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 3eiu_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 AEALRQMGAA DATA SEQUENCE XXXXXXXXGY PGYMYTDLAT LYERAGIVKG AKGSVTQIPI LSMPGDDITH DATA SEQUENCE PIPDLSGYIT EGQIVVAREL HRKGIYPPIN VLPSLSRLMN SGIGAGKTRE DATA SEQUENCE DHKAVSDQMY AGYAEGRDLR GLVAIVGKEA LSERDTKFLE FADLFEDKFV DATA SEQUENCE RQGWNENRTI EDTLEIGWQI LTHLPENQLG RIDNKYIQKY HPAHRK 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 3.959 3.960 -0.001 0.000 0.244 13 G C 0.000 174.818 174.900 -0.137 0.000 0.946 13 G CA 0.000 45.061 45.100 -0.064 0.000 0.502 14 P HA 0.541 nan 4.420 nan 0.000 0.294 14 P C -0.407 176.757 177.300 -0.226 0.000 1.294 14 P CA -0.726 62.283 63.100 -0.152 0.000 0.827 14 P CB 1.447 33.089 31.700 -0.097 0.000 0.992 15 L N 1.998 123.038 121.223 -0.305 0.000 2.326 15 L HA 0.605 4.944 4.340 -0.001 0.000 0.278 15 L C -0.105 176.442 176.870 -0.538 0.000 1.092 15 L CA -0.136 54.464 54.840 -0.400 0.000 0.810 15 L CB -0.112 41.687 42.059 -0.434 0.000 1.153 15 L HN 0.137 nan 8.230 nan 0.000 0.439 16 I N 3.047 123.325 120.570 -0.487 0.000 2.465 16 I HA 0.461 4.630 4.170 -0.001 0.000 0.291 16 I C -0.728 175.134 176.117 -0.426 0.000 1.014 16 I CA -0.074 60.952 61.300 -0.456 0.000 1.093 16 I CB 1.605 39.490 38.000 -0.192 0.000 1.267 16 I HN 0.340 nan 8.210 nan 0.000 0.431 17 F N 5.755 125.709 119.950 0.007 0.000 2.424 17 F HA 0.502 5.029 4.527 -0.001 0.000 0.356 17 F C 0.173 175.982 175.800 0.015 0.000 1.110 17 F CA -0.736 57.270 58.000 0.011 0.000 1.161 17 F CB 0.717 39.725 39.000 0.013 0.000 1.115 17 F HN -0.021 nan 8.300 nan 0.000 0.507 18 V N 2.638 122.662 119.914 0.183 0.000 2.513 18 V HA 0.239 4.358 4.120 -0.001 0.000 0.299 18 V C 0.006 176.168 176.094 0.114 0.000 1.035 18 V CA -1.276 61.096 62.300 0.120 0.000 0.889 18 V CB 1.701 33.587 31.823 0.105 0.000 0.988 18 V HN 0.673 nan 8.190 nan 0.000 0.440 19 E N 2.748 123.005 120.200 0.094 0.000 2.415 19 E HA 0.058 4.407 4.350 -0.001 0.000 0.260 19 E C -0.035 176.619 176.600 0.090 0.000 1.016 19 E CA -0.231 56.215 56.400 0.078 0.000 0.924 19 E CB 0.426 30.163 29.700 0.062 0.000 0.961 19 E HN 0.518 nan 8.360 nan 0.000 0.459 20 K N 3.022 123.462 120.400 0.066 0.000 2.315 20 K HA 0.030 4.349 4.320 -0.001 0.000 0.291 20 K C 0.377 177.009 176.600 0.053 0.000 1.074 20 K CA 0.380 56.697 56.287 0.051 0.000 0.936 20 K CB 0.345 32.854 32.500 0.015 0.000 1.049 20 K HN 0.510 nan 8.250 nan 0.000 0.471 21 T N 0.215 114.821 114.554 0.087 0.000 3.003 21 T HA 0.221 4.570 4.350 -0.001 0.000 0.261 21 T C 0.050 174.784 174.700 0.058 0.000 1.003 21 T CA -0.449 61.702 62.100 0.085 0.000 0.917 21 T CB 0.074 69.019 68.868 0.129 0.000 1.084 21 T HN 0.565 nan 8.240 nan 0.000 0.522 22 E N 1.279 121.472 120.200 -0.011 0.000 2.352 22 E HA 0.476 4.825 4.350 -0.001 0.000 0.280 22 E C -3.093 173.376 176.600 -0.218 0.000 0.930 22 E CA -2.217 54.105 56.400 -0.131 0.000 0.765 22 E CB 2.107 31.658 29.700 -0.248 0.000 1.219 22 E HN -0.007 nan 8.360 nan 0.000 0.434 23 P HA 0.087 nan 4.420 nan 0.000 0.271 23 P C -1.001 176.140 177.300 -0.266 0.000 1.216 23 P CA -0.284 62.706 63.100 -0.183 0.000 0.776 23 P CB 0.603 32.225 31.700 -0.130 0.000 0.881 24 V N -0.244 119.523 119.914 -0.245 0.000 3.074 24 V HA 0.991 5.110 4.120 -0.001 0.000 0.314 24 V C 0.008 175.955 176.094 -0.245 0.000 1.117 24 V CA -0.830 61.308 62.300 -0.270 0.000 1.014 24 V CB 1.832 33.494 31.823 -0.268 0.000 1.057 24 V HN 0.654 nan 8.190 nan 0.000 0.438 25 G N -0.575 108.094 108.800 -0.217 0.000 2.600 25 G HA2 0.651 4.610 3.960 -0.001 0.000 0.303 25 G HA3 0.651 4.610 3.960 -0.001 0.000 0.303 25 G C -1.582 173.192 174.900 -0.210 0.000 1.253 25 G CA -0.943 44.032 45.100 -0.207 0.000 0.974 25 G HN 0.690 nan 8.290 nan 0.000 0.483 26 Y N -0.010 120.276 120.300 -0.023 0.000 2.397 26 Y HA 0.116 4.665 4.550 -0.002 0.000 0.335 26 Y C 1.331 177.224 175.900 -0.012 0.000 1.213 26 Y CA 0.899 58.991 58.100 -0.013 0.000 1.391 26 Y CB 0.734 39.189 38.460 -0.008 0.000 1.293 26 Y HN 0.665 nan 8.280 nan 0.000 0.557 27 N N -1.113 117.682 118.700 0.159 0.000 2.732 27 N HA -0.269 4.471 4.740 -0.001 0.000 0.250 27 N C -0.580 174.958 175.510 0.046 0.000 1.097 27 N CA 1.289 54.390 53.050 0.086 0.000 0.812 27 N CB -1.363 37.170 38.487 0.078 0.000 1.148 27 N HN 0.775 nan 8.380 nan 0.000 0.572 28 E N 0.373 120.590 120.200 0.029 0.000 2.343 28 E HA 0.384 4.733 4.350 -0.001 0.000 0.269 28 E C -0.114 176.498 176.600 0.019 0.000 1.047 28 E CA -0.719 55.686 56.400 0.009 0.000 0.874 28 E CB 0.877 30.564 29.700 -0.021 0.000 1.033 28 E HN 0.056 nan 8.360 nan 0.000 0.409 29 I N 3.216 123.798 120.570 0.020 0.000 2.428 29 I HA 0.228 4.397 4.170 -0.001 0.000 0.289 29 I C 0.484 176.649 176.117 0.080 0.000 1.019 29 I CA -0.705 60.608 61.300 0.021 0.000 1.351 29 I CB 0.472 38.458 38.000 -0.024 0.000 1.412 29 I HN 0.610 nan 8.210 nan 0.000 0.513 30 V N 3.382 123.349 119.914 0.089 0.000 3.102 30 V HA 0.641 4.760 4.120 -0.001 0.000 0.312 30 V C -0.600 175.506 176.094 0.021 0.000 1.135 30 V CA -0.875 61.517 62.300 0.154 0.000 1.022 30 V CB 2.741 34.725 31.823 0.268 0.000 1.056 30 V HN 0.749 nan 8.190 nan 0.000 0.436 31 N N 1.968 120.619 118.700 -0.081 0.000 2.623 31 N HA 0.485 5.224 4.740 -0.001 0.000 0.256 31 N C -1.181 174.233 175.510 -0.160 0.000 1.045 31 N CA -0.212 52.773 53.050 -0.109 0.000 0.863 31 N CB 1.682 40.100 38.487 -0.115 0.000 1.182 31 N HN 0.776 nan 8.380 nan 0.000 0.523 32 I N 0.246 120.763 120.570 -0.090 0.000 2.352 32 I HA 0.229 4.398 4.170 -0.001 0.000 0.290 32 I C 0.752 176.827 176.117 -0.070 0.000 1.036 32 I CA -0.414 60.835 61.300 -0.085 0.000 1.336 32 I CB 0.233 38.210 38.000 -0.038 0.000 1.407 32 I HN -0.030 nan 8.210 nan 0.000 0.497 33 K N 5.235 125.585 120.400 -0.083 0.000 2.401 33 K HA 0.239 4.558 4.320 -0.001 0.000 0.278 33 K C -0.085 176.495 176.600 -0.034 0.000 1.018 33 K CA -0.327 55.926 56.287 -0.056 0.000 0.981 33 K CB 0.567 33.032 32.500 -0.059 0.000 0.933 33 K HN 0.489 nan 8.250 nan 0.000 0.477 34 M N 0.464 120.050 119.600 -0.024 0.000 2.310 34 M HA 0.183 4.662 4.480 -0.001 0.000 0.241 34 M C 1.578 177.873 176.300 -0.008 0.000 1.162 34 M CA 0.381 55.672 55.300 -0.014 0.000 0.958 34 M CB 0.455 33.047 32.600 -0.013 0.000 1.348 34 M HN 0.740 nan 8.290 nan 0.000 0.541 35 G N -0.448 108.350 108.800 -0.003 0.000 2.443 35 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.219 35 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.219 35 G C 0.789 175.689 174.900 0.000 0.000 1.131 35 G CA 1.173 46.274 45.100 0.002 0.000 0.775 35 G HN 0.796 nan 8.290 nan 0.000 0.547 36 D N -1.195 119.203 120.400 -0.004 0.000 2.490 36 D HA 0.215 4.854 4.640 -0.001 0.000 0.244 36 D C 1.640 177.936 176.300 -0.007 0.000 0.979 36 D CA 1.170 55.167 54.000 -0.004 0.000 0.924 36 D CB -0.419 40.377 40.800 -0.006 0.000 1.075 36 D HN 0.525 nan 8.370 nan 0.000 0.488 37 G N 0.404 109.197 108.800 -0.010 0.000 2.731 37 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.219 37 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.219 37 G C 0.013 174.904 174.900 -0.015 0.000 0.989 37 G CA 0.073 45.164 45.100 -0.014 0.000 0.871 37 G HN 0.528 nan 8.290 nan 0.000 0.591 38 T N 0.183 114.729 114.554 -0.014 0.000 2.875 38 T HA 0.562 4.911 4.350 -0.001 0.000 0.307 38 T C 0.660 175.351 174.700 -0.015 0.000 1.013 38 T CA -0.032 62.060 62.100 -0.012 0.000 0.970 38 T CB 1.015 69.877 68.868 -0.010 0.000 0.986 38 T HN 1.432 nan 8.240 nan 0.000 0.536 39 V N 2.252 122.155 119.914 -0.019 0.000 2.585 39 V HA 0.471 4.590 4.120 -0.001 0.000 0.296 39 V C 0.273 176.361 176.094 -0.010 0.000 1.035 39 V CA -0.709 61.576 62.300 -0.026 0.000 1.084 39 V CB -0.305 31.495 31.823 -0.038 0.000 0.953 39 V HN 0.826 nan 8.190 nan 0.000 0.483 40 R N 3.563 124.058 120.500 -0.008 0.000 2.795 40 R HA 0.611 4.951 4.340 -0.001 0.000 0.275 40 R C -0.541 175.780 176.300 0.035 0.000 0.981 40 R CA -1.004 55.109 56.100 0.021 0.000 0.917 40 R CB 2.582 32.890 30.300 0.014 0.000 1.202 40 R HN 0.715 nan 8.270 nan 0.000 0.469 41 R N -0.013 120.547 120.500 0.101 0.000 2.549 41 R HA 0.674 5.013 4.340 -0.001 0.000 0.267 41 R C 0.047 176.437 176.300 0.148 0.000 1.045 41 R CA -0.457 55.710 56.100 0.111 0.000 1.115 41 R CB 1.741 32.108 30.300 0.111 0.000 1.121 41 R HN 0.869 nan 8.270 nan 0.000 0.543 42 G N 0.094 108.954 108.800 0.100 0.000 2.322 42 G HA2 0.204 4.163 3.960 -0.001 0.000 0.295 42 G HA3 0.204 4.163 3.960 -0.001 0.000 0.295 42 G C -2.050 172.882 174.900 0.052 0.000 1.369 42 G CA -0.802 44.353 45.100 0.092 0.000 0.821 42 G HN 0.534 nan 8.290 nan 0.000 0.536 43 Q N -1.036 118.789 119.800 0.042 0.000 2.451 43 Q HA 0.756 5.095 4.340 -0.001 0.000 0.281 43 Q C -1.082 174.930 176.000 0.021 0.000 1.099 43 Q CA -1.085 54.737 55.803 0.032 0.000 0.806 43 Q CB 2.564 31.322 28.738 0.033 0.000 1.419 43 Q HN 0.490 nan 8.270 nan 0.000 0.427 44 V N 3.012 122.940 119.914 0.023 0.000 2.508 44 V HA 0.007 4.126 4.120 -0.001 0.000 0.281 44 V C 0.437 176.561 176.094 0.048 0.000 1.041 44 V CA -0.038 62.270 62.300 0.012 0.000 1.016 44 V CB 0.796 32.599 31.823 -0.033 0.000 0.984 44 V HN 0.836 nan 8.190 nan 0.000 0.478 45 L N 3.232 124.483 121.223 0.046 0.000 2.262 45 L HA 0.465 4.804 4.340 -0.001 0.000 0.197 45 L C 0.651 177.639 176.870 0.198 0.000 1.073 45 L CA 1.418 56.313 54.840 0.091 0.000 0.800 45 L CB 0.358 42.422 42.059 0.008 0.000 0.987 45 L HN 0.784 nan 8.230 nan 0.000 0.470 46 D N -2.233 118.246 120.400 0.132 0.000 2.615 46 D HA 0.397 5.036 4.640 -0.001 0.000 0.267 46 D C -1.645 174.683 176.300 0.047 0.000 1.236 46 D CA -0.156 53.944 54.000 0.167 0.000 0.839 46 D CB 2.257 43.163 40.800 0.177 0.000 1.380 46 D HN -0.020 nan 8.370 nan 0.000 0.433 47 S N -0.458 115.253 115.700 0.019 0.000 2.607 47 S HA 0.698 5.168 4.470 -0.001 0.000 0.273 47 S C -0.521 174.087 174.600 0.012 0.000 1.148 47 S CA -0.167 58.027 58.200 -0.011 0.000 0.833 47 S CB 1.227 64.368 63.200 -0.098 0.000 1.130 47 S HN 0.531 nan 8.310 nan 0.000 0.470 48 S N 1.984 117.691 115.700 0.012 0.000 2.589 48 S HA 0.787 5.256 4.470 -0.001 0.000 0.272 48 S C 1.517 176.115 174.600 -0.003 0.000 1.096 48 S CA 0.027 58.234 58.200 0.011 0.000 0.985 48 S CB 0.160 63.368 63.200 0.013 0.000 1.278 48 S HN 1.289 nan 8.310 nan 0.000 0.528 49 A N 0.967 123.787 122.820 0.000 0.000 1.897 49 A HA 0.064 4.383 4.320 -0.001 0.000 0.215 49 A C 1.350 178.931 177.584 -0.005 0.000 1.181 49 A CA 1.588 53.623 52.037 -0.004 0.000 0.620 49 A CB -0.752 18.248 19.000 -0.000 0.000 0.821 49 A HN 0.903 nan 8.150 nan 0.000 0.443 50 D N -2.201 118.201 120.400 0.002 0.000 2.562 50 D HA 0.310 4.949 4.640 -0.001 0.000 0.246 50 D C -0.401 175.911 176.300 0.020 0.000 1.347 50 D CA -0.117 53.888 54.000 0.008 0.000 0.800 50 D CB -0.080 40.726 40.800 0.010 0.000 1.111 50 D HN 0.310 nan 8.370 nan 0.000 0.508 51 I N 0.440 121.024 120.570 0.024 0.000 2.689 51 I HA 0.388 4.557 4.170 -0.001 0.000 0.299 51 I C -0.710 175.445 176.117 0.063 0.000 1.059 51 I CA -1.112 60.218 61.300 0.051 0.000 1.055 51 I CB 2.864 40.888 38.000 0.041 0.000 1.243 51 I HN -0.277 nan 8.210 nan 0.000 0.425 52 V N 5.422 125.395 119.914 0.099 0.000 2.531 52 V HA 0.432 4.551 4.120 -0.001 0.000 0.301 52 V C -0.447 175.722 176.094 0.126 0.000 1.034 52 V CA -0.832 61.516 62.300 0.081 0.000 0.865 52 V CB 2.020 33.871 31.823 0.047 0.000 0.995 52 V HN 0.398 nan 8.190 nan 0.000 0.424 53 V N 5.721 125.700 119.914 0.108 0.000 2.461 53 V HA 0.462 4.581 4.120 -0.001 0.000 0.275 53 V C -0.099 175.977 176.094 -0.030 0.000 1.047 53 V CA -0.293 62.043 62.300 0.061 0.000 0.955 53 V CB 1.524 33.407 31.823 0.100 0.000 0.988 53 V HN 0.596 nan 8.190 nan 0.000 0.471 54 V N 5.258 125.107 119.914 -0.108 0.000 2.525 54 V HA 0.355 4.474 4.120 -0.001 0.000 0.299 54 V C -0.226 175.786 176.094 -0.137 0.000 1.034 54 V CA -0.659 61.591 62.300 -0.084 0.000 0.863 54 V CB 1.891 33.694 31.823 -0.033 0.000 0.999 54 V HN 0.882 nan 8.190 nan 0.000 0.423 55 Q N 2.766 122.499 119.800 -0.112 0.000 2.279 55 Q HA 0.463 4.802 4.340 -0.001 0.000 0.256 55 Q C -0.610 175.364 176.000 -0.043 0.000 0.937 55 Q CA -0.439 55.289 55.803 -0.125 0.000 0.933 55 Q CB 2.143 30.795 28.738 -0.142 0.000 1.189 55 Q HN 0.591 nan 8.270 nan 0.000 0.417 56 V N 5.190 125.077 119.914 -0.046 0.000 2.572 56 V HA 0.043 4.163 4.120 -0.001 0.000 0.291 56 V C 0.279 176.402 176.094 0.048 0.000 1.039 56 V CA 0.002 62.312 62.300 0.018 0.000 1.055 56 V CB -0.320 31.489 31.823 -0.024 0.000 0.969 56 V HN 0.622 nan 8.190 nan 0.000 0.482 71 F N 4.808 124.743 119.950 -0.025 0.000 2.408 71 F HA 0.764 5.290 4.527 -0.001 0.000 0.344 71 F C 0.268 176.056 175.800 -0.020 0.000 1.112 71 F CA -0.023 57.964 58.000 -0.022 0.000 1.096 71 F CB 1.491 40.476 39.000 -0.024 0.000 1.129 71 F HN 0.684 nan 8.300 nan 0.000 0.486 72 T N 2.864 116.861 114.554 -0.928 0.000 2.792 72 T HA 0.792 5.141 4.350 -0.001 0.000 0.280 72 T C -0.195 173.778 174.700 -1.211 0.000 0.990 72 T CA -0.582 61.010 62.100 -0.847 0.000 0.960 72 T CB 1.251 69.898 68.868 -0.368 0.000 0.939 72 T HN 0.892 nan 8.240 nan 0.000 0.439 73 G N 1.798 110.076 108.800 -0.870 0.000 2.600 73 G HA2 0.653 4.612 3.960 -0.001 0.000 0.303 73 G HA3 0.653 4.612 3.960 -0.001 0.000 0.303 73 G C -1.026 173.780 174.900 -0.157 0.000 1.253 73 G CA -0.837 44.008 45.100 -0.425 0.000 0.974 73 G HN 0.685 nan 8.290 nan 0.000 0.483 74 E N 0.271 120.445 120.200 -0.042 0.000 2.214 74 E HA 0.385 4.734 4.350 -0.001 0.000 0.274 74 E C 0.013 176.624 176.600 0.019 0.000 0.977 74 E CA -0.350 56.041 56.400 -0.016 0.000 0.827 74 E CB 1.665 31.365 29.700 -0.001 0.000 1.130 74 E HN 0.433 nan 8.360 nan 0.000 0.394 75 T N 1.123 115.687 114.554 0.017 0.000 2.860 75 T HA 0.113 4.462 4.350 -0.001 0.000 0.299 75 T C 0.484 175.216 174.700 0.053 0.000 1.045 75 T CA -0.699 61.424 62.100 0.038 0.000 1.071 75 T CB 0.418 69.304 68.868 0.029 0.000 0.985 75 T HN 0.210 nan 8.240 nan 0.000 0.537 76 L N 2.529 123.801 121.223 0.082 0.000 2.455 76 L HA 0.261 4.600 4.340 -0.001 0.000 0.272 76 L C -0.134 176.768 176.870 0.054 0.000 1.174 76 L CA 0.284 55.169 54.840 0.075 0.000 0.869 76 L CB -0.161 41.960 42.059 0.103 0.000 1.130 76 L HN 0.417 nan 8.230 nan 0.000 0.474 77 K N 5.520 125.941 120.400 0.035 0.000 2.207 77 K HA 0.439 4.758 4.320 -0.001 0.000 0.255 77 K C -1.026 175.582 176.600 0.013 0.000 0.941 77 K CA -0.916 55.384 56.287 0.022 0.000 0.825 77 K CB 2.034 34.543 32.500 0.015 0.000 1.119 77 K HN 0.583 nan 8.250 nan 0.000 0.430 78 L N 3.599 124.823 121.223 0.002 0.000 2.292 78 L HA 0.337 4.676 4.340 -0.001 0.000 0.284 78 L C -2.246 174.602 176.870 -0.037 0.000 1.065 78 L CA -1.557 53.279 54.840 -0.006 0.000 0.806 78 L CB 0.990 43.044 42.059 -0.008 0.000 1.175 78 L HN 0.326 nan 8.230 nan 0.000 0.431 79 P HA 0.136 nan 4.420 nan 0.000 0.238 79 P C -0.896 176.326 177.300 -0.129 0.000 1.729 79 P CA -0.032 63.034 63.100 -0.056 0.000 1.055 79 P CB -0.142 31.543 31.700 -0.026 0.000 1.980 80 