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 3a5s_1_B DATA FIRST_RESID 8 DATA SEQUENCE KLATVMAIGT ANPPNCYYQA DFPDFYFRVT NSDHLINLKQ KFKRLCENSR DATA SEQUENCE IEKRYLHVTE EILKENPNIA AYEATSLNVR HKMQVKGVAE LGKEAALKAI DATA SEQUENCE KEWGQPKSKI THLIVCCLAG VDMPGADYQL TKLLDLDPSV KRFMFYHLGC DATA SEQUENCE YAGGTVLRLA KDIAENNKGA RVLIVCSEMT TTCFRGPSET HLDSMIGQAL DATA SEQUENCE FGDGAAAVIV GADPDLTVER PIFELVSTAQ TIVPESHGAI EGHLLESGLS DATA SEQUENCE FHLYKTVPTL ISNNIKTCLS DAFTPLNISD WNSLFWIAHP GGPAILDQVT DATA SEQUENCE AKVGLEKEKL KVTRQVLKDY GNMSSATVFF IMDEMRKKSL ENGQATTGEG DATA SEQUENCE LEWGVLFGFG PGITVETVVL RSVPV 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.511 32.500 0.018 0.000 1.064 9 L N 2.132 123.368 121.223 0.022 0.000 2.439 9 L HA 0.357 4.697 4.340 -0.001 0.000 0.269 9 L C 0.896 177.776 176.870 0.018 0.000 1.179 9 L CA -0.404 54.449 54.840 0.022 0.000 0.828 9 L CB 0.626 42.706 42.059 0.034 0.000 1.106 9 L HN 0.719 nan 8.230 nan 0.000 0.467 10 A N 2.317 125.143 122.820 0.010 0.000 2.511 10 A HA 0.419 4.739 4.320 -0.001 0.000 0.242 10 A C 0.091 177.686 177.584 0.019 0.000 1.069 10 A CA 0.163 52.202 52.037 0.003 0.000 0.763 10 A CB -0.110 18.883 19.000 -0.013 0.000 1.001 10 A HN 0.714 nan 8.150 nan 0.000 0.498 11 T N 1.796 116.361 114.554 0.017 0.000 2.886 11 T HA 0.440 4.789 4.350 -0.001 0.000 0.292 11 T C -0.411 174.305 174.700 0.027 0.000 1.012 11 T CA -0.480 61.642 62.100 0.036 0.000 0.982 11 T CB 1.503 70.390 68.868 0.031 0.000 1.018 11 T HN 0.450 nan 8.240 nan 0.000 0.451 12 V N 4.452 124.407 119.914 0.069 0.000 2.455 12 V HA 0.214 4.333 4.120 -0.001 0.000 0.273 12 V C 0.731 176.847 176.094 0.036 0.000 1.045 12 V CA 0.182 62.517 62.300 0.058 0.000 0.976 12 V CB 0.602 32.523 31.823 0.164 0.000 0.993 12 V HN 0.940 nan 8.190 nan 0.000 0.475 13 M N 3.856 123.449 119.600 -0.011 0.000 2.306 13 M HA 0.556 5.035 4.480 -0.001 0.000 0.292 13 M C 0.208 176.533 176.300 0.041 0.000 1.018 13 M CA 0.198 55.514 55.300 0.028 0.000 1.007 13 M CB 0.961 33.612 32.600 0.084 0.000 1.510 13 M HN 0.679 nan 8.290 nan 0.000 0.537 14 A N 1.298 124.112 122.820 -0.010 0.000 2.590 14 A HA 0.812 5.131 4.320 -0.001 0.000 0.296 14 A C -1.654 175.903 177.584 -0.045 0.000 1.050 14 A CA -0.616 51.420 52.037 -0.002 0.000 0.697 14 A CB 1.396 20.416 19.000 0.032 0.000 1.277 14 A HN 0.251 nan 8.150 nan 0.000 0.411 15 I N 0.769 121.315 120.570 -0.039 0.000 2.607 15 I HA 0.654 4.823 4.170 -0.001 0.000 0.290 15 I C 0.273 176.328 176.117 -0.104 0.000 1.129 15 I CA -0.533 60.720 61.300 -0.078 0.000 1.042 15 I CB 2.682 40.667 38.000 -0.024 0.000 1.242 15 I HN 0.934 nan 8.210 nan 0.000 0.421 16 G N 2.600 111.307 108.800 -0.155 0.000 2.620 16 G HA2 0.796 4.756 3.960 -0.001 0.000 0.301 16 G HA3 0.796 4.756 3.960 -0.001 0.000 0.301 16 G C -0.975 173.773 174.900 -0.253 0.000 1.347 16 G CA -0.522 44.481 45.100 -0.162 0.000 0.971 16 G HN 0.604 nan 8.290 nan 0.000 0.488 17 T N -2.101 112.276 114.554 -0.296 0.000 2.883 17 T HA 0.907 5.256 4.350 -0.001 0.000 0.296 17 T C -0.418 174.177 174.700 -0.177 0.000 1.117 17 T CA -0.367 61.484 62.100 -0.415 0.000 1.006 17 T CB 2.081 70.289 68.868 -1.100 0.000 1.191 17 T HN 2.006 nan 8.240 nan 0.000 0.508 18 A N 1.183 123.984 122.820 -0.032 0.000 2.612 18 A HA 0.854 5.173 4.320 -0.001 0.000 0.293 18 A C -1.499 176.161 177.584 0.127 0.000 1.075 18 A CA -1.097 50.961 52.037 0.036 0.000 0.680 18 A CB 1.325 20.331 19.000 0.011 0.000 1.279 18 A HN 0.954 nan 8.150 nan 0.000 0.411 19 N N 0.182 118.909 118.700 0.046 0.000 2.494 19 N HA 0.683 5.423 4.740 -0.001 0.000 0.270 19 N C -3.144 172.388 175.510 0.036 0.000 1.285 19 N CA -1.189 51.882 53.050 0.035 0.000 0.812 19 N CB 2.019 40.416 38.487 -0.151 0.000 1.557 19 N HN 0.398 nan 8.380 nan 0.000 0.487 20 P HA 0.102 nan 4.420 nan 0.000 0.270 20 P C -1.782 175.625 177.300 0.178 0.000 1.223 20 P CA -0.828 62.377 63.100 0.175 0.000 0.785 20 P CB 0.398 32.245 31.700 0.246 0.000 0.923 21 P HA -0.050 nan 4.420 nan 0.000 0.236 21 P C -0.440 176.967 177.300 0.178 0.000 1.177 21 P CA 0.915 64.100 63.100 0.141 0.000 0.773 21 P CB 0.262 32.015 31.700 0.088 0.000 0.878 22 N N 0.762 119.571 118.700 0.182 0.000 2.401 22 N HA 0.089 4.828 4.740 -0.001 0.000 0.255 22 N C -0.305 175.256 175.510 0.086 0.000 1.110 22 N CA -0.030 53.070 53.050 0.083 0.000 0.949 22 N CB 0.657 39.207 38.487 0.106 0.000 1.110 22 N HN 0.077 nan 8.380 nan 0.000 0.490 23 C N 4.302 123.532 119.300 -0.116 0.000 2.319 23 C HA 0.478 4.937 4.460 -0.001 0.000 0.335 23 C C -0.841 173.877 174.990 -0.454 0.000 1.274 23 C CA -0.600 58.212 59.018 -0.343 0.000 1.806 23 C CB -1.221 26.314 27.740 -0.341 0.000 2.329 23 C HN 0.598 nan 8.230 nan 0.000 0.524 24 Y N 4.760 124.834 120.300 -0.375 0.000 2.328 24 Y HA 0.409 4.959 4.550 -0.001 0.000 0.333 24 Y C -0.189 175.565 175.900 -0.245 0.000 0.958 24 Y CA -0.370 57.610 58.100 -0.200 0.000 1.167 24 Y CB 0.507 38.925 38.460 -0.070 0.000 1.151 24 Y HN 0.645 nan 8.280 nan 0.000 0.470 25 Y N 2.059 122.368 120.300 0.015 0.000 2.402 25 Y HA 0.010 4.560 4.550 -0.001 0.000 0.333 25 Y C 1.665 177.619 175.900 0.089 0.000 1.076 25 Y CA 0.009 58.110 58.100 0.002 0.000 1.299 25 Y CB 1.005 39.457 38.460 -0.013 0.000 1.197 25 Y HN 0.634 nan 8.280 nan 0.000 0.517 26 Q N 3.434 123.313 119.800 0.132 0.000 2.181 26 Q HA -0.203 4.136 4.340 -0.001 0.000 0.205 26 Q C 2.046 178.154 176.000 0.181 0.000 0.980 26 Q CA 1.917 57.789 55.803 0.116 0.000 0.862 26 Q CB -0.156 28.574 28.738 -0.014 0.000 0.905 26 Q HN 0.887 nan 8.270 nan 0.000 0.429 27 A N 0.120 123.040 122.820 0.166 0.000 2.070 27 A HA -0.157 4.162 4.320 -0.001 0.000 0.220 27 A C 1.198 178.878 177.584 0.161 0.000 1.159 27 A CA 1.771 53.884 52.037 0.127 0.000 0.656 27 A CB -0.221 18.831 19.000 0.087 0.000 0.800 27 A HN 0.431 nan 8.150 nan 0.000 0.453 28 D N -2.373 118.165 120.400 0.230 0.000 2.398 28 D HA 0.121 4.760 4.640 -0.001 0.000 0.210 28 D C 1.023 177.538 176.300 0.357 0.000 1.094 28 D CA -0.153 53.992 54.000 0.242 0.000 0.839 28 D CB -0.055 40.865 40.800 0.200 0.000 0.963 28 D HN 0.403 nan 8.370 nan 0.000 0.506 29 F N 2.126 122.240 119.950 0.273 0.000 2.146 29 F HA 0.007 4.534 4.527 -0.001 0.000 0.298 29 F C -0.887 175.251 175.800 0.563 0.000 1.096 29 F CA 0.685 58.930 58.000 0.409 0.000 1.275 29 F CB -0.828 38.350 39.000 0.297 0.000 1.008 29 F HN -0.048 nan 8.300 nan 0.000 0.480 30 P HA -0.165 nan 4.420 nan 0.000 0.215 30 P C 1.205 178.736 177.300 0.385 0.000 1.157 30 P CA 2.032 65.465 63.100 0.556 0.000 0.874 30 P CB -0.018 31.864 31.700 0.304 0.000 0.790 31 D N -1.663 118.894 120.400 0.261 0.000 2.117 31 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 31 D C 1.749 178.174 176.300 0.208 0.000 0.987 31 D CA 0.936 55.055 54.000 0.198 0.000 0.829 31 D CB -0.940 39.955 40.800 0.158 0.000 0.961 31 D HN 0.122 nan 8.370 nan 0.000 0.460 32 F N 0.762 120.763 119.950 0.084 0.000 2.075 32 F HA -0.283 4.244 4.527 -0.001 0.000 0.297 32 F C 2.356 178.151 175.800 -0.008 0.000 1.113 32 F CA 1.250 59.270 58.000 0.033 0.000 1.218 32 F CB -0.658 38.357 39.000 0.025 0.000 0.984 32 F HN -0.074 nan 8.300 nan 0.000 0.472 33 Y N -0.092 120.041 120.300 -0.279 0.000 2.128 33 Y HA -0.267 4.282 4.550 -0.001 0.000 0.284 33 Y C 2.045 177.782 175.900 -0.271 0.000 1.154 33 Y CA 2.003 59.874 58.100 -0.382 0.000 1.149 33 Y CB -1.053 37.184 38.460 -0.371 0.000 0.976 33 Y HN 0.113 nan 8.280 nan 0.000 0.505 34 F N -0.018 119.757 119.950 -0.292 0.000 2.407 34 F HA -0.016 4.510 4.527 -0.001 0.000 0.299 34 F C 2.631 178.274 175.800 -0.262 0.000 1.097 34 F CA 1.417 59.218 58.000 -0.331 0.000 1.422 34 F CB -0.479 38.435 39.000 -0.142 0.000 1.067 34 F HN -0.006 nan 8.300 nan 0.000 0.539 35 R N 0.567 121.016 120.500 -0.084 0.000 2.055 35 R HA -0.090 4.249 4.340 -0.001 0.000 0.226 35 R C 2.233 178.402 176.300 -0.217 0.000 1.135 35 R CA 1.742 57.777 56.100 -0.108 0.000 0.959 35 R CB -0.488 29.770 30.300 -0.069 0.000 0.854 35 R HN 0.215 nan 8.270 nan 0.000 0.431 36 V N -0.709 118.975 119.914 -0.385 0.000 2.913 36 V HA -0.063 4.057 4.120 -0.001 0.000 0.260 36 V C 1.654 177.575 176.094 -0.289 0.000 1.098 36 V CA 1.886 63.965 62.300 -0.369 0.000 1.121 36 V CB -0.620 30.854 31.823 -0.583 0.000 0.714 36 V HN 0.544 nan 8.190 nan 0.000 0.487 37 T N -2.914 111.409 114.554 -0.384 0.000 3.069 37 T HA 0.194 4.544 4.350 -0.001 0.000 0.252 37 