014 0.000 1.094 228 L CA 1.533 56.362 54.840 -0.020 0.000 0.763 228 L CB -0.669 41.389 42.059 -0.001 0.000 0.908 228 L HN 0.348 nan 8.230 nan 0.000 0.437 229 T N -0.183 114.353 114.554 -0.030 0.000 2.777 229 T HA -0.113 4.257 4.350 0.034 0.000 0.266 229 T C 2.070 176.818 174.700 0.080 0.000 1.040 229 T CA 1.210 63.318 62.100 0.014 0.000 1.141 229 T CB -0.194 68.660 68.868 -0.023 0.000 0.868 229 T HN 0.421 nan 8.240 nan 0.000 0.444 230 A N 1.579 124.447 122.820 0.080 0.000 1.902 230 A HA 0.117 4.458 4.320 0.034 0.000 0.217 230 A C 2.640 180.347 177.584 0.206 0.000 1.181 230 A CA 1.888 54.038 52.037 0.188 0.000 0.623 230 A CB -1.123 18.052 19.000 0.292 0.000 0.818 230 A HN 0.505 nan 8.150 nan 0.000 0.443 231 A N -0.227 122.676 122.820 0.139 0.000 1.902 231 A HA -0.166 4.174 4.320 0.034 0.000 0.217 231 A C 1.908 179.561 177.584 0.115 0.000 1.181 231 A CA 1.684 53.791 52.037 0.116 0.000 0.623 231 A CB -0.534 18.522 19.000 0.094 0.000 0.818 231 A HN 0.636 nan 8.150 nan 0.000 0.443 232 E N -1.661 118.602 120.200 0.105 0.000 2.110 232 E HA -0.204 4.167 4.350 0.034 0.000 0.193 232 E C 1.846 178.514 176.600 0.112 0.000 0.988 232 E CA 1.417 57.846 56.400 0.047 0.000 0.804 232 E CB -0.336 29.344 29.700 -0.033 0.000 0.745 232 E HN 0.797 nan 8.360 nan 0.000 0.458 233 Y N 1.423 121.760 120.300 0.061 0.000 2.145 233 Y HA -0.222 4.320 4.550 -0.014 0.000 0.286 233 Y C 1.854 177.837 175.900 0.138 0.000 1.145 233 Y CA 1.492 59.651 58.100 0.098 0.000 1.148 233 Y CB -0.194 38.323 38.460 0.096 0.000 0.981 233 Y HN -0.059 nan 8.280 nan 0.000 0.507 234 L N -0.320 120.943 121.223 0.066 0.000 2.056 234 L HA -0.163 4.197 4.340 0.034 0.000 0.207 234 L C 2.801 179.652 176.870 -0.031 0.000 1.078 234 L CA 1.082 55.918 54.840 -0.006 0.000 0.749 234 L CB -0.971 41.128 42.059 0.066 0.000 0.901 234 L HN 0.349 nan 8.230 nan 0.000 0.433 235 A N -0.811 122.013 122.820 0.008 0.000 1.873 235 A HA -0.262 4.078 4.320 0.034 0.000 0.215 235 A C 2.163 179.750 177.584 0.006 0.000 1.186 235 A CA 1.640 53.684 52.037 0.012 0.000 0.616 235 A CB -0.732 18.303 19.000 0.059 0.000 0.823 235 A HN 0.435 nan 8.150 nan 0.000 0.442 236 Y N 0.366 120.577 120.300 -0.148 0.000 2.262 236 Y HA 0.057 4.621 4.550 0.023 0.000 0.295 236 Y C 2.113 177.876 175.900 -0.228 0.000 1.121 236 Y CA 1.690 59.688 58.100 -0.169 0.000 1.144 236 Y CB -0.101 38.258 38.460 -0.169 0.000 1.043 236 Y HN 0.409 nan 8.280 nan 0.000 0.528 237 E N -1.534 118.418 120.200 -0.413 0.000 2.371 237 E HA -0.085 4.285 4.350 0.034 0.000 0.194 237 E C 0.574 176.664 176.600 -0.850 0.000 1.012 237 E CA 0.814 56.799 56.400 -0.692 0.000 0.860 237 E CB 0.015 29.276 29.700 -0.731 0.000 0.811 237 E HN 0.652 nan 8.360 nan 0.000 0.502 238 H N -1.213 117.640 119.070 -0.360 0.000 2.923 238 H HA 0.238 4.808 4.556 0.022 0.000 0.268 238 H C 0.564 175.783 175.328 -0.183 0.000 1.148 238 H CA 0.247 56.142 56.048 -0.255 0.000 1.146 238 H CB 1.496 31.111 29.762 -0.246 0.000 1.607 238 H HN 0.175 nan 8.280 nan 0.000 0.566 239 G N 1.675 110.400 108.800 -0.125 0.000 2.338 239 G HA2 -0.319 3.662 3.960 0.034 0.000 0.296 239 G HA3 -0.319 3.662 3.960 0.034 0.000 0.296 239 G C -0.049 174.773 174.900 -0.130 0.000 1.040 239 G CA 0.351 45.378 45.100 -0.122 0.000 1.004 239 G HN 0.273 nan 8.290 nan 0.000 0.509 240 M N 0.169 119.702 119.600 -0.111 0.000 2.508 240 M HA 0.403 4.904 4.480 0.034 0.000 0.327 240 M C -0.021 176.201 176.300 -0.129 0.000 1.160 240 M CA -0.921 54.318 55.300 -0.102 0.000 0.980 240 M CB 1.545 34.124 32.600 -0.036 0.000 1.693 240 M HN 0.156 nan 8.290 nan 0.000 0.452 241 H N 1.798 120.935 119.070 0.112 0.000 2.668 241 H HA 0.395 4.969 4.556 0.031 0.000 0.303 241 H C -0.930 174.405 175.328 0.012 0.000 1.074 241 H CA -0.143 55.996 56.048 0.151 0.000 1.406 241 H CB 0.599 30.535 29.762 0.288 0.000 1.442 241 H HN 0.302 nan 8.280 nan 0.000 0.482 242 V N 5.459 125.426 119.914 0.088 0.000 2.495 242 V HA 0.143 4.284 4.120 0.034 0.000 0.298 242 V C -0.136 175.932 176.094 -0.042 0.000 1.031 242 V CA -0.889 61.350 62.300 -0.101 0.000 0.871 242 V CB 2.210 34.019 31.823 -0.025 0.000 0.988 242 V HN 0.403 nan 8.190 nan 0.000 0.432 243 L N 6.437 127.562 121.223 -0.162 0.000 2.287 243 L HA 0.679 5.039 4.340 0.034 0.000 0.287 243 L C -0.501 176.386 176.870 0.027 0.000 1.022 243 L CA 0.031 54.881 54.840 0.016 0.000 0.814 243 L CB 1.635 43.779 42.059 0.142 0.000 1.217 243 L HN 0.462 nan 8.230 nan 0.000 0.420 244 V N 6.966 126.912 119.914 0.054 0.000 2.370 244 V HA 0.464 4.605 4.120 0.034 0.000 0.283 244 V C 0.106 176.210 176.094 0.017 0.000 1.023 244 V CA -0.367 61.959 62.300 0.043 0.000 0.857 244 V CB 1.272 33.120 31.823 0.041 0.000 0.985 244 V HN 0.598 nan 8.190 nan 0.000 0.443 245 I N 6.232 126.793 120.570 -0.014 0.000 2.362 245 I HA 0.465 4.656 4.170 0.034 0.000 0.289 245 I C -0.655 175.283 176.117 -0.299 0.000 0.994 245 I CA -0.305 60.929 61.300 -0.110 0.000 1.158 245 I CB 1.532 39.522 38.000 -0.018 0.000 1.315 245 I HN 0.358 nan 8.210 nan 0.000 0.451 246 L N 5.804 126.870 121.223 -0.262 0.000 2.319 246 L HA 0.531 4.891 4.340 0.034 0.000 0.281 246 L C -0.187 176.524 176.870 -0.264 0.000 1.005 246 L CA -0.308 54.369 54.840 -0.272 0.000 0.828 246 L CB 1.902 43.845 42.059 -0.194 0.000 1.227 246 L HN 0.501 nan 8.230 nan 0.000 0.415 247 T N 1.002 115.396 114.554 -0.267 0.000 2.841 247 T HA 0.408 4.779 4.350 0.034 0.000 0.285 247 T C -1.401 173.282 174.700 -0.028 0.000 0.991 247 T CA -0.473 61.545 62.100 -0.137 0.000 0.966 247 T CB 1.366 70.175 68.868 -0.100 0.000 0.962 247 T HN 0.600 nan 8.240 nan 0.000 0.438 248 D N 4.454 124.852 120.400 -0.004 0.000 2.498 248 D HA 0.306 4.966 4.640 0.034 0.000 0.247 248 D C 1.249 177.523 176.300 -0.043 0.000 1.070 248 D CA -0.953 53.010 54.000 -0.061 0.000 0.842 248 D CB 0.967 41.746 40.800 -0.036 0.000 1.361 248 D HN 0.305 nan 8.370 nan 0.000 0.484 249 I N 2.568 123.079 120.570 -0.099 0.000 2.454 249 I HA -0.171 4.020 4.170 0.034 0.000 0.254 249 I C 1.856 177.995 176.117 0.037 0.000 1.156 249 I CA 0.975 62.252 61.300 -0.038 0.000 1.433 249 I CB -1.384 36.538 38.000 -0.131 0.000 1.082 249 I HN 0.496 nan 8.210 nan 0.000 0.432 250 T N 1.341 115.877 114.554 -0.030 0.000 2.788 250 T HA -0.116 4.255 4.350 0.034 0.000 0.268 250 T C 1.706 176.439 174.700 0.053 0.000 1.044 250 T CA 1.237 63.327 62.100 -0.017 0.000 1.139 250 T CB -0.209 68.623 68.868 -0.061 0.000 0.867 250 T HN 0.295 nan 8.240 nan 0.000 0.454 251 N N 0.548 119.283 118.700 0.059 0.000 2.244 251 N HA -0.050 4.710 4.740 0.034 0.000 0.183 251 N C 1.461 177.038 175.510 0.111 0.000 1.016 251 N CA 0.764 53.863 53.050 0.083 0.000 0.866 251 N CB -0.527 38.002 38.487 0.071 0.000 0.980 251 N HN 0.523 nan 8.380 nan 0.000 0.430 252 Y N 1.537 121.849 120.300 0.020 0.000 2.128 252 Y HA -0.170 4.404 4.550 0.040 0.000 0.284 252 Y C 2.270 178.198 175.900 0.047 0.000 1.154 252 Y CA 1.932 60.050 58.100 0.031 0.000 1.149 252 Y CB -0.412 38.059 38.460 0.019 0.000 0.976 252 Y HN 0.072 nan 8.280 nan 0.000 0.505 253 A N 0.177 123.077 122.820 0.132 0.000 1.933 253 A HA -0.254 4.086 4.320 0.034 0.000 0.218 253 A C 2.187 179.859 177.584 0.147 0.000 1.175 253 A CA 1.864 53.919 52.037 0.029 0.000 0.628 253 A CB -0.975 17.927 19.000 -0.164 0.000 0.814 253 A HN 0.693 nan 8.150 nan 0.000 0.444 254 E N 0.010 120.328 120.200 0.197 0.000 2.110 254 E HA -0.122 4.249 4.350 0.034 0.000 0.193 254 E C 2.004 178.650 176.600 0.078 0.000 0.988 254 E CA 1.203 57.732 56.400 0.214 0.000 0.804 254 E CB -0.299 29.521 29.700 0.201 0.000 0.745 254 E HN 0.528 nan 8.360 nan 0.000 0.458 255 A N 0.942 123.757 122.820 -0.008 0.000 1.933 255 A HA -0.124 4.217 4.320 0.034 0.000 0.218 255 A C 2.198 179.742 177.584 -0.067 0.000 1.175 255 A CA 1.130 53.135 52.037 -0.054 0.000 0.628 255 A CB -0.602 18.331 19.000 -0.111 0.000 0.814 255 A HN 0.337 nan 8.150 nan 0.000 0.444 256 L N -1.123 120.025 121.223 -0.126 0.000 2.046 256 L HA -0.191 4.170 4.340 0.034 0.000 0.208 256 L C 2.807 179.676 176.870 -0.002 0.000 1.077 256 L CA 1.858 56.661 54.840 -0.062 0.000 0.747 256 L CB -0.507 41.471 42.059 -0.134 0.000 0.896 256 L HN 0.481 nan 8.230 nan 0.000 0.432 257 R N 0.264 120.779 120.500 0.024 0.000 2.066 257 R HA -0.189 4.172 4.340 0.034 0.000 0.232 257 R C 2.295 178.577 176.300 -0.031 0.000 1.131 257 R CA 1.539 57.623 56.100 -0.027 0.000 0.955 257 R CB -0.101 30.136 30.300 -0.106 0.000 0.851 257 R HN 0.396 nan 8.270 nan 0.000 0.432 258 Q N -0.005 119.789 119.800 -0.009 0.000 2.226 258 Q HA -0.109 4.252 4.340 0.034 0.000 0.204 258 Q C 1.191 177.199 176.000 0.014 0.000 0.975 258 Q CA 1.067 56.868 55.803 -0.003 0.000 0.866 258 Q CB -0.039 28.705 28.738 0.010 0.000 0.915 258 Q HN 0.372 nan 8.270 nan 0.000 0.440 272 Y N 1.147 121.424 120.300 -0.039 0.000 2.335 272 Y HA 0.519 5.090 4.550 0.036 0.000 0.323 272 Y C -1.478 174.319 175.900 -0.172 0.000 1.224 272 Y CA -1.398 56.633 58.100 -0.115 0.000 1.241 272 Y CB 0.555 38.931 38.460 -0.142 0.000 1.235 272 Y HN 0.235 nan 8.280 nan 0.000 0.492 273 P HA 0.052 nan 4.420 nan 0.000 0.268 273 P C 0.812 177.936 177.300 -0.293 0.000 1.205 273 P CA 0.127 63.093 63.100 -0.223 0.000 0.771 273 P CB 0.804 32.227 31.700 -0.461 0.000 0.858 274 G N 1.804 110.550 108.800 -0.089 0.000 2.450 274 G HA2 -0.284 3.697 3.960 0.034 0.000 0.220 274 G HA3 -0.284 3.697 3.960 0.034 0.000 0.220 274 G C 1.068 175.954 174.900 -0.024 0.000 1.130 274 G CA 0.682 45.787 45.100 0.007 0.000 0.760 274 G HN 0.706 nan 8.290 nan 0.000 0.557 275 Y N -0.969 119.320 120.300 -0.019 0.000 2.616 275 Y HA 0.287 4.855 4.550 0.031 0.000 0.296 275 Y C 2.347 178.206 175.900 -0.070 0.000 1.154 275 Y CA 0.595 58.689 58.100 -0.010 0.000 1.325 275 Y CB -0.306 38.156 38.460 0.004 0.000 1.007 275 Y HN 0.176 nan 8.280 nan 0.000 0.542 276 M N -0.050 119.174 119.600 -0.627 0.000 2.106 276 M HA -0.248 4.253 4.480 0.034 0.000 0.259 276 M C 1.361 177.489 176.300 -0.286 0.000 1.068 276 M CA 2.123 57.104 55.300 -0.532 0.000 1.100 276 M CB -0.329 31.889 32.600 -0.636 0.000 1.351 276 M HN 0.459 nan 8.290 nan 0.000 0.404 277 Y N -0.469 119.848 120.300 0.028 0.000 2.200 277 Y HA -0.182 4.389 4.550 0.034 0.000 0.290 277 Y C 2.537 178.468 175.900 0.052 0.000 1.137 277 Y CA 1.671 59.809 58.100 0.063 0.000 1.163 277 Y CB -1.144 37.356 38.460 0.066 0.000 0.988 277 Y HN 0.236 nan 8.280 nan 0.000 0.518 278 T N -0.394 114.266 114.554 0.177 0.000 2.746 278 T HA -0.220 4.151 4.350 0.034 0.000 0.267 278 T C 1.395 176.110 174.700 0.025 0.000 1.039 278 T CA 1.745 63.898 62.100 0.088 0.000 1.142 278 T CB -0.511 68.423 68.868 0.111 0.000 0.866 278 T HN 0.404 nan 8.240 nan 0.000 0.444 279 D N 0.791 121.250 120.400 0.099 0.000 2.123 279 D HA -0.070 4.591 4.640 0.034 0.000 0.196 279 D C 2.001 178.309 176.300 0.014 0.000 0.992 279 D CA 0.877 54.953 54.000 0.126 0.000 0.833 279 D CB -0.300 40.667 40.800 0.279 0.000 0.954 279 D HN 0.288 nan 8.370 nan 0.000 0.455 280 L N 0.074 121.293 121.223 -0.007 0.000 2.079 280 L HA -0.141 4.220 4.340 0.034 0.000 0.210 280 L C 2.576 179.078 176.870 -0.614 0.000 1.081 280 L CA 1.094 55.870 54.840 -0.105 0.000 0.752 280 L CB -0.524 41.617 42.059 0.137 0.000 0.896 280 L HN 0.118 nan 8.230 nan 0.000 0.433 281 A N -0.022 122.314 122.820 -0.808 0.000 2.019 281 A HA -0.212 4.129 4.320 0.034 0.000 0.219 281 A C 2.399 179.517 177.584 -0.777 0.000 1.164 281 A CA 2.030 53.222 52.037 -1.409 0.000 0.644 281 A CB -0.895 17.705 19.000 -0.667 0.000 0.805 281 A HN 0.544 nan 8.150 nan 0.000 0.449 282 T N -2.103 112.210 114.554 -0.403 0.000 3.035 282 T HA 0.044 4.414 4.350 0.034 0.000 0.268 282 T C 1.647 176.219 174.700 -0.214 0.000 1.109 282 T CA 1.280 63.249 62.100 -0.219 0.000 1.119 282 T CB -0.393 68.430 68.868 -0.074 0.000 0.900 282 T HN 0.354 nan 8.240 nan 0.000 0.503 283 L N -0.280 120.759 121.223 -0.306 0.000 2.130 283 L HA 0.164 4.525 4.340 0.034 0.000 0.200 283 L C 2.640 179.365 176.870 -0.242 0.000 1.075 283 L CA 0.943 55.654 54.840 -0.214 0.000 0.768 283 L CB -0.672 41.295 42.059 -0.154 0.000 0.933 283 L HN 0.349 nan 8.230 nan 0.000 0.451 284 Y N -0.736 119.272 120.300 -0.486 0.000 2.516 284 Y HA 0.001 4.571 4.550 0.033 0.000 0.291 284 Y C 2.276 178.000 175.900 -0.294 0.000 1.131 284 Y CA 0.234 57.998 58.100 -0.560 0.000 1.281 284 Y CB -0.815 37.042 38.460 -1.005 0.000 1.013 284 Y HN 0.132 nan 8.280 nan 0.000 0.554 285 E N 2.305 122.385 120.200 -0.200 0.000 2.268 285 E HA -0.127 4.243 4.350 0.034 0.000 0.195 285 E C 0.329 176.786 176.600 -0.238 0.000 0.995 285 E CA 0.391 56.696 56.400 -0.157 0.000 0.836 285 E CB -0.029 29.575 29.700 -0.161 0.000 0.763 285 E HN 0.574 nan 8.360 nan 0.000 0.491 286 R N 0.535 120.931 120.500 -0.172 0.000 4.138 286 R HA 0.380 4.741 4.340 0.034 0.000 0.206 286 R C -0.458 175.749 176.300 -0.154 0.000 1.667 286 R CA 0.033 56.060 56.100 -0.122 0.000 1.481 286 R CB 0.538 30.879 30.300 0.068 0.000 1.388 286 R HN -0.011 nan 8.270 nan 0.000 0.776 287 A N 0.156 122.665 122.820 -0.519 0.000 2.589 287 A HA 0.839 5.180 4.320 0.034 0.000 0.296 287 A C -0.472 176.857 177.584 -0.425 0.000 1.062 287 A CA -0.302 51.578 52.037 -0.261 0.000 0.686 287 A CB 2.001 20.958 19.000 -0.072 0.000 1.282 287 A HN 0.530 nan 8.150 nan 0.000 0.404 288 G N -0.057 108.725 108.800 -0.030 0.000 2.369 288 G HA2 0.459 4.439 3.960 0.034 0.000 0.307 288 G HA3 0.459 4.439 3.960 0.034 0.000 0.307 288 G C -1.064 173.990 174.900 0.257 0.000 1.327 288 G CA -0.673 44.467 45.100 0.066 0.000 0.963 288 G HN 1.031 nan 8.290 nan 0.000 0.590 289 I N 1.050 121.742 120.570 0.203 0.000 2.648 289 I HA 0.323 4.514 4.170 0.034 0.000 0.284 289 I C 1.514 177.774 176.117 0.238 0.000 1.153 289 I CA -0.200 61.227 61.300 0.212 0.000 1.426 289 I CB 0.556 38.650 38.000 0.157 0.000 1.381 289 I HN 0.801 nan 8.210 nan 0.000 0.571 290 V N 3.891 123.915 119.914 0.184 0.000 2.863 290 V HA 0.416 4.557 4.120 0.034 0.000 0.307 290 V C 0.449 176.618 176.094 0.124 0.000 1.061 290 V CA -1.266 61.097 62.300 0.106 0.000 1.024 290 V CB 0.766 32.641 31.823 0.086 0.000 1.049 290 V HN 0.666 nan 8.190 nan 0.000 0.471 291 K N 1.953 122.409 120.400 0.094 0.000 2.530 291 K HA 0.350 4.690 4.320 0.034 0.000 0.280 291 K C 1.246 177.957 176.600 0.185 0.000 1.004 291 K CA 1.145 57.519 56.287 0.144 0.000 1.071 291 K CB 0.049 32.641 32.500 0.152 0.000 0.876 291 K HN 1.458 nan 8.250 nan 0.000 0.487 292 G N 1.863 110.729 108.800 0.109 0.000 2.234 292 G HA2 -0.306 3.674 3.960 0.034 0.000 0.235 292 G HA3 -0.306 3.674 3.960 0.034 0.000 0.235 292 G C 0.574 175.509 174.900 0.058 0.000 0.997 292 G CA 0.060 45.200 45.100 0.066 0.000 0.623 292 G HN 1.256 nan 8.290 nan 0.000 0.514 293 A N -1.336 121.534 122.820 0.082 0.000 2.847 293 A HA -0.186 4.154 4.320 0.034 0.000 0.263 293 A C 1.469 179.101 177.584 0.081 0.000 1.391 293 A CA 2.543 54.636 52.037 0.093 0.000 0.866 293 A CB -1.432 17.620 19.000 0.087 0.000 1.057 293 A HN 0.980 nan 8.150 nan 0.000 0.673 294 K N -0.758 119.660 120.400 0.030 0.000 2.372 294 K HA 0.377 4.718 4.320 0.034 0.000 0.200 294 K C 0.888 177.386 176.600 -0.170 0.000 1.022 294 K CA 1.011 57.275 56.287 -0.038 0.000 1.125 294 K CB 0.532 33.001 32.500 -0.052 0.000 0.855 294 K HN 1.061 nan 8.250 nan 0.000 0.524 295 G N 0.062 108.806 108.800 -0.094 0.000 2.687 295 G HA2 0.545 4.525 3.960 0.034 0.000 0.291 295 G HA3 0.545 4.525 3.960 0.034 0.000 0.291 295 G C -1.299 173.673 174.900 0.119 0.000 1.420 295 G CA -0.460 