A N 2.061 124.738 122.820 -0.238 0.000 2.409 80 A HA 0.559 4.878 4.320 -0.001 0.000 0.262 80 A C 0.451 177.700 177.584 -0.559 0.000 1.113 80 A CA 0.216 51.914 52.037 -0.565 0.000 0.790 80 A CB 0.038 18.500 19.000 -0.896 0.000 1.046 80 A HN 0.423 nan 8.150 nan 0.000 0.496 81 S N 0.618 116.020 115.700 -0.496 0.000 2.558 81 S HA 0.326 4.795 4.470 -0.001 0.000 0.277 81 S C 0.328 174.974 174.600 0.077 0.000 1.143 81 S CA -0.152 57.992 58.200 -0.093 0.000 0.865 81 S CB 0.488 63.662 63.200 -0.043 0.000 1.102 81 S HN 1.189 nan 8.310 nan 0.000 0.454 82 V N -0.150 119.837 119.914 0.122 0.000 2.568 82 V HA -0.140 3.980 4.120 -0.001 0.000 0.253 82 V C 1.986 178.057 176.094 -0.039 0.000 1.072 82 V CA 2.186 64.437 62.300 -0.080 0.000 1.084 82 V CB -1.204 30.499 31.823 -0.199 0.000 0.676 82 V HN 1.022 nan 8.190 nan 0.000 0.469 83 D N -0.423 119.969 120.400 -0.013 0.000 2.403 83 D HA -0.015 4.624 4.640 -0.001 0.000 0.227 83 D C 1.095 177.373 176.300 -0.038 0.000 0.995 83 D CA 0.496 54.483 54.000 -0.021 0.000 0.928 83 D CB -0.167 40.626 40.800 -0.012 0.000 0.887 83 D HN 0.468 nan 8.370 nan 0.000 0.529 84 L N -0.518 120.679 121.223 -0.043 0.000 2.615 84 L HA 0.143 4.483 4.340 -0.001 0.000 0.155 84 L C 0.633 177.465 176.870 -0.063 0.000 1.194 84 L CA -0.673 54.130 54.840 -0.062 0.000 1.826 84 L CB -0.293 41.734 42.059 -0.053 0.000 2.324 84 L HN -0.068 nan 8.230 nan 0.000 0.520 85 L N 0.841 122.021 121.223 -0.073 0.000 3.389 85 L HA -0.234 4.106 4.340 -0.001 0.000 0.644 85 L C 0.444 177.276 176.870 -0.064 0.000 1.039 85 L CA 0.469 55.270 54.840 -0.065 0.000 1.211 85 L CB -1.828 40.205 42.059 -0.042 0.000 1.459 85 L HN 0.929 nan 8.230 nan 0.000 0.785 86 G N 1.167 109.915 108.800 -0.087 0.000 2.797 86 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.195 86 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.195 86 G C 0.243 175.087 174.900 -0.094 0.000 1.026 86 G CA -0.194 44.863 45.100 -0.071 0.000 0.759 86 G HN 0.384 nan 8.290 nan 0.000 0.475 87 R N 0.496 120.923 120.500 -0.121 0.000 2.428 87 R HA 0.654 4.993 4.340 -0.001 0.000 0.294 87 R C -0.199 175.981 176.300 -0.199 0.000 1.000 87 R CA -0.479 55.541 56.100 -0.132 0.000 0.960 87 R CB 1.368 31.600 30.300 -0.114 0.000 1.076 87 R HN 0.295 nan 8.270 nan 0.000 0.475 88 I N 3.672 124.143 120.570 -0.164 0.000 2.499 88 I HA 0.364 4.533 4.170 -0.001 0.000 0.296 88 I C 0.136 176.154 176.117 -0.166 0.000 0.992 88 I CA -0.375 60.815 61.300 -0.183 0.000 1.297 88 I CB 0.815 38.753 38.000 -0.103 0.000 1.410 88 I HN 0.269 nan 8.210 nan 0.000 0.507 89 L N 2.952 124.059 121.223 -0.194 0.000 2.397 89 L HA 0.515 4.854 4.340 -0.001 0.000 0.251 89 L C -0.175 176.711 176.870 0.027 0.000 1.064 89 L CA -0.754 54.020 54.840 -0.110 0.000 0.859 89 L CB 1.945 43.887 42.059 -0.195 0.000 1.468 89 L HN 0.566 nan 8.230 nan 0.000 0.411 90 S N -0.667 115.082 115.700 0.081 0.000 2.693 90 S HA 0.378 4.847 4.470 -0.001 0.000 0.276 90 S C 1.056 175.784 174.600 0.212 0.000 1.192 90 S CA 0.116 58.389 58.200 0.121 0.000 0.994 90 S CB 1.379 64.620 63.200 0.069 0.000 1.012 90 S HN 0.791 nan 8.310 nan 0.000 0.550 91 G N 0.561 109.449 108.800 0.146 0.000 2.653 91 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.212 91 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.212 91 G C 0.916 175.826 174.900 0.016 0.000 1.138 91 G CA 0.680 45.826 45.100 0.077 0.000 0.782 91 G HN 0.875 nan 8.290 nan 0.000 0.535 92 S N -2.017 113.718 115.700 0.059 0.000 2.603 92 S HA 0.423 4.892 4.470 -0.001 0.000 0.232 92 S C 1.562 176.207 174.600 0.075 0.000 1.016 92 S CA 0.738 58.957 58.200 0.031 0.000 0.976 92 S CB 0.520 63.728 63.200 0.014 0.000 0.921 92 S HN 1.313 nan 8.310 nan 0.000 0.516 93 G N 1.399 110.291 108.800 0.154 0.000 2.143 93 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.249 93 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.249 93 G C -0.356 174.582 174.900 0.063 0.000 0.981 93 G CA -0.147 45.047 45.100 0.156 0.000 0.665 93 G HN 0.462 nan 8.290 nan 0.000 0.528 94 E N 1.202 121.433 120.200 0.052 0.000 2.223 94 E HA 0.334 4.683 4.350 -0.001 0.000 0.282 94 E C -2.247 174.355 176.600 0.004 0.000 1.046 94 E CA -1.988 54.425 56.400 0.022 0.000 0.857 94 E CB 0.943 30.656 29.700 0.022 0.000 1.055 94 E HN 0.177 nan 8.360 nan 0.000 0.409 95 P HA 0.027 nan 4.420 nan 0.000 0.262 95 P C 0.457 177.745 177.300 -0.020 0.000 1.182 95 P CA 0.367 63.449 63.100 -0.029 0.000 0.761 95 P CB 0.579 32.263 31.700 -0.027 0.000 0.795 96 R N 2.114 122.597 120.500 -0.027 0.000 2.344 96 R HA 0.022 4.361 4.340 -0.001 0.000 0.209 96 R C 0.562 176.852 176.300 -0.017 0.000 0.886 96 R CA 0.359 56.450 56.100 -0.014 0.000 1.040 96 R CB 0.262 30.559 30.300 -0.006 0.000 1.114 96 R HN 0.551 nan 8.270 nan 0.000 0.547 97 D N -0.158 120.225 120.400 -0.028 0.000 2.370 97 D HA 0.063 4.703 4.640 -0.001 0.000 0.230 97 D C 1.115 177.403 176.300 -0.020 0.000 1.143 97 D CA 0.567 54.553 54.000 -0.025 0.000 0.834 97 D CB 0.242 41.020 40.800 -0.036 0.000 0.944 97 D HN 0.249 nan 8.370 nan 0.000 0.504 98 G N -0.376 108.414 108.800 -0.016 0.000 2.302 98 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.263 98 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.263 98 G C 0.777 175.668 174.900 -0.015 0.000 0.995 98 G CA 0.404 45.496 45.100 -0.013 0.000 0.622 98 G HN 0.808 nan 8.290 nan 0.000 0.538 99 G N 0.901 109.689 108.800 -0.020 0.000 2.570 99 G HA2 0.563 4.522 3.960 -0.001 0.000 0.276 99 G HA3 0.563 4.522 3.960 -0.001 0.000 0.276 99 G C -0.865 174.024 174.900 -0.019 0.000 1.346 99 G CA 0.125 45.212 45.100 -0.020 0.000 1.034 99 G HN 0.474 nan 8.290 nan 0.000 0.512 100 P HA 0.256 nan 4.420 nan 0.000 0.277 100 P C -0.287 177.002 177.300 -0.019 0.000 1.276 100 P CA -0.665 62.425 63.100 -0.016 0.000 0.788 100 P CB 0.676 32.368 31.700 -0.014 0.000 1.114 101 R N 0.201 120.692 120.500 -0.015 0.000 2.594 101 R HA 0.260 4.599 4.340 -0.001 0.000 0.272 101 R C 0.194 176.483 176.300 -0.019 0.000 1.074 101 R CA -0.455 55.636 56.100 -0.015 0.000 1.105 101 R CB -0.299 29.995 30.300 -0.009 0.000 1.008 101 R HN 0.458 nan 8.270 nan 0.000 0.472 102 I N 2.100 122.656 120.570 -0.024 0.000 2.517 102 I HA 0.002 4.171 4.170 -0.001 0.000 0.285 102 I C 0.444 176.547 176.117 -0.024 0.000 1.106 102 I CA -0.239 61.042 61.300 -0.030 0.000 1.402 102 I CB 0.424 38.400 38.000 -0.040 0.000 1.399 102 I HN 0.023 nan 8.210 nan 0.000 0.535 103 V N 9.033 128.935 119.914 -0.021 0.000 2.370 103 V HA 0.179 4.298 4.120 -0.001 0.000 0.257 103 V C -1.917 174.167 176.094 -0.017 0.000 1.064 103 V CA -1.265 61.027 62.300 -0.013 0.000 0.975 103 V CB -0.092 31.728 31.823 -0.006 0.000 1.067 103 V HN 0.630 nan 8.190 nan 0.000 0.485 104 P HA 0.389 nan 4.420 nan 0.000 0.297 104 P C -0.139 177.156 177.300 -0.008 0.000 1.331 104 P CA -0.529 62.551 63.100 -0.034 0.000 0.803 104 P CB 1.561 33.237 31.700 -0.040 0.000 0.929 105 D N 1.473 121.879 120.400 0.009 0.000 2.219 105 D HA -0.108 4.531 4.640 -0.001 0.000 0.205 105 D C 0.547 176.878 176.300 0.051 0.000 0.970 105 D CA 1.516 55.548 54.000 0.054 0.000 0.851 105 D CB 0.259 41.132 40.800 0.122 0.000 0.943 105 D HN 0.557 nan 8.370 nan 0.000 0.488 106 Q N -0.079 119.732 119.800 0.018 0.000 2.386 106 Q HA 0.408 4.747 4.340 -0.001 0.000 0.274 106 Q C -1.643 174.337 176.000 -0.032 0.000 1.011 106 Q CA -0.968 54.847 55.803 0.020 0.000 0.867 106 Q CB 1.237 30.024 28.738 0.082 0.000 1.409 106 Q HN -0.007 nan 8.270 nan 0.000 0.395 107 L N 0.542 121.758 121.223 -0.012 0.000 2.335 107 L HA 0.565 4.904 4.340 -0.001 0.000 0.268 107 L C -0.889 175.981 176.870 -0.001 0.000 1.037 107 L CA -0.724 54.105 54.840 -0.019 0.000 0.895 107 L CB 0.151 42.205 42.059 -0.009 0.000 1.266 107 L HN 0.520 nan 8.230 nan 0.000 0.439 108 L N -1.413 119.809 121.223 -0.002 0.000 2.375 108 L HA 0.635 4.974 4.340 -0.001 0.000 0.268 108 L C 0.365 177.249 176.870 0.022 0.000 1.058 108 L CA -0.552 54.301 54.840 0.022 0.000 0.803 108 L CB 0.237 42.326 42.059 0.050 0.000 1.212 108 L HN 0.323 nan 8.230 nan 0.000 0.451 109 D N 0.802 121.218 120.400 0.027 0.000 2.493 109 D HA -0.002 4.637 4.640 -0.001 0.000 0.240 109 D C 1.091 177.416 176.300 0.041 0.000 1.142 109 D CA 0.287 54.307 54.000 0.033 0.000 0.872 109 D CB 0.938 41.755 40.800 0.028 0.000 1.173 109 D HN 0.709 nan 8.370 nan 0.000 0.467 110 I N 1.174 121.776 120.570 0.055 0.000 2.876 110 I HA -0.020 4.149 4.170 -0.001 0.000 0.264 110 I C 1.293 177.461 176.117 0.085 0.000 1.204 110 I CA 0.265 61.598 61.300 0.056 0.000 1.485 110 I CB -0.129 37.899 38.000 0.047 0.000 1.103 110 I HN 0.129 nan 8.210 nan 0.000 0.446 111 N N 1.738 120.497 118.700 0.098 0.000 2.521 111 N HA 0.028 4.768 4.740 -0.001 0.000 0.188 111 N C 1.556 177.098 175.510 0.054 0.000 1.146 111 N CA 1.162 54.267 53.050 0.090 0.000 0.893 111 N CB 0.545 39.065 38.487 0.056 0.000 0.975 111 N HN 0.719 nan 8.380 nan 0.000 0.451 112 G N 0.374 109.204 108.800 0.049 0.000 2.217 112 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.246 112 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.246 112 G C 0.780 175.695 174.900 0.026 0.000 0.990 112 G CA 0.240 45.368 45.100 0.046 0.000 0.627 112 G HN 0.487 nan 8.290 nan 0.000 0.522 113 A N 0.184 123.014 122.820 0.016 0.000 2.268 113 A HA 0.727 5.046 4.320 -0.001 0.000 0.221 113 A C 2.181 179.764 177.584 -0.003 0.000 1.287 113 A CA 1.478 53.516 52.037 0.003 0.000 0.902 113 A CB -0.506 18.493 19.000 -0.002 0.000 0.877 113 A HN 1.679 nan 8.150 nan 0.000 0.487 114 A N -0.741 122.077 122.820 -0.002 0.000 1.887 114 A HA 0.299 4.619 4.320 -0.001 0.000 0.212 114 A C 1.881 179.444 177.584 -0.036 0.000 1.198 114 A CA 1.537 53.570 52.037 -0.007 0.000 0.628 114 A CB -0.090 18.917 19.000 0.011 0.000 0.847 114 A HN 0.496 nan 8.150 nan 0.000 0.449 115 M N -2.907 116.650 119.600 -0.071 0.000 2.583 115 M HA 0.261 4.740 4.480 -0.001 0.000 0.217 115 M C 0.175 176.379 176.300 -0.160 0.000 1.655 115 M CA 0.269 55.476 55.300 -0.155 0.000 1.114 115 M CB 0.423 32.863 32.600 -0.266 0.000 1.384 115 M HN 0.365 nan 8.290 nan 0.000 0.562 116 N N 2.110 120.741 118.700 -0.115 0.000 2.608 116 N HA -0.098 4.641 4.740 -0.001 0.000 0.273 116 N C -2.289 173.107 175.510 -0.190 0.000 1.133 116 N CA 0.189 53.200 53.050 -0.065 0.000 0.726 116 N CB -0.035 38.445 38.487 -0.011 0.000 0.890 116 N HN 0.164 nan 8.380 nan 0.000 0.548 117 P HA 0.136 nan 4.420 nan 0.000 0.261 117 P C -0.573 176.493 177.300 -0.390 0.000 1.352 117 P CA 0.230 62.977 63.100 -0.589 0.000 0.891 117 P CB -0.205 31.028 31.700 -0.778 0.000 1.383 118 Y N 0.838 121.112 120.300 -0.044 0.000 2.299 118 Y HA 0.514 5.063 4.550 -0.002 0.000 0.326 118 Y C 1.164 177.076 175.900 0.020 0.000 1.164 118 Y CA -0.998 57.109 58.100 0.012 0.000 1.234 118 Y CB 0.889 39.354 38.460 0.009 0.000 1.219 118 Y HN -0.070 nan 8.280 nan 0.000 0.497 119 A N 2.469 125.409 122.820 0.201 0.000 2.306 119 A HA 0.613 4.932 4.320 -0.001 0.000 0.330 119 A C -0.110 177.540 177.584 0.110 0.000 1.146 119 A CA -1.006 51.108 52.037 0.128 0.000 0.827 119 A CB 0.670 19.737 19.000 0.112 0.000 1.178 119 A HN 0.802 nan 8.150 nan 0.000 0.490 120 R N 0.758 121.303 120.500 0.076 0.000 3.688 120 R HA 0.442 4.781 4.340 -0.001 0.000 0.194 120 R C -1.315 175.016 176.300 0.052 0.000 1.677 120 R CA 0.536 56.669 56.100 0.055 0.000 1.351 120 R CB -1.323 29.001 30.300 0.040 0.000 1.338 120 R HN 0.575 nan 8.270 nan 0.000 0.731 121 L N 3.344 124.604 121.223 0.061 0.000 2.493 121 L HA 0.489 4.828 4.340 -0.001 0.000 0.265 121 L C -2.223 174.681 176.870 0.056 0.000 0.954 121 L CA -2.096 52.778 54.840 0.058 0.000 0.844 121 L CB 2.844 44.945 42.059 0.070 0.000 1.302 121 L HN 0.351 nan 8.230 nan 0.000 0.405 122 P HA 0.252 nan 4.420 nan 0.000 0.276 122 P C -2.602 174.724 177.300 0.043 0.000 1.235 122 P CA -1.413 61.707 63.100 0.035 0.000 0.772 122 P CB 0.120 31.835 31.700 0.024 0.000 0.871 123 P HA -0.115 nan 4.420 nan 0.000 0.259 123 P C 0.667 177.991 177.300 0.040 0.000 1.163 123 P CA 0.719 63.847 63.100 0.046 0.000 0.760 123 P CB 0.321 32.042 31.700 0.035 0.000 0.762 124 K N 2.424 122.851 120.400 0.046 0.000 2.494 124 K HA 0.197 4.516 4.320 -0.001 0.000 0.244 124 K C 0.179 176.810 176.600 0.051 0.000 1.137 124 K CA -0.363 55.953 56.287 0.047 0.000 0.872 124 K CB -0.356 32.177 32.500 0.056 0.000 1.456 124 K HN 0.151 nan 8.250 nan 0.000 0.435 125 D N 0.756 121.187 120.400 0.051 0.000 2.372 125 D HA 0.055 4.694 4.640 -0.001 0.000 0.243 125 D C -0.550 175.803 176.300 0.089 0.000 1.297 125 D CA -0.137 53.908 54.000 0.076 0.000 0.958 125 D CB 0.379 41.222 40.800 0.072 0.000 1.114 125 D HN 0.110 nan 8.370 nan 0.000 0.496 126 F N -0.060 119.870 119.950 -0.032 0.000 2.377 126 F HA 0.475 5.001 4.527 -0.002 0.000 0.328 126 F C -0.503 175.267 175.800 -0.050 0.000 1.094 126 F CA -0.734 57.250 58.000 -0.026 0.000 1.093 126 F CB 0.593 39.594 39.000 0.001 0.000 1.214 126 F HN 0.111 nan 8.300 nan 0.000 0.518 127 I N 4.546 124.460 120.570 -1.095 0.000 2.410 127 I HA 0.169 4.338 4.170 -0.001 0.000 0.286 127 I C -0.892 174.387 176.117 -1.397 0.000 1.009 127 I CA -0.874 59.818 61.300 -1.013 0.000 1.111 127 I CB 1.791 39.545 38.000 -0.410 0.000 1.262 127 I HN 0.563 nan 8.210 nan 0.000 0.443 128 Q N 3.742 122.875 119.800 -1.111 0.000 2.359 128 Q HA 0.050 4.389 4.340 -0.001 0.000 0.249 128 Q C 0.900 176.743 176.000 -0.262 0.000 1.181 128 Q CA 0.350 55.880 55.803 -0.455 0.000 0.897 128 Q CB 0.731 29.395 28.738 -0.124 0.000 1.424 128 Q HN 0.707 nan 8.270 nan 0.000 0.478 129 T N 2.148 116.609 114.554 -0.156 0.000 3.067 129 T HA 0.144 4.494 4.350 -0.001 0.000 0.261 129 T C 1.219 175.896 174.700 -0.037 0.000 1.110 129 T CA 1.144 63.199 62.100 -0.075 0.000 1.113 129 T CB -0.208 68.636 68.868 -0.040 0.000 0.917 129 T HN 0.969 nan 8.240 nan 0.000 0.499 130 G N 0.793 109.579 108.800 -0.023 0.000 2.225 130 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.254 130 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.254 130 G C 0.143 175.015 174.900 -0.047 0.000 0.988 130 G CA 0.237 45.324 45.100 -0.022 0.000 0.625 130 G HN 0.580 nan 8.290 nan 0.000 0.527 131 I N 1.447 121.982 120.570 -0.058 0.000 2.377 131 I HA 0.395 4.564 4.170 -0.001 0.000 0.293 131 I C 1.594 177.630 176.117 -0.134 0.000 0.987 131 I CA -0.394 60.838 61.300 -0.113 0.000 1.185 131 I CB 1.782 39.712 38.000 -0.116 0.000 1.341 131 I HN -0.002 nan 8.210 nan 0.000 0.455 132 S N 2.404 117.936 115.700 -0.279 0.000 2.356 132 S HA -0.171 4.299 4.470 -0.001 0.000 0.223 132 S C 2.082 176.554 174.600 -0.214 0.000 1.032 132 S CA 2.040 59.998 58.200 -0.404 0.000 1.005 132 S CB -0.255 62.296 63.200 -1.081 0.000 0.867 132 S HN 0.909 nan 8.310 nan 0.000 0.449 133 T N 0.409 114.829 114.554 -0.224 0.000 2.897 133 T HA 0.022 4.371 4.350 -0.001 0.000 0.271 133 T C 1.547 176.299 174.700 0.086 0.000 1.084 133 T CA 0.999 63.107 62.100 0.013 0.000 1.123 133 T CB -0.497 68.348 68.868 -0.038 0.000 0.865 133 T HN 0.353 nan 8.240 nan 