T C 0.652 175.181 174.700 -0.285 0.000 1.053 37 T CA 0.209 62.082 62.100 -0.378 0.000 0.964 37 T CB -0.711 67.745 68.868 -0.687 0.000 1.005 37 T HN 0.557 nan 8.240 nan 0.000 0.532 38 N N 1.177 119.753 118.700 -0.207 0.000 2.714 38 N HA -0.133 4.606 4.740 -0.001 0.000 0.253 38 N C -0.119 175.370 175.510 -0.036 0.000 1.024 38 N CA 0.876 53.874 53.050 -0.087 0.000 0.726 38 N CB -1.648 36.806 38.487 -0.055 0.000 0.908 38 N HN 0.503 nan 8.380 nan 0.000 0.542 39 S N -0.869 114.749 115.700 -0.136 0.000 2.730 39 S HA 0.096 4.565 4.470 -0.001 0.000 0.244 39 S C 0.921 175.551 174.600 0.051 0.000 1.022 39 S CA -0.581 57.501 58.200 -0.197 0.000 1.014 39 S CB 0.753 63.532 63.200 -0.700 0.000 0.963 39 S HN 0.221 nan 8.310 nan 0.000 0.540 40 D N 2.260 122.768 120.400 0.181 0.000 2.311 40 D HA -0.140 4.499 4.640 -0.001 0.000 0.212 40 D C 1.710 178.101 176.300 0.152 0.000 0.972 40 D CA 1.023 55.140 54.000 0.196 0.000 0.887 40 D CB -0.136 40.748 40.800 0.139 0.000 0.915 40 D HN 0.682 nan 8.370 nan 0.000 0.497 41 H N -0.311 118.803 119.070 0.073 0.000 2.535 41 H HA 0.055 4.611 4.556 -0.001 0.000 0.273 41 H C 1.010 176.377 175.328 0.065 0.000 0.983 41 H CA 0.032 56.110 56.048 0.049 0.000 1.238 41 H CB -0.499 29.278 29.762 0.024 0.000 1.412 41 H HN 0.100 nan 8.280 nan 0.000 0.562 42 L N 2.229 123.252 121.223 -0.333 0.000 2.423 42 L HA 0.164 4.504 4.340 -0.001 0.000 0.249 42 L C 1.320 178.188 176.870 -0.003 0.000 1.276 42 L CA -0.322 54.419 54.840 -0.164 0.000 1.199 42 L CB 0.012 41.969 42.059 -0.170 0.000 1.407 42 L HN 0.096 nan 8.230 nan 0.000 0.410 43 I N 0.458 121.021 120.570 -0.011 0.000 2.151 43 I HA -0.311 3.859 4.170 -0.001 0.000 0.243 43 I C 1.930 178.028 176.117 -0.032 0.000 1.080 43 I CA 1.313 62.598 61.300 -0.024 0.000 1.339 43 I CB -0.143 37.853 38.000 -0.006 0.000 1.039 43 I HN 0.662 nan 8.210 nan 0.000 0.409 44 N N 0.730 119.426 118.700 -0.006 0.000 2.188 44 N HA -0.140 4.599 4.740 -0.001 0.000 0.184 44 N C 1.826 177.349 175.510 0.022 0.000 1.018 44 N CA 1.034 54.086 53.050 0.002 0.000 0.858 44 N CB -0.435 38.058 38.487 0.011 0.000 0.989 44 N HN 0.219 nan 8.380 nan 0.000 0.426 45 L N 1.803 123.063 121.223 0.061 0.000 2.093 45 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 45 L C 2.189 179.145 176.870 0.143 0.000 1.085 45 L CA 1.652 56.588 54.840 0.160 0.000 0.755 45 L CB -0.425 41.772 42.059 0.229 0.000 0.904 45 L HN 0.041 nan 8.230 nan 0.000 0.435 46 K N -1.073 119.235 120.400 -0.153 0.000 2.097 46 K HA -0.236 4.083 4.320 -0.001 0.000 0.205 46 K C 2.208 178.633 176.600 -0.291 0.000 1.050 46 K CA 1.560 57.379 56.287 -0.780 0.000 0.938 46 K CB -0.155 31.813 32.500 -0.887 0.000 0.718 46 K HN 0.494 nan 8.250 nan 0.000 0.442 47 Q N 0.737 120.457 119.800 -0.133 0.000 2.084 47 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 47 Q C 1.640 177.631 176.000 -0.016 0.000 0.978 47 Q CA 1.622 57.386 55.803 -0.065 0.000 0.844 47 Q CB 0.133 28.847 28.738 -0.040 0.000 0.898 47 Q HN 0.258 nan 8.270 nan 0.000 0.426 48 K N -0.361 120.058 120.400 0.033 0.000 2.057 48 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 48 K C 1.923 178.595 176.600 0.119 0.000 1.049 48 K CA 1.376 57.708 56.287 0.074 0.000 0.931 48 K CB -0.273 32.293 32.500 0.111 0.000 0.714 48 K HN 0.175 nan 8.250 nan 0.000 0.440 49 F N 2.494 122.470 119.950 0.043 0.000 2.146 49 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 49 F C 2.310 178.139 175.800 0.048 0.000 1.096 49 F CA 1.429 59.495 58.000 0.110 0.000 1.275 49 F CB -0.085 39.105 39.000 0.315 0.000 1.008 49 F HN -0.142 nan 8.300 nan 0.000 0.480 50 K N 0.248 120.640 120.400 -0.014 0.000 2.032 50 K HA -0.227 4.092 4.320 -0.001 0.000 0.209 50 K C 2.287 178.810 176.600 -0.128 0.000 1.048 50 K CA 1.808 58.045 56.287 -0.083 0.000 0.927 50 K CB -0.171 32.300 32.500 -0.048 0.000 0.712 50 K HN 0.232 nan 8.250 nan 0.000 0.441 51 R N 0.360 120.804 120.500 -0.092 0.000 2.115 51 R HA -0.053 4.286 4.340 -0.001 0.000 0.230 51 R C 2.429 178.653 176.300 -0.125 0.000 1.111 51 R CA 1.160 57.209 56.100 -0.086 0.000 0.976 51 R CB -0.263 30.006 30.300 -0.051 0.000 0.870 51 R HN 0.238 nan 8.270 nan 0.000 0.445 52 L N -0.230 120.890 121.223 -0.172 0.000 2.046 52 L HA -0.256 4.083 4.340 -0.001 0.000 0.208 52 L C 2.492 179.197 176.870 -0.274 0.000 1.077 52 L CA 1.123 55.839 54.840 -0.207 0.000 0.747 52 L CB -0.454 41.469 42.059 -0.226 0.000 0.896 52 L HN 0.339 nan 8.230 nan 0.000 0.432 53 C N -0.206 118.864 119.300 -0.384 0.000 2.440 53 C HA -0.103 4.356 4.460 -0.001 0.000 0.278 53 C C 2.599 177.488 174.990 -0.168 0.000 1.295 53 C CA 0.453 59.286 59.018 -0.308 0.000 1.738 53 C CB -0.702 26.852 27.740 -0.310 0.000 1.987 53 C HN 0.510 nan 8.230 nan 0.000 0.492 54 E N 0.981 121.102 120.200 -0.132 0.000 2.150 54 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 54 E C 1.370 177.922 176.600 -0.079 0.000 0.985 54 E CA 0.800 57.151 56.400 -0.082 0.000 0.814 54 E CB -0.181 29.482 29.700 -0.062 0.000 0.752 54 E HN 0.637 nan 8.360 nan 0.000 0.466 55 N N 0.387 119.030 118.700 -0.094 0.000 2.353 55 N HA -0.042 4.698 4.740 -0.001 0.000 0.185 55 N C 1.658 177.113 175.510 -0.092 0.000 1.098 55 N CA 0.601 53.602 53.050 -0.082 0.000 0.872 55 N CB 0.369 38.810 38.487 -0.076 0.000 0.970 55 N HN 0.091 nan 8.380 nan 0.000 0.467 56 S N 0.928 116.559 115.700 -0.116 0.000 2.419 56 S HA -0.072 4.398 4.470 -0.001 0.000 0.233 56 S C 0.871 175.409 174.600 -0.103 0.000 1.016 56 S CA 0.370 58.494 58.200 -0.127 0.000 0.974 56 S CB 0.066 63.164 63.200 -0.169 0.000 0.786 56 S HN 0.113 nan 8.310 nan 0.000 0.492 57 R N -0.103 120.347 120.500 -0.084 0.000 3.776 57 R HA -0.071 4.268 4.340 -0.001 0.000 0.312 57 R C -0.904 175.356 176.300 -0.068 0.000 1.181 57 R CA 0.768 56.830 56.100 -0.064 0.000 0.836 57 R CB -2.730 27.536 30.300 -0.055 0.000 1.324 57 R HN 0.608 nan 8.270 nan 0.000 0.501 58 I N 0.159 120.677 120.570 -0.087 0.000 2.378 58 I HA 0.132 4.301 4.170 -0.001 0.000 0.291 58 I C 1.645 177.708 176.117 -0.089 0.000 0.992 58 I CA -0.267 60.973 61.300 -0.100 0.000 1.154 58 I CB 1.876 39.791 38.000 -0.142 0.000 1.315 58 I HN 0.065 nan 8.210 nan 0.000 0.448 59 E N 6.169 126.315 120.200 -0.089 0.000 2.251 59 E HA 0.068 4.417 4.350 -0.001 0.000 0.194 59 E C -0.078 176.441 176.600 -0.134 0.000 0.964 59 E CA 0.465 56.828 56.400 -0.061 0.000 0.868 59 E CB 0.631 30.312 29.700 -0.032 0.000 0.828 59 E HN 0.648 nan 8.360 nan 0.000 0.481 60 K N -0.897 119.350 120.400 -0.254 0.000 2.575 60 K HA 0.537 4.856 4.320 -0.001 0.000 0.279 60 K C -1.190 175.159 176.600 -0.419 0.000 0.969 60 K CA -0.958 55.067 56.287 -0.436 0.000 0.868 60 K CB 2.007 34.069 32.500 -0.729 0.000 1.457 60 K HN -0.166 nan 8.250 nan 0.000 0.426 61 R N 0.763 120.981 120.500 -0.470 0.000 2.774 61 R HA 0.390 4.729 4.340 -0.001 0.000 0.272 61 R C -1.548 174.481 176.300 -0.452 0.000 1.000 61 R CA -0.963 54.930 56.100 -0.346 0.000 0.906 61 R CB 1.762 31.924 30.300 -0.229 0.000 1.227 61 R HN 0.554 nan 8.270 nan 0.000 0.468 62 Y N 1.632 121.962 120.300 0.050 0.000 2.335 62 Y HA 0.519 5.068 4.550 -0.001 0.000 0.338 62 Y C -0.223 175.757 175.900 0.132 0.000 0.977 62 Y CA -0.629 57.541 58.100 0.117 0.000 1.114 62 Y CB 1.372 39.903 38.460 0.117 0.000 1.182 62 Y HN 0.151 nan 8.280 nan 0.000 0.463 63 L N 2.193 123.601 121.223 0.307 0.000 2.388 63 L HA 0.375 4.715 4.340 -0.001 0.000 0.264 63 L C 0.590 177.610 176.870 0.250 0.000 0.998 63 L CA -0.995 53.971 54.840 0.210 0.000 0.817 63 L CB 2.078 44.139 42.059 0.003 0.000 1.338 63 L HN 0.691 nan 8.230 nan 0.000 0.414 64 H N 1.071 120.210 119.070 0.115 0.000 2.403 64 H HA 0.104 4.659 4.556 -0.001 0.000 0.298 64 H C 0.401 175.773 175.328 0.074 0.000 1.059 64 H CA 0.610 56.715 56.048 0.094 0.000 1.363 64 H CB 0.413 30.210 29.762 0.059 0.000 1.410 64 H HN 0.245 nan 8.280 nan 0.000 0.528 65 V N 2.398 122.295 119.914 -0.028 0.000 2.694 65 V HA 0.119 4.238 4.120 -0.001 0.000 0.306 65 V C 0.730 176.805 176.094 -0.032 0.000 1.054 65 V CA 0.999 63.203 62.300 -0.159 0.000 1.161 65 V CB 0.745 32.315 31.823 -0.422 0.000 0.916 65 V HN 0.729 nan 8.190 nan 0.000 0.490 66 T N 0.079 114.625 114.554 -0.013 0.000 2.883 66 T HA 0.398 4.747 4.350 -0.001 0.000 0.296 66 T C 0.665 175.474 174.700 0.182 0.000 1.117 66 T CA -0.473 61.719 62.100 0.154 0.000 1.006 66 T CB 1.890 70.788 68.868 0.049 0.000 1.191 66 T HN 0.634 nan 