44.546 45.100 -0.156 0.000 0.796 295 G HN 0.049 nan 8.290 nan 0.000 0.485 296 S N -2.145 113.684 115.700 0.214 0.000 2.578 296 S HA 0.630 5.121 4.470 0.034 0.000 0.272 296 S C -1.738 173.008 174.600 0.243 0.000 1.145 296 S CA -0.699 57.674 58.200 0.289 0.000 0.835 296 S CB 1.613 65.040 63.200 0.378 0.000 1.104 296 S HN 1.196 nan 8.310 nan 0.000 0.458 297 V N 1.883 121.950 119.914 0.255 0.000 2.407 297 V HA 0.656 4.796 4.120 0.034 0.000 0.291 297 V C -0.365 175.833 176.094 0.174 0.000 1.018 297 V CA -0.252 62.179 62.300 0.218 0.000 0.842 297 V CB 1.460 33.460 31.823 0.294 0.000 0.996 297 V HN 1.035 nan 8.190 nan 0.000 0.426 298 T N 5.234 119.872 114.554 0.140 0.000 2.823 298 T HA 0.528 4.899 4.350 0.034 0.000 0.279 298 T C -0.544 174.214 174.700 0.097 0.000 0.998 298 T CA -0.545 61.623 62.100 0.113 0.000 0.994 298 T CB 1.548 70.488 68.868 0.120 0.000 0.960 298 T HN 0.650 nan 8.240 nan 0.000 0.448 299 Q N 1.955 121.808 119.800 0.089 0.000 2.312 299 Q HA 0.573 4.933 4.340 0.034 0.000 0.263 299 Q C -0.817 175.214 176.000 0.050 0.000 0.995 299 Q CA -0.650 55.200 55.803 0.077 0.000 0.853 299 Q CB 2.345 31.159 28.738 0.126 0.000 1.300 299 Q HN 0.592 nan 8.270 nan 0.000 0.448 300 I N 4.380 124.958 120.570 0.012 0.000 2.502 300 I HA 0.286 4.477 4.170 0.034 0.000 0.276 300 I C -2.311 173.745 176.117 -0.102 0.000 1.057 300 I CA -2.011 59.276 61.300 -0.023 0.000 1.163 300 I CB 1.298 39.302 38.000 0.007 0.000 1.288 300 I HN 0.255 nan 8.210 nan 0.000 0.479 301 P HA 0.285 nan 4.420 nan 0.000 0.282 301 P C -0.565 176.576 177.300 -0.265 0.000 1.249 301 P CA -0.301 62.604 63.100 -0.326 0.000 0.806 301 P CB 1.769 33.034 31.700 -0.725 0.000 0.984 302 I N 3.931 124.356 120.570 -0.242 0.000 2.342 302 I HA 0.245 4.436 4.170 0.034 0.000 0.291 302 I C 0.450 176.397 176.117 -0.283 0.000 1.010 302 I CA -0.535 60.627 61.300 -0.229 0.000 1.308 302 I CB 0.655 38.542 38.000 -0.188 0.000 1.400 302 I HN 0.215 nan 8.210 nan 0.000 0.488 303 L N 5.683 126.722 121.223 -0.307 0.000 2.337 303 L HA 0.331 4.692 4.340 0.034 0.000 0.269 303 L C 0.191 176.748 176.870 -0.520 0.000 1.018 303 L CA -0.200 54.436 54.840 -0.339 0.000 0.876 303 L CB 1.258 43.175 42.059 -0.237 0.000 1.236 303 L HN 0.489 nan 8.230 nan 0.000 0.436 304 S N 4.162 119.590 115.700 -0.454 0.000 2.442 304 S HA 0.575 5.066 4.470 0.034 0.000 0.297 304 S C 0.178 174.583 174.600 -0.325 0.000 1.131 304 S CA -0.787 57.129 58.200 -0.475 0.000 1.092 304 S CB 0.671 63.563 63.200 -0.512 0.000 0.998 304 S HN 0.384 nan 8.310 nan 0.000 0.478 305 M N 5.756 125.158 119.600 -0.331 0.000 2.219 305 M HA 0.299 4.799 4.480 0.034 0.000 0.353 305 M C -2.230 174.024 176.300 -0.076 0.000 1.304 305 M CA -2.518 52.676 55.300 -0.175 0.000 1.115 305 M CB -0.351 32.167 32.600 -0.137 0.000 1.664 305 M HN 0.381 nan 8.290 nan 0.000 0.459 306 P HA 0.129 nan 4.420 nan 0.000 0.269 306 P C 0.845 178.164 177.300 0.032 0.000 1.209 306 P CA -0.009 63.097 63.100 0.011 0.000 0.776 306 P CB 0.411 32.164 31.700 0.088 0.000 0.876 307 G N 0.414 109.232 108.800 0.031 0.000 2.777 307 G HA2 -0.011 3.970 3.960 0.034 0.000 0.211 307 G HA3 -0.011 3.970 3.960 0.034 0.000 0.211 307 G C -0.188 174.753 174.900 0.069 0.000 1.149 307 G CA 0.361 45.488 45.100 0.046 0.000 0.785 307 G HN 0.538 nan 8.290 nan 0.000 0.536 308 D N -0.051 120.410 120.400 0.101 0.000 2.323 308 D HA 0.100 4.761 4.640 0.034 0.000 0.242 308 D C 0.376 176.752 176.300 0.126 0.000 1.347 308 D CA -0.633 53.433 54.000 0.109 0.000 0.988 308 D CB 0.953 41.827 40.800 0.123 0.000 1.314 308 D HN 0.054 nan 8.370 nan 0.000 0.564 309 D N 3.304 123.760 120.400 0.093 0.000 2.371 309 D HA -0.129 4.532 4.640 0.034 0.000 0.221 309 D C 1.665 177.993 176.300 0.046 0.000 0.986 309 D CA 0.094 54.147 54.000 0.089 0.000 0.899 309 D CB 0.210 41.060 40.800 0.084 0.000 0.902 309 D HN 0.315 nan 8.370 nan 0.000 0.530 310 I N 1.628 122.215 120.570 0.029 0.000 2.179 310 I HA -0.188 4.003 4.170 0.034 0.000 0.242 310 I C 2.415 178.499 176.117 -0.055 0.000 1.088 310 I CA 1.797 63.093 61.300 -0.007 0.000 1.357 310 I CB -1.492 36.506 38.000 -0.002 0.000 1.051 310 I HN 0.280 nan 8.210 nan 0.000 0.409 311 T N -2.450 112.055 114.554 -0.082 0.000 3.044 311 T HA 0.047 4.418 4.350 0.034 0.000 0.255 311 T C 0.811 175.226 174.700 -0.475 0.000 1.073 311 T CA 0.409 62.351 62.100 -0.265 0.000 1.125 311 T CB -0.099 68.594 68.868 -0.292 0.000 0.908 311 T HN 0.259 nan 8.240 nan 0.000 0.480 312 H N 2.249 121.327 119.070 0.014 0.000 2.854 312 H HA 0.405 4.982 4.556 0.034 0.000 0.275 312 H C -3.004 172.368 175.328 0.074 0.000 1.198 312 H CA -2.245 53.827 56.048 0.040 0.000 1.489 312 H CB 1.223 31.022 29.762 0.061 0.000 1.519 312 H HN 0.261 nan 8.280 nan 0.000 0.503 313 P HA 0.035 nan 4.420 nan 0.000 0.269 313 P C 0.518 178.009 177.300 0.318 0.000 1.215 313 P CA -0.217 62.980 63.100 0.163 0.000 0.780 313 P CB 1.080 32.811 31.700 0.050 0.000 0.898 314 I N 4.013 124.723 120.570 0.232 0.000 2.494 314 I HA 0.120 4.311 4.170 0.034 0.000 0.289 314 I C -1.504 174.740 176.117 0.211 0.000 1.106 314 I CA -1.442 59.971 61.300 0.187 0.000 1.369 314 I CB -0.065 38.012 38.000 0.128 0.000 1.410 314 I HN 0.230 nan 8.210 nan 0.000 0.523 315 P HA 0.114 nan 4.420 nan 0.000 0.282 315 P C -0.936 176.371 177.300 0.012 0.000 1.249 315 P CA -0.434 62.577 63.100 -0.148 0.000 0.806 315 P CB 1.083 32.438 31.700 -0.576 0.000 0.984 316 D N 2.342 122.806 120.400 0.107 0.000 2.422 316 D HA 0.112 4.773 4.640 0.034 0.000 0.227 316 D C 0.378 176.787 176.300 0.183 0.000 1.190 316 D CA -0.104 53.992 54.000 0.160 0.000 0.905 316 D CB -0.344 40.559 40.800 0.172 0.000 1.034 316 D HN 0.227 nan 8.370 nan 0.000 0.507 317 L N 2.805 124.111 121.223 0.138 0.000 2.741 317 L HA 0.077 4.437 4.340 0.034 0.000 0.237 317 L C 1.968 178.942 176.870 0.173 0.000 1.178 317 L CA -0.127 54.814 54.840 0.169 0.000 0.973 317 L CB -0.104 42.025 42.059 0.118 0.000 1.255 317 L HN 0.322 nan 8.230 nan 0.000 0.498 318 S N -0.684 115.090 115.700 0.122 0.000 2.474 318 S HA -0.097 4.394 4.470 0.034 0.000 0.235 318 S C 2.041 176.627 174.600 -0.024 0.000 0.997 318 S CA 0.833 59.066 58.200 0.055 0.000 0.949 318 S CB -0.394 62.817 63.200 0.020 0.000 0.766 318 S HN 0.464 nan 8.310 nan 0.000 0.517 319 G N -0.031 108.761 108.800 -0.013 0.000 2.462 319 G HA2 -0.199 3.782 3.960 0.034 0.000 0.220 319 G HA3 -0.199 3.782 3.960 0.034 0.000 0.220 319 G C 1.088 175.482 174.900 -0.844 0.000 1.121 319 G CA 0.641 45.592 45.100 -0.247 0.000 0.758 319 G HN 0.643 nan 8.290 nan 0.000 0.559 320 Y N 0.172 120.192 120.300 -0.467 0.000 2.546 320 Y HA 0.314 4.879 4.550 0.024 0.000 0.287 320 Y C 0.961 176.699 175.900 -0.270 0.000 1.158 320 Y CA -0.097 57.754 58.100 -0.415 0.000 1.307 320 Y CB 0.328 38.741 38.460 -0.079 0.000 1.036 320 Y HN 0.047 nan 8.280 nan 0.000 0.532 321 I N 0.869 121.397 120.570 -0.070 0.000 2.523 321 I HA 0.101 4.291 4.170 0.034 0.000 0.281 321 I C 0.712 176.778 176.117 -0.086 0.000 1.126 321 I CA 0.050 61.329 61.300 -0.035 0.000 1.187 321 I CB 0.369 38.360 38.000 -0.014 0.000 1.478 321 I HN 0.035 nan 8.210 nan 0.000 0.522 322 T N -1.476 113.020 114.554 -0.097 0.000 3.003 322 T HA 0.252 4.622 4.350 0.034 0.000 0.261 322 T C 0.871 175.538 174.700 -0.055 0.000 1.003 322 T CA -0.027 62.018 62.100 -0.093 0.000 0.917 322 T CB 0.168 68.959 68.868 -0.129 0.000 1.084 322 T HN 0.424 nan 8.240 nan 0.000 0.522 323 E N 0.695 120.875 120.200 -0.034 0.000 2.758 323 E HA 0.511 4.882 4.350 0.034 0.000 0.215 323 E C 0.700 177.295 176.600 -0.008 0.000 0.985 323 E CA -0.315 56.075 56.400 -0.017 0.000 1.102 323 E CB 1.240 30.936 29.700 -0.005 0.000 1.042 323 E HN 0.634 nan 8.360 nan 0.000 0.480 324 G N 1.975 110.767 108.800 -0.013 0.000 2.373 324 G HA2 -0.032 3.948 3.960 0.034 0.000 0.634 324 G HA3 -0.032 3.948 3.960 0.034 0.000 0.634 324 G C -1.617 173.285 174.900 0.003 0.000 1.267 324 G CA -0.601 44.494 45.100 -0.008 0.000 1.008 324 G HN 0.070 nan 8.290 nan 0.000 0.497 325 Q N -1.097 118.711 119.800 0.012 0.000 2.578 325 Q HA 0.615 4.976 4.340 0.034 0.000 0.284 325 Q C -1.720 174.314 176.000 0.056 0.000 0.960 325 Q CA -0.867 54.956 55.803 0.034 0.000 0.809 325 Q CB 1.328 30.073 28.738 0.012 0.000 1.462 325 Q HN 1.065 nan 8.270 nan 0.000 0.392 326 I N 1.430 122.049 120.570 0.081 0.000 2.330 326 I HA 0.365 4.556 4.170 0.034 0.000 0.289 326 I C -0.409 175.781 176.117 0.123 0.000 1.001 326 I CA -1.102 60.252 61.300 0.091 0.000 1.193 326 I CB 1.907 39.953 38.000 0.076 0.000 1.345 326 I HN 0.336 nan 8.210 nan 0.000 0.461 327 V N 7.605 127.593 119.914 0.124 0.000 2.364 327 V HA 0.241 4.381 4.120 0.034 0.000 0.272 327 V C 0.209 176.387 176.094 0.140 0.000 1.036 327 V CA -0.634 61.761 62.300 0.158 0.000 0.880 327 V CB 1.491 33.388 31.823 0.122 0.000 0.991 327 V HN 0.371 nan 8.190 nan 0.000 0.460 328 V N 4.795 124.797 119.914 0.148 0.000 2.432 328 V HA 0.733 4.873 4.120 0.034 0.000 0.275 328 V C 0.506 176.674 176.094 0.123 0.000 1.043 328 V CA -0.212 62.156 62.300 0.113 0.000 0.925 328 V CB 1.278 33.164 31.823 0.106 0.000 0.985 328 V HN 0.977 nan 8.190 nan 0.000 0.466 329 A N 4.830 127.717 122.820 0.113 0.000 2.355 329 A HA 0.627 4.967 4.320 0.034 0.000 0.317 329 A C 0.853 178.514 177.584 0.129 0.000 1.094 329 A CA -0.727 51.382 52.037 0.121 0.000 0.764 329 A CB 1.263 20.335 19.000 0.122 0.000 1.230 329 A HN 0.809 nan 8.150 nan 0.000 0.448 330 R N 0.776 121.351 120.500 0.124 0.000 2.092 330 R HA -0.134 4.226 4.340 0.034 0.000 0.231 330 R C 1.747 178.134 176.300 0.145 0.000 1.119 330 R CA 1.646 57.833 56.100 0.145 0.000 0.970 330 R CB -0.006 30.364 30.300 0.117 0.000 0.864 330 R HN 0.963 nan 8.270 nan 0.000 0.440 331 E N 1.329 121.597 120.200 0.113 0.000 2.070 331 E HA -0.215 4.156 4.350 0.034 0.000 0.197 331 E C 1.975 178.636 176.600 0.103 0.000 1.004 331 E CA 1.218 57.675 56.400 0.094 0.000 0.805 331 E CB -0.034 29.714 29.700 0.080 0.000 0.744 331 E HN 0.276 nan 8.360 nan 0.000 0.451 332 L N -0.264 121.034 121.223 0.124 0.000 2.093 332 L HA -0.167 4.193 4.340 0.034 0.000 0.208 332 L C 2.707 179.657 176.870 0.134 0.000 1.085 332 L CA 1.384 56.295 54.840 0.119 0.000 0.755 332 L CB -0.527 41.603 42.059 0.119 0.000 0.904 332 L HN 0.285 nan 8.230 nan 0.000 0.435 333 H N 0.573 119.682 119.070 0.065 0.000 2.321 333 H HA -0.124 4.453 4.556 0.036 0.000 0.300 333 H C 2.391 177.751 175.328 0.055 0.000 1.087 333 H CA 1.719 57.808 56.048 0.068 0.000 1.319 333 H CB 0.104 29.910 29.762 0.072 0.000 1.379 333 H HN 0.055 nan 8.280 nan 0.000 0.501 334 R N 0.155 120.668 120.500 0.021 0.000 2.127 334 R HA -0.073 4.288 4.340 0.034 0.000 0.238 334 R C 1.890 178.162 176.300 -0.047 0.000 1.134 334 R CA 1.563 57.641 56.100 -0.037 0.000 0.975 334 R CB 0.004 30.322 30.300 0.030 0.000 0.865 334 R HN 0.314 nan 8.270 nan 0.000 0.447 335 K N -0.593 119.801 120.400 -0.011 0.000 2.487 335 K HA 0.079 4.420 4.320 0.034 0.000 0.192 335 K C 0.644 177.232 176.600 -0.020 0.000 1.027 335 K CA 0.536 56.820 56.287 -0.005 0.000 1.054 335 K CB 0.705 33.220 32.500 0.024 0.000 0.824 335 K HN 0.375 nan 8.250 nan 0.000 0.510 336 G N 1.867 110.634 108.800 -0.055 0.000 2.137 336 G HA2 -0.251 3.730 3.960 0.034 0.000 0.237 336 G HA3 -0.251 3.730 3.960 0.034 0.000 0.237 336 G C -0.037 174.870 174.900 0.012 0.000 1.002 336 G CA -0.273 44.796 45.100 -0.051 0.000 0.702 336 G HN 0.236 nan 8.290 nan 0.000 0.515 337 I N 0.367 120.963 120.570 0.043 0.000 2.321 337 I HA 0.521 4.711 4.170 0.034 0.000 0.291 337 I C 0.017 176.217 176.117 0.139 0.000 0.998 337 I CA -1.191 60.149 61.300 0.066 0.000 1.227 337 I CB 1.139 39.160 38.000 0.035 0.000 1.368 337 I HN 0.179 nan 8.210 nan 0.000 0.466 338 Y N 9.162 129.474 120.300 0.021 0.000 2.429 338 Y HA 0.565 5.135 4.550 0.033 0.000 0.342 338 Y C -2.611 173.282 175.900 -0.013 0.000 1.004 338 Y CA -2.702 55.417 58.100 0.031 0.000 1.075 338 Y CB 1.962 40.444 38.460 0.037 0.000 1.214 338 Y HN 0.333 nan 8.280 nan 0.000 0.455 339 P HA 0.188 nan 4.420 nan 0.000 0.276 339 P C -2.684 174.422 177.300 -0.323 0.000 1.230 339 P CA -1.740 60.728 63.100 -1.054 0.000 0.776 339 P CB 0.542 31.705 31.700 -0.895 0.000 0.888 340 P HA 0.224 nan 4.420 nan 0.000 0.220 340 P C -0.424 176.893 177.300 0.028 0.000 1.806 340 P CA 0.139 63.253 63.100 0.025 0.000 0.976 340 P CB -0.312 31.474 31.700 0.144 0.000 1.952 341 I N 1.753 122.321 120.570 -0.004 0.000 2.315 341 I HA 0.205 4.396 4.170 0.034 0.000 0.291 341 I C 0.780 176.963 176.117 0.109 0.000 1.006 341 I CA -0.617 60.710 61.300 0.045 0.000 1.265 341 I CB 0.735 38.744 38.000 0.014 0.000 1.387 341 I HN -0.009 nan 8.210 nan 0.000 0.475 342 N N 6.199 124.984 118.700 0.141 0.000 2.437 342 N HA 0.080 4.841 4.740 0.034 0.000 0.243 342 N C 0.828 176.460 175.510 0.203 0.000 1.041 342 N CA -0.366 52.801 53.050 0.195 0.000 0.940 342 N CB 1.543 40.128 38.487 0.163 0.000 1.133 342 N HN 0.507 nan 8.380 nan 0.000 0.506 343 V N 3.074 123.147 119.914 0.266 0.000 2.759 343 V HA -0.121 4.019 4.120 0.034 0.000 0.256 343 V C 1.861 178.096 176.094 0.235 0.000 1.080 343 V CA 1.213 63.669 62.300 0.261 0.000 1.101 343 V CB -0.701 31.316 31.823 0.324 0.000 0.698 343 V HN 0.541 nan 8.190 nan 0.000 0.477 344 L N 0.670 121.970 121.223 0.128 0.000 2.027 344 L HA 0.011 4.372 4.340 0.034 0.000 0.206 344 L C 0.460 177.431 176.870 0.168 0.000 1.074 344 L CA 1.799 56.640 54.840 0.002 0.000 0.745 344 L CB -1.805 40.142 42.059 -0.185 0.000 0.898 344 L HN 0.404 nan 8.230 nan 0.000 0.433 345 P HA 0.043 nan 4.420 nan 0.000 0.245 345 P C 0.403 177.749 177.300 0.077 0.000 1.206 345 P CA 0.375 63.521 63.100 0.077 0.000 0.781 345 P CB 0.267 31.985 31.700 0.031 0.000 0.994 346 S N 0.527 116.303 115.700 0.126 0.000 2.603 346 S HA 0.429 4.920 4.470 0.034 0.000 0.268 346 S C -0.115 174.550 174.600 0.108 0.000 1.317 346 S CA -0.058 58.208 58.200 0.111 0.000 1.012 346 S CB 0.318 63.601 63.200 0.138 0.000 0.926 346 S HN 0.060 nan 8.310 nan 0.000 0.539 347 L N 1.505 122.766 121.223 0.064 0.000 2.526 347 L HA 0.535 4.895 4.340 0.034 0.000 0.263 347 L C -0.797 176.090 176.870 0.029 0.000 0.943 347 L CA -0.084 54.773 54.840 0.029 0.000 0.859 347 L CB 2.138 44.196 42.059 -0.002 0.000 1.313 347 L HN 0.573 nan 8.230 nan 0.000 0.406 348 S N 3.749 119.462 115.700 0.023 0.000 2.438 348 S HA 0.480 4.971 4.470 0.034 0.000 0.316 348 S C 0.973 175.567 174.600 -0.010 0.000 1.084 348 S CA -0.513 57.695 58.200 0.013 0.000 1.107 348 S CB 0.735 63.953 63.200 0.030 0.000 0.981 348 S HN 0.791 nan 8.310 nan 0.000 0.466 349 R N 3.427 123.920 120.500 -0.013 0.000 2.237 349 R HA 0.112 4.472 4.340 0.034 0.000 0.219 349 R C 0.850 177.137 176.300 -0.023 0.000 1.080 349 R CA 0.982 57.068 56.100 -0.025 0.000 0.995 349 R CB -0.125 30.160 30.300 -0.025 0.000 0.875 349 R HN 0.617 nan 8.270 nan 0.000 0.462 350 L N -0.026 121.189 121.223 -0.012 0.000 2.728 350 L HA 0.208 4.569 4.340 0.034 0.000 0.238 350 L C 2.032 178.893 176.870 -0.015 0.000 1.143 350 L CA -0.238 54.597 54.840 -0.010 0.000 0.937 350 L CB -0.057 42.004 42.059 0.004 0.000 1.225 350 L HN 0.144 nan 8.230 nan 0.000 0.507 351 M N 0.830 120.414 119.600 -0.026 0.000 2.108 351 M HA -0.259 4.242 4.480 0.034 0.000 0.257 351 M C 1.637 177.883 176.300 -0.091 0.000 1.071 351 M CA 2.002 57.272 55.300 -0.050 0.000 1.093 351 M CB -0.068 32.494 32.600 -0.064 0.000 1.345 351 M HN 0.301 nan 8.290 nan 0.000 0.403 352 N N 0.240 118.891 118.700 -0.083 0.000 2.364 352 N HA -0.076 