0.000 0.496 134 I N 0.789 121.382 120.570 0.038 0.000 2.834 134 I HA 0.091 4.261 4.170 -0.001 0.000 0.239 134 I C 2.420 178.619 176.117 0.138 0.000 1.073 134 I CA 0.544 61.888 61.300 0.073 0.000 1.459 134 I CB -0.146 37.872 38.000 0.031 0.000 1.288 134 I HN -0.009 nan 8.210 nan 0.000 0.455 135 D N 1.366 121.851 120.400 0.143 0.000 2.092 135 D HA -0.158 4.482 4.640 -0.001 0.000 0.193 135 D C 2.093 178.595 176.300 0.336 0.000 0.994 135 D CA 1.882 56.049 54.000 0.278 0.000 0.828 135 D CB -0.616 40.341 40.800 0.262 0.000 0.963 135 D HN 0.428 nan 8.370 nan 0.000 0.450 136 G N -0.032 108.923 108.800 0.258 0.000 2.434 136 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.214 136 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.214 136 G C 1.702 176.864 174.900 0.436 0.000 1.202 136 G CA 2.093 47.389 45.100 0.327 0.000 0.788 136 G HN 0.436 nan 8.290 nan 0.000 0.539 137 T N -1.696 113.066 114.554 0.347 0.000 2.983 137 T HA 0.072 4.421 4.350 -0.001 0.000 0.250 137 T C 1.232 176.039 174.700 0.178 0.000 1.037 137 T CA 0.792 63.056 62.100 0.274 0.000 1.142 137 T CB -0.068 69.010 68.868 0.350 0.000 0.876 137 T HN 0.281 nan 8.240 nan 0.000 0.455 138 N N 1.674 120.476 118.700 0.169 0.000 2.699 138 N HA 0.273 5.012 4.740 -0.001 0.000 0.317 138 N C -1.078 174.495 175.510 0.105 0.000 1.661 138 N CA -0.353 52.761 53.050 0.108 0.000 0.979 138 N CB 0.722 39.270 38.487 0.100 0.000 1.329 138 N HN 0.154 nan 8.380 nan 0.000 0.497 139 T N 1.307 115.937 114.554 0.127 0.000 2.830 139 T HA -0.135 4.214 4.350 -0.001 0.000 0.282 139 T C 0.109 174.883 174.700 0.124 0.000 1.024 139 T CA 0.330 62.536 62.100 0.177 0.000 1.144 139 T CB 0.373 69.328 68.868 0.146 0.000 1.035 139 T HN 0.161 nan 8.240 nan 0.000 0.507 140 L N 6.620 127.910 121.223 0.110 0.000 2.265 140 L HA 0.544 4.883 4.340 -0.001 0.000 0.288 140 L C -0.133 176.740 176.870 0.005 0.000 1.058 140 L CA -0.486 54.373 54.840 0.033 0.000 0.809 140 L CB 0.659 42.713 42.059 -0.009 0.000 1.179 140 L HN 0.548 nan 8.230 nan 0.000 0.429 141 V N 2.761 122.688 119.914 0.021 0.000 2.713 141 V HA 0.608 4.728 4.120 -0.001 0.000 0.307 141 V C 0.274 176.362 176.094 -0.011 0.000 1.052 141 V CA -1.058 61.250 62.300 0.014 0.000 0.967 141 V CB 1.281 33.127 31.823 0.038 0.000 1.019 141 V HN 0.751 nan 8.190 nan 0.000 0.459 142 R N 2.836 123.310 120.500 -0.043 0.000 2.446 142 R HA 0.445 4.784 4.340 -0.001 0.000 0.325 142 R C 1.145 177.456 176.300 0.018 0.000 0.997 142 R CA 0.801 56.862 56.100 -0.064 0.000 1.010 142 R CB -0.039 30.128 30.300 -0.221 0.000 0.946 142 R HN 1.521 nan 8.270 nan 0.000 0.422 143 G N 1.887 110.719 108.800 0.053 0.000 2.148 143 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.203 143 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.203 143 G C 0.007 174.939 174.900 0.053 0.000 0.993 143 G CA -0.421 44.729 45.100 0.083 0.000 0.661 143 G HN 0.572 nan 8.290 nan 0.000 0.518 144 Q N 0.007 119.833 119.800 0.043 0.000 2.221 144 Q HA 0.629 4.968 4.340 -0.001 0.000 0.242 144 Q C -0.126 175.901 176.000 0.046 0.000 0.940 144 Q CA -0.539 55.284 55.803 0.033 0.000 0.896 144 Q CB 0.590 29.345 28.738 0.028 0.000 1.226 144 Q HN 0.217 nan 8.270 nan 0.000 0.463 145 K N 3.036 123.462 120.400 0.043 0.000 2.423 145 K HA 0.283 4.602 4.320 -0.001 0.000 0.234 145 K C -1.362 175.284 176.600 0.078 0.000 1.051 145 K CA -0.385 55.950 56.287 0.081 0.000 1.021 145 K CB 0.673 33.221 32.500 0.078 0.000 1.474 145 K HN 0.274 nan 8.250 nan 0.000 0.474 146 L N 5.302 126.566 121.223 0.068 0.000 2.337 146 L HA 0.414 4.754 4.340 -0.001 0.000 0.269 146 L C -2.583 174.312 176.870 0.043 0.000 1.018 146 L CA -2.259 52.611 54.840 0.050 0.000 0.876 146 L CB 0.712 42.795 42.059 0.039 0.000 1.236 146 L HN 0.305 nan 8.230 nan 0.000 0.436 147 P HA 0.277 nan 4.420 nan 0.000 0.276 147 P C -0.613 176.702 177.300 0.025 0.000 1.252 147 P CA -0.236 62.867 63.100 0.006 0.000 0.802 147 P CB 1.309 33.010 31.700 0.002 0.000 1.035 148 I N 1.705 122.275 120.570 -0.000 0.000 2.347 148 I HA 0.223 4.392 4.170 -0.001 0.000 0.283 148 I C 0.340 176.467 176.117 0.017 0.000 1.058 148 I CA -0.815 60.498 61.300 0.021 0.000 1.202 148 I CB -0.157 37.846 38.000 0.004 0.000 1.386 148 I HN 0.201 nan 8.210 nan 0.000 0.475 149 F N 6.117 126.029 119.950 -0.063 0.000 2.533 149 F HA 0.224 4.750 4.527 -0.001 0.000 0.378 149 F C 0.714 176.468 175.800 -0.078 0.000 1.070 149 F CA 0.846 58.802 58.000 -0.073 0.000 1.172 149 F CB 0.558 39.531 39.000 -0.045 0.000 1.085 149 F HN 0.432 nan 8.300 nan 0.000 0.552 150 S N 3.829 119.242 115.700 -0.479 0.000 2.851 150 S HA 0.956 5.425 4.470 -0.001 0.000 0.317 150 S C -0.888 173.445 174.600 -0.445 0.000 1.144 150 S CA -0.098 57.894 58.200 -0.347 0.000 0.862 150 S CB 1.257 64.223 63.200 -0.390 0.000 1.259 150 S HN 0.971 nan 8.310 nan 0.000 0.564 151 A N 0.440 123.107 122.820 -0.255 0.000 2.524 151 A HA 0.809 5.128 4.320 -0.001 0.000 0.289 151 A C -0.607 176.924 177.584 -0.088 0.000 1.248 151 A CA -0.593 51.334 52.037 -0.184 0.000 0.712 151 A CB 0.638 19.588 19.000 -0.083 0.000 1.312 151 A HN 0.733 nan 8.150 nan 0.000 0.441 152 S N -0.071 115.604 115.700 -0.042 0.000 2.552 152 S HA 0.400 4.869 4.470 -0.001 0.000 0.289 152 S C 1.125 175.746 174.600 0.035 0.000 1.304 152 S CA 1.053 59.262 58.200 0.015 0.000 1.063 152 S CB 0.237 63.442 63.200 0.009 0.000 0.848 152 S HN 2.348 nan 8.310 nan 0.000 0.499 153 G N 2.336 111.172 108.800 0.060 0.000 2.366 153 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.299 153 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.299 153 G C -0.286 174.562 174.900 -0.087 0.000 1.020 153 G CA 0.105 45.207 45.100 0.003 0.000 1.026 153 G HN 0.552 nan 8.290 nan 0.000 0.512 154 L N -1.074 120.127 121.223 -0.037 0.000 2.323 154 L HA 0.448 4.787 4.340 -0.001 0.000 0.265 154 L C -1.591 175.169 176.870 -0.184 0.000 1.012 154 L CA -2.646 52.104 54.840 -0.151 0.000 0.820 154 L CB 2.324 44.380 42.059 -0.005 0.000 1.334 154 L HN -0.140 nan 8.230 nan 0.000 0.427 155 P HA -0.053 nan 4.420 nan 0.000 0.259 155 P C 0.816 178.029 177.300 -0.144 0.000 1.307 155 P CA 0.345 63.382 63.100 -0.105 0.000 0.768 155 P CB -0.364 31.377 31.700 0.069 0.000 1.199 156 H N -0.954 118.087 119.070 -0.049 0.000 2.319 156 H HA -0.153 4.402 4.556 -0.001 0.000 0.297 156 H C 1.139 176.471 175.328 0.007 0.000 1.097 156 H CA 1.404 57.426 56.048 -0.043 0.000 1.285 156 H CB -1.259 28.470 29.762 -0.056 0.000 1.368 156 H HN 0.093 nan 8.280 nan 0.000 0.495 157 N N 1.041 119.607 118.700 -0.223 0.000 2.272 157 N HA -0.115 4.624 4.740 -0.001 0.000 0.185 157 N C 1.810 177.350 175.510 0.049 0.000 1.014 157 N CA 1.283 54.347 53.050 0.022 0.000 0.870 157 N CB -0.064 38.465 38.487 0.071 0.000 0.975 157 N HN 0.550 nan 8.380 nan 0.000 0.433 158 E N 0.369 120.579 120.200 0.016 0.000 2.112 158 E HA -0.018 4.331 4.350 -0.001 0.000 0.190 158 E C 1.990 178.596 176.600 0.010 0.000 0.979 158 E CA 0.348 56.788 56.400 0.068 0.000 0.814 158 E CB -0.151 29.501 29.700 -0.081 0.000 0.762 158 E HN 0.348 nan 8.360 nan 0.000 0.460 159 I N 1.832 122.392 120.570 -0.017 0.000 2.179 159 I HA -0.198 3.971 4.170 -0.001 0.000 0.242 159 I C 2.537 178.660 176.117 0.010 0.000 1.088 159 I CA 1.182 62.450 61.300 -0.055 0.000 1.357 159 I CB -1.643 36.289 38.000 -0.113 0.000 1.051 159 I HN -0.035 nan 8.210 nan 0.000 0.409 160 A N 1.698 124.552 122.820 0.057 0.000 1.859 160 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 160 A C 2.460 180.132 177.584 0.146 0.000 1.198 160 A CA 1.838 53.956 52.037 0.134 0.000 0.629 160 A CB -1.167 17.949 19.000 0.194 0.000 0.830 160 A HN 0.414 nan 8.150 nan 0.000 0.446 161 L N -1.043 120.202 121.223 0.036 0.000 2.043 161 L HA -0.293 4.046 4.340 -0.001 0.000 0.212 161 L C 2.955 179.774 176.870 -0.085 0.000 1.075 161 L CA 2.021 56.762 54.840 -0.165 0.000 0.752 161 L CB -0.426 41.525 42.059 -0.179 0.000 0.891 161 L HN 0.599 nan 8.230 nan 0.000 0.432 162 Q N 0.016 119.824 119.800 0.014 0.000 2.119 162 Q HA -0.188 4.151 4.340 -0.001 0.000 0.201 162 Q C 2.318 178.334 176.000 0.028 0.000 0.972 162 Q CA 1.348 57.170 55.803 0.032 0.000 0.847 162 Q CB 0.030 28.784 28.738 0.026 0.000 0.903 162 Q HN 0.528 nan 8.270 nan 0.000 0.433 163 I N 0.399 120.994 120.570 0.042 0.000 2.179 163 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 163 I C 2.425 178.612 176.117 0.117 0.000 1.088 163 I CA 1.034 62.374 61.300 0.068 0.000 1.357 163 I CB -0.413 37.634 38.000 0.077 0.000 1.051 163 I HN 0.207 nan 8.210 nan 0.000 0.409 164 A N 0.850 123.756 122.820 0.144 0.000 1.917 164 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 164 A C 2.392 180.068 177.584 0.153 0.000 1.182 164 A CA 1.794 53.961 52.037 0.216 0.000 0.633 164 A CB -0.630 18.541 19.000 0.284 0.000 0.819 164 A HN 0.341 nan 8.150 nan 0.000 0.448 165 R N -1.081 119.436 120.500 0.029 0.000 2.092 165 R HA -0.084 4.255 4.340 -0.001 0.000 0.231 165 R C 2.333 178.670 176.300 0.061 0.000 1.119 165 R CA 1.673 57.786 56.100 0.021 0.000 0.970 165 R CB -0.183 30.098 30.300 -0.033 0.000 0.864 165 R HN 0.693 nan 8.270 nan 0.000 0.440 166 Q N -0.232 119.602 119.800 0.058 0.000 2.349 166 Q HA 0.227 4.566 4.340 -0.001 0.000 0.209 166 Q C 0.259 176.264 176.000 0.008 0.000 0.920 166 Q CA 0.030 55.852 55.803 0.031 0.000 0.901 166 Q CB 0.491 29.237 28.738 0.014 0.000 1.021 166 Q HN 0.199 nan 8.270 nan 0.000 0.519 167 A N 1.752 124.600 122.820 0.046 0.000 2.587 167 A HA 0.232 4.551 4.320 -0.001 0.000 0.235 167 A C 0.194 177.554 177.584 -0.373 0.000 1.044 167 A CA 0.672 52.680 52.037 -0.048 0.000 0.754 167 A CB 0.001 19.124 19.000 0.205 0.000 0.968 167 A HN 0.313 nan 8.150 nan 0.000 0.509 168 S N -0.292 114.988 115.700 -0.699 0.000 2.588 168 S HA 0.605 5.074 4.470 -0.001 0.000 0.269 168 S C -0.775 173.349 174.600 -0.793 0.000 1.157 168 S CA -0.132 57.520 58.200 -0.913 0.000 0.824 168 S CB 1.310 64.291 63.200 -0.365 0.000 1.126 168 S HN 1.922 nan 8.310 nan 0.000 0.464 169 V N -1.318 118.243 119.914 -0.587 0.000 2.276 169 V HA 0.580 4.699 4.120 -0.001 0.000 0.268 169 V C -3.123 172.938 176.094 -0.054 0.000 1.032 169 V CA -2.059 60.088 62.300 -0.254 0.000 0.810 169 V CB -0.215 31.567 31.823 -0.068 0.000 1.060 169 V HN 0.687 nan 8.190 nan 0.000 0.446 170 P HA 0.419 nan 4.420 nan 0.000 0.271 170 P C 1.242 178.601 177.300 0.099 0.000 1.216 170 P CA 1.595 64.737 63.100 0.070 0.000 0.771 170 P CB 1.224 33.000 31.700 0.127 0.000 0.864 171 G N 2.112 110.959 108.800 0.079 0.000 2.498 171 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.229 171 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.229 171 G C 0.677 175.630 174.900 0.088 0.000 1.156 171 G CA 0.293 45.441 45.100 0.080 0.000 0.680 171 G HN 0.797 nan 8.290 nan 0.000 0.512 172 S N 2.155 117.921 115.700 0.111 0.000 2.575 172 S HA 0.290 4.760 4.470 -0.001 0.000 0.295 172 S C 1.738 176.406 174.600 0.114 0.000 1.267 172 S CA 0.987 59.273 58.200 0.144 0.000 1.074 172 S CB 0.524 63.864 63.200 0.233 0.000 0.829 172 S HN 0.628 nan 8.310 nan 0.000 0.497 173 E N 3.242 123.494 120.200 0.087 0.000 2.427 173 E HA 0.005 4.354 4.350 -0.001 0.000 0.196 173 E C 0.191 176.810 176.600 0.032 0.000 1.028 173 E CA 0.136 56.567 56.400 0.053 0.000 0.864 173 E CB -0.245 29.476 29.700 0.035 0.000 0.813 173 E HN 0.435 nan 8.360 nan 0.000 0.514 174 S N 1.189 116.899 115.700 0.015 0.000 2.548 174 S HA 0.430 4.899 4.470 -0.001 0.000 0.277 174 S C 0.054 174.677 174.600 0.039 0.000 1.315 174 S CA -0.251 57.912 58.200 -0.062 0.000 1.050 174 S CB 1.242 64.233 63.200 -0.347 0.000 0.918 174 S HN 0.430 nan 8.310 nan 0.000 0.497 175 A N 3.035 125.875 122.820 0.033 0.000 2.450 175 A HA 0.434 4.754 4.320 -0.001 0.000 0.255 175 A C -0.366 177.310 177.584 0.154 0.000 1.096 175 A CA -0.205 51.888 52.037 0.092 0.000 0.778 175 A CB -0.259 18.772 19.000 0.051 0.000 1.031 175 A HN 0.689 nan 8.150 nan 0.000 0.494 176 F N 2.462 122.448 119.950 0.060 0.000 2.385 176 F HA 0.594 5.120 4.527 -0.002 0.000 0.336 176 F C 0.322 176.167 175.800 0.074 0.000 1.100 176 F CA 0.132 58.186 58.000 0.089 0.000 1.116 176 F CB 1.191 40.244 39.000 0.089 0.000 1.166 176 F HN 0.789 nan 8.300 nan 0.000 0.511 177 A N 4.319 126.711 122.820 -0.714 0.000 2.572 177 A HA 0.764 5.083 4.320 -0.001 0.000 0.295 177 A C -1.983 175.239 177.584 -0.603 0.000 1.072 177 A CA -0.703 51.058 52.037 -0.460 0.000 0.691 177 A CB 1.553 20.440 19.000 -0.188 0.000 1.291 177 A HN 0.563 nan 8.150 nan 0.000 0.404 178 V N 1.216 120.982 119.914 -0.247 0.000 2.487 178 V HA 0.511 4.630 4.120 -0.001 0.000 0.298 178 V C -0.582 175.527 176.094 0.026 0.000 1.028 178 V CA -0.598 61.653 62.300 -0.082 0.000 0.860 178 V CB 1.564 33.448 31.823 0.101 0.000 0.991 178 V HN 0.669 nan 8.190 nan 0.000 0.427 179 V N 5.495 125.450 119.914 0.068 0.000 2.328 179 V HA 0.423 4.542 4.120 -0.001 0.000 0.278 179 V C -0.522 175.688 176.094 0.194 0.000 1.021 179 V CA -0.378 62.006 62.300 0.140 0.000 0.838 179 V CB 1.239 33.162 31.823 0.167 0.000 0.999 179 V HN 0.706 nan 8.190 nan 0.000 0.447 180 F N 4.061 124.037 119.950 0.044 0.000 2.404 180 F HA 0.765 5.291 4.527 -0.001 0.000 0.339 180 F C 0.337 176.229 175.800 0.153 0.000 1.105 180 F CA -0.335 57.698 58.000 0.056 0.000 1.087 180 F CB 1.401 40.346 39.000 -0.093 0.000 1.143 180 F HN 0.512 nan 8.300 nan 0.000 0.491 181 A N 4.394 127.096 122.820 -0.196 0.000 2.375 181 A HA 0.804 5.123 4.320 -0.001 0.000 0.295 181 A C -1.490 176.069 177.584 -0.040 0.000 1.066 181 A CA -0.402 51.645 52.037 0.016 0.000 0.722 181 A CB 0.708 19.691 19.000 -0.028 0.000 1.206 181 A HN 1.063 nan 8.150 nan 0.000 0.435 182 A N 2.642 125.581 122.820 0.198 0.000 2.318 182 A HA 0.797 5.116 4.320 -0.001 0.000 0.324 182 A C -0.593 177.091 177.584 0.167 0.000 1.170 182 A CA -0.372 51.816 52.037 0.251 0.000 0.810 182 A CB 0.523 19.800 19.000 0.460 0.000 1.198 182 A HN 0.785 nan 8.150 nan 0.000 0.484 183 M N 2.001 121.680 119.600 0.132 0.000 2.167 183 M HA 0.516 4.995 4.480 -0.001 0.000 0.333 183 M C 0.978 177.331 176.300 0.088 0.000 1.030 183 M CA 0.848 56.213 55.300 0.109 0.000 0.963 183 M CB 1.767 34.440 32.600 0.122 0.000 1.589 183 M HN 1.443 nan 8.290 nan 0.000 0.431 184 G N 3.350 112.189 108.800 0.065 0.000 2.321 184 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.287 184 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.287 184 G C 0.133 175.049 174.900 0.027 0.000 1.018 184 G CA 0.720 45.842 45.100 0.037 0.000 0.855 184 G HN 0.870 nan 8.290 nan 0.000 0.507 185 I N -2.630 117.959 120.570 0.031 0.000 3.378 185 I HA 0.732 4.901 4.170 -0.001 0.000 0.284 185 I C 0.862 176.958 176.117 -0.035 0.000 1.157 185 I CA -0.245 61.047 61.300 -0.013 0.000 1.193 185 I CB 0.549 38.513 38.000 -0.061 0.000 1.461 185 I HN 0.136 nan 8.210 nan 0.000 0.674 186 T N -0.059 114.453 114.554 -0.070 0.000 2.923 186 T HA 0.275 4.625 4.350 -0.001 0.000 0.281 186 T C 0.974 175.634 174.700 -0.066 0.000 0.995 186 T CA -0.616 61.452 62.100 -0.053 0.000 