8.240 nan 0.000 0.508 67 E N 0.136 120.523 120.200 0.312 0.000 2.118 67 E HA -0.213 4.137 4.350 -0.001 0.000 0.195 67 E C 1.404 178.057 176.600 0.087 0.000 0.992 67 E CA 1.561 58.095 56.400 0.223 0.000 0.804 67 E CB 0.014 29.882 29.700 0.280 0.000 0.741 67 E HN 0.710 nan 8.360 nan 0.000 0.458 68 E N 0.620 120.864 120.200 0.074 0.000 2.051 68 E HA -0.159 4.190 4.350 -0.001 0.000 0.192 68 E C 2.017 178.628 176.600 0.017 0.000 0.991 68 E CA 1.074 57.496 56.400 0.036 0.000 0.799 68 E CB -0.205 29.512 29.700 0.028 0.000 0.748 68 E HN 0.380 nan 8.360 nan 0.000 0.449 69 I N 0.325 120.897 120.570 0.004 0.000 2.286 69 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 69 I C 2.076 178.189 176.117 -0.006 0.000 1.115 69 I CA 0.936 62.231 61.300 -0.008 0.000 1.392 69 I CB -0.216 37.759 38.000 -0.042 0.000 1.065 69 I HN 0.100 nan 8.210 nan 0.000 0.418 70 L N 0.272 121.484 121.223 -0.017 0.000 2.093 70 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 70 L C 2.520 179.385 176.870 -0.008 0.000 1.085 70 L CA 1.373 56.202 54.840 -0.019 0.000 0.755 70 L CB -0.542 41.492 42.059 -0.040 0.000 0.904 70 L HN 0.177 nan 8.230 nan 0.000 0.435 71 K N 0.066 120.463 120.400 -0.005 0.000 2.057 71 K HA -0.225 4.094 4.320 -0.001 0.000 0.207 71 K C 2.008 178.609 176.600 0.002 0.000 1.049 71 K CA 1.425 57.710 56.287 -0.004 0.000 0.931 71 K CB -0.073 32.428 32.500 0.002 0.000 0.714 71 K HN 0.252 nan 8.250 nan 0.000 0.440 72 E N 0.524 120.729 120.200 0.008 0.000 2.358 72 E HA -0.066 4.283 4.350 -0.001 0.000 0.195 72 E C -0.261 176.348 176.600 0.015 0.000 1.010 72 E CA 0.455 56.862 56.400 0.012 0.000 0.856 72 E CB 0.361 30.071 29.700 0.016 0.000 0.795 72 E HN 0.195 nan 8.360 nan 0.000 0.504 73 N N 0.665 119.374 118.700 0.015 0.000 2.791 73 N HA 0.126 4.865 4.740 -0.001 0.000 0.265 73 N C -2.393 173.130 175.510 0.021 0.000 1.580 73 N CA -1.041 52.022 53.050 0.022 0.000 0.809 73 N CB 1.580 40.086 38.487 0.032 0.000 1.178 73 N HN 0.039 nan 8.380 nan 0.000 0.499 74 P HA -0.150 nan 4.420 nan 0.000 0.217 74 P C 1.206 178.517 177.300 0.018 0.000 1.148 74 P CA 1.225 64.331 63.100 0.009 0.000 0.828 74 P CB 0.240 31.941 31.700 0.002 0.000 0.783 75 N N -0.413 118.300 118.700 0.021 0.000 2.520 75 N HA -0.103 4.636 4.740 -0.001 0.000 0.185 75 N C 1.429 176.962 175.510 0.038 0.000 1.068 75 N CA 1.072 54.135 53.050 0.022 0.000 0.911 75 N CB -1.063 37.434 38.487 0.018 0.000 0.961 75 N HN 0.264 nan 8.380 nan 0.000 0.446 76 I N 0.214 120.820 120.570 0.059 0.000 2.731 76 I HA 0.071 4.241 4.170 -0.001 0.000 0.260 76 I C 2.301 178.512 176.117 0.157 0.000 1.138 76 I CA 0.532 61.895 61.300 0.105 0.000 1.461 76 I CB -0.152 37.912 38.000 0.107 0.000 1.128 76 I HN 0.111 nan 8.210 nan 0.000 0.438 77 A N 1.242 124.131 122.820 0.115 0.000 2.015 77 A HA 0.170 4.489 4.320 -0.001 0.000 0.219 77 A C 1.548 179.162 177.584 0.049 0.000 1.163 77 A CA 0.828 52.934 52.037 0.116 0.000 0.646 77 A CB -0.567 18.452 19.000 0.031 0.000 0.806 77 A HN 0.325 nan 8.150 nan 0.000 0.448 78 A N -1.543 121.299 122.820 0.036 0.000 2.445 78 A HA 0.362 4.681 4.320 -0.001 0.000 0.242 78 A C 0.795 178.409 177.584 0.049 0.000 1.075 78 A CA 0.156 52.210 52.037 0.028 0.000 0.777 78 A CB -0.144 18.868 19.000 0.020 0.000 1.013 78 A HN 0.670 nan 8.150 nan 0.000 0.493 79 Y N 0.731 121.005 120.300 -0.043 0.000 2.181 79 Y HA -0.023 4.526 4.550 -0.001 0.000 0.288 79 Y C 0.834 176.726 175.900 -0.014 0.000 1.146 79 Y CA 2.265 60.344 58.100 -0.035 0.000 1.164 79 Y CB 0.215 38.651 38.460 -0.041 0.000 0.982 79 Y HN 0.666 nan 8.280 nan 0.000 0.515 80 E N 0.475 120.554 120.200 -0.201 0.000 2.409 80 E HA 0.597 4.947 4.350 -0.001 0.000 0.259 80 E C -1.734 174.815 176.600 -0.085 0.000 0.932 80 E CA -0.392 55.847 56.400 -0.268 0.000 0.809 80 E CB 0.878 30.403 29.700 -0.291 0.000 1.341 80 E HN 0.305 nan 8.360 nan 0.000 0.405 81 A N 2.667 125.445 122.820 -0.070 0.000 2.547 81 A HA 0.493 4.812 4.320 -0.001 0.000 0.297 81 A C -0.374 177.196 177.584 -0.024 0.000 1.056 81 A CA -0.762 51.258 52.037 -0.028 0.000 0.688 81 A CB 1.618 20.614 19.000 -0.007 0.000 1.282 81 A HN 0.380 nan 8.150 nan 0.000 0.400 82 T N 2.514 117.059 114.554 -0.015 0.000 2.778 82 T HA 0.337 4.687 4.350 -0.001 0.000 0.282 82 T C 1.057 175.758 174.700 0.001 0.000 0.983 82 T CA 1.344 63.438 62.100 -0.009 0.000 1.193 82 T CB -0.204 68.660 68.868 -0.007 0.000 0.938 82 T HN 1.461 nan 8.240 nan 0.000 0.523 83 S N 1.629 117.333 115.700 0.007 0.000 2.857 83 S HA 0.044 4.514 4.470 -0.001 0.000 0.238 83 S C 1.045 175.667 174.600 0.037 0.000 0.875 83 S CA -0.507 57.707 58.200 0.024 0.000 1.368 83 S CB -0.453 62.765 63.200 0.031 0.000 1.238 83 S HN 0.392 nan 8.310 nan 0.000 0.635 84 L N 3.069 124.309 121.223 0.028 0.000 2.042 84 L HA 0.044 4.383 4.340 -0.001 0.000 0.210 84 L C 1.856 178.762 176.870 0.060 0.000 1.076 84 L CA 2.157 57.023 54.840 0.043 0.000 0.749 84 L CB -1.042 41.029 42.059 0.020 0.000 0.893 84 L HN 0.290 nan 8.230 nan 0.000 0.432 85 N N -0.183 118.534 118.700 0.028 0.000 2.069 85 N HA -0.172 4.567 4.740 -0.001 0.000 0.191 85 N C 1.919 177.476 175.510 0.077 0.000 1.031 85 N CA 2.138 55.204 53.050 0.027 0.000 0.852 85 N CB -0.821 37.666 38.487 0.000 0.000 1.018 85 N HN 0.522 nan 8.380 nan 0.000 0.423 86 V N -0.968 118.985 119.914 0.066 0.000 2.453 86 V HA -0.040 4.080 4.120 -0.001 0.000 0.247 86 V C 2.138 178.285 176.094 0.089 0.000 1.048 86 V CA 1.187 63.531 62.300 0.073 0.000 1.049 86 V CB -0.554 31.303 31.823 0.057 0.000 0.672 86 V HN 0.092 nan 8.190 nan 0.000 0.457 87 R N -0.449 120.107 120.500 0.093 0.000 2.066 87 R HA -0.116 4.223 4.340 -0.001 0.000 0.232 87 R C 2.585 178.938 176.300 0.089 0.000 1.131 87 R CA 1.646 57.801 56.100 0.092 0.000 0.955 87 R CB -0.778 29.578 30.300 0.094 0.000 0.851 87 R HN 0.705 nan 8.270 nan 0.000 0.432 88 H N 1.595 120.675 119.070 0.017 0.000 2.352 88 H HA -0.123 4.432 4.556 -0.001 0.000 0.299 88 H C 1.893 177.221 175.328 -0.000 0.000 1.097 88 H CA 1.823 57.872 56.048 0.003 0.000 1.311 88 H CB 0.132 29.892 29.762 -0.004 0.000 1.377 88 H HN 0.080 nan 8.280 nan 0.000 0.504 89 K N 0.082 120.578 120.400 0.159 0.000 2.032 89 K HA -0.155 4.165 4.320 -0.001 0.000 0.209 89 K C 2.529 179.117 176.600 -0.020 0.000 1.048 89 K CA 1.967 58.309 56.287 0.092 0.000 0.927 89 K CB 0.003 32.564 32.500 0.102 0.000 0.712 89 K HN 0.294 nan 8.250 nan 0.000 0.441 90 M N -0.067 119.524 119.600 -0.014 0.000 2.200 90 M HA -0.142 4.337 4.480 -0.001 0.000 0.265 90 M C 2.361 178.554 176.300 -0.179 0.000 1.066 90 M CA 1.315 56.573 55.300 -0.070 0.000 1.127 90 M CB -0.155 32.455 32.600 0.016 0.000 1.379 90 M HN 0.157 nan 8.290 nan 0.000 0.420 91 Q N 0.788 120.498 119.800 -0.151 0.000 2.061 91 Q HA -0.129 4.210 4.340 -0.001 0.000 0.204 91 Q C 1.836 177.723 176.000 -0.188 0.000 0.984 91 Q CA 1.912 57.616 55.803 -0.165 0.000 0.846 91 Q CB -0.398 28.260 28.738 -0.134 0.000 0.902 91 Q HN 0.340 nan 8.270 nan 0.000 0.421 92 V N 0.970 120.723 119.914 -0.267 0.000 2.343 92 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 92 V C 2.153 178.182 176.094 -0.110 0.000 1.051 92 V CA 2.078 64.251 62.300 -0.212 0.000 1.036 92 V CB -0.569 31.075 31.823 -0.299 0.000 0.654 92 V HN 0.320 nan 8.190 nan 0.000 0.451 93 K N 0.680 121.014 120.400 -0.109 0.000 2.062 93 K HA -0.016 4.303 4.320 -0.001 0.000 0.205 93 K C 2.274 178.821 176.600 -0.089 0.000 1.051 93 K CA 1.451 57.695 56.287 -0.072 0.000 0.941 93 K CB -1.152 31.315 32.500 -0.056 0.000 0.719 93 K HN 0.501 nan 8.250 nan 0.000 0.440 94 G N 1.987 110.692 108.800 -0.158 0.000 2.421 94 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.216 94 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.216 94 G C 1.745 176.594 174.900 -0.084 0.000 1.171 94 G CA 1.588 46.586 45.100 -0.169 0.000 0.775 94 G HN 0.211 nan 8.290 nan 0.000 0.543 95 V N -0.483 119.387 119.914 -0.072 0.000 2.332 95 V HA -0.006 4.113 4.120 -0.001 0.000 0.248 95 V C 2.956 179.036 176.094 -0.023 0.000 1.055 95 V CA 2.077 64.356 62.300 -0.035 0.000 1.038 95 V CB -1.230 30.582 31.823 -0.017 0.000 0.651 95 V HN 0.422 nan 8.190 nan 0.000 0.450 96 A N 0.137 122.943 122.820 -0.024 0.000 1.877 96 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 96 A C 2.211 179.784 177.584 -0.019 0.000 1.186 96 A CA 1.730 53.756 52.037 -0.017 0.000 0.620 96 A CB -0.592 18.402 19.000 -0.010 0.000 0.822 96 A