4.684 4.740 0.034 0.000 0.183 352 N C 1.423 176.893 175.510 -0.067 0.000 1.022 352 N CA 1.515 54.511 53.050 -0.090 0.000 0.883 352 N CB -0.335 38.112 38.487 -0.067 0.000 0.965 352 N HN 0.412 nan 8.380 nan 0.000 0.438 353 S N -0.955 114.721 115.700 -0.040 0.000 2.561 353 S HA 0.102 4.593 4.470 0.034 0.000 0.225 353 S C 1.579 176.174 174.600 -0.008 0.000 0.977 353 S CA 0.553 58.743 58.200 -0.017 0.000 0.926 353 S CB 0.235 63.434 63.200 -0.000 0.000 0.769 353 S HN 0.486 nan 8.310 nan 0.000 0.533 354 G N 1.198 109.985 108.800 -0.022 0.000 3.596 354 G HA2 0.474 4.455 3.960 0.034 0.000 0.274 354 G HA3 0.474 4.455 3.960 0.034 0.000 0.274 354 G C 0.186 175.039 174.900 -0.080 0.000 1.007 354 G CA -0.382 44.728 45.100 0.017 0.000 0.825 354 G HN 0.509 nan 8.290 nan 0.000 0.508 355 I N -3.670 116.803 120.570 -0.163 0.000 3.145 355 I HA 0.922 5.112 4.170 0.034 0.000 0.313 355 I C 0.418 176.441 176.117 -0.156 0.000 1.122 355 I CA -0.633 60.504 61.300 -0.271 0.000 0.987 355 I CB 2.223 39.871 38.000 -0.586 0.000 1.236 355 I HN 0.376 nan 8.210 nan 0.000 0.453 356 G N 1.652 110.380 108.800 -0.120 0.000 2.526 356 G HA2 0.287 4.268 3.960 0.034 0.000 0.250 356 G HA3 0.287 4.268 3.960 0.034 0.000 0.250 356 G C -0.313 174.571 174.900 -0.026 0.000 1.289 356 G CA -0.366 44.699 45.100 -0.059 0.000 0.947 356 G HN 1.667 nan 8.290 nan 0.000 0.517 357 A N -0.300 122.525 122.820 0.010 0.000 2.566 357 A HA 0.580 4.921 4.320 0.034 0.000 0.245 357 A C 2.134 179.732 177.584 0.024 0.000 1.056 357 A CA 2.508 54.564 52.037 0.032 0.000 0.757 357 A CB -0.522 18.514 19.000 0.059 0.000 0.979 357 A HN 2.951 nan 8.150 nan 0.000 0.508 358 G N 2.041 110.857 108.800 0.027 0.000 2.179 358 G HA2 -0.277 3.704 3.960 0.034 0.000 0.260 358 G HA3 -0.277 3.704 3.960 0.034 0.000 0.260 358 G C 0.764 175.683 174.900 0.031 0.000 0.977 358 G CA 1.044 46.163 45.100 0.032 0.000 0.641 358 G HN 0.830 nan 8.290 nan 0.000 0.533 359 K N -1.358 119.047 120.400 0.008 0.000 2.509 359 K HA 0.238 4.579 4.320 0.034 0.000 0.205 359 K C 2.204 178.765 176.600 -0.066 0.000 1.336 359 K CA 1.135 57.425 56.287 0.006 0.000 0.912 359 K CB 0.108 32.599 32.500 -0.016 0.000 1.568 359 K HN 0.435 nan 8.250 nan 0.000 0.475 360 T N -1.053 113.411 114.554 -0.150 0.000 2.638 360 T HA 0.344 4.715 4.350 0.034 0.000 0.169 360 T C 0.071 174.713 174.700 -0.097 0.000 0.790 360 T CA -0.451 61.523 62.100 -0.211 0.000 1.151 360 T CB 0.406 69.098 68.868 -0.293 0.000 2.581 360 T HN -0.009 nan 8.240 nan 0.000 0.391 361 R N 0.687 121.136 120.500 -0.085 0.000 2.707 361 R HA 0.309 4.669 4.340 0.034 0.000 0.272 361 R C 1.122 177.367 176.300 -0.093 0.000 1.011 361 R CA -0.229 55.821 56.100 -0.083 0.000 0.893 361 R CB 1.742 31.957 30.300 -0.141 0.000 1.233 361 R HN 0.743 nan 8.270 nan 0.000 0.464 362 E N 1.187 121.351 120.200 -0.059 0.000 2.160 362 E HA -0.239 4.132 4.350 0.034 0.000 0.195 362 E C 0.156 176.548 176.600 -0.346 0.000 0.991 362 E CA 1.804 58.172 56.400 -0.053 0.000 0.810 362 E CB -0.026 29.771 29.700 0.162 0.000 0.742 362 E HN 0.643 nan 8.360 nan 0.000 0.466 363 D N -0.034 120.059 120.400 -0.511 0.000 2.340 363 D HA -0.125 4.535 4.640 0.034 0.000 0.220 363 D C 1.556 177.644 176.300 -0.354 0.000 1.039 363 D CA 0.240 53.800 54.000 -0.733 0.000 0.866 363 D CB -0.611 39.857 40.800 -0.553 0.000 0.913 363 D HN 0.501 nan 8.370 nan 0.000 0.523 364 H N 1.091 119.962 119.070 -0.332 0.000 2.293 364 H HA -0.114 4.462 4.556 0.034 0.000 0.300 364 H C 2.116 177.326 175.328 -0.196 0.000 1.082 364 H CA 1.695 57.600 56.048 -0.239 0.000 1.308 364 H CB 0.360 29.990 29.762 -0.221 0.000 1.375 364 H HN 0.032 nan 8.280 nan 0.000 0.495 365 K N 0.204 120.581 120.400 -0.038 0.000 2.057 365 K HA -0.140 4.201 4.320 0.034 0.000 0.207 365 K C 2.295 178.866 176.600 -0.049 0.000 1.049 365 K CA 1.068 57.312 56.287 -0.072 0.000 0.931 365 K CB -0.188 32.262 32.500 -0.083 0.000 0.714 365 K HN 0.343 nan 8.250 nan 0.000 0.440 366 A N 0.611 123.386 122.820 -0.075 0.000 1.877 366 A HA -0.111 4.229 4.320 0.034 0.000 0.216 366 A C 2.249 179.765 177.584 -0.114 0.000 1.186 366 A CA 1.706 53.718 52.037 -0.041 0.000 0.620 366 A CB -0.709 18.316 19.000 0.041 0.000 0.822 366 A HN 0.172 nan 8.150 nan 0.000 0.443 367 V N -0.307 119.477 119.914 -0.217 0.000 2.343 367 V HA -0.219 3.922 4.120 0.034 0.000 0.247 367 V C 2.838 178.821 176.094 -0.185 0.000 1.051 367 V CA 2.331 64.417 62.300 -0.356 0.000 1.036 367 V CB -0.823 30.682 31.823 -0.530 0.000 0.654 367 V HN 0.687 nan 8.190 nan 0.000 0.451 368 S N -0.123 115.544 115.700 -0.056 0.000 2.353 368 S HA -0.261 4.230 4.470 0.034 0.000 0.222 368 S C 1.806 176.415 174.600 0.015 0.000 1.035 368 S CA 2.040 60.253 58.200 0.023 0.000 1.025 368 S CB -0.503 62.760 63.200 0.104 0.000 0.902 368 S HN 0.647 nan 8.310 nan 0.000 0.440 369 D N 0.541 120.932 120.400 -0.015 0.000 2.123 369 D HA -0.109 4.552 4.640 0.034 0.000 0.196 369 D C 2.125 178.436 176.300 0.019 0.000 0.992 369 D CA 1.319 55.313 54.000 -0.010 0.000 0.833 369 D CB -0.539 40.245 40.800 -0.027 0.000 0.954 369 D HN 0.448 nan 8.370 nan 0.000 0.455 370 Q N -0.164 119.615 119.800 -0.036 0.000 2.083 370 Q HA 0.020 4.381 4.340 0.034 0.000 0.198 370 Q C 2.155 178.113 176.000 -0.070 0.000 0.969 370 Q CA 1.040 56.806 55.803 -0.061 0.000 0.838 370 Q CB -0.129 28.532 28.738 -0.127 0.000 0.900 370 Q HN 0.262 nan 8.270 nan 0.000 0.436 371 M N -1.252 118.309 119.600 -0.066 0.000 2.117 371 M HA -0.184 4.316 4.480 0.034 0.000 0.262 371 M C 1.846 178.100 176.300 -0.077 0.000 1.065 371 M CA 1.672 56.957 55.300 -0.025 0.000 1.114 371 M CB -0.517 32.029 32.600 -0.091 0.000 1.361 371 M HN 0.292 nan 8.290 nan 0.000 0.408 372 Y N 1.013 121.234 120.300 -0.132 0.000 2.097 372 Y HA -0.301 4.270 4.550 0.034 0.000 0.282 372 Y C 2.506 178.382 175.900 -0.040 0.000 1.152 372 Y CA 2.071 60.119 58.100 -0.088 0.000 1.136 372 Y CB -0.298 38.137 38.460 -0.041 0.000 0.975 372 Y HN 0.187 nan 8.280 nan 0.000 0.498 373 A N 0.015 122.967 122.820 0.219 0.000 1.902 373 A HA -0.137 4.204 4.320 0.034 0.000 0.217 373 A C 2.427 180.050 177.584 0.065 0.000 1.181 373 A CA 1.805 53.920 52.037 0.131 0.000 0.623 373 A CB -1.740 17.317 19.000 0.096 0.000 0.818 373 A HN 0.624 nan 8.150 nan 0.000 0.443 374 G N -1.935 106.897 108.800 0.054 0.000 2.418 374 G HA2 -0.249 3.732 3.960 0.034 0.000 0.217 374 G HA3 -0.249 3.732 3.960 0.034 0.000 0.217 374 G C 1.568 176.647 174.900 0.298 0.000 1.158 374 G CA 1.270 46.426 45.100 0.092 0.000 0.771 374 G HN 0.538 nan 8.290 nan 0.000 0.545 375 Y N 2.070 122.394 120.300 0.040 0.000 2.200 375 Y HA 0.114 4.685 4.550 0.034 0.000 0.290 375 Y C 2.881 178.688 175.900 -0.154 0.000 1.137 375 Y CA 0.831 58.845 58.100 -0.143 0.000 1.163 375 Y CB -0.600 37.422 38.460 -0.731 0.000 0.988 375 Y HN 0.244 nan 8.280 nan 0.000 0.518 376 A N 0.061 122.708 122.820 -0.289 0.000 1.908 376 A HA -0.258 4.083 4.320 0.034 0.000 0.218 376 A C 2.163 179.638 177.584 -0.182 0.000 1.181 376 A CA 2.086 53.931 52.037 -0.320 0.000 0.627 376 A CB -0.872 17.981 19.000 -0.245 0.000 0.818 376 A HN 0.532 nan 8.150 nan 0.000 0.445 377 E N -0.162 119.991 120.200 -0.080 0.000 2.051 377 E HA -0.038 4.333 4.350 0.034 0.000 0.192 377 E C 2.013 178.608 176.600 -0.007 0.000 0.991 377 E CA 1.644 57.998 56.400 -0.075 0.000 0.799 377 E CB -0.839 28.766 29.700 -0.159 0.000 0.748 377 E HN 0.386 nan 8.360 nan 0.000 0.449 378 G N 0.316 109.188 108.800 0.121 0.000 2.442 378 G HA2 -0.302 3.679 3.960 0.034 0.000 0.219 378 G HA3 -0.302 3.679 3.960 0.034 0.000 0.219 378 G C 1.668 176.570 174.900 0.002 0.000 1.141 378 G CA 0.910 46.100 45.100 0.151 0.000 0.763 378 G HN 0.203 nan 8.290 nan 0.000 0.554 379 R N -0.016 120.395 120.500 -0.149 0.000 