0.985 186 T CB 0.945 69.788 68.868 -0.042 0.000 1.114 186 T HN 0.694 nan 8.240 nan 0.000 0.548 187 N N 0.769 119.447 118.700 -0.037 0.000 2.120 187 N HA -0.121 4.618 4.740 -0.001 0.000 0.188 187 N C 1.529 177.021 175.510 -0.031 0.000 1.024 187 N CA 1.317 54.350 53.050 -0.029 0.000 0.852 187 N CB -0.048 38.432 38.487 -0.012 0.000 1.003 187 N HN 0.611 nan 8.380 nan 0.000 0.424 188 E N 1.323 121.510 120.200 -0.023 0.000 2.038 188 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 188 E C 1.766 178.368 176.600 0.005 0.000 1.000 188 E CA 1.157 57.561 56.400 0.006 0.000 0.803 188 E CB -0.105 29.606 29.700 0.018 0.000 0.750 188 E HN 0.423 nan 8.360 nan 0.000 0.448 189 E N -0.221 119.913 120.200 -0.109 0.000 2.204 189 E HA -0.109 4.240 4.350 -0.001 0.000 0.194 189 E C 1.953 178.258 176.600 -0.491 0.000 0.989 189 E CA 0.687 56.891 56.400 -0.327 0.000 0.824 189 E CB -0.071 29.350 29.700 -0.464 0.000 0.756 189 E HN 0.275 nan 8.360 nan 0.000 0.477 190 A N 1.104 123.771 122.820 -0.255 0.000 1.930 190 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 190 A C 2.058 179.642 177.584 -0.001 0.000 1.175 190 A CA 1.064 53.023 52.037 -0.130 0.000 0.627 190 A CB -0.135 18.836 19.000 -0.048 0.000 0.815 190 A HN 0.079 nan 8.150 nan 0.000 0.443 191 Q N -1.746 118.062 119.800 0.012 0.000 2.172 191 Q HA -0.089 4.251 4.340 -0.001 0.000 0.200 191 Q C 1.768 177.823 176.000 0.091 0.000 0.964 191 Q CA 1.215 57.044 55.803 0.044 0.000 0.855 191 Q CB -0.602 28.145 28.738 0.014 0.000 0.918 191 Q HN 0.851 nan 8.270 nan 0.000 0.444 192 Y N 0.134 120.436 120.300 0.003 0.000 2.181 192 Y HA -0.200 4.349 4.550 -0.001 0.000 0.288 192 Y C 1.903 177.978 175.900 0.293 0.000 1.146 192 Y CA 1.486 59.646 58.100 0.100 0.000 1.164 192 Y CB -0.076 38.439 38.460 0.091 0.000 0.982 192 Y HN 0.034 nan 8.280 nan 0.000 0.515 193 F N -1.533 118.567 119.950 0.251 0.000 2.094 193 F HA -0.262 4.264 4.527 -0.001 0.000 0.291 193 F C 2.651 178.570 175.800 0.199 0.000 1.109 193 F CA 0.594 58.714 58.000 0.200 0.000 1.221 193 F CB -0.460 38.661 39.000 0.202 0.000 1.014 193 F HN 0.011 nan 8.300 nan 0.000 0.473 194 M N 0.137 119.949 119.600 0.353 0.000 2.089 194 M HA -0.286 4.193 4.480 -0.001 0.000 0.257 194 M C 2.460 178.849 176.300 0.148 0.000 1.071 194 M CA 2.055 57.478 55.300 0.205 0.000 1.096 194 M CB -0.396 32.272 32.600 0.114 0.000 1.330 194 M HN 0.167 nan 8.290 nan 0.000 0.403 195 S N -0.031 115.726 115.700 0.094 0.000 2.348 195 S HA -0.225 4.245 4.470 -0.001 0.000 0.221 195 S C 1.428 176.027 174.600 -0.000 0.000 1.033 195 S CA 2.198 60.408 58.200 0.017 0.000 1.010 195 S CB -0.451 62.721 63.200 -0.047 0.000 0.891 195 S HN 0.679 nan 8.310 nan 0.000 0.442 196 D N -0.289 120.104 120.400 -0.012 0.000 2.087 196 D HA -0.126 4.513 4.640 -0.001 0.000 0.192 196 D C 1.696 177.944 176.300 -0.087 0.000 0.993 196 D CA 1.622 55.566 54.000 -0.093 0.000 0.828 196 D CB -0.424 40.295 40.800 -0.135 0.000 0.968 196 D HN 0.502 nan 8.370 nan 0.000 0.448 197 F N 0.554 120.468 119.950 -0.060 0.000 2.236 197 F HA -0.127 4.399 4.527 -0.002 0.000 0.302 197 F C 2.417 178.187 175.800 -0.050 0.000 1.073 197 F CA 1.138 59.090 58.000 -0.080 0.000 1.336 197 F CB 0.026 38.954 39.000 -0.120 0.000 1.040 197 F HN 0.103 nan 8.300 nan 0.000 0.507 198 E N -0.013 120.267 120.200 0.133 0.000 2.030 198 E HA -0.168 4.181 4.350 -0.001 0.000 0.189 198 E C 2.069 178.686 176.600 0.028 0.000 0.974 198 E CA 1.176 57.616 56.400 0.068 0.000 0.807 198 E CB -0.022 29.703 29.700 0.041 0.000 0.771 198 E HN 0.318 nan 8.360 nan 0.000 0.451 199 K N 0.650 121.050 120.400 -0.000 0.000 2.217 199 K HA -0.048 4.271 4.320 -0.001 0.000 0.202 199 K C 1.914 178.499 176.600 -0.026 0.000 1.051 199 K CA 1.701 57.975 56.287 -0.022 0.000 0.952 199 K CB -0.661 31.813 32.500 -0.045 0.000 0.736 199 K HN 0.081 nan 8.250 nan 0.000 0.453 200 T N -3.441 111.093 114.554 -0.033 0.000 3.035 200 T HA 0.175 4.524 4.350 -0.001 0.000 0.268 200 T C 1.761 176.459 174.700 -0.003 0.000 1.109 200 T CA 0.574 62.653 62.100 -0.035 0.000 1.119 200 T CB -0.373 68.451 68.868 -0.073 0.000 0.900 200 T HN 0.513 nan 8.240 nan 0.000 0.503 201 G N 1.330 110.142 108.800 0.020 0.000 2.258 201 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.233 201 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.233 201 G C 0.530 175.470 174.900 0.067 0.000 1.006 201 G CA -0.199 44.923 45.100 0.036 0.000 0.620 201 G HN 1.286 nan 8.290 nan 0.000 0.511 202 A N 0.069 122.942 122.820 0.089 0.000 2.981 202 A HA 0.678 4.997 4.320 -0.001 0.000 0.280 202 A C 1.091 178.812 177.584 0.228 0.000 1.797 202 A CA 1.242 53.369 52.037 0.150 0.000 1.456 202 A CB -0.082 19.007 19.000 0.148 0.000 1.057 202 A HN 1.263 nan 8.150 nan 0.000 0.602 203 L N 0.173 121.474 121.223 0.129 0.000 3.048 203 L HA 0.352 4.691 4.340 -0.001 0.000 0.278 203 L C 1.133 178.017 176.870 0.023 0.000 1.057 203 L CA 0.929 55.812 54.840 0.072 0.000 1.073 203 L CB 0.147 42.240 42.059 0.056 0.000 1.802 203 L HN 0.364 nan 8.230 nan 0.000 0.562 204 E N 0.865 121.086 120.200 0.035 0.000 2.505 204 E HA 0.031 4.380 4.350 -0.001 0.000 0.197 204 E C 1.038 177.654 176.600 0.026 0.000 1.111 204 E CA 0.350 56.763 56.400 0.021 0.000 0.887 204 E CB -0.060 29.655 29.700 0.026 0.000 0.913 204 E HN 0.544 nan 8.360 nan 0.000 0.517 205 R N -1.948 118.573 120.500 0.036 0.000 2.539 205 R HA 0.499 4.838 4.340 -0.001 0.000 0.342 205 R C 0.070 176.371 176.300 0.001 0.000 0.941 205 R CA -0.103 56.015 56.100 0.030 0.000 1.146 205 R CB 0.597 30.948 30.300 0.085 0.000 1.541 205 R HN 0.001 nan 8.270 nan 0.000 0.525 206 A N 1.357 124.172 122.820 -0.008 0.000 2.318 206 A HA 0.619 4.939 4.320 -0.001 0.000 0.317 206 A C -0.567 176.940 177.584 -0.128 0.000 1.159 206 A CA -0.627 51.377 52.037 -0.055 0.000 0.799 206 A CB 1.708 20.668 19.000 -0.067 0.000 1.194 206 A HN 0.057 nan 8.150 nan 0.000 0.479 207 V N 3.621 123.463 119.914 -0.120 0.000 2.333 207 V HA 0.337 4.456 4.120 -0.001 0.000 0.274 207 V C -0.127 175.799 176.094 -0.280 0.000 1.028 207 V CA -0.449 61.720 62.300 -0.217 0.000 0.851 207 V CB 1.051 32.794 31.823 -0.132 0.000 1.000 207 V HN 0.599 nan 8.190 nan 0.000 0.456 208 V N 5.783 125.449 119.914 -0.414 0.000 2.394 208 V HA 0.486 4.605 4.120 -0.001 0.000 0.282 208 V C -0.521 175.352 176.094 -0.368 0.000 1.031 208 V CA -0.390 61.721 62.300 -0.315 0.000 0.881 208 V CB 1.239 32.806 31.823 -0.427 0.000 0.982 208 V HN 0.660 nan 8.190 nan 0.000 0.451 209 F N 5.291 125.279 119.950 0.064 0.000 2.375 209 F HA 0.586 5.113 4.527 -0.001 0.000 0.361 209 F C -0.015 175.860 175.800 0.125 0.000 1.117 209 F CA -0.445 57.593 58.000 0.065 0.000 1.037 209 F CB 1.239 40.262 39.000 0.040 0.000 1.192 209 F HN 0.198 nan 8.300 nan 0.000 0.452 210 L N 3.686 125.050 121.223 0.236 0.000 2.305 210 L HA 0.471 4.810 4.340 -0.001 0.000 0.284 210 L C -0.738 176.228 176.870 0.160 0.000 1.013 210 L CA -0.737 54.233 54.840 0.217 0.000 0.819 210 L CB 1.887 44.049 42.059 0.170 0.000 1.227 210 L HN 0.563 nan 8.230 nan 0.000 0.417 211 N N 3.938 122.727 118.700 0.149 0.000 2.410 211 N HA 0.575 5.314 4.740 -0.001 0.000 0.287 211 N C -1.131 174.424 175.510 0.075 0.000 1.044 211 N CA -0.662 52.446 53.050 0.097 0.000 0.881 211 N CB 1.423 39.961 38.487 0.085 0.000 1.405 211 N HN 0.422 nan 8.380 nan 0.000 0.490 212 L N 1.034 122.286 121.223 0.047 0.000 2.400 212 L HA 0.860 5.199 4.340 -0.001 0.000 0.264 212 L C 1.346 178.228 176.870 0.019 0.000 1.061 212 L CA -0.726 54.130 54.840 0.026 0.000 0.799 212 L CB 0.397 42.462 42.059 0.011 0.000 1.240 212 L HN 0.522 nan 8.230 nan 0.000 0.461 213 A N -0.921 121.905 122.820 0.010 0.000 2.178 213 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 213 A C 1.435 179.023 177.584 0.006 0.000 1.157 213 A CA 1.364 53.405 52.037 0.007 0.000 0.689 213 A CB -0.753 18.247 19.000 -0.000 0.000 0.787 213 A HN 0.901 nan 8.150 nan 0.000 0.465 214 D N 0.085 120.489 120.400 0.007 0.000 2.389 214 D HA 0.040 4.679 4.640 -0.001 0.000 0.206 214 D C -0.544 175.761 176.300 0.009 0.000 1.055 214 D CA 0.047 54.051 54.000 0.007 0.000 0.856 214 D CB 0.005 40.809 40.800 0.006 0.000 0.957 214 D HN 0.304 nan 8.370 nan 0.000 0.509 215 D N 2.684 123.091 120.400 0.012 0.000 2.417 215 D HA 0.081 4.720 4.640 -0.001 0.000 0.250 215 D C -2.143 174.163 176.300 0.009 0.000 1.166 215 D CA -1.253 52.754 54.000 0.013 0.000 0.881 215 D CB 0.473 41.284 40.800 0.019 0.000 1.164 215 D HN 0.024 nan 8.370 nan 0.000 0.467 216 P HA -0.137 nan 4.420 nan 0.000 0.262 216 P C 0.542 177.843 177.300 0.001 0.000 1.151 216 P CA 0.128 63.233 63.100 0.008 0.000 0.757 216 P CB 0.503 32.208 31.700 0.009 0.000 0.754 217 A N 4.213 127.034 122.820 0.003 0.000 2.032 217 A HA -0.195 4.124 4.320 -0.001 0.000 0.221 217 A C 2.039 179.613 177.584 -0.017 0.000 1.165 217 A CA 1.999 54.030 52.037 -0.009 0.000 0.645 217 A CB -1.292 17.705 19.000 -0.005 0.000 0.807 217 A HN 0.430 nan 8.150 nan 0.000 0.453 218 V N -0.229 119.686 119.914 0.001 0.000 2.332 218 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 218 V C 2.269 178.323 176.094 -0.066 0.000 1.055 218 V CA 2.313 64.614 62.300 0.002 0.000 1.038 218 V CB -0.882 30.958 31.823 0.028 0.000 0.651 218 V HN 0.651 nan 8.190 nan 0.000 0.450 219 E N -0.477 119.690 120.200 -0.055 0.000 2.274 219 E HA -0.104 4.245 4.350 -0.001 0.000 0.194 219 E C 2.478 179.035 176.600 -0.072 0.000 0.996 219 E CA 0.327 56.681 56.400 -0.077 0.000 0.840 219 E CB -0.046 29.635 29.700 -0.032 0.000 0.772 219 E HN 0.522 nan 8.360 nan 0.000 0.491 220 R N 0.605 121.078 120.500 -0.046 0.000 2.066 220 R HA -0.119 4.220 4.340 -0.001 0.000 0.232 220 R C 2.565 178.863 176.300 -0.004 0.000 1.131 220 R CA 1.430 57.522 56.100 -0.014 0.000 0.955 220 R CB -0.582 29.709 30.300 -0.014 0.000 0.851 220 R HN 0.335 nan 8.270 nan 0.000 0.432 221 I N -1.464 119.055 120.570 -0.086 0.000 2.676 221 I HA -0.094 4.075 4.170 -0.001 0.000 0.259 221 I C 1.854 177.940 176.117 -0.052 0.000 1.194 221 I CA 0.925 62.201 61.300 -0.039 0.000 1.473 221 I CB -0.242 37.702 38.000 -0.093 0.000 1.096 221 I HN -0.200 nan 8.210 nan 0.000 0.443 222 V N 1.360 121.053 119.914 -0.369 0.000 2.951 222 V HA -0.128 3.991 4.120 -0.001 0.000 0.255 222 V C 2.528 178.466 176.094 -0.261 0.000 1.088 222 V CA 1.938 63.893 62.300 -0.576 0.000 1.109 222 V CB -0.798 30.630 31.823 -0.659 0.000 0.724 222 V HN 0.476 nan 8.190 nan 0.000 0.471 223 T N 1.538 116.010 114.554 -0.137 0.000 2.635 223 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 223 T C 0.061 174.643 174.700 -0.197 0.000 1.040 223 T CA 2.139 64.163 62.100 -0.126 0.000 1.156 223 T CB -1.397 67.467 68.868 -0.006 0.000 0.863 223 T HN 0.492 nan 8.240 nan 0.000 0.430 224 P HA -0.035 nan 4.420 nan 0.000 0.217 224 P C 1.362 178.577 177.300 -0.142 0.000 1.150 224 P CA 1.186 64.208 63.100 -0.130 0.000 0.832 224 P CB -0.019 31.603 31.700 -0.130 0.000 0.787 225 R N -0.764 119.677 120.500 -0.100 0.000 2.083 225 R HA -0.051 4.288 4.340 -0.001 0.000 0.237 225 R C 2.725 178.932 176.300 -0.155 0.000 1.137 225 R CA 1.662 57.724 56.100 -0.063 0.000 0.951 225 R CB -1.109 29.201 30.300 0.016 0.000 0.851 225 R HN 0.154 nan 8.270 nan 0.000 0.434 226 M N -0.467 118.953 119.600 -0.300 0.000 2.065 226 M HA -0.130 4.349 4.480 -0.001 0.000 0.259 226 M C 2.335 178.234 176.300 -0.669 0.000 1.069 226 M CA 2.006 57.017 55.300 -0.482 0.000 1.110 226 M CB -0.887 31.297 32.600 -0.692 0.000 1.328 226 M HN 0.280 nan 8.290 nan 0.000 0.405 227 A N 0.279 122.610 122.820 -0.816 0.000 1.908 227 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 227 A C 2.215 179.723 177.584 -0.127 0.000 1.181 227 A CA 1.450 53.189 52.037 -0.496 0.000 0.627 227 A CB -0.907 17.929 19.000 -0.273 0.000 0.818 227 A HN 0.489 nan 8.150 nan 0.000 0.445 228 L N -0.929 120.234 121.223 -0.100 0.000 2.179 228 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 228 L C 2.614 179.511 176.870 0.045 0.000 1.096 228 L CA 1.499 56.346 54.840 0.011 0.000 0.779 228 L CB -0.562 41.514 42.059 0.028 0.000 0.922 228 L HN 0.348 nan 8.230 nan 0.000 0.443 229 T N -0.277 114.280 114.554 0.006 0.000 2.904 229 T HA -0.052 4.298 4.350 -0.001 0.000 0.267 229 T C 2.035 176.796 174.700 0.101 0.000 1.059 229 T CA 1.025 63.153 62.100 0.046 0.000 1.137 229 T CB -0.104 68.772 68.868 0.014 0.000 0.879 229 T HN 0.392 nan 8.240 nan 0.000 0.467 230 A N 1.792 124.672 122.820 0.101 0.000 1.855 230 A HA 0.206 4.525 4.320 -0.001 0.000 0.215 230 A C 2.697 180.408 177.584 0.212 0.000 1.191 230 A CA 1.726 53.880 52.037 0.196 0.000 0.613 230 A CB -1.258 17.926 19.000 0.307 0.000 0.829 230 A HN 0.486 nan 8.150 nan 0.000 0.442 231 A N -0.214 122.699 122.820 0.154 0.000 1.883 231 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 231 A C 1.929 179.587 177.584 0.124 0.000 1.186 231 A CA 1.899 54.013 52.037 0.128 0.000 0.624 231 A CB -0.647 18.420 19.000 0.111 0.000 0.822 231 A HN 0.645 nan 8.150 nan 0.000 0.444 232 E N -1.965 118.305 120.200 0.117 0.000 2.153 232 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 232 E C 1.827 178.492 176.600 0.107 0.000 0.988 232 E CA 1.362 57.793 56.400 0.051 0.000 0.811 232 E CB -0.274 29.433 29.700 0.012 0.000 0.746 232 E HN 0.818 nan 8.360 nan 0.000 0.466 233 Y N 1.193 121.531 120.300 0.064 0.000 2.133 233 Y HA -0.193 4.356 4.550 -0.001 0.000 0.287 233 Y C 1.854 177.851 175.900 0.161 0.000 1.134 233 Y CA 1.420 59.587 58.100 0.111 0.000 1.133 233 Y CB -0.184 38.339 38.460 0.105 0.000 0.987 233 Y HN -0.069 nan 8.280 nan 0.000 0.502 234 L N -0.158 121.138 121.223 0.121 0.000 1.994 234 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 234 L C 2.843 179.712 176.870 -0.002 0.000 1.071 234 L CA 1.241 56.096 54.840 0.025 0.000 0.745 234 L CB -1.131 40.972 42.059 0.073 0.000 0.892 234 L HN 0.348 nan 8.230 nan 0.000 0.431 235 A N -0.735 122.101 122.820 0.027 0.000 1.883 235 A HA -0.294 4.025 4.320 -0.001 0.000 0.217 235 A C 2.176 179.759 177.584 -0.001 0.000 1.186 235 A CA 1.947 53.996 52.037 0.020 0.000 0.624 235 A CB -0.911 18.124 19.000 0.059 0.000 0.822 235 A HN 0.462 nan 8.150 nan 0.000 0.444 236 Y N 0.338 120.561 120.300 -0.128 0.000 2.114 236 Y HA -0.055 4.494 4.550 -0.002 0.000 0.284 236 Y C 2.133 177.920 175.900 -0.188 0.000 1.119 236 Y CA 2.089 60.098 58.100 -0.152 0.000 1.108 236 Y CB -0.302 38.059 38.460 -0.165 0.000 0.995 236 Y HN 0.393 nan 8.280 nan 0.000 0.491 237 E N -1.369 118.685 120.200 -0.244 0.000 2.511 237 E HA -0.086 4.263 4.350 -0.001 0.000 0.196 237 E C 0.146 176.329 176.600 -0.696 0.000 1.066 237 E CA 0.642 56.747 56.400 -0.490 0.000 0.871 237 E CB 0.003 29.431 29.700 -0.452 0.000 0.863 237 E HN 0.635 nan 8.360 nan 0.000 0.520 238 H N -1.527 117.358 119.070 -0.308 0.000 2.865 238 H HA 0.231 4.786 4.556 -0.001 0.000 0.247 238 H C 0.228 175.452 175.328 -0.172 0.000 1.181 238 H CA 0.120 56.035 56.048 -0.222 0.000 0.975 238 H CB 1.397 31.038 29.762 -0.202 0.000 1.899 238 H HN 0.143 nan 8.280 nan 0.000 