HN 0.575 nan 8.150 nan 0.000 0.443 97 E N 0.172 120.361 120.200 -0.018 0.000 2.031 97 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 97 E C 2.111 178.709 176.600 -0.004 0.000 0.994 97 E CA 1.012 57.407 56.400 -0.009 0.000 0.800 97 E CB -0.568 29.131 29.700 -0.002 0.000 0.752 97 E HN 0.651 nan 8.360 nan 0.000 0.447 98 L N 0.277 121.500 121.223 -0.001 0.000 2.046 98 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 98 L C 2.488 179.357 176.870 -0.002 0.000 1.077 98 L CA 1.293 56.139 54.840 0.010 0.000 0.747 98 L CB -0.757 41.317 42.059 0.025 0.000 0.896 98 L HN 0.209 nan 8.230 nan 0.000 0.432 99 G N -0.129 108.664 108.800 -0.012 0.000 2.418 99 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.217 99 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.217 99 G C 1.667 176.548 174.900 -0.033 0.000 1.158 99 G CA 0.881 45.966 45.100 -0.026 0.000 0.771 99 G HN 0.289 nan 8.290 nan 0.000 0.545 100 K N 0.554 120.938 120.400 -0.027 0.000 2.057 100 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 100 K C 2.338 178.924 176.600 -0.025 0.000 1.049 100 K CA 1.694 57.965 56.287 -0.027 0.000 0.931 100 K CB -0.244 32.242 32.500 -0.022 0.000 0.714 100 K HN 0.470 nan 8.250 nan 0.000 0.440 101 E N -0.043 120.146 120.200 -0.019 0.000 2.051 101 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 101 E C 1.810 178.391 176.600 -0.033 0.000 0.991 101 E CA 1.187 57.576 56.400 -0.019 0.000 0.799 101 E CB -0.185 29.509 29.700 -0.010 0.000 0.748 101 E HN 0.423 nan 8.360 nan 0.000 0.449 102 A N 1.230 124.025 122.820 -0.042 0.000 1.902 102 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 102 A C 2.416 179.955 177.584 -0.076 0.000 1.181 102 A CA 1.880 53.874 52.037 -0.072 0.000 0.623 102 A CB -0.817 18.134 19.000 -0.082 0.000 0.818 102 A HN 0.439 nan 8.150 nan 0.000 0.443 103 A N -0.279 122.503 122.820 -0.064 0.000 1.902 103 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 103 A C 2.156 179.721 177.584 -0.031 0.000 1.181 103 A CA 1.489 53.490 52.037 -0.060 0.000 0.623 103 A CB -0.596 18.372 19.000 -0.054 0.000 0.818 103 A HN 0.476 nan 8.150 nan 0.000 0.443 104 L N -0.875 120.335 121.223 -0.021 0.000 2.083 104 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 104 L C 2.554 179.424 176.870 -0.000 0.000 1.083 104 L CA 1.619 56.457 54.840 -0.003 0.000 0.752 104 L CB -0.377 41.678 42.059 -0.007 0.000 0.899 104 L HN 0.372 nan 8.230 nan 0.000 0.433 105 K N -0.075 120.313 120.400 -0.020 0.000 2.057 105 K HA -0.089 4.230 4.320 -0.001 0.000 0.206 105 K C 2.260 178.852 176.600 -0.012 0.000 1.050 105 K CA 1.220 57.494 56.287 -0.022 0.000 0.935 105 K CB -0.212 32.260 32.500 -0.047 0.000 0.715 105 K HN 0.257 nan 8.250 nan 0.000 0.439 106 A N 1.513 124.316 122.820 -0.028 0.000 1.898 106 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 106 A C 2.119 179.744 177.584 0.068 0.000 1.181 106 A CA 1.232 53.256 52.037 -0.022 0.000 0.620 106 A CB -0.585 18.363 19.000 -0.088 0.000 0.819 106 A HN 0.162 nan 8.150 nan 0.000 0.442 107 I N -0.419 120.207 120.570 0.093 0.000 2.286 107 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 107 I C 2.536 178.767 176.117 0.191 0.000 1.115 107 I CA 1.827 63.266 61.300 0.231 0.000 1.392 107 I CB -0.227 37.880 38.000 0.179 0.000 1.065 107 I HN 0.397 nan 8.210 nan 0.000 0.418 108 K N 1.163 121.618 120.400 0.091 0.000 2.026 108 K HA -0.267 4.052 4.320 -0.001 0.000 0.208 108 K C 2.140 178.775 176.600 0.059 0.000 1.048 108 K CA 1.841 58.158 56.287 0.050 0.000 0.929 108 K CB -0.126 32.386 32.500 0.020 0.000 0.713 108 K HN 0.285 nan 8.250 nan 0.000 0.439 109 E N -0.344 119.900 120.200 0.074 0.000 2.077 109 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 109 E C 1.778 178.463 176.600 0.142 0.000 0.989 109 E CA 1.171 57.615 56.400 0.073 0.000 0.800 109 E CB -0.262 29.469 29.700 0.051 0.000 0.746 109 E HN 0.471 nan 8.360 nan 0.000 0.452 110 W N 0.832 122.111 121.300 -0.035 0.000 2.318 110 W HA -0.202 4.458 4.660 -0.001 0.000 0.313 110 W C 1.541 178.044 176.519 -0.027 0.000 1.221 110 W CA 2.904 60.231 57.345 -0.031 0.000 1.266 110 W CB -0.677 28.765 29.460 -0.030 0.000 1.150 110 W HN 0.323 nan 8.180 nan 0.000 0.496 111 G N -0.848 107.898 108.800 -0.090 0.000 2.176 111 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.232 111 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.232 111 G C 0.301 174.906 174.900 -0.492 0.000 0.986 111 G CA 0.274 45.222 45.100 -0.252 0.000 0.643 111 G HN 0.421 nan 8.290 nan 0.000 0.522 112 Q N 0.606 119.825 119.800 -0.968 0.000 2.301 112 Q HA 0.500 4.840 4.340 -0.001 0.000 0.267 112 Q C -2.474 173.112 176.000 -0.691 0.000 1.035 112 Q CA -1.750 53.426 55.803 -1.046 0.000 0.856 112 Q CB 2.467 30.095 28.738 -1.849 0.000 1.337 112 Q HN 0.296 nan 8.270 nan 0.000 0.450 113 P HA 0.012 nan 4.420 nan 0.000 0.271 113 P C 0.192 177.459 177.300 -0.054 0.000 1.218 113 P CA 0.011 63.009 63.100 -0.170 0.000 0.780 113 P CB 0.785 32.413 31.700 -0.119 0.000 0.901 114 K N 0.784 121.221 120.400 0.062 0.000 2.281 114 K HA -0.117 4.202 4.320 -0.001 0.000 0.203 114 K C 1.483 178.165 176.600 0.135 0.000 1.046 114 K CA 1.753 58.144 56.287 0.172 0.000 0.938 114 K CB -0.744 31.818 32.500 0.104 0.000 0.737 114 K HN 0.398 nan 8.250 nan 0.000 0.458 115 S N 1.168 116.906 115.700 0.064 0.000 2.469 115 S HA -0.063 4.406 4.470 -0.001 0.000 0.238 115 S C 1.497 176.143 174.600 0.077 0.000 0.998 115 S CA 0.677 58.904 58.200 0.045 0.000 0.957 115 S CB -0.106 63.100 63.200 0.010 0.000 0.764 115 S HN 0.388 nan 8.310 nan 0.000 0.514 116 K N 0.447 120.927 120.400 0.134 0.000 2.444 116 K HA 0.309 4.628 4.320 -0.001 0.000 0.193 116 K C -0.070 176.719 176.600 0.315 0.000 1.024 116 K CA -0.014 56.394 56.287 0.201 0.000 1.077 116 K CB -0.040 32.557 32.500 0.163 0.000 0.833 116 K HN 0.472 nan 8.250 nan 0.000 0.517 117 I N 2.023 122.757 120.570 0.274 0.000 2.471 117 I HA -0.072 4.097 4.170 -0.001 0.000 0.286 117 I C 1.540 177.701 176.117 0.073 0.000 1.079 117 I CA 0.143 61.528 61.300 0.141 0.000 1.398 117 I CB 1.299 39.338 38.000 0.065 0.000 1.403 117 I HN 0.153 nan 8.210 nan 0.000 0.530 118 T N 0.972 115.574 114.554 0.080 0.000 3.015 118 T HA 0.176 4.525 4.350 -0.001 0.000 0.250 118 T C 0.385 174.978 174.700 -0.179 0.000 1.057 118 T CA 0.218 62.317 62.100 -0.001 0.000 1.066 118 T CB 0.033 68.964 68.868 0.104 0.000 0.959 118 T HN 0.551 nan 8.240 nan 0.000 0.488 119 H N -0.216 118.839 119.070 -0.026 0.000 2.895 119 H HA 0.767 5.323 4.556 -0.001 0.000 0.373 119 H C -1.663 173.643 175.328 -0.036 0.000 1.174 119 H CA -0.996 55.038 56.048 -0.024 0.000 1.144 119 H CB 2.033 31.811 29.762 0.026 0.000 1.793 119 H HN 0.156 nan 8.280 nan 0.000 0.551 120 L N 2.667 123.944 121.223 0.089 0.000 2.438 120 L HA 0.575 4.914 4.340 -0.001 0.000 0.270 120 L C -1.695 175.224 176.870 0.082 0.000 0.972 120 L CA -0.265 54.596 54.840 0.035 0.000 0.831 120 L CB 1.066 43.111 42.059 -0.023 0.000 1.273 120 L HN 0.642 nan 8.230 nan 0.000 0.405 121 I N 5.757 126.380 120.570 0.088 0.000 2.389 121 I HA 0.543 4.712 4.170 -0.001 0.000 0.288 121 I C -0.866 175.295 176.117 0.074 0.000 0.999 121 I CA -0.838 60.556 61.300 0.156 0.000 1.129 121 I CB 1.914 40.029 38.000 0.191 0.000 1.288 121 I HN 0.272 nan 8.210 nan 0.000 0.444 122 V N 5.484 125.435 119.914 0.062 0.000 2.604 122 V HA 0.393 4.512 4.120 -0.001 0.000 0.305 122 V C -0.690 175.414 176.094 0.017 0.000 1.043 122 V CA -0.593 61.703 62.300 -0.007 0.000 0.888 122 V CB 2.054 33.834 31.823 -0.070 0.000 0.995 122 V HN 0.870 nan 8.190 nan 0.000 0.429 123 C N 5.888 125.186 119.300 -0.003 0.000 2.397 123 C HA 0.799 5.258 4.460 -0.001 0.000 0.325 123 C C -0.353 174.599 174.990 -0.064 0.000 1.201 123 C CA -0.393 58.625 59.018 0.001 0.000 1.377 123 C CB -0.572 27.180 27.740 0.020 0.000 2.038 123 C HN 0.986 nan 8.230 nan 0.000 0.457 124 C N 6.000 125.236 119.300 -0.106 0.000 2.482 124 C HA 0.350 4.809 4.460 -0.001 0.000 0.317 124 C C 1.239 176.188 174.990 -0.068 0.000 1.197 124 C CA -0.669 58.312 59.018 -0.063 0.000 1.432 124 C CB 1.070 28.811 27.740 0.001 0.000 2.062 124 C HN 1.063 nan 8.230 nan 0.000 0.471 125 L N 3.194 124.340 121.223 -0.128 0.000 2.042 125 L HA 0.134 4.473 4.340 -0.001 0.000 0.210 125 L C 0.882 177.490 176.870 -0.436 0.000 1.076 125 L CA 2.537 57.246 54.840 -0.219 0.000 0.749 125 L CB -0.207 41.723 42.059 -0.215 0.000 