2.090 379 R HA -0.008 4.353 4.340 0.034 0.000 0.228 379 R C 2.152 178.382 176.300 -0.117 0.000 1.110 379 R CA 1.167 57.148 56.100 -0.197 0.000 0.973 379 R CB -0.224 29.839 30.300 -0.396 0.000 0.869 379 R HN 0.192 nan 8.270 nan 0.000 0.440 380 D N 0.859 121.194 120.400 -0.109 0.000 2.144 380 D HA -0.116 4.545 4.640 0.034 0.000 0.199 380 D C 1.829 178.102 176.300 -0.045 0.000 0.984 380 D CA 0.992 54.947 54.000 -0.075 0.000 0.834 380 D CB -0.049 40.704 40.800 -0.078 0.000 0.955 380 D HN 0.142 nan 8.370 nan 0.000 0.465 381 L N 0.192 121.399 121.223 -0.027 0.000 2.275 381 L HA -0.063 4.298 4.340 0.034 0.000 0.215 381 L C 2.396 179.272 176.870 0.010 0.000 1.119 381 L CA 0.704 55.544 54.840 0.001 0.000 0.790 381 L CB -0.112 41.968 42.059 0.036 0.000 0.919 381 L HN -0.044 nan 8.230 nan 0.000 0.443 382 R N -0.173 120.328 120.500 0.002 0.000 2.096 382 R HA -0.113 4.248 4.340 0.034 0.000 0.235 382 R C 2.394 178.693 176.300 -0.002 0.000 1.127 382 R CA 1.230 57.333 56.100 0.005 0.000 0.968 382 R CB -0.705 29.594 30.300 -0.002 0.000 0.861 382 R HN 0.428 nan 8.270 nan 0.000 0.440 383 G N 1.491 110.282 108.800 -0.014 0.000 2.421 383 G HA2 -0.270 3.711 3.960 0.034 0.000 0.216 383 G HA3 -0.270 3.711 3.960 0.034 0.000 0.216 383 G C 1.331 176.226 174.900 -0.008 0.000 1.171 383 G CA 0.439 45.531 45.100 -0.013 0.000 0.775 383 G HN 0.172 nan 8.290 nan 0.000 0.543 384 L N 0.847 122.065 121.223 -0.008 0.000 2.042 384 L HA -0.027 4.334 4.340 0.034 0.000 0.210 384 L C 2.940 179.813 176.870 0.004 0.000 1.076 384 L CA 1.355 56.193 54.840 -0.004 0.000 0.749 384 L CB -0.509 41.546 42.059 -0.007 0.000 0.893 384 L HN 0.086 nan 8.230 nan 0.000 0.432 385 V N 0.040 119.960 119.914 0.010 0.000 2.392 385 V HA -0.302 3.838 4.120 0.034 0.000 0.249 385 V C 2.573 178.674 176.094 0.011 0.000 1.059 385 V CA 1.678 63.987 62.300 0.015 0.000 1.051 385 V CB -1.240 30.596 31.823 0.022 0.000 0.658 385 V HN 0.615 nan 8.190 nan 0.000 0.455 386 A N -1.385 121.440 122.820 0.008 0.000 2.238 386 A HA 0.160 4.501 4.320 0.034 0.000 0.208 386 A C 1.984 179.571 177.584 0.004 0.000 1.177 386 A CA 0.722 52.763 52.037 0.006 0.000 0.804 386 A CB -0.276 18.727 19.000 0.005 0.000 0.823 386 A HN 0.553 nan 8.150 nan 0.000 0.482 387 I N -1.046 119.526 120.570 0.003 0.000 2.899 387 I HA -0.043 4.148 4.170 0.034 0.000 0.257 387 I C 1.983 178.102 176.117 0.003 0.000 1.115 387 I CA 1.055 62.355 61.300 0.002 0.000 1.451 387 I CB 0.331 38.330 38.000 -0.002 0.000 1.251 387 I HN 0.200 nan 8.210 nan 0.000 0.456 388 V N -1.871 118.046 119.914 0.005 0.000 3.661 388 V HA 0.607 4.747 4.120 0.034 0.000 0.271 388 V C 0.769 176.868 176.094 0.009 0.000 1.315 388 V CA 0.189 62.493 62.300 0.006 0.000 1.072 388 V CB -0.425 31.401 31.823 0.005 0.000 0.830 388 V HN 0.456 nan 8.190 nan 0.000 0.443 389 G N 0.893 109.699 108.800 0.011 0.000 2.712 389 G HA2 -0.174 3.807 3.960 0.034 0.000 0.686 389 G HA3 -0.174 3.807 3.960 0.034 0.000 0.686 389 G C 0.081 174.991 174.900 0.018 0.000 1.181 389 G CA 0.115 45.223 45.100 0.014 0.000 0.762 389 G HN 0.416 nan 8.290 nan 0.000 0.641 390 K N 0.056 120.468 120.400 0.021 0.000 2.103 390 K HA -0.110 4.231 4.320 0.034 0.000 0.207 390 K C 1.966 178.583 176.600 0.029 0.000 1.048 390 K CA 1.929 58.233 56.287 0.027 0.000 0.930 390 K CB -0.052 32.465 32.500 0.029 0.000 0.716 390 K HN 0.490 nan 8.250 nan 0.000 0.444 391 E N -0.249 119.966 120.200 0.024 0.000 2.418 391 E HA -0.079 4.292 4.350 0.034 0.000 0.197 391 E C 1.383 177.996 176.600 0.022 0.000 1.026 391 E CA 0.670 57.084 56.400 0.024 0.000 0.862 391 E CB 0.180 29.892 29.700 0.020 0.000 0.799 391 E HN 0.388 nan 8.360 nan 0.000 0.518 392 A N 0.394 123.226 122.820 0.020 0.000 2.178 392 A HA 0.078 4.418 4.320 0.034 0.000 0.211 392 A C 0.983 178.578 177.584 0.019 0.000 1.157 392 A CA -0.154 51.893 52.037 0.017 0.000 0.780 392 A CB -0.029 18.979 19.000 0.013 0.000 0.828 392 A HN 0.093 nan 8.150 nan 0.000 0.476 393 L N 1.488 122.727 121.223 0.026 0.000 2.426 393 L HA 0.189 4.550 4.340 0.034 0.000 0.271 393 L C 1.245 178.136 176.870 0.036 0.000 1.169 393 L CA 0.462 55.321 54.840 0.031 0.000 0.836 393 L CB 0.924 43.009 42.059 0.043 0.000 1.112 393 L HN 0.380 nan 8.230 nan 0.000 0.465 394 S N 2.120 117.840 115.700 0.034 0.000 2.580 394 S HA 0.070 4.560 4.470 0.034 0.000 0.266 394 S C 1.023 175.656 174.600 0.054 0.000 1.354 394 S CA -0.528 57.694 58.200 0.037 0.000 1.008 394 S CB 0.574 63.792 63.200 0.030 0.000 0.898 394 S HN 0.607 nan 8.310 nan 0.000 0.555 395 E N 1.296 121.525 120.200 0.050 0.000 2.070 395 E HA -0.199 4.172 4.350 0.034 0.000 0.197 395 E C 2.112 178.761 176.600 0.082 0.000 1.004 395 E CA 1.097 57.531 56.400 0.056 0.000 0.805 395 E CB -0.442 29.282 29.700 0.040 0.000 0.744 395 E HN 0.701 nan 8.360 nan 0.000 0.451 396 R N 1.220 121.774 120.500 0.090 0.000 2.073 396 R HA -0.153 4.207 4.340 0.034 0.000 0.234 396 R C 1.451 177.893 176.300 0.236 0.000 1.134 396 R CA 1.650 57.840 56.100 0.149 0.000 0.952 396 R CB -0.335 30.035 30.300 0.117 0.000 0.850 396 R HN 0.052 nan 8.270 nan 0.000 0.433 397 D N -0.217 120.273 120.400 0.152 0.000 2.144 397 D HA -0.093 4.568 4.640 0.034 0.000 0.199 397 D C 1.707 178.129 176.300 0.203 0.000 0.984 397 D CA 1.657 55.751 54.000 0.156 0.000 0.834 397 D CB -0.340 40.499 40.800 0.065 0.000 0.955 397 D HN 0.277 nan 8.370 nan 0.000 0.465 398 T N 1.039 115.687 114.554 0.156 0.000 2.788 398 T HA -0.120 4.251 4.350 0.034 0.000 0.268 398 T C 1.786 176.607 174.700 0.201 0.000 1.044 398 T CA 0.917 63.108 62.100 0.151 0.000 1.139 398 T CB 0.074 69.009 68.868 0.111 0.000 0.867 398 T HN 0.076 nan 8.240 nan 0.000 0.454 399 K N 0.678 121.198 120.400 0.201 0.000 2.057 399 K HA 0.016 4.357 4.320 0.034 0.000 0.207 399 K C 1.924 178.646 176.600 0.203 0.000 1.049 399 K CA 1.166 57.565 56.287 0.186 0.000 0.931 399 K CB -0.652 31.852 32.500 0.006 0.000 0.714 399 K HN 0.396 nan 8.250 nan 0.000 0.440 400 F N 0.971 121.017 119.950 0.160 0.000 2.206 400 F HA -0.121 4.426 4.527 0.034 0.000 0.298 400 F C 2.316 178.236 175.800 0.201 0.000 1.090 400 F CA 0.481 58.580 58.000 0.164 0.000 1.323 400 F CB -0.579 38.457 39.000 0.060 0.000 1.028 400 F HN -0.084 nan 8.300 nan 0.000 0.492 401 L N 0.537 121.944 121.223 0.307 0.000 2.013 401 L HA -0.245 4.116 4.340 0.034 0.000 0.212 401 L C 2.135 179.108 176.870 0.171 0.000 1.073 401 L CA 1.980 56.940 54.840 0.199 0.000 0.753 401 L CB -0.681 41.464 42.059 0.144 0.000 0.890 401 L HN 0.139 nan 8.230 nan 0.000 0.432 402 E N -1.341 118.963 120.200 0.173 0.000 2.110 402 E HA -0.264 4.107 4.350 0.034 0.000 0.193 402 E C 2.050 178.654 176.600 0.007 0.000 0.988 402 E CA 1.436 57.879 56.400 0.072 0.000 0.804 402 E CB -0.340 29.420 29.700 0.101 0.000 0.745 402 E HN 0.569 nan 8.360 nan 0.000 0.458 403 F N 1.457 121.397 119.950 -0.017 0.000 2.126 403 F HA -0.237 4.310 4.527 0.034 0.000 0.299 403 F C 2.187 178.037 175.800 0.082 0.000 1.096 403 F CA 1.407 59.394 58.000 -0.023 0.000 1.255 403 F CB -0.128 38.834 39.000 -0.063 0.000 0.997 403 F HN -0.035 nan 8.300 nan 0.000 0.479 404 A N -0.089 122.838 122.820 0.179 0.000 1.933 404 A HA -0.207 4.134 4.320 0.034 0.000 0.218 404 A C 1.957 179.621 177.584 0.133 0.000 1.175 404 A CA 2.016 54.194 52.037 0.235 0.000 0.628 404 A CB -0.970 18.179 19.000 0.249 0.000 0.814 404 A HN 0.439 nan 8.150 nan 0.000 0.444 405 D N -0.031 120.397 120.400 0.046 0.000 2.117 405 D HA -0.093 4.568 4.640 0.034 0.000 0.197 405 D C 1.949 178.202 176.300 -0.078 0.000 0.987 405 D CA 0.984 54.986 54.000 0.003 0.000 0.829 405 D CB -0.301 40.493 40.800 -0.010 0.000 0.961 405 D HN 0.450 nan 8.370 nan 0.000 0.460 406 L N -0.334 120.786 121.223 -0.171 0.000 2.046 406 L HA -0.141 