0.651 239 G N 2.149 110.870 108.800 -0.132 0.000 2.372 239 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.290 239 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.290 239 G C -0.164 174.661 174.900 -0.125 0.000 0.965 239 G CA 0.321 45.340 45.100 -0.135 0.000 1.263 239 G HN 0.193 nan 8.290 nan 0.000 0.498 240 M N 0.579 120.111 119.600 -0.114 0.000 2.465 240 M HA 0.355 4.834 4.480 -0.001 0.000 0.316 240 M C -0.345 175.900 176.300 -0.092 0.000 1.121 240 M CA -0.837 54.410 55.300 -0.088 0.000 0.934 240 M CB 1.954 34.538 32.600 -0.027 0.000 1.692 240 M HN 0.228 nan 8.290 nan 0.000 0.444 241 H N 2.001 121.116 119.070 0.075 0.000 2.652 241 H HA 0.512 5.066 4.556 -0.002 0.000 0.298 241 H C -0.807 174.481 175.328 -0.066 0.000 1.076 241 H CA -0.271 55.837 56.048 0.100 0.000 1.360 241 H CB 0.880 30.800 29.762 0.264 0.000 1.421 241 H HN 0.296 nan 8.280 nan 0.000 0.464 242 V N 5.241 125.198 119.914 0.071 0.000 2.495 242 V HA 0.176 4.295 4.120 -0.001 0.000 0.298 242 V C -0.162 175.911 176.094 -0.036 0.000 1.031 242 V CA -0.920 61.332 62.300 -0.080 0.000 0.871 242 V CB 2.271 34.094 31.823 0.001 0.000 0.988 242 V HN 0.404 nan 8.190 nan 0.000 0.432 243 L N 6.394 127.543 121.223 -0.123 0.000 2.298 243 L HA 0.660 5.000 4.340 -0.001 0.000 0.284 243 L C -0.403 176.490 176.870 0.039 0.000 1.013 243 L CA 0.023 54.871 54.840 0.013 0.000 0.824 243 L CB 1.554 43.669 42.059 0.094 0.000 1.221 243 L HN 0.489 nan 8.230 nan 0.000 0.418 244 V N 6.257 126.205 119.914 0.056 0.000 2.481 244 V HA 0.478 4.597 4.120 -0.001 0.000 0.286 244 V C 0.163 176.263 176.094 0.011 0.000 1.042 244 V CA -0.399 61.927 62.300 0.044 0.000 0.928 244 V CB 1.360 33.211 31.823 0.047 0.000 0.986 244 V HN 0.599 nan 8.190 nan 0.000 0.462 245 I N 5.473 126.010 120.570 -0.054 0.000 2.439 245 I HA 0.391 4.560 4.170 -0.001 0.000 0.283 245 I C -0.742 175.183 176.117 -0.321 0.000 1.023 245 I CA -0.252 60.944 61.300 -0.172 0.000 1.100 245 I CB 1.598 39.491 38.000 -0.178 0.000 1.238 245 I HN 0.401 nan 8.210 nan 0.000 0.445 246 L N 5.523 126.609 121.223 -0.228 0.000 2.264 246 L HA 0.384 4.723 4.340 -0.001 0.000 0.287 246 L C 0.450 177.197 176.870 -0.204 0.000 1.039 246 L CA -0.310 54.400 54.840 -0.217 0.000 0.829 246 L CB 1.254 43.209 42.059 -0.173 0.000 1.211 246 L HN 0.502 nan 8.230 nan 0.000 0.427 247 T N 2.656 117.092 114.554 -0.197 0.000 2.749 247 T HA 0.087 4.436 4.350 -0.001 0.000 0.295 247 T C -0.037 174.669 174.700 0.010 0.000 0.936 247 T CA -0.042 62.023 62.100 -0.058 0.000 1.060 247 T CB -0.014 68.891 68.868 0.061 0.000 0.904 247 T HN 0.689 nan 8.240 nan 0.000 0.500 248 D N 3.800 124.191 120.400 -0.015 0.000 4.201 248 D HA -0.169 4.470 4.640 -0.001 0.000 0.238 248 D C 0.489 176.772 176.300 -0.029 0.000 1.070 248 D CA 0.354 54.333 54.000 -0.035 0.000 1.208 248 D CB -0.590 40.227 40.800 0.027 0.000 0.825 248 D HN 0.729 nan 8.370 nan 0.000 0.404 249 I N 1.826 122.347 120.570 -0.083 0.000 3.419 249 I HA -0.122 4.047 4.170 -0.001 0.000 0.286 249 I C 2.031 178.173 176.117 0.042 0.000 1.268 249 I CA 0.902 62.176 61.300 -0.043 0.000 1.414 249 I CB 0.259 38.145 38.000 -0.192 0.000 1.074 249 I HN 0.391 nan 8.210 nan 0.000 0.457 250 T N -0.488 114.057 114.554 -0.015 0.000 2.915 250 T HA -0.065 4.284 4.350 -0.001 0.000 0.269 250 T C 1.607 176.336 174.700 0.048 0.000 1.071 250 T CA 0.893 62.997 62.100 0.006 0.000 1.132 250 T CB -0.340 68.496 68.868 -0.053 0.000 0.878 250 T HN 0.291 nan 8.240 nan 0.000 0.479 251 N N 0.731 119.458 118.700 0.045 0.000 2.216 251 N HA -0.017 4.722 4.740 -0.001 0.000 0.183 251 N C 1.457 177.023 175.510 0.093 0.000 1.017 251 N CA 0.782 53.861 53.050 0.049 0.000 0.861 251 N CB -0.566 37.945 38.487 0.041 0.000 0.986 251 N HN 0.548 nan 8.380 nan 0.000 0.428 252 Y N 1.661 121.969 120.300 0.014 0.000 2.181 252 Y HA -0.145 4.404 4.550 -0.001 0.000 0.288 252 Y C 2.256 178.197 175.900 0.068 0.000 1.146 252 Y CA 1.702 59.822 58.100 0.035 0.000 1.164 252 Y CB -0.274 38.202 38.460 0.026 0.000 0.982 252 Y HN 0.072 nan 8.280 nan 0.000 0.515 253 A N 0.021 122.975 122.820 0.224 0.000 1.933 253 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 253 A C 2.061 179.769 177.584 0.207 0.000 1.175 253 A CA 1.866 54.028 52.037 0.208 0.000 0.628 253 A CB -0.825 18.278 19.000 0.173 0.000 0.814 253 A HN 0.576 nan 8.150 nan 0.000 0.444 254 E N -0.063 120.213 120.200 0.126 0.000 2.110 254 E HA -0.089 4.260 4.350 -0.001 0.000 0.193 254 E C 1.976 178.569 176.600 -0.011 0.000 0.988 254 E CA 1.403 57.835 56.400 0.053 0.000 0.804 254 E CB -0.305 29.399 29.700 0.006 0.000 0.745 254 E HN 0.540 nan 8.360 nan 0.000 0.458 255 A N 0.031 122.816 122.820 -0.058 0.000 1.930 255 A HA -0.036 4.283 4.320 -0.001 0.000 0.215 255 A C 2.175 179.701 177.584 -0.097 0.000 1.176 255 A CA 0.687 52.668 52.037 -0.093 0.000 0.632 255 A CB -0.479 18.435 19.000 -0.144 0.000 0.819 255 A HN 0.322 nan 8.150 nan 0.000 0.445 256 L N -0.816 120.325 121.223 -0.137 0.000 2.046 256 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 256 L C 2.831 179.697 176.870 -0.007 0.000 1.077 256 L CA 1.694 56.504 54.840 -0.050 0.000 0.747 256 L CB -0.348 41.691 42.059 -0.034 0.000 0.896 256 L HN 0.505 nan 8.230 nan 0.000 0.432 257 R N 0.421 120.906 120.500 -0.025 0.000 2.070 257 R HA -0.161 4.178 4.340 -0.001 0.000 0.232 257 R C 0.745 176.985 176.300 -0.099 0.000 1.138 257 R CA 1.299 57.313 56.100 -0.144 0.000 0.936 257 R CB -0.068 30.047 30.300 -0.307 0.000 0.839 257 R HN 0.405 nan 8.270 nan 0.000 0.429 258 Q N 0.789 120.552 119.800 -0.061 0.000 3.006 258 Q HA 0.162 4.502 4.340 -0.001 0.000 0.260 258 Q C -0.991 175.008 176.000 -0.002 0.000 1.356 258 Q CA -0.159 55.623 55.803 -0.035 0.000 1.070 258 Q CB 0.741 29.463 28.738 -0.028 0.000 1.507 258 Q HN 0.146 nan 8.270 nan 0.000 0.568 259 M N 0.978 120.591 119.600 0.021 0.000 2.053 259 M HA 0.469 4.948 4.480 -0.001 0.000 0.297 259 M C -0.197 176.144 176.300 0.068 0.000 0.921 259 M CA 0.250 55.588 55.300 0.064 0.000 0.918 259 M CB 1.242 33.912 32.600 0.116 0.000 1.499 259 M HN 0.514 nan 8.290 nan 0.000 0.422 260 G N 2.857 111.692 108.800 0.058 0.000 2.877 260 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.279 260 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.279 260 G C 0.139 175.016 174.900 -0.037 0.000 1.431 260 G CA -0.219 44.898 45.100 0.030 0.000 0.883 260 G HN 1.440 nan 8.290 nan 0.000 0.547 261 A N -0.204 122.544 122.820 -0.119 0.000 2.195 261 A HA 0.758 5.077 4.320 -0.001 0.000 0.210 261 A C 1.727 179.267 177.584 -0.073 0.000 1.165 261 A CA 1.778 53.744 52.037 -0.119 0.000 0.806 261 A CB -0.360 18.522 19.000 -0.197 0.000 0.847 261 A HN 2.477 nan 8.150 nan 0.000 0.482 272 Y N 1.643 121.900 120.300 -0.072 0.000 2.446 272 Y HA 0.642 5.191 4.550 -0.001 0.000 0.338 272 Y C -1.138 174.634 175.900 -0.213 0.000 1.055 272 Y CA -1.444 56.563 58.100 -0.155 0.000 1.101 272 Y CB 1.565 39.904 38.460 -0.202 0.000 1.221 272 Y HN 0.490 nan 8.280 nan 0.000 0.460 273 P HA 0.044 nan 4.420 nan 0.000 0.273 273 P C 0.551 177.664 177.300 -0.313 0.000 1.258 273 P CA 0.186 63.078 63.100 -0.348 0.000 0.802 273 P CB 0.595 31.779 31.700 -0.860 0.000 1.040 274 G N -0.619 108.039 108.800 -0.236 0.000 2.408 274 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.213 274 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.213 274 G C 1.225 176.101 174.900 -0.040 0.000 1.177 274 G CA 0.339 45.410 45.100 -0.049 0.000 0.802 274 G HN 0.661 nan 8.290 nan 0.000 0.533 275 Y N -0.560 119.750 120.300 0.017 0.000 2.680 275 Y HA 0.234 4.783 4.550 -0.002 0.000 0.303 275 Y C 2.374 178.273 175.900 -0.003 0.000 1.166 275 Y CA 0.214 58.325 58.100 0.017 0.000 1.344 275 Y CB -0.375 38.090 38.460 0.009 0.000 1.002 275 Y HN 0.047 nan 8.280 nan 0.000 0.537 276 M N 0.633 120.021 119.600 -0.353 0.000 2.065 276 M HA -0.251 4.229 4.480 -0.001 0.000 0.259 276 M C 1.521 177.716 176.300 -0.176 0.000 1.071 276 M CA 2.142 57.238 55.300 -0.340 0.000 1.109 276 M CB -0.811 31.447 32.600 -0.570 0.000 1.313 276 M HN 0.515 nan 8.290 nan 0.000 0.408 277 Y N -0.117 120.206 120.300 0.038 0.000 2.242 277 Y HA -0.163 4.387 4.550 -0.001 0.000 0.291 277 Y C 2.447 178.392 175.900 0.075 0.000 1.137 277 Y CA 1.699 59.841 58.100 0.070 0.000 1.181 277 Y CB -1.217 37.276 38.460 0.053 0.000 0.989 277 Y HN 0.327 nan 8.280 nan 0.000 0.527 278 T N -0.954 113.718 114.554 0.195 0.000 2.867 278 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 278 T C 1.300 176.034 174.700 0.056 0.000 1.057 278 T CA 1.500 63.668 62.100 0.112 0.000 1.136 278 T CB -0.374 68.565 68.868 0.119 0.000 0.874 278 T HN 0.362 nan 8.240 nan 0.000 0.466 279 D N 1.045 121.518 120.400 0.121 0.000 2.144 279 D HA -0.006 4.633 4.640 -0.001 0.000 0.200 279 D C 1.928 178.269 176.300 0.068 0.000 0.978 279 D CA 0.608 54.693 54.000 0.141 0.000 0.833 279 D CB -0.346 40.625 40.800 0.286 0.000 0.961 279 D HN 0.260 nan 8.370 nan 0.000 0.470 280 L N 0.067 121.335 121.223 0.074 0.000 2.131 280 L HA -0.100 4.239 4.340 -0.001 0.000 0.210 280 L C 2.475 179.047 176.870 -0.496 0.000 1.092 280 L CA 1.041 55.893 54.840 0.019 0.000 0.759 280 L CB -0.390 41.835 42.059 0.277 0.000 0.903 280 L HN 0.104 nan 8.230 nan 0.000 0.435 281 A N -0.157 122.256 122.820 -0.679 0.000 2.015 281 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 281 A C 2.405 179.555 177.584 -0.725 0.000 1.163 281 A CA 1.952 53.245 52.037 -1.239 0.000 0.646 281 A CB -0.874 17.790 19.000 -0.560 0.000 0.806 281 A HN 0.523 nan 8.150 nan 0.000 0.448 282 T N -2.028 112.310 114.554 -0.360 0.000 2.962 282 T HA 0.037 4.386 4.350 -0.001 0.000 0.270 282 T C 1.665 176.259 174.700 -0.175 0.000 1.088 282 T CA 1.300 63.283 62.100 -0.196 0.000 1.127 282 T CB -0.359 68.465 68.868 -0.073 0.000 0.883 282 T HN 0.339 nan 8.240 nan 0.000 0.493 283 L N -0.170 120.916 121.223 -0.229 0.000 2.189 283 L HA 0.186 4.525 4.340 -0.001 0.000 0.199 283 L C 2.373 179.151 176.870 -0.153 0.000 1.074 283 L CA 0.716 55.484 54.840 -0.120 0.000 0.783 283 L CB -0.560 41.485 42.059 -0.025 0.000 0.955 283 L HN 0.377 nan 8.230 nan 0.000 0.460 284 Y N -0.926 119.167 120.300 -0.346 0.000 2.477 284 Y HA 0.116 4.664 4.550 -0.003 0.000 0.303 284 Y C 2.006 177.715 175.900 -0.318 0.000 1.202 284 Y CA -0.196 57.584 58.100 -0.533 0.000 1.282 284 Y CB -0.843 36.901 38.460 -1.193 0.000 1.071 284 Y HN 0.136 nan 8.280 nan 0.000 0.510 285 E N 2.174 122.233 120.200 -0.236 0.000 2.122 285 E HA -0.024 4.325 4.350 -0.001 0.000 0.190 285 E C 0.278 176.714 176.600 -0.273 0.000 0.977 285 E CA 0.342 56.623 56.400 -0.198 0.000 0.820 285 E CB 0.091 29.675 29.700 -0.192 0.000 0.770 285 E HN 0.555 nan 8.360 nan 0.000 0.462 286 R N 0.774 121.154 120.500 -0.199 0.000 2.893 286 R HA 0.405 4.745 4.340 -0.001 0.000 0.243 286 R C -0.407 175.795 176.300 -0.162 0.000 1.481 286 R CA 0.108 56.099 56.100 -0.182 0.000 1.250 286 R CB 0.360 30.703 30.300 0.071 0.000 1.213 286 R HN 0.019 nan 8.270 nan 0.000 0.609 287 A N 0.756 123.289 122.820 -0.479 0.000 2.599 287 A HA 0.785 5.105 4.320 -0.001 0.000 0.294 287 A C -0.359 177.090 177.584 -0.224 0.000 1.055 287 A CA -0.153 51.788 52.037 -0.159 0.000 0.683 287 A CB 1.682 20.654 19.000 -0.047 0.000 1.278 287 A HN 0.656 nan 8.150 nan 0.000 0.412 288 G N -0.558 108.298 108.800 0.094 0.000 2.293 288 G HA2 0.398 4.357 3.960 -0.001 0.000 0.282 288 G HA3 0.398 4.357 3.960 -0.001 0.000 0.282 288 G C -1.131 173.943 174.900 0.289 0.000 1.299 288 G CA -0.361 44.828 45.100 0.148 0.000 1.018 288 G HN 1.229 nan 8.290 nan 0.000 0.478 289 I N 1.337 122.055 120.570 0.247 0.000 2.365 289 I HA 0.459 4.629 4.170 -0.001 0.000 0.291 289 I C 1.355 177.611 176.117 0.231 0.000 1.004 289 I CA -0.938 60.497 61.300 0.226 0.000 1.311 289 I CB 1.482 39.583 38.000 0.168 0.000 1.401 289 I HN 0.690 nan 8.210 nan 0.000 0.491 290 V N 3.357 123.375 119.914 0.172 0.000 3.185 290 V HA 0.230 4.349 4.120 -0.001 0.000 0.305 290 V C 0.429 176.610 176.094 0.146 0.000 1.090 290 V CA -0.870 61.504 62.300 0.123 0.000 1.107 290 V CB 0.279 32.179 31.823 0.127 0.000 1.061 290 V HN 0.666 nan 8.190 nan 0.000 0.480 291 K N 1.999 122.511 120.400 0.188 0.000 2.484 291 K HA 0.371 4.691 4.320 -0.001 0.000 0.280 291 K C 1.190 177.864 176.600 0.122 0.000 1.013 291 K CA 1.058 57.453 56.287 0.180 0.000 1.029 291 K CB 0.151 32.810 32.500 0.265 0.000 0.902 291 K HN 1.502 nan 8.250 nan 0.000 0.481 292 G N 2.092 110.935 108.800 0.072 0.000 2.159 292 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.256 292 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.256 292 G C 0.703 175.614 174.900 0.020 0.000 0.977 292 G CA 0.234 45.349 45.100 0.024 0.000 0.652 292 G HN 1.126 nan 8.290 nan 0.000 0.531 293 A N -1.272 121.578 122.820 0.051 0.000 4.115 293 A HA -0.336 3.983 4.320 -0.001 0.000 0.268 293 A C 1.628 179.243 177.584 0.050 0.000 0.917 293 A CA 2.790 54.868 52.037 0.068 0.000 1.090 293 A CB -1.723 17.316 19.000 0.065 0.000 1.067 293 A HN 1.085 nan 8.150 nan 0.000 0.828 294 K N -0.411 119.983 120.400 -0.010 0.000 2.555 294 K HA 0.283 4.602 4.320 -0.001 0.000 0.193 294 K C 0.945 177.453 176.600 -0.154 0.000 1.032 294 K CA 0.659 56.904 56.287 -0.071 0.000 1.004 294 K CB -0.134 32.307 32.500 -0.097 0.000 0.804 294 K HN 1.000 nan 8.250 nan 0.000 0.496 295 G N -0.324 108.426 108.800 -0.083 0.000 2.523 295 G HA2 0.368 4.327 3.960 -0.001 0.000 0.291 295 G HA3 0.368 4.327 3.960 -0.001 0.000 0.291 295 G C -1.441 173.563 174.900 0.172 0.000 1.450 295 G CA -0.620 44.413 45.100 -0.113 0.000 0.790 295 G HN 0.059 nan 8.290 nan 0.000 0.496 296 S N -2.025 113.874 115.700 0.333 0.000 2.625 296 S HA 0.762 5.231 4.470 -0.001 0.000 0.271 296 S C -1.608 173.143 174.600 0.251 0.000 1.161 296 S CA -0.803 57.590 58.200 0.322 0.000 0.820 296 S CB 1.937 65.336 63.200 0.333 0.000 1.137 296 S HN 1.253 nan 8.310 nan 0.000 0.470 297 V N 2.094 122.154 119.914 0.244 0.000 2.357 297 V HA 0.498 4.617 4.120 -0.001 0.000 0.281 297 V C -0.389 175.807 176.094 0.170 0.000 1.015 297 V CA -0.316 62.113 62.300 0.215 0.000 0.827 297 V CB 0.992 33.000 31.823 0.309 0.000 1.018 297 V HN 1.039 nan 8.190 nan 0.000 0.432 298 T N 4.275 118.906 114.554 0.128 0.000 2.907 298 T HA 0.535 4.884 4.350 -0.001 0.000 0.284 298 T C -0.401 174.354 174.700 0.091 0.000 1.004 298 T CA -0.407 61.753 62.100 0.100 0.000 1.063 298 T CB 1.768 70.691 68.868 0.091 0.000 0.992 298 T HN 0.644 nan 8.240 nan 0.000 0.483 299 Q N 1.990 121.841 119.800 0.085 0.000 2.309 299 Q HA 0.519 4.858 4.340 -0.001 0.000 0.270 299 Q C -1.371 174.671 176.000 0.070 0.000 1.023 299 Q CA -0.474 55.381 55.803 0.087 0.000 0.758 299 Q CB 0.751 29.566 28.738 0.127 0.000 1.247 299 Q HN 0.649 nan 8.270 nan 0.000 0.455 300 I N 6.895 127.488 120.570 0.037 0.000 2.503 300 I HA 0.364 4.533 4.170 -0.001 0.000 0.277 300 I C -2.248 173.837 176.117 -0.053 0.000 1.078 300 I CA -2.002 59.302 61.300 0.007 0.000 1.184 300 I CB 0.931 38.941 38.000 0.017 0.000 1.353 300 I HN 0.372 