0.893 125 L HN 0.906 nan 8.230 nan 0.000 0.432 126 A N -3.054 119.583 122.820 -0.305 0.000 2.602 126 A HA 0.653 4.972 4.320 -0.001 0.000 0.290 126 A C 0.333 177.863 177.584 -0.089 0.000 1.114 126 A CA -0.110 51.701 52.037 -0.376 0.000 0.683 126 A CB 0.786 19.679 19.000 -0.179 0.000 1.281 126 A HN 0.826 nan 8.150 nan 0.000 0.416 127 G N -0.908 107.833 108.800 -0.098 0.000 2.157 127 G HA2 0.153 4.113 3.960 -0.001 0.000 0.118 127 G HA3 0.153 4.113 3.960 -0.001 0.000 0.118 127 G C -0.014 174.689 174.900 -0.327 0.000 1.032 127 G CA -0.179 44.837 45.100 -0.141 0.000 0.697 127 G HN 1.547 nan 8.290 nan 0.000 0.495 128 V N 0.646 120.252 119.914 -0.512 0.000 2.681 128 V HA 0.369 4.488 4.120 -0.001 0.000 0.306 128 V C 0.486 176.431 176.094 -0.248 0.000 1.077 128 V CA 1.453 63.254 62.300 -0.831 0.000 1.224 128 V CB 1.324 32.929 31.823 -0.364 0.000 0.879 128 V HN 0.565 nan 8.190 nan 0.000 0.494 129 D N 4.194 124.462 120.400 -0.220 0.000 2.706 129 D HA 0.539 5.178 4.640 -0.001 0.000 0.225 129 D C -0.993 175.346 176.300 0.064 0.000 1.241 129 D CA -0.572 53.455 54.000 0.044 0.000 0.784 129 D CB 1.453 42.329 40.800 0.127 0.000 1.521 129 D HN 0.403 nan 8.370 nan 0.000 0.461 130 M N 3.025 122.645 119.600 0.034 0.000 2.106 130 M HA 0.406 4.885 4.480 -0.001 0.000 0.288 130 M C -2.182 174.086 176.300 -0.054 0.000 0.941 130 M CA -1.496 53.807 55.300 0.006 0.000 0.934 130 M CB 1.742 34.337 32.600 -0.007 0.000 1.551 130 M HN 0.214 nan 8.290 nan 0.000 0.437 131 P HA 0.354 nan 4.420 nan 0.000 0.272 131 P C -0.030 177.311 177.300 0.068 0.000 1.230 131 P CA -0.185 62.849 63.100 -0.110 0.000 0.788 131 P CB 0.796 32.218 31.700 -0.463 0.000 0.949 132 G N -0.438 108.462 108.800 0.167 0.000 2.543 132 G HA2 0.394 4.354 3.960 -0.001 0.000 0.267 132 G HA3 0.394 4.354 3.960 -0.001 0.000 0.267 132 G C 0.992 176.036 174.900 0.239 0.000 1.406 132 G CA -0.055 45.215 45.100 0.284 0.000 1.048 132 G HN 0.527 nan 8.290 nan 0.000 0.548 133 A N -0.270 122.675 122.820 0.208 0.000 2.019 133 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 133 A C 1.989 179.595 177.584 0.037 0.000 1.164 133 A CA 2.242 54.336 52.037 0.096 0.000 0.644 133 A CB -0.559 18.466 19.000 0.041 0.000 0.805 133 A HN 0.685 nan 8.150 nan 0.000 0.449 134 D N -1.276 119.134 120.400 0.018 0.000 2.117 134 D HA -0.245 4.394 4.640 -0.001 0.000 0.198 134 D C 1.825 178.141 176.300 0.027 0.000 0.982 134 D CA 1.609 55.606 54.000 -0.004 0.000 0.828 134 D CB -0.826 39.956 40.800 -0.030 0.000 0.967 134 D HN 0.567 nan 8.370 nan 0.000 0.464 135 Y N 1.442 121.726 120.300 -0.026 0.000 2.163 135 Y HA -0.175 4.374 4.550 -0.001 0.000 0.288 135 Y C 2.528 178.421 175.900 -0.012 0.000 1.136 135 Y CA 1.808 59.896 58.100 -0.020 0.000 1.147 135 Y CB -0.222 38.234 38.460 -0.006 0.000 0.987 135 Y HN -0.171 nan 8.280 nan 0.000 0.509 136 Q N 0.439 120.244 119.800 0.008 0.000 2.061 136 Q HA -0.191 4.148 4.340 -0.001 0.000 0.204 136 Q C 2.445 178.364 176.000 -0.135 0.000 0.984 136 Q CA 1.982 57.740 55.803 -0.074 0.000 0.846 136 Q CB -0.611 28.159 28.738 0.054 0.000 0.902 136 Q HN 0.572 nan 8.270 nan 0.000 0.421 137 L N 0.131 121.301 121.223 -0.088 0.000 2.141 137 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 137 L C 2.404 179.205 176.870 -0.115 0.000 1.094 137 L CA 1.114 55.904 54.840 -0.084 0.000 0.763 137 L CB -0.521 41.502 42.059 -0.059 0.000 0.908 137 L HN 0.197 nan 8.230 nan 0.000 0.437 138 T N -0.706 113.755 114.554 -0.156 0.000 2.788 138 T HA -0.140 4.210 4.350 -0.001 0.000 0.268 138 T C 1.961 176.545 174.700 -0.194 0.000 1.044 138 T CA 1.018 63.021 62.100 -0.163 0.000 1.139 138 T CB 0.010 68.773 68.868 -0.176 0.000 0.867 138 T HN 0.146 nan 8.240 nan 0.000 0.454 139 K N 1.021 121.245 120.400 -0.293 0.000 2.062 139 K HA 0.183 4.503 4.320 -0.001 0.000 0.205 139 K C 2.303 178.818 176.600 -0.143 0.000 1.051 139 K CA 0.711 56.846 56.287 -0.253 0.000 0.941 139 K CB -0.728 31.556 32.500 -0.360 0.000 0.719 139 K HN 0.341 nan 8.250 nan 0.000 0.440 140 L N 0.659 121.808 121.223 -0.123 0.000 2.083 140 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 140 L C 2.131 178.967 176.870 -0.057 0.000 1.083 140 L CA 1.006 55.803 54.840 -0.073 0.000 0.752 140 L CB -0.283 41.741 42.059 -0.058 0.000 0.899 140 L HN 0.065 nan 8.230 nan 0.000 0.433 141 L N -1.046 120.140 121.223 -0.062 0.000 2.592 141 L HA 0.029 4.369 4.340 -0.001 0.000 0.227 141 L C 0.303 177.150 176.870 -0.039 0.000 1.127 141 L CA -0.112 54.703 54.840 -0.042 0.000 0.884 141 L CB -0.239 41.798 42.059 -0.036 0.000 1.065 141 L HN 0.223 nan 8.230 nan 0.000 0.457 142 D N 1.031 121.397 120.400 -0.056 0.000 2.697 142 D HA -0.193 4.447 4.640 -0.001 0.000 0.238 142 D C -0.085 176.192 176.300 -0.039 0.000 1.152 142 D CA 0.511 54.481 54.000 -0.050 0.000 0.666 142 D CB -0.886 39.893 40.800 -0.035 0.000 1.037 142 D HN 0.150 nan 8.370 nan 0.000 0.423 143 L N -0.215 120.979 121.223 -0.048 0.000 2.479 143 L HA 0.278 4.617 4.340 -0.001 0.000 0.249 143 L C 1.290 178.137 176.870 -0.037 0.000 1.178 143 L CA -0.689 54.132 54.840 -0.032 0.000 0.811 143 L CB 0.257 42.292 42.059 -0.039 0.000 1.187 143 L HN 0.144 nan 8.230 nan 0.000 0.480 144 D N 1.883 122.267 120.400 -0.027 0.000 2.493 144 D HA -0.015 4.624 4.640 -0.001 0.000 0.240 144 D C -1.553 174.720 176.300 -0.045 0.000 1.142 144 D CA -1.106 52.875 54.000 -0.031 0.000 0.872 144 D CB 1.394 42.178 40.800 -0.027 0.000 1.173 144 D HN 0.257 nan 8.370 nan 0.000 0.467 145 P HA -0.066 nan 4.420 nan 0.000 0.225 145 P C 0.571 177.846 177.300 -0.043 0.000 1.148 145 P CA 0.482 63.559 63.100 -0.038 0.000 0.779 145 P CB 0.369 32.055 31.700 -0.023 0.000 0.780 146 S N -0.327 115.342 115.700 -0.052 0.000 2.614 146 S HA 0.104 4.573 4.470 -0.001 0.000 0.230 146 S C 0.683 175.218 174.600 -0.109 0.000 0.952 146 S CA -0.436 57.722 58.200 -0.070 0.000 0.949 146 S CB -0.503 62.661 63.200 -0.060 0.000 0.786 146 S HN -0.008 nan 8.310 nan 0.000 0.478 147 V N 2.862 122.713 119.914 -0.106 0.000 2.673 147 V HA 0.129 4.248 4.120 -0.001 0.000 0.303 147 V C -0.059 175.918 176.094 -0.196 0.000 1.046 147 V CA 0.016 62.230 62.300 -0.143 0.000 1.126 147 V CB 0.468 32.233 31.823 -0.097 0.000 0.934 147 V HN 0.277 nan 8.190 nan 0.000 0.487 148 K N 7.249 127.460 120.400 -0.314 0.000 2.310 148 K HA 0.407 4.727 4.320 -0.001 0.000 0.290 148 K C -0.256 176.166 176.600 -0.297 0.000 1.077 148 K CA -0.063 56.015 56.287 -0.349 0.000 0.922 148 K CB 0.706 32.914 32.500 -0.486 0.000 1.057 148 K HN 0.648 nan 8.250 nan 0.000 0.479 149 R N 2.289 122.581 120.500 -0.347 0.000 2.598 149 R HA 0.489 4.829 4.340 -0.001 0.000 0.279 149 R C -0.692 175.272 176.300 -0.561 0.000 0.984 149 R CA -0.597 55.320 56.100 -0.306 0.000 0.999 149 R CB 1.048 31.247 30.300 -0.169 0.000 1.114 149 R HN 0.393 nan 8.270 nan 0.000 0.493 150 F N 1.533 121.428 119.950 -0.092 0.000 2.557 150 F HA 0.376 4.903 4.527 -0.001 0.000 0.316 150 F C -0.421 175.187 175.800 -0.320 0.000 1.141 150 F CA -1.004 56.858 58.000 -0.229 0.000 0.922 150 F CB 2.214 41.114 39.000 -0.167 0.000 1.194 150 F HN 0.232 nan 8.300 nan 0.000 0.443 151 M N 5.120 124.550 119.600 -0.284 0.000 2.190 151 M HA 0.561 5.040 4.480 -0.001 0.000 0.312 151 M C -2.120 173.876 176.300 -0.507 0.000 0.990 151 M CA -0.411 54.689 55.300 -0.333 0.000 0.927 151 M CB 0.708 33.172 32.600 -0.227 0.000 1.571 151 M HN 0.344 nan 8.290 nan 0.000 0.427 152 F N 5.386 125.220 119.950 -0.194 0.000 2.427 152 F HA 0.530 5.056 4.527 -0.001 0.000 0.348 152 F C -1.176 174.485 175.800 -0.233 0.000 1.125 152 F CA -0.384 57.539 58.000 -0.128 0.000 0.989 152 F CB 0.979 39.939 39.000 -0.066 0.000 1.165 152 F HN 0.430 nan 8.300 nan 0.000 0.442 153 Y N 1.930 122.350 120.300 0.200 0.000 2.446 153 Y HA 0.369 4.918 4.550 -0.001 0.000 0.338 153 Y C 0.563 176.559 175.900 0.160 0.000 1.055 153 Y CA -1.121 57.042 58.100 0.105 0.000 1.101 153 Y CB 0.824 39.371 38.460 0.147 0.000 1.221 153 Y HN 0.536 nan 8.280 nan 0.000 0.460 154 H N 2.228 121.432 119.070 0.224 0.000 2.791 154 H HA -0.195 4.360 4.556 -0.001 0.000 0.302 154 H C 0.542 175.902 175.328 0.053 0.000 1.198 154 H CA 0.937 57.052 56.048 0.111 0.000 1.145 154 H CB -1.161 28.674 29.762 0.122 0.000 1.385 154 H HN 0.703 nan 8.280 nan 0.000 0.409 155 L N -0.811 120.425 121.223 0.021 0.000 2.145 155 L HA 0.203 4.542 4.340 -0.001 0.000 0.201 155 L C 1.756 178.400 176.870 -0.376 