4.219 4.340 0.034 0.000 0.208 406 L C 2.335 179.050 176.870 -0.258 0.000 1.077 406 L CA 0.652 55.358 54.840 -0.224 0.000 0.747 406 L CB -0.370 41.518 42.059 -0.285 0.000 0.896 406 L HN -0.021 nan 8.230 nan 0.000 0.432 407 F N 1.122 120.731 119.950 -0.567 0.000 2.095 407 F HA -0.248 4.299 4.527 0.034 0.000 0.298 407 F C 2.438 178.041 175.800 -0.328 0.000 1.104 407 F CA 1.847 59.494 58.000 -0.588 0.000 1.232 407 F CB -0.084 38.380 39.000 -0.893 0.000 0.987 407 F HN 0.061 nan 8.300 nan 0.000 0.475 408 E N -0.603 119.512 120.200 -0.140 0.000 2.072 408 E HA -0.244 4.127 4.350 0.034 0.000 0.191 408 E C 1.692 178.209 176.600 -0.138 0.000 0.985 408 E CA 1.441 57.771 56.400 -0.117 0.000 0.801 408 E CB -0.294 29.434 29.700 0.047 0.000 0.750 408 E HN 0.426 nan 8.360 nan 0.000 0.452 409 D N -0.024 120.307 120.400 -0.115 0.000 2.194 409 D HA -0.087 4.574 4.640 0.034 0.000 0.204 409 D C 1.609 177.840 176.300 -0.115 0.000 0.964 409 D CA 0.947 54.891 54.000 -0.093 0.000 0.846 409 D CB 0.346 41.104 40.800 -0.070 0.000 0.962 409 D HN -0.109 nan 8.370 nan 0.000 0.490 410 K N -1.150 119.162 120.400 -0.146 0.000 2.350 410 K HA 0.080 4.421 4.320 0.034 0.000 0.196 410 K C 1.475 177.979 176.600 -0.160 0.000 1.084 410 K CA 0.113 56.324 56.287 -0.126 0.000 0.967 410 K CB -0.052 32.394 32.500 -0.090 0.000 0.950 410 K HN 0.200 nan 8.250 nan 0.000 0.512 411 F N 1.158 120.842 119.950 -0.443 0.000 2.399 411 F HA -0.002 4.545 4.527 0.034 0.000 0.282 411 F C 1.944 177.408 175.800 -0.559 0.000 1.027 411 F CA 0.420 58.082 58.000 -0.564 0.000 1.333 411 F CB -0.049 38.395 39.000 -0.927 0.000 1.132 411 F HN -0.337 nan 8.300 nan 0.000 0.590 412 V N 1.077 120.725 119.914 -0.444 0.000 2.261 412 V HA -0.181 3.960 4.120 0.034 0.000 0.246 412 V C 1.349 177.278 176.094 -0.275 0.000 1.047 412 V CA 1.373 63.468 62.300 -0.341 0.000 1.015 412 V CB -0.730 30.941 31.823 -0.254 0.000 0.642 412 V HN 0.100 nan 8.190 nan 0.000 0.446 413 R N 1.884 122.259 120.500 -0.208 0.000 2.484 413 R HA 0.160 4.521 4.340 0.034 0.000 0.293 413 R C -0.123 176.088 176.300 -0.149 0.000 1.023 413 R CA 0.275 56.294 56.100 -0.135 0.000 1.037 413 R CB 0.166 30.416 30.300 -0.083 0.000 0.951 413 R HN 0.751 nan 8.270 nan 0.000 0.418 414 Q N 2.234 121.975 119.800 -0.098 0.000 2.534 414 Q HA 0.430 4.790 4.340 0.034 0.000 0.290 414 Q C -0.845 175.186 176.000 0.052 0.000 0.991 414 Q CA -1.101 54.660 55.803 -0.069 0.000 0.783 414 Q CB 1.178 29.832 28.738 -0.139 0.000 1.470 414 Q HN 0.614 nan 8.270 nan 0.000 0.406 415 G N 0.581 109.402 108.800 0.035 0.000 2.594 415 G HA2 0.089 4.069 3.960 0.034 0.000 0.243 415 G HA3 0.089 4.069 3.960 0.034 0.000 0.243 415 G C 0.298 175.276 174.900 0.129 0.000 1.229 415 G CA -0.208 44.933 45.100 0.068 0.000 0.843 415 G HN 0.812 nan 8.290 nan 0.000 0.578 416 R N 0.399 120.950 120.500 0.085 0.000 2.139 416 R HA -0.116 4.245 4.340 0.034 0.000 0.243 416 R C 0.869 177.193 176.300 0.040 0.000 1.145 416 R CA 1.845 57.973 56.100 0.046 0.000 0.976 416 R CB -0.039 30.181 30.300 -0.133 0.000 0.866 416 R HN 0.591 nan 8.270 nan 0.000 0.449 417 N N -0.059 118.645 118.700 0.007 0.000 2.282 417 N HA 0.036 4.797 4.740 0.034 0.000 0.240 417 N C -1.266 174.234 175.510 -0.016 0.000 1.182 417 N CA -0.147 52.894 53.050 -0.015 0.000 0.874 417 N CB 1.068 39.537 38.487 -0.030 0.000 1.126 417 N HN 0.200 nan 8.380 nan 0.000 0.516 418 E N 1.301 121.497 120.200 -0.006 0.000 2.052 418 E HA 0.098 4.468 4.350 0.034 0.000 0.283 418 E C -0.812 175.765 176.600 -0.038 0.000 1.071 418 E CA -0.375 56.010 56.400 -0.025 0.000 0.851 418 E CB 0.207 29.890 29.700 -0.029 0.000 1.066 418 E HN 0.049 nan 8.360 nan 0.000 0.396 419 N N 4.817 123.492 118.700 -0.042 0.000 2.527 419 N HA 0.130 4.890 4.740 0.034 0.000 0.236 419 N C -1.249 174.230 175.510 -0.053 0.000 0.999 419 N CA -0.346 52.675 53.050 -0.048 0.000 0.935 419 N CB 0.426 38.887 38.487 -0.044 0.000 1.132 419 N HN 0.414 nan 8.380 nan 0.000 0.511 420 R N 1.248 121.707 120.500 -0.068 0.000 2.221 420 R HA 0.230 4.591 4.340 0.034 0.000 0.327 420 R C 0.497 176.770 176.300 -0.044 0.000 1.033 420 R CA -0.545 55.512 56.100 -0.071 0.000 0.887 420 R CB 0.651 30.879 30.300 -0.120 0.000 1.057 420 R HN 0.539 nan 8.270 nan 0.000 0.455 421 T N -0.096 114.444 114.554 -0.024 0.000 2.802 421 T HA 0.003 4.374 4.350 0.034 0.000 0.305 421 T C 1.400 176.112 174.700 0.019 0.000 1.053 421 T CA -0.686 61.422 62.100 0.013 0.000 1.058 421 T CB 0.636 69.513 68.868 0.015 0.000 0.988 421 T HN 0.480 nan 8.240 nan 0.000 0.539 422 I N 0.607 121.226 120.570 0.081 0.000 2.264 422 I HA -0.109 4.082 4.170 0.034 0.000 0.248 422 I C 2.453 178.522 176.117 -0.080 0.000 1.111 422 I CA 1.539 62.837 61.300 -0.004 0.000 1.382 422 I CB -0.829 37.125 38.000 -0.076 0.000 1.060 422 I HN 0.972 nan 8.210 nan 0.000 0.418 423 E N 0.125 120.302 120.200 -0.039 0.000 2.051 423 E HA -0.267 4.103 4.350 0.034 0.000 0.192 423 E C 1.745 178.335 176.600 -0.017 0.000 0.991 423 E CA 1.646 58.027 56.400 -0.032 0.000 0.799 423 E CB -0.125 29.574 29.700 -0.002 0.000 0.748 423 E HN 0.509 nan 8.360 nan 0.000 0.449 424 D N -0.067 120.321 120.400 -0.019 0.000 2.106 424 D HA -0.155 4.505 4.640 0.034 0.000 0.191 424 D C 1.978 178.255 176.300 -0.038 0.000 0.997 424 D CA 1.782 55.767 54.000 -0.025 0.000 0.834 424 D CB -0.697 40.077 40.800 -0.044 0.000 0.956 424 D HN 0.193 nan 8.370 nan 0.000 0.448 425 T N 1.250 115.760 114.554 -0.074 0.000 2.684 425 T HA -0.099 4.272 4.350 0.034 0.000 0.267 425 T C 2.210 176.932 174.700 0.037 0.000 1.036 425 T CA 0.656 62.700 62.100 -0.093 0.000 1.148 425 T CB -0.306 68.480 68.868 -0.136 0.000 0.863 425 T HN 0.125 nan 8.240 nan 0.000 0.436 426 L N 0.631 121.837 121.223 -0.028 0.000 2.093 426 L HA -0.050 4.310 4.340 0.034 0.000 0.208 426 L C 2.822 179.756 176.870 0.107 0.000 1.085 426 L CA 1.012 55.833 54.840 -0.031 0.000 0.755 426 L CB -0.438 41.551 42.059 -0.116 0.000 0.904 426 L HN 0.167 nan 8.230 nan 0.000 0.435 427 E N 0.237 120.513 120.200 0.126 0.000 2.152 427 E HA -0.112 4.259 4.350 0.034 0.000 0.192 427 E C 2.280 178.978 176.600 0.164 0.000 0.983 427 E CA 0.948 57.460 56.400 0.187 0.000 0.818 427 E CB -0.050 29.720 29.700 0.116 0.000 0.758 427 E HN 0.519 nan 8.360 nan 0.000 0.467 428 I N 0.885 121.523 120.570 0.114 0.000 2.179 428 I HA -0.200 3.990 4.170 0.034 0.000 0.242 428 I C 2.498 178.718 176.117 0.171 0.000 1.088 428 I CA 1.328 62.700 61.300 0.120 0.000 1.357 428 I CB -0.620 37.425 38.000 0.074 0.000 1.051 428 I HN 0.113 nan 8.210 nan 0.000 0.409 429 G N 0.202 109.114 108.800 0.186 0.000 2.491 429 G HA2 -0.285 3.696 3.960 0.034 0.000 0.218 429 G HA3 -0.285 3.696 3.960 0.034 0.000 0.218 429 G C 1.397 176.300 174.900 0.005 0.000 1.180 429 G CA 0.698 45.824 45.100 0.043 0.000 0.774 429 G HN 0.410 nan 8.290 nan 0.000 0.562 430 W N 0.632 121.955 121.300 0.039 0.000 2.358 430 W HA -0.055 4.626 4.660 0.034 0.000 0.303 430 W C 3.128 179.635 176.519 -0.020 0.000 1.208 430 W CA 0.875 58.216 57.345 -0.007 0.000 1.274 430 W CB 0.048 29.498 29.460 -0.017 0.000 1.138 430 W HN 0.143 nan 8.180 nan 0.000 0.515 431 Q N 0.258 120.204 119.800 0.244 0.000 2.050 431 Q HA -0.192 4.168 4.340 0.034 0.000 0.202 431 Q C 2.150 178.243 176.000 0.154 0.000 0.980 431 Q CA 2.120 58.016 55.803 0.155 0.000 0.840 431 Q CB -1.104 27.701 28.738 0.112 0.000 0.898 431 Q HN 0.609 nan 8.270 nan 0.000 0.424 432 I N -2.902 117.765 120.570 0.162 0.000 2.500 432 I HA -0.126 4.065 4.170 0.034 0.000 0.252 432 I C 2.065 178.414 176.117 0.387 0.000 1.142 432 I CA 0.740 62.159 61.300 0.197 0.000 1.451 432 I CB -0.509 37.520 38.000 0.049 0.000 1.093 432 I HN -0.011 nan 8.210 nan 0.000 0.430 433 L N 1.928 123.338 121.223 0.313 0.000 2.191 