nan 8.210 nan 0.000 0.490 301 P HA 0.303 nan 4.420 nan 0.000 0.282 301 P C -0.695 176.483 177.300 -0.203 0.000 1.249 301 P CA -0.327 62.637 63.100 -0.227 0.000 0.806 301 P CB 1.697 33.093 31.700 -0.506 0.000 0.984 302 I N 3.917 124.371 120.570 -0.193 0.000 2.315 302 I HA 0.298 4.467 4.170 -0.001 0.000 0.291 302 I C 0.408 176.390 176.117 -0.225 0.000 1.006 302 I CA -0.605 60.595 61.300 -0.166 0.000 1.265 302 I CB 0.428 38.370 38.000 -0.096 0.000 1.387 302 I HN 0.217 nan 8.210 nan 0.000 0.475 303 L N 5.326 126.401 121.223 -0.247 0.000 2.324 303 L HA 0.417 4.756 4.340 -0.001 0.000 0.274 303 L C 0.187 176.778 176.870 -0.465 0.000 1.012 303 L CA -0.259 54.410 54.840 -0.285 0.000 0.859 303 L CB 1.373 43.323 42.059 -0.182 0.000 1.224 303 L HN 0.549 nan 8.230 nan 0.000 0.429 304 S N 3.590 119.028 115.700 -0.437 0.000 2.449 304 S HA 0.646 5.115 4.470 -0.001 0.000 0.310 304 S C -0.265 174.111 174.600 -0.373 0.000 1.096 304 S CA -0.643 57.248 58.200 -0.514 0.000 1.095 304 S CB 1.077 63.926 63.200 -0.586 0.000 1.007 304 S HN 0.459 nan 8.310 nan 0.000 0.474 305 M N 7.271 126.634 119.600 -0.395 0.000 2.188 305 M HA 0.379 4.858 4.480 -0.001 0.000 0.354 305 M C -1.874 174.354 176.300 -0.120 0.000 1.342 305 M CA -2.126 53.044 55.300 -0.216 0.000 1.117 305 M CB 0.634 33.129 32.600 -0.175 0.000 1.670 305 M HN 0.500 nan 8.290 nan 0.000 0.466 306 P HA 0.224 nan 4.420 nan 0.000 0.293 306 P C 0.402 177.708 177.300 0.009 0.000 1.298 306 P CA -0.238 62.845 63.100 -0.028 0.000 0.757 306 P CB 0.423 32.117 31.700 -0.009 0.000 1.262 307 G N -0.593 108.224 108.800 0.030 0.000 2.551 307 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.214 307 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.214 307 G C 0.104 175.050 174.900 0.076 0.000 1.250 307 G CA 0.593 45.724 45.100 0.050 0.000 0.825 307 G HN 0.454 nan 8.290 nan 0.000 0.549 308 D N -1.283 119.194 120.400 0.128 0.000 2.414 308 D HA 0.456 5.095 4.640 -0.001 0.000 0.251 308 D C 0.518 176.883 176.300 0.108 0.000 1.252 308 D CA 0.049 54.116 54.000 0.112 0.000 0.999 308 D CB 1.527 42.393 40.800 0.111 0.000 1.093 308 D HN 0.175 nan 8.370 nan 0.000 0.515 309 D N -1.488 118.950 120.400 0.063 0.000 2.097 309 D HA 0.099 4.738 4.640 -0.001 0.000 0.325 309 D C 1.464 177.783 176.300 0.031 0.000 1.087 309 D CA -0.106 53.932 54.000 0.064 0.000 0.917 309 D CB 0.077 40.912 40.800 0.058 0.000 1.784 309 D HN 0.187 nan 8.370 nan 0.000 0.532 310 I N 1.097 121.668 120.570 0.002 0.000 2.252 310 I HA -0.017 4.152 4.170 -0.001 0.000 0.245 310 I C 0.760 176.833 176.117 -0.073 0.000 1.102 310 I CA 1.202 62.488 61.300 -0.023 0.000 1.385 310 I CB -0.291 37.696 38.000 -0.021 0.000 1.064 310 I HN 0.134 nan 8.210 nan 0.000 0.414 311 T N -0.633 113.842 114.554 -0.132 0.000 2.806 311 T HA 0.274 4.623 4.350 -0.001 0.000 0.290 311 T C -0.399 174.073 174.700 -0.380 0.000 0.966 311 T CA -0.505 61.400 62.100 -0.325 0.000 1.060 311 T CB 0.596 69.212 68.868 -0.421 0.000 0.927 311 T HN 0.350 nan 8.240 nan 0.000 0.485 312 H N 0.468 119.532 119.070 -0.010 0.000 2.983 312 H HA -0.086 4.469 4.556 -0.002 0.000 0.327 312 H C -2.764 172.604 175.328 0.067 0.000 1.031 312 H CA -0.252 55.805 56.048 0.014 0.000 1.053 312 H CB -1.743 28.038 29.762 0.031 0.000 1.609 312 H HN 0.591 nan 8.280 nan 0.000 0.369 313 P HA 0.142 nan 4.420 nan 0.000 0.271 313 P C 0.865 178.346 177.300 0.302 0.000 1.218 313 P CA -0.476 62.745 63.100 0.202 0.000 0.780 313 P CB 0.819 32.632 31.700 0.189 0.000 0.901 314 I N 1.193 121.876 120.570 0.188 0.000 2.496 314 I HA 0.370 4.539 4.170 -0.001 0.000 0.285 314 I C -2.087 174.067 176.117 0.061 0.000 1.080 314 I CA -2.131 59.244 61.300 0.126 0.000 1.404 314 I CB -0.710 37.339 38.000 0.081 0.000 1.403 314 I HN 0.174 nan 8.210 nan 0.000 0.539 315 P HA 0.185 nan 4.420 nan 0.000 0.281 315 P C -1.013 176.263 177.300 -0.040 0.000 1.249 315 P CA -0.275 62.659 63.100 -0.276 0.000 0.810 315 P CB 0.872 32.266 31.700 -0.510 0.000 1.008 316 D N 1.504 121.948 120.400 0.074 0.000 2.470 316 D HA 0.109 4.748 4.640 -0.001 0.000 0.226 316 D C 0.641 177.034 176.300 0.156 0.000 1.196 316 D CA -0.009 54.068 54.000 0.129 0.000 0.979 316 D CB -0.610 40.260 40.800 0.115 0.000 1.059 316 D HN 0.211 nan 8.370 nan 0.000 0.515 317 L N 2.068 123.359 121.223 0.113 0.000 2.612 317 L HA 0.045 4.384 4.340 -0.001 0.000 0.230 317 L C 2.011 178.964 176.870 0.139 0.000 1.140 317 L CA -0.065 54.861 54.840 0.145 0.000 0.896 317 L CB -0.242 41.871 42.059 0.091 0.000 1.065 317 L HN 0.333 nan 8.230 nan 0.000 0.447 318 S N -0.712 115.038 115.700 0.083 0.000 2.584 318 S HA -0.090 4.379 4.470 -0.001 0.000 0.240 318 S C 1.947 176.514 174.600 -0.055 0.000 0.975 318 S CA 0.686 58.896 58.200 0.017 0.000 0.949 318 S CB -0.518 62.675 63.200 -0.012 0.000 0.761 318 S HN 0.487 nan 8.310 nan 0.000 0.536 319 G N -0.187 108.588 108.800 -0.040 0.000 2.448 319 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.218 319 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.218 319 G C 1.045 175.412 174.900 -0.888 0.000 1.135 319 G CA 0.299 45.230 45.100 -0.281 0.000 0.784 319 G HN 0.576 nan 8.290 nan 0.000 0.543 320 Y N 0.399 120.397 120.300 -0.504 0.000 2.231 320 Y HA 0.234 4.784 4.550 0.000 0.000 0.294 320 Y C 1.191 176.922 175.900 -0.281 0.000 1.120 320 Y CA -0.118 57.725 58.100 -0.429 0.000 1.141 320 Y CB 0.126 38.506 38.460 -0.132 0.000 1.022 320 Y HN -0.034 nan 8.280 nan 0.000 0.523 321 I N 1.519 122.084 120.570 -0.008 0.000 2.577 321 I HA -0.071 4.098 4.170 -0.001 0.000 0.299 321 I C 1.051 177.113 176.117 -0.091 0.000 1.157 321 I CA 1.027 62.311 61.300 -0.027 0.000 1.418 321 I CB -0.062 37.928 38.000 -0.017 0.000 1.467 321 I HN 0.235 nan 8.210 nan 0.000 0.624 322 T N -0.290 114.207 114.554 -0.097 0.000 3.048 322 T HA 0.193 4.542 4.350 -0.001 0.000 0.254 322 T C 1.017 175.679 174.700 -0.064 0.000 0.942 322 T CA -0.194 61.845 62.100 -0.102 0.000 0.931 322 T CB -0.001 68.780 68.868 -0.145 0.000 1.220 322 T HN 0.425 nan 8.240 nan 0.000 0.503 323 E N 1.285 121.458 120.200 -0.045 0.000 2.499 323 E HA 0.533 4.883 4.350 -0.001 0.000 0.199 323 E C 0.664 177.256 176.600 -0.013 0.000 1.016 323 E CA -0.153 56.231 56.400 -0.025 0.000 0.933 323 E CB 0.786 30.477 29.700 -0.015 0.000 1.050 323 E HN 0.762 nan 8.360 nan 0.000 0.462 324 G N 1.895 110.685 108.800 -0.018 0.000 2.462 324 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.685 324 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.685 324 G C -1.455 173.447 174.900 0.003 0.000 1.295 324 G CA -0.729 44.365 45.100 -0.011 0.000 0.941 324 G HN 0.074 nan 8.290 nan 0.000 0.554 325 Q N -0.798 119.007 119.800 0.008 0.000 2.435 325 Q HA 0.663 5.002 4.340 -0.001 0.000 0.282 325 Q C -1.524 174.502 176.000 0.043 0.000 1.020 325 Q CA -0.944 54.876 55.803 0.028 0.000 0.820 325 Q CB 1.542 30.291 28.738 0.019 0.000 1.436 325 Q HN 1.019 nan 8.270 nan 0.000 0.395 326 I N 1.700 122.308 120.570 0.063 0.000 2.321 326 I HA 0.389 4.558 4.170 -0.001 0.000 0.291 326 I C -0.430 175.747 176.117 0.100 0.000 0.998 326 I CA -1.101 60.240 61.300 0.068 0.000 1.227 326 I CB 1.832 39.861 38.000 0.048 0.000 1.368 326 I HN 0.344 nan 8.210 nan 0.000 0.466 327 V N 7.331 127.305 119.914 0.099 0.000 2.370 327 V HA 0.282 4.402 4.120 -0.001 0.000 0.283 327 V C -0.054 176.103 176.094 0.105 0.000 1.023 327 V CA -0.756 61.624 62.300 0.134 0.000 0.857 327 V CB 1.905 33.786 31.823 0.097 0.000 0.985 327 V HN 0.480 nan 8.190 nan 0.000 0.443 328 V N 5.527 125.503 119.914 0.103 0.000 2.370 328 V HA 0.858 4.977 4.120 -0.001 0.000 0.279 328 V C 0.371 176.512 176.094 0.078 0.000 1.029 328 V CA -0.127 62.207 62.300 0.057 0.000 0.870 328 V CB 1.205 33.036 31.823 0.014 0.000 0.984 328 V HN 1.064 nan 8.190 nan 0.000 0.451 329 A N 6.391 129.257 122.820 0.077 0.000 2.317 329 A HA 0.624 4.944 4.320 -0.001 0.000 0.327 329 A C 0.907 178.548 177.584 0.095 0.000 1.178 329 A CA -0.685 51.406 52.037 0.090 0.000 0.817 329 A CB 1.100 20.158 19.000 0.097 0.000 1.189 329 A HN 0.930 nan 8.150 nan 0.000 0.489 330 R N 0.684 121.239 120.500 0.092 0.000 2.096 330 R HA -0.149 4.190 4.340 -0.001 0.000 0.235 330 R C 1.768 178.152 176.300 0.140 0.000 1.127 330 R CA 1.640 57.812 56.100 0.119 0.000 0.968 330 R CB -0.047 30.310 30.300 0.094 0.000 0.861 330 R HN 0.980 nan 8.270 nan 0.000 0.440 331 E N 1.155 121.418 120.200 0.105 0.000 2.086 331 E HA -0.240 4.110 4.350 -0.001 0.000 0.200 331 E C 1.802 178.462 176.600 0.100 0.000 1.012 331 E CA 1.448 57.903 56.400 0.092 0.000 0.812 331 E CB -0.037 29.711 29.700 0.080 0.000 0.743 331 E HN 0.329 nan 8.360 nan 0.000 0.453 332 L N -0.882 120.409 121.223 0.114 0.000 2.179 332 L HA -0.055 4.284 4.340 -0.001 0.000 0.208 332 L C 2.584 179.519 176.870 0.109 0.000 1.096 332 L CA 0.921 55.823 54.840 0.102 0.000 0.779 332 L CB -0.528 41.588 42.059 0.095 0.000 0.922 332 L HN 0.210 nan 8.230 nan 0.000 0.443 333 H N 0.942 120.037 119.070 0.043 0.000 2.326 333 H HA -0.092 4.463 4.556 -0.001 0.000 0.301 333 H C 2.428 177.787 175.328 0.052 0.000 1.081 333 H CA 1.725 57.803 56.048 0.049 0.000 1.334 333 H CB 0.143 29.935 29.762 0.050 0.000 1.385 333 H HN 0.025 nan 8.280 nan 0.000 0.504 334 R N -0.247 120.298 120.500 0.075 0.000 2.159 334 R HA -0.115 4.225 4.340 -0.001 0.000 0.237 334 R C 1.878 178.171 176.300 -0.012 0.000 1.131 334 R CA 1.500 57.611 56.100 0.019 0.000 0.982 334 R CB -0.018 30.322 30.300 0.068 0.000 0.868 334 R HN 0.154 nan 8.270 nan 0.000 0.453 335 K N -0.240 120.164 120.400 0.007 0.000 2.426 335 K HA 0.038 4.358 4.320 -0.001 0.000 0.193 335 K C 0.232 176.824 176.600 -0.014 0.000 1.028 335 K CA 0.814 57.105 56.287 0.007 0.000 1.047 335 K CB 0.526 33.045 32.500 0.032 0.000 0.821 335 K HN 0.212 nan 8.250 nan 0.000 0.513 336 G N 1.243 110.013 108.800 -0.050 0.000 2.341 336 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.278 336 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.278 336 G C -0.401 174.497 174.900 -0.003 0.000 1.111 336 G CA 0.199 45.266 45.100 -0.056 0.000 0.982 336 G HN 0.245 nan 8.290 nan 0.000 0.502 337 I N 0.245 120.826 120.570 0.019 0.000 2.410 337 I HA 0.469 4.638 4.170 -0.001 0.000 0.286 337 I C -0.279 175.883 176.117 0.075 0.000 1.009 337 I CA -1.203 60.119 61.300 0.037 0.000 1.111 337 I CB 1.683 39.690 38.000 0.013 0.000 1.262 337 I HN 0.241 nan 8.210 nan 0.000 0.443 338 Y N 8.819 129.088 120.300 -0.052 0.000 2.364 338 Y HA 0.550 5.100 4.550 -0.001 0.000 0.340 338 Y C -2.578 173.244 175.900 -0.131 0.000 0.975 338 Y CA -2.454 55.590 58.100 -0.094 0.000 1.089 338 Y CB 2.092 40.474 38.460 -0.130 0.000 1.192 338 Y HN 0.330 nan 8.280 nan 0.000 0.454 339 P HA 0.209 nan 4.420 nan 0.000 0.281 339 P C -2.566 174.517 177.300 -0.362 0.000 1.252 339 P CA -1.750 60.822 63.100 -0.881 0.000 0.778 339 P CB 0.734 31.982 31.700 -0.753 0.000 0.895 340 P HA 0.162 nan 4.420 nan 0.000 0.246 340 P C -0.267 177.016 177.300 -0.030 0.000 1.686 340 P CA 0.176 63.242 63.100 -0.057 0.000 0.867 340 P CB -0.424 31.302 31.700 0.043 0.000 1.733 341 I N 0.662 121.194 120.570 -0.064 0.000 2.396 341 I HA 0.108 4.277 4.170 -0.001 0.000 0.289 341 I C 0.889 177.059 176.117 0.088 0.000 1.056 341 I CA -0.326 60.974 61.300 0.000 0.000 1.365 341 I CB 0.240 38.220 38.000 -0.034 0.000 1.407 341 I HN -0.060 nan 8.210 nan 0.000 0.509 342 N N 5.991 124.768 118.700 0.128 0.000 2.414 342 N HA 0.106 4.845 4.740 -0.001 0.000 0.256 342 N C 0.781 176.424 175.510 0.222 0.000 1.029 342 N CA -0.312 52.858 53.050 0.200 0.000 0.948 342 N CB 1.728 40.310 38.487 0.159 0.000 1.102 342 N HN 0.492 nan 8.380 nan 0.000 0.496 343 V N 2.817 122.925 119.914 0.323 0.000 2.719 343 V HA -0.085 4.035 4.120 -0.001 0.000 0.252 343 V C 1.974 178.289 176.094 0.368 0.000 1.065 343 V CA 1.027 63.535 62.300 0.347 0.000 1.086 343 V CB -0.683 31.417 31.823 0.461 0.000 0.700 343 V HN 0.500 nan 8.190 nan 0.000 0.467 344 L N 0.293 121.665 121.223 0.247 0.000 2.017 344 L HA -0.007 4.332 4.340 -0.001 0.000 0.208 344 L C 0.471 177.471 176.870 0.216 0.000 1.073 344 L CA 1.736 56.666 54.840 0.150 0.000 0.745 344 L CB -2.149 39.830 42.059 -0.133 0.000 0.894 344 L HN 0.363 nan 8.230 nan 0.000 0.432 345 P HA -0.019 nan 4.420 nan 0.000 0.220 345 P C 0.597 177.940 177.300 0.072 0.000 1.152 345 P CA 0.731 63.872 63.100 0.068 0.000 0.812 345 P CB 0.099 31.814 31.700 0.024 0.000 0.792 346 S N 0.330 116.099 115.700 0.116 0.000 2.579 346 S HA 0.391 4.860 4.470 -0.001 0.000 0.275 346 S C 0.168 174.824 174.600 0.092 0.000 1.345 346 S CA -0.029 58.231 58.200 0.099 0.000 1.031 346 S CB -0.226 63.049 63.200 0.125 0.000 0.892 346 S HN 0.102 nan 8.310 nan 0.000 0.529 347 L N -0.513 120.740 121.223 0.050 0.000 2.724 347 L HA 0.767 5.106 4.340 -0.001 0.000 0.258 347 L C -0.964 175.913 176.870 0.012 0.000 0.967 347 L CA -0.606 54.244 54.840 0.017 0.000 0.891 347 L CB 1.842 43.890 42.059 -0.018 0.000 1.456 347 L HN 0.468 nan 8.230 nan 0.000 0.416 348 S N 1.146 116.847 115.700 0.001 0.000 2.596 348 S HA 0.574 5.043 4.470 -0.001 0.000 0.318 348 S C 0.641 175.230 174.600 -0.018 0.000 1.097 348 S CA -0.674 57.527 58.200 0.001 0.000 1.080 348 S CB 1.440 64.651 63.200 0.019 0.000 0.991 348 S HN 0.877 nan 8.310 nan 0.000 0.471 349 R N 2.792 123.280 120.500 -0.020 0.000 2.066 349 R HA 0.017 4.356 4.340 -0.001 0.000 0.232 349 R C 1.007 177.292 176.300 -0.025 0.000 1.131 349 R CA 1.454 57.536 56.100 -0.029 0.000 0.955 349 R CB -0.475 29.808 30.300 -0.029 0.000 0.851 349 R HN 0.711 nan 8.270 nan 0.000 0.432 350 L N 0.212 121.427 121.223 -0.014 0.000 2.805 350 L HA 0.266 4.606 4.340 -0.001 0.000 0.237 350 L C 1.982 178.849 176.870 -0.005 0.000 1.252 350 L CA -0.210 54.625 54.840 -0.008 0.000 1.064 350 L CB -0.330 41.730 42.059 0.000 0.000 1.361 350 L HN 0.108 nan 8.230 nan 0.000 0.474 351 M N 0.910 120.501 119.600 -0.016 0.000 2.086 351 M HA -0.187 4.292 4.480 -0.001 0.000 0.261 351 M C 1.822 178.094 176.300 -0.047 0.000 1.067 351 M CA 1.870 57.155 55.300 -0.024 0.000 1.116 351 M CB -0.105 32.469 32.600 -0.044 0.000 1.348 351 M HN 0.456 nan 8.290 nan 0.000 0.407 352 N N 0.444 119.112 118.700 -0.053 0.000 2.334 352 N HA -0.137 4.603 4.740 -0.001 0.000 0.187 352 N C 1.587 177.077 175.510 -0.032 0.000 1.016 352 N CA 1.756 54.772 53.050 -0.056 0.000 0.879 352 N CB -0.378 38.084 38.487 -0.042 0.000 0.965 352 N HN 0.451 nan 8.380 nan 0.000 0.438 353 S N -0.667 115.027 115.700 -0.010 0.000 2.423 353 S HA 0.013 4.482 4.470 -0.001 0.000 0.231 353 S C 1.393 176.009 174.600 0.026 0.000 1.014 353 S CA 0.861 59.067 58.200 0.011 0.000 0.965 353 S CB 0.124 63.335 63.200 0.019 0.000 0.785 353 S HN 0.461 nan 8.310 nan 0.000 0.495 354 G N 1.050 109.870 108.800 0.034 0.000 4.713 354 G HA2 0.623 4.582 3.960 -0.001 0.000 0.318 354 G HA3 0.623 4.582 3.960 -0.001 0.000 0.318 354 G C -0.757 174.162 174.900 0.033 0.000 1.435 354 G CA -0.256 44.896 45.100 0.086 0.000 0.965 354 G HN 0.350 nan 8.290 nan 0.000 0.542 355 I N 0.594 121.124 