0.000 1.075 155 L CA 1.133 55.889 54.840 -0.140 0.000 0.773 155 L CB 0.076 41.966 42.059 -0.282 0.000 0.936 155 L HN 0.608 nan 8.230 nan 0.000 0.451 156 G N -1.501 107.080 108.800 -0.366 0.000 2.466 156 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.316 156 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.316 156 G C 0.185 174.811 174.900 -0.458 0.000 1.270 156 G CA -0.421 44.475 45.100 -0.339 0.000 0.982 156 G HN 0.019 nan 8.290 nan 0.000 0.506 157 C N 0.414 119.532 119.300 -0.304 0.000 2.413 157 C HA 0.067 4.526 4.460 -0.001 0.000 0.292 157 C C 2.208 176.901 174.990 -0.495 0.000 1.435 157 C CA 1.752 60.518 59.018 -0.420 0.000 1.791 157 C CB -2.187 25.411 27.740 -0.236 0.000 1.784 157 C HN 0.648 nan 8.230 nan 0.000 0.548 158 Y N -0.074 120.107 120.300 -0.197 0.000 2.500 158 Y HA 0.505 5.054 4.550 -0.001 0.000 0.270 158 Y C 2.079 177.867 175.900 -0.186 0.000 1.134 158 Y CA 0.200 58.192 58.100 -0.180 0.000 1.293 158 Y CB -1.192 37.227 38.460 -0.067 0.000 1.063 158 Y HN 0.037 nan 8.280 nan 0.000 0.534 159 A N 1.612 124.172 122.820 -0.433 0.000 2.076 159 A HA -0.072 4.248 4.320 -0.001 0.000 0.220 159 A C 2.422 179.933 177.584 -0.121 0.000 1.160 159 A CA 1.562 53.432 52.037 -0.280 0.000 0.653 159 A CB -1.500 17.280 19.000 -0.367 0.000 0.801 159 A HN 0.630 nan 8.150 nan 0.000 0.455 160 G N -0.533 108.194 108.800 -0.121 0.000 2.422 160 G HA2 0.021 3.980 3.960 -0.001 0.000 0.218 160 G HA3 0.021 3.980 3.960 -0.001 0.000 0.218 160 G C 1.439 176.291 174.900 -0.080 0.000 1.146 160 G CA 1.173 46.226 45.100 -0.078 0.000 0.769 160 G HN 0.663 nan 8.290 nan 0.000 0.547 161 G N 0.136 108.867 108.800 -0.116 0.000 2.403 161 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.216 161 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.216 161 G C 1.829 176.687 174.900 -0.069 0.000 1.154 161 G CA 1.599 46.636 45.100 -0.105 0.000 0.784 161 G HN 0.361 nan 8.290 nan 0.000 0.538 162 T N 1.444 115.964 114.554 -0.058 0.000 2.684 162 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 162 T C 2.702 177.297 174.700 -0.175 0.000 1.036 162 T CA 2.045 64.067 62.100 -0.130 0.000 1.148 162 T CB -0.569 68.185 68.868 -0.189 0.000 0.863 162 T HN 0.326 nan 8.240 nan 0.000 0.436 163 V N 0.304 120.141 119.914 -0.129 0.000 2.515 163 V HA -0.024 4.095 4.120 -0.001 0.000 0.250 163 V C 2.280 178.367 176.094 -0.011 0.000 1.058 163 V CA 1.376 63.637 62.300 -0.064 0.000 1.064 163 V CB -1.169 30.658 31.823 0.006 0.000 0.675 163 V HN 0.419 nan 8.190 nan 0.000 0.461 164 L N -0.072 121.167 121.223 0.028 0.000 2.109 164 L HA -0.030 4.309 4.340 -0.001 0.000 0.207 164 L C 2.970 179.819 176.870 -0.035 0.000 1.086 164 L CA 1.980 56.833 54.840 0.022 0.000 0.760 164 L CB -0.565 41.521 42.059 0.046 0.000 0.910 164 L HN 0.309 nan 8.230 nan 0.000 0.437 165 R N 0.383 120.845 120.500 -0.063 0.000 2.096 165 R HA -0.216 4.123 4.340 -0.001 0.000 0.235 165 R C 2.273 178.524 176.300 -0.082 0.000 1.127 165 R CA 1.473 57.525 56.100 -0.080 0.000 0.968 165 R CB -0.200 30.042 30.300 -0.096 0.000 0.861 165 R HN 0.201 nan 8.270 nan 0.000 0.440 166 L N 0.415 121.584 121.223 -0.091 0.000 2.044 166 L HA 0.089 4.428 4.340 -0.001 0.000 0.205 166 L C 2.258 179.080 176.870 -0.080 0.000 1.075 166 L CA 2.125 56.904 54.840 -0.102 0.000 0.747 166 L CB -0.857 41.141 42.059 -0.102 0.000 0.903 166 L HN 0.220 nan 8.230 nan 0.000 0.435 167 A N -0.278 122.510 122.820 -0.054 0.000 1.940 167 A HA -0.290 4.029 4.320 -0.001 0.000 0.219 167 A C 2.453 179.996 177.584 -0.069 0.000 1.176 167 A CA 2.096 54.097 52.037 -0.059 0.000 0.631 167 A CB -0.704 18.266 19.000 -0.050 0.000 0.814 167 A HN 0.563 nan 8.150 nan 0.000 0.446 168 K N -0.530 119.837 120.400 -0.055 0.000 2.032 168 K HA -0.220 4.099 4.320 -0.001 0.000 0.209 168 K C 1.320 177.889 176.600 -0.052 0.000 1.048 168 K CA 1.848 58.106 56.287 -0.047 0.000 0.927 168 K CB -0.249 32.226 32.500 -0.042 0.000 0.712 168 K HN 0.353 nan 8.250 nan 0.000 0.441 169 D N 0.649 121.015 120.400 -0.057 0.000 2.144 169 D HA -0.103 4.536 4.640 -0.001 0.000 0.200 169 D C 1.961 178.227 176.300 -0.057 0.000 0.978 169 D CA 0.971 54.941 54.000 -0.050 0.000 0.833 169 D CB -0.046 40.724 40.800 -0.050 0.000 0.961 169 D HN 0.313 nan 8.370 nan 0.000 0.470 170 I N 1.068 121.586 120.570 -0.088 0.000 2.163 170 I HA -0.243 3.927 4.170 -0.001 0.000 0.240 170 I C 2.478 178.496 176.117 -0.166 0.000 1.081 170 I CA 1.056 62.265 61.300 -0.153 0.000 1.353 170 I CB -0.232 37.610 38.000 -0.263 0.000 1.054 170 I HN -0.078 nan 8.210 nan 0.000 0.407 171 A N 0.363 123.102 122.820 -0.136 0.000 1.933 171 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 171 A C 2.160 179.718 177.584 -0.043 0.000 1.175 171 A CA 1.724 53.708 52.037 -0.089 0.000 0.628 171 A CB -0.558 18.401 19.000 -0.068 0.000 0.814 171 A HN 0.466 nan 8.150 nan 0.000 0.444 172 E N -1.103 119.076 120.200 -0.035 0.000 2.285 172 E HA -0.090 4.260 4.350 -0.001 0.000 0.194 172 E C 1.301 177.898 176.600 -0.007 0.000 0.997 172 E CA 0.757 57.148 56.400 -0.015 0.000 0.845 172 E CB -0.046 29.646 29.700 -0.013 0.000 0.782 172 E HN 0.615 nan 8.360 nan 0.000 0.491 173 N N 0.353 119.047 118.700 -0.011 0.000 2.299 173 N HA 0.010 4.749 4.740 -0.001 0.000 0.187 173 N C -0.760 174.762 175.510 0.020 0.000 1.099 173 N CA 0.134 53.188 53.050 0.006 0.000 0.867 173 N CB 0.567 39.059 38.487 0.009 0.000 0.974 173 N HN -0.061 nan 8.380 nan 0.000 0.477 174 N N 1.021 119.731 118.700 0.016 0.000 2.573 174 N HA 0.038 4.777 4.740 -0.001 0.000 0.262 174 N C -1.278 174.260 175.510 0.046 0.000 1.029 174 N CA -0.364 52.714 53.050 0.047 0.000 0.882 174 N CB 1.672 40.209 38.487 0.083 0.000 1.204 174 N HN 0.147 nan 8.380 nan 0.000 0.519 175 K N 0.653 121.079 120.400 0.044 0.000 2.491 175 K HA 0.023 4.343 4.320 -0.001 0.000 0.279 175 K C 1.077 177.711 176.600 0.056 0.000 1.026 175 K CA 1.234 57.546 56.287 0.042 0.000 1.070 175 K CB 0.072 32.594 32.500 0.036 0.000 0.887 175 K HN 0.760 nan 8.250 nan 0.000 0.481 176 G N 2.135 110.970 108.800 0.058 0.000 2.205 176 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.261 176 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.261 176 G C 0.195 175.155 174.900 0.101 0.000 0.980 176 G CA 0.192 45.338 45.100 0.077 0.000 0.632 176 G HN 0.971 nan 8.290 nan 0.000 0.533 177 A N 0.286 123.163 122.820 0.095 0.000 2.511 177 A HA 0.593 4.913 4.320 -0.001 0.000 0.242 177 A C 0.671 178.306 177.584 0.085 0.000 1.069 177 A CA 0.515 52.628 52.037 0.127 0.000 0.763 177 A CB 0.254 19.294 19.000 0.066 0.000 1.001 177 A HN 0.380 nan 8.150 nan 0.000 0.498 178 R N 1.996 122.563 120.500 0.111 0.000 2.435 178 R HA 0.419 4.758 4.340 -0.001 0.000 0.308 178 R C -1.474 174.787 176.300 -0.065 0.000 0.975 178 R CA -0.528 55.567 56.100 -0.009 0.000 0.867 178 R CB 1.415 31.763 30.300 0.080 0.000 1.171 178 R HN 0.463 nan 8.270 nan 0.000 0.470 179 V N 4.567 124.395 119.914 -0.143 0.000 2.394 179 V HA 0.340 4.459 4.120 -0.001 0.000 0.282 179 V C 0.003 175.972 176.094 -0.207 0.000 1.031 179 V CA -0.944 61.291 62.300 -0.109 0.000 0.881 179 V CB 1.540 33.306 31.823 -0.095 0.000 0.982 179 V HN 0.459 nan 8.190 nan 0.000 0.451 180 L N 7.223 128.350 121.223 -0.159 0.000 2.272 180 L HA 0.632 4.971 4.340 -0.001 0.000 0.289 180 L C -0.478 176.312 176.870 -0.133 0.000 1.032 180 L CA 0.274 54.998 54.840 -0.194 0.000 0.810 180 L CB 0.822 42.787 42.059 -0.158 0.000 1.205 180 L HN 0.531 nan 8.230 nan 0.000 0.422 181 I N 5.578 126.039 120.570 -0.182 0.000 2.441 181 I HA 0.503 4.672 4.170 -0.001 0.000 0.295 181 I C -0.896 175.099 176.117 -0.204 0.000 0.994 181 I CA -0.873 60.324 61.300 -0.172 0.000 1.144 181 I CB 1.965 39.815 38.000 -0.249 0.000 1.314 181 I HN 0.268 nan 8.210 nan 0.000 0.445 182 V N 5.336 125.168 119.914 -0.138 0.000 2.447 182 V HA 0.256 4.375 4.120 -0.001 0.000 0.292 182 V C -0.723 175.321 176.094 -0.085 0.000 1.021 182 V CA -0.513 61.712 62.300 -0.125 0.000 0.850 182 V CB 1.633 33.404 31.823 -0.086 0.000 1.005 182 V HN 0.805 nan 8.190 nan 0.000 0.426 183 C N 3.684 122.938 119.300 -0.078 0.000 2.239 183 C HA 0.611 5.070 4.460 -0.001 0.000 0.323 183 C C 0.772 175.772 174.990 0.017 0.000 1.205 183 C CA -0.344 58.671 59.018 -0.005 0.000 1.584 183 C CB 0.358 28.149 27.740 0.085 0.000 2.201 183 C HN 0.835 nan 8.230 nan 0.000 0.475 184 S N 3.429 119.128 115.700 -0.002 0.000 2.566 184 S HA 