433 L HA -0.147 4.213 4.340 0.034 0.000 0.212 433 L C 2.884 179.846 176.870 0.153 0.000 1.103 433 L CA 1.916 56.861 54.840 0.175 0.000 0.769 433 L CB -0.879 41.186 42.059 0.010 0.000 0.908 433 L HN 0.526 nan 8.230 nan 0.000 0.438 434 T N -4.694 109.956 114.554 0.160 0.000 2.977 434 T HA -0.270 4.101 4.350 0.034 0.000 0.271 434 T C 1.638 176.442 174.700 0.173 0.000 1.105 434 T CA 1.287 63.481 62.100 0.156 0.000 1.116 434 T CB -0.464 68.463 68.868 0.098 0.000 0.878 434 T HN 0.393 nan 8.240 nan 0.000 0.509 435 H N 0.354 119.486 119.070 0.103 0.000 2.495 435 H HA 0.359 4.936 4.556 0.035 0.000 0.287 435 H C 0.623 175.940 175.328 -0.019 0.000 1.033 435 H CA 0.421 56.513 56.048 0.073 0.000 1.307 435 H CB -0.280 29.561 29.762 0.130 0.000 1.401 435 H HN 0.360 nan 8.280 nan 0.000 0.555 436 L N 1.508 122.693 121.223 -0.062 0.000 2.418 436 L HA 0.287 4.648 4.340 0.034 0.000 0.265 436 L C -1.942 174.871 176.870 -0.095 0.000 1.143 436 L CA -2.261 52.421 54.840 -0.262 0.000 0.809 436 L CB 0.765 42.526 42.059 -0.496 0.000 1.124 436 L HN 0.099 nan 8.230 nan 0.000 0.456 437 P HA 0.017 nan 4.420 nan 0.000 0.267 437 P C 0.271 177.600 177.300 0.049 0.000 1.205 437 P CA -0.052 63.056 63.100 0.013 0.000 0.765 437 P CB 0.658 32.385 31.700 0.046 0.000 0.828 438 E N 3.020 123.256 120.200 0.061 0.000 2.118 438 E HA -0.268 4.102 4.350 0.034 0.000 0.195 438 E C 1.107 177.742 176.600 0.058 0.000 0.992 438 E CA 1.425 57.863 56.400 0.064 0.000 0.804 438 E CB -0.091 29.606 29.700 -0.006 0.000 0.741 438 E HN 0.481 nan 8.360 nan 0.000 0.458 439 N N -0.139 118.590 118.700 0.048 0.000 2.521 439 N HA -0.104 4.657 4.740 0.034 0.000 0.188 439 N C 0.801 176.349 175.510 0.063 0.000 1.146 439 N CA 0.448 53.526 53.050 0.046 0.000 0.893 439 N CB 0.232 38.738 38.487 0.033 0.000 0.975 439 N HN 0.135 nan 8.380 nan 0.000 0.451 440 Q N 0.022 119.877 119.800 0.091 0.000 2.247 440 Q HA 0.256 4.617 4.340 0.034 0.000 0.204 440 Q C 0.020 176.097 176.000 0.128 0.000 0.872 440 Q CA -0.001 55.884 55.803 0.137 0.000 0.951 440 Q CB 0.614 29.511 28.738 0.264 0.000 1.099 440 Q HN 0.487 nan 8.270 nan 0.000 0.501 441 L N 0.992 122.271 121.223 0.093 0.000 2.583 441 L HA 0.242 4.603 4.340 0.034 0.000 0.239 441 L C 1.459 178.373 176.870 0.073 0.000 1.347 441 L CA -0.346 54.543 54.840 0.081 0.000 1.246 441 L CB -0.132 42.001 42.059 0.122 0.000 1.496 441 L HN 0.107 nan 8.230 nan 0.000 0.413 442 G N 0.211 109.047 108.800 0.059 0.000 2.509 442 G HA2 -0.126 3.855 3.960 0.034 0.000 0.218 442 G HA3 -0.126 3.855 3.960 0.034 0.000 0.218 442 G C 1.565 176.489 174.900 0.041 0.000 1.124 442 G CA 0.048 45.173 45.100 0.043 0.000 0.776 442 G HN 0.392 nan 8.290 nan 0.000 0.547 443 R N -0.286 120.239 120.500 0.041 0.000 2.334 443 R HA 0.272 4.633 4.340 0.034 0.000 0.216 443 R C 0.043 176.383 176.300 0.067 0.000 0.905 443 R CA 0.003 56.126 56.100 0.038 0.000 1.064 443 R CB 0.377 30.688 30.300 0.018 0.000 1.046 443 R HN 0.343 nan 8.270 nan 0.000 0.508 444 I N 2.278 122.907 120.570 0.099 0.000 2.362 444 I HA 0.132 4.323 4.170 0.034 0.000 0.289 444 I C -0.706 175.528 176.117 0.195 0.000 0.994 444 I CA -1.082 60.328 61.300 0.184 0.000 1.158 444 I CB 1.655 39.790 38.000 0.224 0.000 1.315 444 I HN -0.189 nan 8.210 nan 0.000 0.451 445 D N 5.009 125.547 120.400 0.231 0.000 2.525 445 D HA -0.101 4.560 4.640 0.034 0.000 0.235 445 D C 1.208 177.537 176.300 0.049 0.000 1.137 445 D CA 0.208 54.257 54.000 0.083 0.000 0.868 445 D CB 0.561 41.325 40.800 -0.061 0.000 1.180 445 D HN 0.515 nan 8.370 nan 0.000 0.465 446 N N 2.578 121.269 118.700 -0.016 0.000 2.137 446 N HA -0.251 4.509 4.740 0.034 0.000 0.190 446 N C 1.473 176.937 175.510 -0.078 0.000 1.017 446 N CA 1.161 54.188 53.050 -0.038 0.000 0.859 446 N CB 0.126 38.576 38.487 -0.060 0.000 1.002 446 N HN 0.515 nan 8.380 nan 0.000 0.428 447 K N -0.290 120.014 120.400 -0.161 0.000 2.097 447 K HA -0.182 4.159 4.320 0.034 0.000 0.206 447 K C 1.511 178.047 176.600 -0.106 0.000 1.049 447 K CA 1.294 57.458 56.287 -0.206 0.000 0.933 447 K CB -0.650 31.660 32.500 -0.317 0.000 0.717 447 K HN 0.381 nan 8.250 nan 0.000 0.442 448 Y N 1.193 121.587 120.300 0.157 0.000 2.337 448 Y HA -0.042 4.529 4.550 0.035 0.000 0.293 448 Y C 2.482 178.543 175.900 0.269 0.000 1.123 448 Y CA -0.158 58.133 58.100 0.320 0.000 1.201 448 Y CB 0.011 38.733 38.460 0.437 0.000 1.011 448 Y HN -0.079 nan 8.280 nan 0.000 0.545 449 I N 0.292 121.059 120.570 0.328 0.000 2.127 449 I HA -0.295 3.895 4.170 0.034 0.000 0.241 449 I C 2.200 178.269 176.117 -0.080 0.000 1.075 449 I CA 1.489 62.892 61.300 0.172 0.000 1.334 449 I CB -1.193 36.847 38.000 0.068 0.000 1.040 449 I HN 0.346 nan 8.210 nan 0.000 0.405 450 Q N 0.557 120.259 119.800 -0.164 0.000 2.124 450 Q HA -0.217 4.144 4.340 0.034 0.000 0.202 450 Q C 2.225 178.144 176.000 -0.134 0.000 0.977 450 Q CA 1.484 57.159 55.803 -0.213 0.000 0.850 450 Q CB -0.364 28.269 28.738 -0.176 0.000 0.901 450 Q HN 0.528 nan 8.270 nan 0.000 0.429 451 K N -0.926 119.379 120.400 -0.158 0.000 2.137 451 K HA -0.063 4.278 4.320 0.034 0.000 0.202 451 K C 1.056 177.324 176.600 -0.552 0.000 1.052 451 K CA 0.818 56.885 56.287 -0.367 0.000 0.961 451 K CB 0.254 32.462 32.500 -0.486 0.000 0.741 451 K HN 0.152 nan 8.250 nan 0.000 0.452 452 Y N -1.676 118.477 120.300 -0.245 0.000 2.423 452 Y HA 0.132 4.703 4.550 0.035 0.000 0.257 452 Y C 0.464 175.704 175.900 -1.101 0.000 1.087 452 Y CA -0.643 57.089 58.100 -0.613 0.000 1.258 452 Y CB 0.421 38.495 38.460 -0.643 0.000 1.237 452 Y HN 0.048 nan 8.280 nan 0.000 0.517 453 H N 3.799 122.366 119.070 -0.839 0.000 3.004 453 H HA 0.020 4.597 4.556 0.035 0.000 0.316 453 H C -1.992 173.203 175.328 -0.220 0.000 1.014 453 H CA -1.425 54.265 56.048 -0.597 0.000 1.454 453 H CB 1.523 31.262 29.762 -0.039 0.000 1.472 453 H HN 0.069 nan 8.280 nan 0.000 0.571 454 P HA -0.144 nan 4.420 nan 0.000 0.218 454 P C 0.865 178.216 177.300 0.085 0.000 1.146 454 P CA 1.913 64.992 63.100 -0.035 0.000 0.813 454 P CB 0.117 31.788 31.700 -0.047 0.000 0.778 455 A N -1.973 121.028 122.820 0.302 0.000 2.206 455 A HA -0.113 4.228 4.320 0.034 0.000 0.211 455 A C 1.596 179.009 177.584 -0.286 0.000 1.158 455 A CA 1.104 53.148 52.037 0.011 0.000 0.761 455 A CB -0.899 18.077 19.000 -0.040 0.000 0.801 455 A HN 0.282 nan 8.150 nan 0.000 0.473 456 H N -1.964 117.131 119.070 0.043 0.000 3.266 456 H HA 0.164 4.741 4.556 0.034 0.000 0.246 456 H C 0.733 176.024 175.328 -0.061 0.000 0.998 456 H CA -0.252 55.777 56.048 -0.031 0.000 1.152 456 H CB 0.184 29.912 29.762 -0.056 0.000 1.466 456 H HN 0.398 nan 8.280 nan 0.000 0.481 457 R N 2.593 123.112 120.500 0.031 0.000 2.570 457 R HA 0.039 4.399 4.340 0.034 0.000 0.277 457 R C -0.527 175.745 176.300 -0.046 0.000 1.039 457 R CA 0.240 56.305 56.100 -0.059 0.000 1.065 457 R CB 0.522 30.759 30.300 -0.106 0.000 0.964 457 R HN 0.066 nan 8.270 nan 0.000 0.428 458 K N 2.511 122.876 120.400 -0.059 0.000 2.156 458 K HA 0.315 4.656 4.320 0.034 0.000 0.271 458 K C -0.513 176.063 176.600 -0.040 0.000 0.995 458 K CA -0.606 55.655 56.287 -0.043 0.000 0.890 458 K CB 1.861 34.336 32.500 -0.042 0.000 1.073 458 K HN 0.631 nan 8.250 nan 0.000 0.454 459 A N 3.593 126.397 122.820 -0.026 0.000 2.450 459 A HA 0.174 4.514 4.320 0.034 0.000 0.255 459 A C -0.183 177.391 177.584 -0.017 0.000 1.096 459 A CA -0.085 51.941 52.037 -0.019 0.000 0.778 459 A CB 0.224 19.217 19.000 -0.013 0.000 1.031 459 A HN 0.515 nan 8.150 nan 0.000 0.494 460 K N 0.000 120.392 120.400 -0.013 0.000 2.780 460 K HA 0.000 4.341 4.320 0.034 0.000 0.191 460 K CA 0.000 56.281 56.287 -0.011 0.000 0.838 460 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 460 K HN 0.000 nan 8.250 nan 0.000 0.543