120.570 -0.066 0.000 2.735 355 I HA 0.560 4.729 4.170 -0.001 0.000 0.287 355 I C -0.131 175.916 176.117 -0.115 0.000 1.452 355 I CA 0.307 61.490 61.300 -0.194 0.000 1.061 355 I CB 1.541 39.306 38.000 -0.392 0.000 1.383 355 I HN 1.074 nan 8.210 nan 0.000 0.425 356 G N 4.981 113.739 108.800 -0.070 0.000 2.705 356 G HA2 0.378 4.337 3.960 -0.001 0.000 0.686 356 G HA3 0.378 4.337 3.960 -0.001 0.000 0.686 356 G C 0.156 175.067 174.900 0.018 0.000 1.285 356 G CA -0.320 44.775 45.100 -0.008 0.000 0.800 356 G HN 2.450 nan 8.290 nan 0.000 0.611 357 A N 0.086 122.938 122.820 0.054 0.000 1.900 357 A HA 0.453 4.772 4.320 -0.001 0.000 0.251 357 A C 2.552 180.164 177.584 0.046 0.000 1.334 357 A CA 1.841 53.918 52.037 0.067 0.000 0.728 357 A CB -1.309 17.737 19.000 0.076 0.000 1.197 357 A HN 3.288 nan 8.150 nan 0.000 0.278 358 G N 0.687 109.512 108.800 0.042 0.000 2.187 358 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.261 358 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.261 358 G C 0.711 175.630 174.900 0.032 0.000 1.000 358 G CA 1.711 46.834 45.100 0.038 0.000 0.718 358 G HN 1.205 nan 8.290 nan 0.000 0.519 359 K N -1.561 118.844 120.400 0.008 0.000 2.354 359 K HA 0.228 4.547 4.320 -0.001 0.000 0.210 359 K C 2.488 179.022 176.600 -0.110 0.000 1.184 359 K CA 1.373 57.659 56.287 -0.002 0.000 0.880 359 K CB 0.323 32.822 32.500 -0.002 0.000 1.328 359 K HN 0.454 nan 8.250 nan 0.000 0.466 360 T N -2.147 112.310 114.554 -0.163 0.000 3.409 360 T HA 0.345 4.695 4.350 -0.001 0.000 0.188 360 T C -0.069 174.566 174.700 -0.108 0.000 0.929 360 T CA -0.504 61.439 62.100 -0.261 0.000 1.184 360 T CB 0.329 69.045 68.868 -0.254 0.000 1.570 360 T HN -0.012 nan 8.240 nan 0.000 0.367 361 R N 0.856 121.327 120.500 -0.049 0.000 2.561 361 R HA 0.260 4.599 4.340 -0.001 0.000 0.266 361 R C 0.842 177.143 176.300 0.002 0.000 1.091 361 R CA -0.077 56.007 56.100 -0.027 0.000 0.927 361 R CB 1.658 31.905 30.300 -0.088 0.000 1.240 361 R HN 0.650 nan 8.270 nan 0.000 0.449 362 E N 2.036 122.278 120.200 0.070 0.000 2.164 362 E HA -0.358 3.991 4.350 -0.001 0.000 0.206 362 E C 0.557 177.133 176.600 -0.040 0.000 1.032 362 E CA 2.316 58.803 56.400 0.146 0.000 0.832 362 E CB -0.135 29.774 29.700 0.349 0.000 0.742 362 E HN 0.726 nan 8.360 nan 0.000 0.460 363 D N 0.149 120.414 120.400 -0.224 0.000 2.269 363 D HA -0.224 4.416 4.640 -0.001 0.000 0.208 363 D C 1.788 177.885 176.300 -0.338 0.000 0.963 363 D CA 1.337 54.969 54.000 -0.614 0.000 0.864 363 D CB -0.838 39.732 40.800 -0.383 0.000 0.936 363 D HN 0.566 nan 8.370 nan 0.000 0.505 364 H N 1.142 120.048 119.070 -0.273 0.000 2.273 364 H HA -0.274 4.281 4.556 -0.001 0.000 0.284 364 H C 2.079 177.294 175.328 -0.189 0.000 1.113 364 H CA 2.545 58.472 56.048 -0.202 0.000 1.169 364 H CB 0.132 29.793 29.762 -0.168 0.000 1.349 364 H HN 0.077 nan 8.280 nan 0.000 0.484 365 K N -0.186 120.199 120.400 -0.025 0.000 2.097 365 K HA -0.097 4.223 4.320 -0.001 0.000 0.206 365 K C 2.258 178.808 176.600 -0.083 0.000 1.049 365 K CA 0.878 57.120 56.287 -0.076 0.000 0.933 365 K CB -0.128 32.316 32.500 -0.093 0.000 0.717 365 K HN 0.411 nan 8.250 nan 0.000 0.442 366 A N 0.319 123.042 122.820 -0.162 0.000 2.067 366 A HA -0.061 4.258 4.320 -0.001 0.000 0.219 366 A C 1.995 179.479 177.584 -0.167 0.000 1.158 366 A CA 1.188 53.134 52.037 -0.151 0.000 0.661 366 A CB -0.153 18.693 19.000 -0.257 0.000 0.801 366 A HN 0.159 nan 8.150 nan 0.000 0.452 367 V N -1.122 118.665 119.914 -0.212 0.000 2.500 367 V HA -0.108 4.012 4.120 -0.001 0.000 0.243 367 V C 2.625 178.622 176.094 -0.162 0.000 1.039 367 V CA 1.811 63.933 62.300 -0.297 0.000 1.053 367 V CB -0.748 30.829 31.823 -0.408 0.000 0.695 367 V HN 0.483 nan 8.190 nan 0.000 0.463 368 S N 0.616 116.288 115.700 -0.047 0.000 2.353 368 S HA -0.245 4.224 4.470 -0.001 0.000 0.222 368 S C 1.731 176.348 174.600 0.029 0.000 1.035 368 S CA 2.046 60.262 58.200 0.027 0.000 1.025 368 S CB -0.446 62.798 63.200 0.073 0.000 0.902 368 S HN 0.625 nan 8.310 nan 0.000 0.440 369 D N 0.789 121.184 120.400 -0.008 0.000 2.092 369 D HA -0.123 4.516 4.640 -0.001 0.000 0.193 369 D C 2.120 178.439 176.300 0.032 0.000 0.994 369 D CA 1.151 55.156 54.000 0.008 0.000 0.828 369 D CB -0.420 40.370 40.800 -0.017 0.000 0.963 369 D HN 0.238 nan 8.370 nan 0.000 0.450 370 Q N -0.445 119.338 119.800 -0.029 0.000 2.167 370 Q HA -0.006 4.333 4.340 -0.001 0.000 0.202 370 Q C 1.999 177.953 176.000 -0.076 0.000 0.970 370 Q CA 1.101 56.868 55.803 -0.060 0.000 0.855 370 Q CB -0.071 28.596 28.738 -0.117 0.000 0.911 370 Q HN 0.304 nan 8.270 nan 0.000 0.438 371 M N -1.541 118.034 119.600 -0.042 0.000 2.077 371 M HA -0.156 4.323 4.480 -0.001 0.000 0.261 371 M C 1.770 178.066 176.300 -0.007 0.000 1.070 371 M CA 1.543 56.858 55.300 0.026 0.000 1.125 371 M CB -0.475 32.120 32.600 -0.008 0.000 1.339 371 M HN 0.276 nan 8.290 nan 0.000 0.409 372 Y N 1.031 121.287 120.300 -0.073 0.000 2.053 372 Y HA -0.335 4.215 4.550 -0.000 0.000 0.277 372 Y C 2.468 178.351 175.900 -0.030 0.000 1.159 372 Y CA 2.190 60.265 58.100 -0.042 0.000 1.125 372 Y CB -0.505 37.949 38.460 -0.009 0.000 0.969 372 Y HN 0.217 nan 8.280 nan 0.000 0.492 373 A N -0.060 122.840 122.820 0.133 0.000 1.883 373 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 373 A C 2.479 180.050 177.584 -0.022 0.000 1.186 373 A CA 1.938 53.995 52.037 0.033 0.000 0.624 373 A CB -1.787 17.239 19.000 0.043 0.000 0.822 373 A HN 0.618 nan 8.150 nan 0.000 0.444 374 G N -2.356 106.443 108.800 -0.002 0.000 2.448 374 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.219 374 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.219 374 G C 1.516 176.544 174.900 0.214 0.000 1.127 374 G CA 1.342 46.450 45.100 0.013 0.000 0.766 374 G HN 0.554 nan 8.290 nan 0.000 0.552 375 Y N 1.605 121.869 120.300 -0.061 0.000 2.314 375 Y HA 0.339 4.888 4.550 -0.002 0.000 0.294 375 Y C 2.791 178.570 175.900 -0.203 0.000 1.119 375 Y CA 0.361 58.348 58.100 -0.188 0.000 1.179 375 Y CB -0.498 37.517 38.460 -0.742 0.000 1.025 375 Y HN 0.218 nan 8.280 nan 0.000 0.541 376 A N 0.075 122.701 122.820 -0.324 0.000 1.908 376 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 376 A C 2.141 179.579 177.584 -0.243 0.000 1.181 376 A CA 2.009 53.820 52.037 -0.377 0.000 0.627 376 A CB -0.792 18.002 19.000 -0.344 0.000 0.818 376 A HN 0.494 nan 8.150 nan 0.000 0.445 377 E N -0.383 119.714 120.200 -0.171 0.000 2.031 377 E HA -0.045 4.304 4.350 -0.001 0.000 0.193 377 E C 2.082 178.629 176.600 -0.088 0.000 0.994 377 E CA 1.594 57.881 56.400 -0.188 0.000 0.800 377 E CB -0.766 28.698 29.700 -0.393 0.000 0.752 377 E HN 0.410 nan 8.360 nan 0.000 0.447 378 G N 0.838 109.674 108.800 0.061 0.000 2.491 378 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.218 378 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.218 378 G C 1.656 176.551 174.900 -0.007 0.000 1.180 378 G CA 0.952 46.132 45.100 0.134 0.000 0.774 378 G HN 0.105 nan 8.290 nan 0.000 0.562 379 R N 0.740 121.143 120.500 -0.160 0.000 2.119 379 R HA -0.102 4.237 4.340 -0.001 0.000 0.246 379 R C 2.196 178.413 176.300 -0.138 0.000 1.146 379 R CA 1.608 57.569 56.100 -0.232 0.000 0.962 379 R CB -0.804 29.223 30.300 -0.455 0.000 0.863 379 R HN 0.337 nan 8.270 nan 0.000 0.442 380 D N 0.423 120.745 120.400 -0.131 0.000 2.117 380 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 380 D C 1.944 178.210 176.300 -0.058 0.000 0.987 380 D CA 0.842 54.785 54.000 -0.095 0.000 0.829 380 D CB -0.182 40.555 40.800 -0.106 0.000 0.961 380 D HN 0.179 nan 8.370 nan 0.000 0.460 381 L N 0.282 121.481 121.223 -0.040 0.000 2.551 381 L HA 0.034 4.373 4.340 -0.001 0.000 0.228 381 L C 2.140 179.015 176.870 0.009 0.000 1.153 381 L CA 0.404 55.239 54.840 -0.008 0.000 0.851 381 L CB -0.070 42.001 42.059 0.021 0.000 0.959 381 L HN -0.087 nan 8.230 nan 0.000 0.451 382 R N -0.230 120.271 120.500 0.001 0.000 2.235 382 R HA -0.029 4.310 4.340 -0.001 0.000 0.213 382 R C 2.191 178.492 176.300 0.000 0.000 1.059 382 R CA 0.905 57.010 56.100 0.009 0.000 0.997 382 R CB -0.245 30.058 30.300 0.005 0.000 0.884 382 R HN 0.406 nan 8.270 nan 0.000 0.462 383 G N 0.882 109.675 108.800 -0.012 0.000 2.447 383 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.211 383 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.211 383 G C 1.240 176.135 174.900 -0.008 0.000 1.184 383 G CA -0.203 44.889 45.100 -0.013 0.000 0.813 383 G HN 0.104 nan 8.290 nan 0.000 0.540 384 L N 0.883 122.100 121.223 -0.011 0.000 2.129 384 L HA -0.014 4.325 4.340 -0.001 0.000 0.212 384 L C 2.732 179.603 176.870 0.002 0.000 1.087 384 L CA 1.143 55.979 54.840 -0.008 0.000 0.757 384 L CB -0.217 41.834 42.059 -0.012 0.000 0.896 384 L HN 0.093 nan 8.230 nan 0.000 0.434 385 V N -0.758 119.161 119.914 0.008 0.000 2.515 385 V HA -0.168 3.951 4.120 -0.001 0.000 0.250 385 V C 2.301 178.402 176.094 0.012 0.000 1.058 385 V CA 1.550 63.859 62.300 0.015 0.000 1.064 385 V CB -0.168 31.669 31.823 0.024 0.000 0.675 385 V HN 0.536 nan 8.190 nan 0.000 0.461 386 A N -1.201 121.624 122.820 0.008 0.000 2.251 386 A HA 0.217 4.537 4.320 -0.001 0.000 0.209 386 A C 1.867 179.454 177.584 0.004 0.000 1.187 386 A CA 0.674 52.715 52.037 0.007 0.000 0.823 386 A CB -0.261 18.743 19.000 0.006 0.000 0.846 386 A HN 0.584 nan 8.150 nan 0.000 0.486 387 I N -0.835 119.736 120.570 0.002 0.000 2.729 387 I HA -0.039 4.130 4.170 -0.001 0.000 0.256 387 I C 1.396 177.515 176.117 0.002 0.000 1.115 387 I CA 0.989 62.289 61.300 0.000 0.000 1.446 387 I CB 0.516 38.514 38.000 -0.004 0.000 1.176 387 I HN 0.171 nan 8.210 nan 0.000 0.446 388 V N -1.686 118.230 119.914 0.003 0.000 3.070 388 V HA 0.655 4.774 4.120 -0.001 0.000 0.345 388 V C 0.524 176.623 176.094 0.008 0.000 1.403 388 V CA -0.222 62.081 62.300 0.005 0.000 1.155 388 V CB -0.682 31.143 31.823 0.003 0.000 1.140 388 V HN 0.427 nan 8.190 nan 0.000 0.505 389 G N 1.057 109.862 108.800 0.010 0.000 2.755 389 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.686 389 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.686 389 G C 0.323 175.233 174.900 0.017 0.000 1.427 389 G CA 0.292 45.399 45.100 0.013 0.000 0.873 389 G HN 0.444 nan 8.290 nan 0.000 0.580 390 K N -0.052 120.361 120.400 0.020 0.000 2.026 390 K HA -0.120 4.200 4.320 -0.001 0.000 0.208 390 K C 2.318 178.933 176.600 0.026 0.000 1.048 390 K CA 2.007 58.309 56.287 0.026 0.000 0.929 390 K CB -0.132 32.385 32.500 0.028 0.000 0.713 390 K HN 0.449 nan 8.250 nan 0.000 0.439 391 E N 0.424 120.637 120.200 0.022 0.000 2.077 391 E HA -0.054 4.295 4.350 -0.001 0.000 0.193 391 E C 0.363 176.975 176.600 0.019 0.000 0.989 391 E CA 0.992 57.404 56.400 0.021 0.000 0.800 391 E CB -0.146 29.564 29.700 0.017 0.000 0.746 391 E HN 0.322 nan 8.360 nan 0.000 0.452 392 A N 0.915 123.744 122.820 0.016 0.000 3.051 392 A HA 0.292 4.611 4.320 -0.001 0.000 0.257 392 A C -0.309 177.284 177.584 0.015 0.000 1.785 392 A CA -0.020 52.025 52.037 0.013 0.000 1.420 392 A CB -0.696 18.310 19.000 0.010 0.000 1.063 392 A HN 0.105 nan 8.150 nan 0.000 0.630 393 L N -0.186 121.048 121.223 0.019 0.000 2.359 393 L HA 0.592 4.931 4.340 -0.001 0.000 0.256 393 L C 0.413 177.298 176.870 0.025 0.000 1.026 393 L CA -0.156 54.698 54.840 0.023 0.000 0.828 393 L CB 2.043 44.121 42.059 0.032 0.000 1.406 393 L HN 0.305 nan 8.230 nan 0.000 0.413 394 S N 0.631 116.347 115.700 0.026 0.000 2.617 394 S HA 0.237 4.706 4.470 -0.001 0.000 0.269 394 S C 0.866 175.492 174.600 0.043 0.000 1.292 394 S CA -0.063 58.154 58.200 0.028 0.000 1.010 394 S CB 0.744 63.956 63.200 0.021 0.000 0.944 394 S HN 0.650 nan 8.310 nan 0.000 0.536 395 E N 1.906 122.130 120.200 0.040 0.000 2.051 395 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 395 E C 2.192 178.834 176.600 0.069 0.000 0.991 395 E CA 1.551 57.978 56.400 0.045 0.000 0.799 395 E CB -0.388 29.331 29.700 0.032 0.000 0.748 395 E HN 0.816 nan 8.360 nan 0.000 0.449 396 R N 1.374 121.924 120.500 0.083 0.000 2.075 396 R HA -0.095 4.245 4.340 -0.001 0.000 0.232 396 R C 1.563 177.997 176.300 0.223 0.000 1.126 396 R CA 1.915 58.104 56.100 0.148 0.000 0.963 396 R CB -0.753 29.630 30.300 0.138 0.000 0.858 396 R HN -0.017 nan 8.270 nan 0.000 0.435 397 D N 0.095 120.577 120.400 0.137 0.000 2.144 397 D HA -0.100 4.539 4.640 -0.001 0.000 0.199 397 D C 1.545 177.942 176.300 0.162 0.000 0.984 397 D CA 1.996 56.073 54.000 0.128 0.000 0.834 397 D CB -0.407 40.424 40.800 0.051 0.000 0.955 397 D HN 0.388 nan 8.370 nan 0.000 0.465 398 T N 0.571 115.203 114.554 0.130 0.000 2.788 398 T HA -0.116 4.233 4.350 -0.001 0.000 0.268 398 T C 1.886 176.682 174.700 0.161 0.000 1.044 398 T CA 1.093 63.267 62.100 0.123 0.000 1.139 398 T CB 0.038 68.959 68.868 0.089 0.000 0.867 398 T HN -0.006 nan 8.240 nan 0.000 0.454 399 K N 0.710 121.207 120.400 0.162 0.000 2.057 399 K HA 0.141 4.460 4.320 -0.001 0.000 0.206 399 K C 1.724 178.421 176.600 0.161 0.000 1.050 399 K CA 1.048 57.416 56.287 0.134 0.000 0.935 399 K CB -0.554 31.950 32.500 0.006 0.000 0.715 399 K HN 0.306 nan 8.250 nan 0.000 0.439 400 F N 0.131 120.153 119.950 0.120 0.000 2.234 400 F HA -0.094 4.432 4.527 -0.002 0.000 0.299 400 F C 1.934 177.848 175.800 0.190 0.000 1.087 400 F CA 0.611 58.688 58.000 0.128 0.000 1.340 400 F CB -0.299 38.710 39.000 0.015 0.000 1.031 400 F HN -0.030 nan 8.300 nan 0.000 0.500 401 L N 0.358 121.764 121.223 0.306 0.000 2.046 401 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 401 L C 2.078 179.065 176.870 0.196 0.000 1.077 401 L CA 1.925 56.890 54.840 0.209 0.000 0.747 401 L CB -0.584 41.563 42.059 0.146 0.000 0.896 401 L HN 0.093 nan 8.230 nan 0.000 0.432 402 E N -1.317 119.004 120.200 0.201 0.000 2.152 402 E HA -0.222 4.127 4.350 -0.001 0.000 0.192 402 E C 1.959 178.634 176.600 0.124 0.000 0.983 402 E CA 1.261 57.751 56.400 0.150 0.000 0.818 402 E CB -0.266 29.555 29.700 0.201 0.000 0.758 402 E HN 0.545 nan 8.360 nan 0.000 0.467 403 F N 1.614 121.606 119.950 0.071 0.000 2.069 403 F HA -0.227 4.299 4.527 -0.002 0.000 0.298 403 F C 2.248 178.121 175.800 0.122 0.000 1.113 403 F CA 1.590 59.615 58.000 0.042 0.000 1.214 403 F CB -0.322 38.656 39.000 -0.037 0.000 0.978 403 F HN -0.030 nan 8.300 nan 0.000 0.474 404 A N -0.250 122.785 122.820 0.359 0.000 2.032 404 A HA -0.255 4.064 4.320 -0.001 0.000 0.221 404 A C 1.738 179.468 177.584 0.244 0.000 1.165 404 A CA 2.304 54.577 52.037 0.393 0.000 0.645 404 A CB -1.091 18.118 19.000 0.348 0.000 0.807 404 A HN 0.534 nan 8.150 nan 0.000 0.453 405 D N -0.867 119.605 120.400 0.120 0.000 2.137 405 D HA -0.005 4.634 4.640 -0.001 0.000 0.202 405 D C 1.699 177.978 176.300 -0.035 0.000 0.970 405 D CA 0.691 54.724 54.000 0.054 0.000 0.837 405 D CB -0.136 40.686 40.800 0.036 0.000 0.981 405 D HN 0.322 nan 8.370 nan 0.000 0.475 406 L N -0.355 120.790 121.223 -0.131 0.000 2.156 406 L HA -0.027 4.312 4.340 -0.001 0.000 0.208 406 L C 1.851 178.577 176.870 -0.240 0.000 1.095 406 