0.400 4.869 4.470 -0.001 0.000 0.324 184 S C -0.601 173.996 174.600 -0.005 0.000 1.081 184 S CA -0.311 57.893 58.200 0.007 0.000 1.105 184 S CB 0.112 63.307 63.200 -0.009 0.000 0.981 184 S HN 0.729 nan 8.310 nan 0.000 0.464 185 E N 4.512 124.716 120.200 0.007 0.000 2.158 185 E HA 0.406 4.755 4.350 -0.001 0.000 0.271 185 E C -0.616 175.974 176.600 -0.016 0.000 0.911 185 E CA -0.444 55.941 56.400 -0.025 0.000 0.767 185 E CB 1.565 31.243 29.700 -0.036 0.000 1.120 185 E HN 0.591 nan 8.360 nan 0.000 0.405 186 M N 1.349 120.927 119.600 -0.037 0.000 2.464 186 M HA 0.219 4.699 4.480 -0.001 0.000 0.308 186 M C 0.616 176.901 176.300 -0.026 0.000 1.127 186 M CA -0.505 54.786 55.300 -0.015 0.000 0.913 186 M CB 2.131 34.709 32.600 -0.037 0.000 1.689 186 M HN 0.399 nan 8.290 nan 0.000 0.445 187 T N -3.241 111.328 114.554 0.025 0.000 3.145 187 T HA 0.090 4.440 4.350 -0.001 0.000 0.255 187 T C 1.101 175.874 174.700 0.123 0.000 1.039 187 T CA 0.088 62.212 62.100 0.040 0.000 0.928 187 T CB -0.353 68.568 68.868 0.088 0.000 1.029 187 T HN 0.638 nan 8.240 nan 0.000 0.554 188 T N 1.877 116.495 114.554 0.106 0.000 2.833 188 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 188 T C 2.074 176.851 174.700 0.128 0.000 1.054 188 T CA 1.900 64.081 62.100 0.136 0.000 1.135 188 T CB -0.689 68.242 68.868 0.105 0.000 0.869 188 T HN 0.575 nan 8.240 nan 0.000 0.466 189 T N 0.711 115.310 114.554 0.076 0.000 2.915 189 T HA -0.109 4.240 4.350 -0.001 0.000 0.269 189 T C 1.986 176.738 174.700 0.086 0.000 1.071 189 T CA 1.479 63.623 62.100 0.072 0.000 1.132 189 T CB -0.519 68.375 68.868 0.042 0.000 0.878 189 T HN 0.720 nan 8.240 nan 0.000 0.479 190 C N -0.637 118.717 119.300 0.089 0.000 3.336 190 C HA 0.530 4.989 4.460 -0.001 0.000 0.291 190 C C 0.618 175.688 174.990 0.134 0.000 1.363 190 C CA -1.496 57.571 59.018 0.081 0.000 1.737 190 C CB -1.926 25.818 27.740 0.007 0.000 2.274 190 C HN 0.404 nan 8.230 nan 0.000 0.663 191 F N 4.695 124.689 119.950 0.073 0.000 2.543 191 F HA 0.481 5.008 4.527 -0.001 0.000 0.375 191 F C 0.747 176.620 175.800 0.121 0.000 1.075 191 F CA 0.394 58.466 58.000 0.120 0.000 1.225 191 F CB 0.346 39.426 39.000 0.132 0.000 1.099 191 F HN 0.529 nan 8.300 nan 0.000 0.561 192 R N 3.988 124.401 120.500 -0.144 0.000 2.716 192 R HA 0.653 4.993 4.340 -0.001 0.000 0.271 192 R C -0.571 175.712 176.300 -0.029 0.000 1.028 192 R CA -0.921 55.196 56.100 0.029 0.000 0.883 192 R CB 0.435 30.756 30.300 0.034 0.000 1.250 192 R HN 0.756 nan 8.270 nan 0.000 0.465 193 G N 0.942 109.749 108.800 0.011 0.000 2.667 193 G HA2 0.390 4.349 3.960 -0.001 0.000 0.250 193 G HA3 0.390 4.349 3.960 -0.001 0.000 0.250 193 G C -2.161 172.728 174.900 -0.018 0.000 1.212 193 G CA -1.092 43.914 45.100 -0.156 0.000 0.874 193 G HN 0.545 nan 8.290 nan 0.000 0.561 194 P HA 0.282 nan 4.420 nan 0.000 0.276 194 P C -0.719 176.428 177.300 -0.255 0.000 1.252 194 P CA -0.261 62.743 63.100 -0.159 0.000 0.802 194 P CB 1.805 33.328 31.700 -0.295 0.000 1.035 195 S N -0.084 115.433 115.700 -0.304 0.000 2.614 195 S HA 0.202 4.671 4.470 -0.001 0.000 0.288 195 S C 0.726 175.218 174.600 -0.180 0.000 1.137 195 S CA -0.567 57.360 58.200 -0.454 0.000 0.992 195 S CB 0.852 63.389 63.200 -1.105 0.000 1.026 195 S HN 0.343 nan 8.310 nan 0.000 0.486 196 E N 1.988 122.115 120.200 -0.122 0.000 2.208 196 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 196 E C 1.552 178.118 176.600 -0.057 0.000 0.988 196 E CA 1.501 57.870 56.400 -0.052 0.000 0.828 196 E CB -0.042 29.637 29.700 -0.035 0.000 0.763 196 E HN 0.874 nan 8.360 nan 0.000 0.478 197 T N -2.042 112.466 114.554 -0.077 0.000 3.054 197 T HA -0.033 4.316 4.350 -0.001 0.000 0.259 197 T C 0.601 175.098 174.700 -0.337 0.000 1.092 197 T CA 0.452 62.462 62.100 -0.150 0.000 1.121 197 T CB -0.077 68.730 68.868 -0.101 0.000 0.912 197 T HN 0.089 nan 8.240 nan 0.000 0.489 198 H N 0.591 119.614 119.070 -0.078 0.000 2.348 198 H HA 0.512 5.067 4.556 -0.001 0.000 0.232 198 H C 0.831 176.170 175.328 0.018 0.000 1.419 198 H CA -0.564 55.489 56.048 0.007 0.000 1.416 198 H CB 0.152 29.958 29.762 0.075 0.000 1.510 198 H HN 0.066 nan 8.280 nan 0.000 0.507 199 L N 0.412 121.685 121.223 0.084 0.000 2.187 199 L HA -0.208 4.131 4.340 -0.001 0.000 0.213 199 L C 1.803 178.766 176.870 0.154 0.000 1.100 199 L CA 1.411 56.314 54.840 0.105 0.000 0.765 199 L CB -0.079 42.026 42.059 0.076 0.000 0.904 199 L HN 0.606 nan 8.230 nan 0.000 0.437 200 D N -1.525 118.974 120.400 0.166 0.000 2.234 200 D HA -0.164 4.475 4.640 -0.001 0.000 0.205 200 D C 2.125 178.572 176.300 0.245 0.000 0.962 200 D CA 1.092 55.196 54.000 0.172 0.000 0.855 200 D CB -0.256 40.615 40.800 0.119 0.000 0.951 200 D HN 0.129 nan 8.370 nan 0.000 0.500 201 S N 0.828 116.691 115.700 0.272 0.000 2.374 201 S HA -0.205 4.264 4.470 -0.001 0.000 0.227 201 S C 2.103 176.913 174.600 0.351 0.000 1.037 201 S CA 2.028 60.434 58.200 0.344 0.000 1.024 201 S CB -0.553 62.877 63.200 0.383 0.000 0.861 201 S HN 0.514 nan 8.310 nan 0.000 0.456 202 M N -0.292 119.474 119.600 0.276 0.000 2.557 202 M HA 0.123 4.602 4.480 -0.001 0.000 0.259 202 M C 1.667 178.140 176.300 0.290 0.000 1.086 202 M CA 1.101 56.552 55.300 0.252 0.000 1.096 202 M CB -0.719 32.050 32.600 0.282 0.000 1.424 202 M HN 0.221 nan 8.290 nan 0.000 0.488 203 I N 1.773 122.513 120.570 0.283 0.000 2.335 203 I HA -0.165 4.005 4.170 -0.001 0.000 0.251 203 I C 2.692 178.802 176.117 -0.012 0.000 1.129 203 I CA 1.382 62.789 61.300 0.179 0.000 1.402 203 I CB -0.860 37.298 38.000 0.263 0.000 1.069 203 I HN 0.514 nan 8.210 nan 0.000 0.424 204 G N 0.085 108.893 108.800 0.012 0.000 2.422 204 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 204 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 204 G C 1.490 176.311 174.900 -0.130 0.000 1.146 204 G CA 0.394 45.319 45.100 -0.291 0.000 0.769 204 G HN 0.321 nan 8.290 nan 0.000 0.547 205 Q N 0.059 119.819 119.800 -0.067 0.000 2.472 205 Q HA 0.396 4.736 4.340 -0.001 0.000 0.208 205 Q C 2.396 178.375 176.000 -0.036 0.000 0.958 205 Q CA 0.885 56.612 55.803 -0.127 0.000 0.932 205 Q CB 0.088 28.530 28.738 -0.494 0.000 1.007 205 Q HN 0.474 nan 8.270 nan 0.000 0.508 206 A N -0.685 122.110 122.820 -0.041 0.000 1.997 206 A HA 0.127 4.446 4.320 -0.001 0.000 0.212 206 A C 1.582 178.970 177.584 -0.326 0.000 1.178 206 A CA 0.497 52.404 52.037 -0.217 0.000 0.698 206 A CB 0.125 18.935 19.000 -0.317 0.000 0.842 206 A HN 0.316 nan 8.150 nan 0.000 0.458 207 L N -1.991 119.005 121.223 -0.378 0.000 2.425 207 L HA 0.291 4.631 4.340 -0.001 0.000 0.215 207 L C -0.188 176.450 176.870 -0.387 0.000 1.065 207 L CA -0.213 54.362 54.840 -0.441 0.000 0.842 207 L CB -0.181 41.535 42.059 -0.572 0.000 1.033 207 L HN 0.164 nan 8.230 nan 0.000 0.474 208 F N 1.356 121.191 119.950 -0.192 0.000 2.456 208 F HA 0.499 5.025 4.527 -0.001 0.000 0.358 208 F C 0.992 176.713 175.800 -0.131 0.000 1.095 208 F CA -0.785 57.121 58.000 -0.157 0.000 1.216 208 F CB 0.562 39.455 39.000 -0.178 0.000 1.125 208 F HN -0.189 nan 8.300 nan 0.000 0.549 209 G N 1.848 110.726 108.800 0.129 0.000 2.600 209 G HA2 0.520 4.479 3.960 -0.001 0.000 0.303 209 G HA3 0.520 4.479 3.960 -0.001 0.000 0.303 209 G C -1.493 173.455 174.900 0.080 0.000 1.253 209 G CA -0.796 44.342 45.100 0.063 0.000 0.974 209 G HN 0.383 nan 8.290 nan 0.000 0.483 210 D N -0.851 119.613 120.400 0.107 0.000 2.217 210 D HA 0.695 5.334 4.640 -0.001 0.000 0.248 210 D C 0.414 176.769 176.300 0.092 0.000 1.008 210 D CA 0.353 54.412 54.000 0.098 0.000 0.914 210 D CB 1.800 42.681 40.800 0.134 0.000 1.182 210 D HN 0.804 nan 8.370 nan 0.000 0.451 211 G N -1.065 107.775 108.800 0.067 0.000 2.377 211 G HA2 0.590 4.549 3.960 -0.001 0.000 0.297 211 G HA3 0.590 4.549 3.960 -0.001 0.000 0.297 211 G C -1.939 173.056 174.900 0.158 0.000 1.547 211 G CA -0.395 44.766 45.100 0.102 0.000 0.833 211 G HN 0.560 nan 8.290 nan 0.000 0.583 212 A N -0.655 122.310 122.820 0.242 0.000 2.435 212 A HA 1.084 5.403 4.320 -0.001 0.000 0.304 212 A C -0.129 177.545 177.584 0.149 0.000 1.064 212 A CA 0.083 52.216 52.037 0.160 0.000 0.727 212 A CB 1.765 20.801 19.000 0.060 0.000 1.284 212 A HN 2.494 nan 8.150 nan 0.000 0.415 213 A N 0.485 123.346 122.820 0.070 0.000 2.449 213 A HA 0.919 5.238 4.320 -0.001 0.000 0.302 213 A C -0.343 177.122 177.584 -0.199 0.000 1.048 213 A CA 0.055 52.038 52.037 -0.089 