L CA 0.797 55.509 54.840 -0.213 0.000 0.770 406 L CB -0.318 41.558 42.059 -0.305 0.000 0.914 406 L HN 0.027 nan 8.230 nan 0.000 0.439 407 F N 0.742 120.396 119.950 -0.494 0.000 2.051 407 F HA -0.254 4.272 4.527 -0.002 0.000 0.296 407 F C 2.400 178.024 175.800 -0.293 0.000 1.122 407 F CA 1.940 59.626 58.000 -0.524 0.000 1.201 407 F CB -0.129 38.405 39.000 -0.776 0.000 0.978 407 F HN 0.089 nan 8.300 nan 0.000 0.472 408 E N -0.313 119.820 120.200 -0.112 0.000 2.051 408 E HA -0.264 4.085 4.350 -0.001 0.000 0.192 408 E C 1.855 178.376 176.600 -0.132 0.000 0.991 408 E CA 1.637 57.976 56.400 -0.102 0.000 0.799 408 E CB -0.345 29.392 29.700 0.062 0.000 0.748 408 E HN 0.495 nan 8.360 nan 0.000 0.449 409 D N 0.165 120.503 120.400 -0.102 0.000 2.084 409 D HA -0.122 4.517 4.640 -0.001 0.000 0.194 409 D C 1.681 177.911 176.300 -0.117 0.000 0.990 409 D CA 1.283 55.229 54.000 -0.090 0.000 0.826 409 D CB 0.258 41.015 40.800 -0.071 0.000 0.971 409 D HN -0.080 nan 8.370 nan 0.000 0.453 410 K N -1.662 118.651 120.400 -0.146 0.000 2.370 410 K HA 0.072 4.391 4.320 -0.001 0.000 0.194 410 K C 1.439 177.947 176.600 -0.153 0.000 1.070 410 K CA -0.158 56.052 56.287 -0.129 0.000 0.998 410 K CB 0.381 32.823 32.500 -0.097 0.000 0.911 410 K HN 0.179 nan 8.250 nan 0.000 0.533 411 F N 0.842 120.539 119.950 -0.423 0.000 2.317 411 F HA -0.056 4.470 4.527 -0.002 0.000 0.290 411 F C 1.773 177.252 175.800 -0.536 0.000 1.075 411 F CA 0.503 58.183 58.000 -0.534 0.000 1.380 411 F CB 0.262 38.763 39.000 -0.831 0.000 1.093 411 F HN -0.329 nan 8.300 nan 0.000 0.524 412 V N 0.657 120.252 119.914 -0.532 0.000 2.302 412 V HA -0.093 4.027 4.120 -0.001 0.000 0.243 412 V C 1.280 177.186 176.094 -0.313 0.000 1.036 412 V CA 0.974 63.008 62.300 -0.442 0.000 1.020 412 V CB -0.634 31.003 31.823 -0.310 0.000 0.657 412 V HN 0.045 nan 8.190 nan 0.000 0.453 413 R N 2.388 122.756 120.500 -0.219 0.000 2.404 413 R HA 0.131 4.470 4.340 -0.001 0.000 0.315 413 R C -0.192 176.036 176.300 -0.119 0.000 1.032 413 R CA 0.155 56.181 56.100 -0.124 0.000 0.992 413 R CB 0.042 30.298 30.300 -0.074 0.000 0.959 413 R HN 0.727 nan 8.270 nan 0.000 0.428 414 Q N 2.712 122.472 119.800 -0.066 0.000 2.389 414 Q HA 0.453 4.792 4.340 -0.001 0.000 0.277 414 Q C -0.505 175.536 176.000 0.068 0.000 1.082 414 Q CA -1.062 54.718 55.803 -0.038 0.000 0.810 414 Q CB 1.509 30.184 28.738 -0.105 0.000 1.374 414 Q HN 0.587 nan 8.270 nan 0.000 0.422 415 G N 0.672 109.503 108.800 0.050 0.000 2.630 415 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.236 415 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.236 415 G C -0.125 174.852 174.900 0.128 0.000 1.248 415 G CA -0.429 44.721 45.100 0.084 0.000 0.844 415 G HN 0.822 nan 8.290 nan 0.000 0.588 416 W N 0.731 121.972 121.300 -0.098 0.000 2.421 416 W HA -0.033 4.626 4.660 -0.001 0.000 0.270 416 W C 0.914 177.398 176.519 -0.058 0.000 1.233 416 W CA 0.897 58.150 57.345 -0.155 0.000 1.226 416 W CB 0.023 29.327 29.460 -0.260 0.000 1.121 416 W HN 0.669 nan 8.180 nan 0.000 0.579 417 N N -0.587 118.236 118.700 0.206 0.000 2.307 417 N HA -0.020 4.720 4.740 -0.001 0.000 0.248 417 N C -1.024 174.523 175.510 0.061 0.000 1.322 417 N CA -0.168 52.955 53.050 0.122 0.000 0.861 417 N CB 0.606 39.138 38.487 0.076 0.000 1.303 417 N HN 0.085 nan 8.380 nan 0.000 0.498 418 E N 0.247 120.478 120.200 0.052 0.000 2.109 418 E HA 0.222 4.571 4.350 -0.001 0.000 0.278 418 E C -0.790 175.813 176.600 0.006 0.000 0.954 418 E CA -0.797 55.614 56.400 0.019 0.000 0.779 418 E CB 0.761 30.465 29.700 0.006 0.000 1.093 418 E HN -0.065 nan 8.360 nan 0.000 0.401 419 N N 4.387 123.089 118.700 0.003 0.000 2.719 419 N HA 0.069 4.808 4.740 -0.001 0.000 0.243 419 N C -0.962 174.541 175.510 -0.011 0.000 1.104 419 N CA -0.430 52.617 53.050 -0.004 0.000 0.981 419 N CB 0.294 38.782 38.487 0.002 0.000 1.290 419 N HN 0.440 nan 8.380 nan 0.000 0.513 420 R N 1.293 121.777 120.500 -0.028 0.000 2.351 420 R HA 0.055 4.394 4.340 -0.001 0.000 0.318 420 R C 0.484 176.777 176.300 -0.011 0.000 1.055 420 R CA -0.029 56.050 56.100 -0.034 0.000 0.968 420 R CB 0.415 30.669 30.300 -0.076 0.000 0.974 420 R HN 0.330 nan 8.270 nan 0.000 0.439 421 T N 2.664 117.219 114.554 0.002 0.000 2.900 421 T HA 0.012 4.361 4.350 -0.001 0.000 0.307 421 T C 1.904 176.611 174.700 0.011 0.000 1.065 421 T CA -0.654 61.461 62.100 0.024 0.000 1.105 421 T CB 0.413 69.295 68.868 0.023 0.000 0.979 421 T HN 0.390 nan 8.240 nan 0.000 0.544 422 I N 3.034 123.620 120.570 0.027 0.000 2.236 422 I HA -0.146 4.024 4.170 -0.001 0.000 0.249 422 I C 2.273 178.334 176.117 -0.093 0.000 1.102 422 I CA 1.719 62.984 61.300 -0.058 0.000 1.365 422 I CB -0.907 36.996 38.000 -0.162 0.000 1.051 422 I HN 0.822 nan 8.210 nan 0.000 0.420 423 E N 0.095 120.265 120.200 -0.049 0.000 2.077 423 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 423 E C 1.716 178.313 176.600 -0.004 0.000 0.989 423 E CA 1.400 57.783 56.400 -0.029 0.000 0.800 423 E CB -0.025 29.675 29.700 -0.001 0.000 0.746 423 E HN 0.505 nan 8.360 nan 0.000 0.452 424 D N 0.167 120.565 120.400 -0.002 0.000 2.078 424 D HA -0.132 4.507 4.640 -0.001 0.000 0.193 424 D C 2.017 178.321 176.300 0.007 0.000 0.990 424 D CA 1.521 55.523 54.000 0.004 0.000 0.827 424 D CB -0.830 39.964 40.800 -0.010 0.000 0.975 424 D HN 0.049 nan 8.370 nan 0.000 0.451 425 T N 1.273 115.814 114.554 -0.022 0.000 2.649 425 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 425 T C 2.160 176.917 174.700 0.095 0.000 1.036 425 T CA 1.092 63.189 62.100 -0.005 0.000 1.157 425 T CB -0.480 68.361 68.868 -0.045 0.000 0.861 425 T HN 0.120 nan 8.240 nan 0.000 0.445 426 L N 0.300 121.521 121.223 -0.003 0.000 2.179 426 L HA 0.007 4.347 4.340 -0.001 0.000 0.208 426 L C 2.824 179.765 176.870 0.117 0.000 1.096 426 L CA 0.905 55.729 54.840 -0.027 0.000 0.779 426 L CB -0.344 41.639 42.059 -0.126 0.000 0.922 426 L HN 0.122 nan 8.230 nan 0.000 0.443 427 E N 0.221 120.514 120.200 0.155 0.000 2.208 427 E HA -0.104 4.245 4.350 -0.001 0.000 0.193 427 E C 2.260 178.975 176.600 0.190 0.000 0.988 427 E CA 0.943 57.483 56.400 0.232 0.000 0.828 427 E CB 0.016 29.797 29.700 0.136 0.000 0.763 427 E HN 0.526 nan 8.360 nan 0.000 0.478 428 I N 0.645 121.295 120.570 0.132 0.000 2.252 428 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 428 I C 2.458 178.649 176.117 0.123 0.000 1.102 428 I CA 1.273 62.647 61.300 0.124 0.000 1.385 428 I CB -0.461 37.612 38.000 0.121 0.000 1.064 428 I HN 0.090 nan 8.210 nan 0.000 0.414 429 G N -0.179 108.671 108.800 0.084 0.000 2.448 429 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 429 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 429 G C 1.340 176.140 174.900 -0.165 0.000 1.127 429 G CA 0.319 45.337 45.100 -0.137 0.000 0.766 429 G HN 0.407 nan 8.290 nan 0.000 0.552 430 W N 0.115 121.423 121.300 0.013 0.000 2.453 430 W HA 0.118 4.777 4.660 -0.001 0.000 0.289 430 W C 2.768 179.278 176.519 -0.016 0.000 1.215 430 W CA 0.377 57.725 57.345 0.004 0.000 1.297 430 W CB 0.238 29.694 29.460 -0.006 0.000 1.113 430 W HN 0.091 nan 8.180 nan 0.000 0.551 431 Q N 0.093 120.019 119.800 0.210 0.000 2.437 431 Q HA -0.079 4.260 4.340 -0.001 0.000 0.210 431 Q C 1.930 177.990 176.000 0.101 0.000 0.972 431 Q CA 1.000 56.874 55.803 0.120 0.000 0.903 431 Q CB -0.000 28.787 28.738 0.082 0.000 0.967 431 Q HN 0.498 nan 8.270 nan 0.000 0.486 432 I N -0.767 119.864 120.570 0.103 0.000 3.339 432 I HA -0.067 4.102 4.170 -0.001 0.000 0.285 432 I C 1.487 177.796 176.117 0.319 0.000 1.201 432 I CA 0.254 61.614 61.300 0.100 0.000 1.434 432 I CB 0.337 38.299 38.000 -0.063 0.000 1.152 432 I HN 0.100 nan 8.210 nan 0.000 0.443 433 L N 0.624 122.008 121.223 0.267 0.000 2.395 433 L HA -0.097 4.242 4.340 -0.001 0.000 0.218 433 L C 2.453 179.486 176.870 0.271 0.000 1.130 433 L CA 1.293 56.274 54.840 0.235 0.000 0.826 433 L CB -0.630 41.452 42.059 0.039 0.000 0.941 433 L HN 0.360 nan 8.230 nan 0.000 0.451 434 T N -4.372 110.341 114.554 0.266 0.000 2.833 434 T HA -0.279 4.070 4.350 -0.001 0.000 0.269 434 T C 1.755 176.593 174.700 0.231 0.000 1.054 434 T CA 1.417 63.674 62.100 0.263 0.000 1.135 434 T CB -0.433 68.493 68.868 0.096 0.000 0.869 434 T HN 0.334 nan 8.240 nan 0.000 0.466 435 H N 0.827 119.976 119.070 0.133 0.000 2.423 435 H HA 0.293 4.848 4.556 -0.001 0.000 0.297 435 H C 0.661 176.008 175.328 0.032 0.000 1.075 435 H CA 0.606 56.710 56.048 0.094 0.000 1.342 435 H CB -0.462 29.370 29.762 0.117 0.000 1.395 435 H HN 0.320 nan 8.280 nan 0.000 0.530 436 L N 2.557 123.804 121.223 0.039 0.000 2.439 436 L HA 0.192 4.531 4.340 -0.001 0.000 0.269 436 L C -1.800 175.013 176.870 -0.096 0.000 1.179 436 L CA -2.067 52.650 54.840 -0.204 0.000 0.828 436 L CB 0.565 42.344 42.059 -0.466 0.000 1.106 436 L HN 0.208 nan 8.230 nan 0.000 0.467 437 P HA 0.009 nan 4.420 nan 0.000 0.272 437 P C 0.027 177.316 177.300 -0.018 0.000 1.223 437 P CA -0.226 62.852 63.100 -0.038 0.000 0.784 437 P CB 0.922 32.611 31.700 -0.018 0.000 0.923 438 E N 1.644 121.833 120.200 -0.017 0.000 2.150 438 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 438 E C 1.595 178.202 176.600 0.013 0.000 0.985 438 E CA 0.946 57.334 56.400 -0.021 0.000 0.814 438 E CB -0.121 29.544 29.700 -0.058 0.000 0.752 438 E HN 0.446 nan 8.360 nan 0.000 0.466 439 N N 0.204 118.915 118.700 0.017 0.000 2.453 439 N HA -0.178 4.561 4.740 -0.001 0.000 0.183 439 N C 1.351 176.887 175.510 0.043 0.000 1.041 439 N CA 0.741 53.808 53.050 0.028 0.000 0.900 439 N CB -0.053 38.448 38.487 0.023 0.000 0.961 439 N HN 0.210 nan 8.380 nan 0.000 0.443 440 Q N 0.392 120.227 119.800 0.059 0.000 2.354 440 Q HA 0.231 4.571 4.340 -0.001 0.000 0.203 440 Q C 0.397 176.454 176.000 0.095 0.000 0.933 440 Q CA 0.029 55.898 55.803 0.109 0.000 0.901 440 Q CB 0.282 29.152 28.738 0.219 0.000 1.007 440 Q HN 0.459 nan 8.270 nan 0.000 0.495 441 L N 1.127 122.383 121.223 0.055 0.000 2.536 441 L HA 0.097 4.436 4.340 -0.001 0.000 0.282 441 L C 1.294 178.196 176.870 0.053 0.000 1.174 441 L CA -0.177 54.690 54.840 0.045 0.000 0.989 441 L CB 0.171 42.263 42.059 0.055 0.000 1.311 441 L HN 0.076 nan 8.230 nan 0.000 0.455 442 G N 1.968 110.796 108.800 0.046 0.000 2.798 442 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.200 442 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.200 442 G C 1.373 176.297 174.900 0.041 0.000 1.092 442 G CA -0.311 44.813 45.100 0.041 0.000 0.800 442 G HN 0.485 nan 8.290 nan 0.000 0.566 443 R N -0.041 120.477 120.500 0.030 0.000 2.395 443 R HA 0.224 4.563 4.340 -0.001 0.000 0.202 443 R C -0.097 176.229 176.300 0.043 0.000 1.088 443 R CA 0.060 56.176 56.100 0.027 0.000 1.090 443 R CB -0.274 30.034 30.300 0.014 0.000 0.876 443 R HN 0.361 nan 8.270 nan 0.000 0.477 444 I N -0.112 120.500 120.570 0.071 0.000 2.608 444 I HA 0.183 4.352 4.170 -0.001 0.000 0.295 444 I C -0.899 175.329 176.117 0.184 0.000 1.049 444 I CA -0.951 60.427 61.300 0.130 0.000 1.063 444 I CB 1.786 39.859 38.000 0.122 0.000 1.248 444 I HN -0.096 nan 8.210 nan 0.000 0.424 445 D N 5.752 126.328 120.400 0.294 0.000 2.382 445 D HA 0.003 4.642 4.640 -0.001 0.000 0.245 445 D C 0.641 177.063 176.300 0.203 0.000 1.120 445 D CA 0.093 54.226 54.000 0.222 0.000 0.890 445 D CB 1.052 41.963 40.800 0.186 0.000 1.201 445 D HN 0.562 nan 8.370 nan 0.000 0.433 446 N N 1.997 120.754 118.700 0.095 0.000 2.244 446 N HA -0.166 4.574 4.740 -0.001 0.000 0.183 446 N C 1.544 177.071 175.510 0.028 0.000 1.016 446 N CA 0.854 53.941 53.050 0.061 0.000 0.866 446 N CB 0.173 38.665 38.487 0.009 0.000 0.980 446 N HN 0.447 nan 8.380 nan 0.000 0.430 447 K N -0.649 119.731 120.400 -0.032 0.000 2.280 447 K HA -0.134 4.186 4.320 -0.001 0.000 0.202 447 K C 1.418 177.978 176.600 -0.066 0.000 1.047 447 K CA 1.097 57.319 56.287 -0.109 0.000 0.942 447 K CB -0.326 32.055 32.500 -0.199 0.000 0.739 447 K HN 0.280 nan 8.250 nan 0.000 0.457 448 Y N 0.337 120.724 120.300 0.144 0.000 2.365 448 Y HA -0.012 4.537 4.550 -0.002 0.000 0.293 448 Y C 2.120 178.204 175.900 0.307 0.000 1.119 448 Y CA -0.093 58.175 58.100 0.281 0.000 1.203 448 Y CB 0.251 38.915 38.460 0.340 0.000 1.026 448 Y HN -0.001 nan 8.280 nan 0.000 0.549 449 I N 0.084 120.888 120.570 0.391 0.000 2.163 449 I HA -0.265 3.904 4.170 -0.001 0.000 0.240 449 I C 2.042 178.227 176.117 0.114 0.000 1.081 449 I CA 1.461 62.958 61.300 0.327 0.000 1.353 449 I CB -1.187 36.958 38.000 0.242 0.000 1.054 449 I HN 0.324 nan 8.210 nan 0.000 0.407 450 Q N 0.450 120.210 119.800 -0.067 0.000 2.364 450 Q HA -0.186 4.153 4.340 -0.001 0.000 0.209 450 Q C 2.022 177.949 176.000 -0.121 0.000 0.977 450 Q CA 1.050 56.724 55.803 -0.216 0.000 0.885 450 Q CB -0.078 28.503 28.738 -0.263 0.000 0.941 450 Q HN 0.509 nan 8.270 nan 0.000 0.464 451 K N -1.264 119.061 120.400 -0.125 0.000 2.308 451 K HA 0.020 4.339 4.320 -0.001 0.000 0.197 451 K C 0.708 176.971 176.600 -0.563 0.000 1.049 451 K CA 0.444 56.540 56.287 -0.319 0.000 0.991 451 K CB 0.515 32.833 32.500 -0.304 0.000 0.836 451 K HN 0.107 nan 8.250 nan 0.000 0.500 452 Y N -1.830 118.300 120.300 -0.284 0.000 2.476 452 Y HA 0.127 4.676 4.550 -0.001 0.000 0.261 452 Y C 0.227 175.386 175.900 -1.234 0.000 1.077 452 Y CA -0.626 57.030 58.100 -0.740 0.000 1.240 452 Y CB 0.723 38.697 38.460 -0.810 0.000 1.317 452 Y HN 0.005 nan 8.280 nan 0.000 0.540 453 H N 3.526 122.155 119.070 -0.734 0.000 2.899 453 H HA 0.053 4.608 4.556 -0.002 0.000 0.303 453 H C -2.003 173.233 175.328 -0.154 0.000 1.042 453 H CA -1.429 54.407 56.048 -0.353 0.000 1.479 453 H CB 1.639 31.475 29.762 0.124 0.000 1.493 453 H HN 0.065 nan 8.280 nan 0.000 0.534 454 P HA -0.177 nan 4.420 nan 0.000 0.218 454 P C 0.983 178.241 177.300 -0.069 0.000 1.146 454 P CA 1.911 64.907 63.100 -0.173 0.000 0.820 454 P CB 0.157 31.753 31.700 -0.173 0.000 0.778 455 A N -1.815 121.015 122.820 0.017 0.000 2.016 455 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 455 A C 1.908 179.412 177.584 -0.134 0.000 1.162 455 A CA 1.224 53.247 52.037 -0.023 0.000 0.662 455 A CB -0.990 18.012 19.000 0.002 0.000 0.812 455 A HN 0.232 nan 8.150 nan 0.000 0.450 456 H N -1.154 117.981 119.070 0.108 0.000 2.379 456 H HA 0.122 4.677 4.556 -0.001 0.000 0.308 456 H C 0.817 176.125 175.328 -0.034 0.000 1.047 456 H CA 0.473 56.535 56.048 0.023 0.000 1.371 456 H CB -0.451 29.319 29.762 0.013 0.000 1.449 456 H HN 0.394 nan 8.280 nan 0.000 0.564 457 R N 3.158 123.691 120.500 0.055 0.000 4.465 457 R HA -0.126 4.213 4.340 -0.001 0.000 0.211 457 R C -0.227 176.043 176.300 -0.050 0.000 0.394 457 R CA 0.310 56.373 56.100 -0.063 0.000 0.944 457 R CB -0.227 29.997 30.300 -0.126 0.000 0.933 457 R HN 0.265 nan 8.270 nan 0.000 0.283 458 K N 0.000 120.370 120.400 -0.051 0.000 2.780 458 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 458 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 458 K CB 0.000 32.479 32.500 -0.034 0.000 1.064 458 K HN 0.000 nan 8.250 nan 0.000 0.543