0.000 0.708 213 A CB 1.459 20.487 19.000 0.047 0.000 1.274 213 A HN 2.448 nan 8.150 nan 0.000 0.410 214 A N 0.913 123.583 122.820 -0.250 0.000 2.386 214 A HA 0.861 5.181 4.320 -0.001 0.000 0.311 214 A C -0.431 176.963 177.584 -0.317 0.000 1.068 214 A CA -0.101 51.774 52.037 -0.271 0.000 0.743 214 A CB 1.402 20.297 19.000 -0.175 0.000 1.258 214 A HN 2.327 nan 8.150 nan 0.000 0.429 215 V N -0.280 119.416 119.914 -0.363 0.000 3.049 215 V HA 0.761 4.880 4.120 -0.001 0.000 0.309 215 V C -1.113 174.805 176.094 -0.295 0.000 1.148 215 V CA -0.923 61.188 62.300 -0.316 0.000 0.990 215 V CB 1.856 33.446 31.823 -0.388 0.000 1.039 215 V HN 0.691 nan 8.190 nan 0.000 0.430 216 I N 3.115 123.507 120.570 -0.296 0.000 2.404 216 I HA 0.636 4.805 4.170 -0.001 0.000 0.293 216 I C -0.404 175.525 176.117 -0.313 0.000 0.992 216 I CA -0.580 60.457 61.300 -0.439 0.000 1.149 216 I CB 1.747 39.271 38.000 -0.793 0.000 1.315 216 I HN 0.550 nan 8.210 nan 0.000 0.446 217 V N 4.832 124.582 119.914 -0.273 0.000 2.604 217 V HA 0.926 5.045 4.120 -0.001 0.000 0.305 217 V C 0.209 176.219 176.094 -0.141 0.000 1.043 217 V CA -0.409 61.797 62.300 -0.157 0.000 0.888 217 V CB 2.003 33.763 31.823 -0.105 0.000 0.995 217 V HN 0.976 nan 8.190 nan 0.000 0.429 218 G N 2.391 111.147 108.800 -0.074 0.000 2.703 218 G HA2 0.750 4.709 3.960 -0.001 0.000 0.294 218 G HA3 0.750 4.709 3.960 -0.001 0.000 0.294 218 G C -1.209 173.693 174.900 0.003 0.000 1.451 218 G CA -0.031 45.051 45.100 -0.030 0.000 0.869 218 G HN 1.038 nan 8.290 nan 0.000 0.516 219 A N 0.404 123.231 122.820 0.012 0.000 2.294 219 A HA 0.761 5.081 4.320 -0.001 0.000 0.330 219 A C 0.354 177.957 177.584 0.032 0.000 1.133 219 A CA 0.389 52.436 52.037 0.018 0.000 0.836 219 A CB 0.893 19.899 19.000 0.010 0.000 1.190 219 A HN 1.773 nan 8.150 nan 0.000 0.492 220 D N -0.161 120.257 120.400 0.029 0.000 2.956 220 D HA -0.090 4.549 4.640 -0.001 0.000 0.240 220 D C -2.344 173.982 176.300 0.042 0.000 1.141 220 D CA 0.339 54.358 54.000 0.031 0.000 0.820 220 D CB -1.041 39.777 40.800 0.030 0.000 0.988 220 D HN 0.302 nan 8.370 nan 0.000 0.417 221 P HA 0.145 nan 4.420 nan 0.000 0.268 221 P C -0.408 176.917 177.300 0.041 0.000 1.204 221 P CA -0.192 62.942 63.100 0.057 0.000 0.768 221 P CB 0.535 32.263 31.700 0.047 0.000 0.842 222 D N 3.103 123.530 120.400 0.046 0.000 2.422 222 D HA 0.046 4.686 4.640 -0.001 0.000 0.227 222 D C 0.965 177.270 176.300 0.009 0.000 1.190 222 D CA -0.048 53.963 54.000 0.020 0.000 0.905 222 D CB 0.032 40.838 40.800 0.010 0.000 1.034 222 D HN 0.257 nan 8.370 nan 0.000 0.507 223 L N 2.688 123.914 121.223 0.004 0.000 2.642 223 L HA -0.114 4.225 4.340 -0.001 0.000 0.236 223 L C 2.108 178.969 176.870 -0.014 0.000 1.169 223 L CA 1.170 56.007 54.840 -0.004 0.000 0.851 223 L CB -0.634 41.421 42.059 -0.006 0.000 0.968 223 L HN 0.447 nan 8.230 nan 0.000 0.453 224 T N -5.189 109.354 114.554 -0.019 0.000 3.100 224 T HA 0.039 4.388 4.350 -0.001 0.000 0.253 224 T C 1.242 175.918 174.700 -0.040 0.000 1.118 224 T CA 0.687 62.770 62.100 -0.027 0.000 1.058 224 T CB 0.798 69.650 68.868 -0.027 0.000 0.953 224 T HN 0.187 nan 8.240 nan 0.000 0.515 225 V N -0.745 119.143 119.914 -0.044 0.000 3.161 225 V HA 0.385 4.504 4.120 -0.001 0.000 0.228 225 V C -0.355 175.703 176.094 -0.061 0.000 1.415 225 V CA -0.217 62.040 62.300 -0.072 0.000 1.285 225 V CB 0.810 32.563 31.823 -0.116 0.000 1.100 225 V HN 0.391 nan 8.190 nan 0.000 0.478 226 E N 1.451 121.638 120.200 -0.021 0.000 2.313 226 E HA 0.506 4.855 4.350 -0.001 0.000 0.272 226 E C -0.787 175.838 176.600 0.041 0.000 1.038 226 E CA -0.427 56.002 56.400 0.048 0.000 0.863 226 E CB 1.061 30.840 29.700 0.131 0.000 1.060 226 E HN 0.350 nan 8.360 nan 0.000 0.402 227 R N 3.018 123.553 120.500 0.058 0.000 2.407 227 R HA 0.287 4.627 4.340 -0.001 0.000 0.298 227 R C -2.551 173.754 176.300 0.008 0.000 1.166 227 R CA -1.897 54.212 56.100 0.016 0.000 1.006 227 R CB 1.136 31.436 30.300 -0.000 0.000 1.145 227 R HN 0.315 nan 8.270 nan 0.000 0.538 228 P HA 0.034 nan 4.420 nan 0.000 0.267 228 P C 0.144 177.384 177.300 -0.099 0.000 1.200 228 P CA 0.283 63.366 63.100 -0.029 0.000 0.772 228 P CB 0.838 32.520 31.700 -0.030 0.000 0.855 229 I N -0.309 120.188 120.570 -0.123 0.000 3.673 229 I HA 0.214 4.384 4.170 -0.001 0.000 0.281 229 I C 0.047 175.793 176.117 -0.620 0.000 1.182 229 I CA 0.483 61.589 61.300 -0.323 0.000 1.391 229 I CB 0.230 38.137 38.000 -0.154 0.000 1.383 229 I HN 0.160 nan 8.210 nan 0.000 0.456 230 F N 0.710 120.662 119.950 0.004 0.000 2.608 230 F HA 0.407 4.933 4.527 -0.001 0.000 0.309 230 F C -0.374 175.444 175.800 0.031 0.000 1.103 230 F CA -0.866 57.153 58.000 0.031 0.000 0.954 230 F CB 1.662 40.708 39.000 0.077 0.000 1.267 230 F HN -0.204 nan 8.300 nan 0.000 0.444 231 E N 2.650 122.991 120.200 0.235 0.000 2.231 231 E HA 0.510 4.860 4.350 -0.001 0.000 0.277 231 E C -1.108 175.570 176.600 0.131 0.000 0.999 231 E CA -0.746 55.732 56.400 0.131 0.000 0.827 231 E CB 1.724 31.467 29.700 0.072 0.000 1.101 231 E HN 0.449 nan 8.360 nan 0.000 0.393 232 L N 3.874 125.145 121.223 0.079 0.000 2.270 232 L HA 0.149 4.489 4.340 -0.001 0.000 0.286 232 L C 0.967 177.856 176.870 0.031 0.000 1.059 232 L CA -0.381 54.483 54.840 0.041 0.000 0.839 232 L CB 0.630 42.698 42.059 0.015 0.000 1.221 232 L HN 0.496 nan 8.230 nan 0.000 0.431 233 V N 1.256 121.197 119.914 0.045 0.000 2.302 233 V HA -0.065 4.054 4.120 -0.001 0.000 0.243 233 V C 1.048 177.131 176.094 -0.017 0.000 1.036 233 V CA 1.430 63.765 62.300 0.059 0.000 1.020 233 V CB 0.027 31.949 31.823 0.165 0.000 0.657 233 V HN 0.893 nan 8.190 nan 0.000 0.453 234 S N -0.928 114.723 115.700 -0.082 0.000 2.570 234 S HA 0.650 5.119 4.470 -0.001 0.000 0.270 234 S C -0.662 173.845 174.600 -0.155 0.000 1.149 234 S CA -0.100 58.026 58.200 -0.122 0.000 0.837 234 S CB 2.304 65.404 63.200 -0.167 0.000 1.124 234 S HN 0.503 nan 8.310 nan 0.000 0.465 235 T N -1.523 112.948 114.554 -0.139 0.000 2.906 235 T HA 0.944 5.293 4.350 -0.001 0.000 0.295 235 T C -0.461 174.158 174.700 -0.135 0.000 1.061 235 T CA -0.522 61.491 62.100 -0.145 0.000 1.000 235 T CB 1.342 70.142 68.868 -0.114 0.000 1.103 235 T HN 2.001 nan 8.240 nan 0.000 0.486 236 A N 1.141 123.880 122.820 -0.136 0.000 2.612 236 A HA 0.817 5.136 4.320 -0.001 0.000 0.293 236 A C -1.445 176.082 177.584 -0.096 0.000 1.075 236 A CA -0.849 51.122 52.037 -0.109 0.000 0.680 236 A CB 2.036 20.969 19.000 -0.111 0.000 1.279 236 A HN 0.999 nan 8.150 nan 0.000 0.411 237 Q N 0.216 119.967 119.800 -0.083 0.000 2.345 237 Q HA 0.702 5.042 4.340 -0.001 0.000 0.275 237 Q C -1.433 174.522 176.000 -0.075 0.000 1.063 237 Q CA -0.324 55.424 55.803 -0.093 0.000 0.819 237 Q CB 2.486 31.149 28.738 -0.124 0.000 1.356 237 Q HN 0.968 nan 8.270 nan 0.000 0.418 238 T N 2.370 116.883 114.554 -0.068 0.000 2.821 238 T HA 0.588 4.938 4.350 -0.001 0.000 0.306 238 T C -1.532 173.138 174.700 -0.050 0.000 1.313 238 T CA -0.444 61.627 62.100 -0.047 0.000 1.012 238 T CB 1.116 69.974 68.868 -0.018 0.000 1.298 238 T HN 0.522 nan 8.240 nan 0.000 0.502 239 I N 2.716 123.267 120.570 -0.032 0.000 2.339 239 I HA 0.402 4.571 4.170 -0.001 0.000 0.290 239 I C 0.103 176.220 176.117 0.001 0.000 0.994 239 I CA -1.023 60.265 61.300 -0.019 0.000 1.191 239 I CB 1.894 39.887 38.000 -0.012 0.000 1.343 239 I HN 0.332 nan 8.210 nan 0.000 0.458 240 V N 8.715 128.635 119.914 0.010 0.000 2.540 240 V HA 0.033 4.153 4.120 -0.001 0.000 0.297 240 V C -1.938 174.166 176.094 0.016 0.000 1.024 240 V CA -0.959 61.347 62.300 0.009 0.000 1.105 240 V CB -0.050 31.775 31.823 0.004 0.000 0.938 240 V HN 0.581 nan 8.190 nan 0.000 0.482 241 P HA 0.077 nan 4.420 nan 0.000 0.266 241 P C 0.330 177.645 177.300 0.025 0.000 1.195 241 P CA 0.108 63.217 63.100 0.016 0.000 0.768 241 P CB 0.164 31.869 31.700 0.009 0.000 0.838 242 E N 0.187 120.408 120.200 0.035 0.000 2.440 242 E HA -0.223 4.126 4.350 -0.001 0.000 0.246 242 E C 0.081 176.721 176.600 0.066 0.000 1.165 242 E CA 0.861 57.291 56.400 0.050 0.000 0.726 242 E CB -1.858 27.863 29.700 0.036 0.000 1.271 242 E HN 0.556 nan 8.360 nan 0.000 0.397 243 S N -1.331 114.415 115.700 0.076 0.000 2.578 243 S HA 0.031 4.500 4.470 -0.001 0.000 0.231 243 S C 0.264 174.918 174.600 0.091 0.000 0.994 243 S CA -0.348 57.896 58.200 0.074 0.000 0.956 243 S CB 0.164 63.394 63.200 0.051 0.000 0.870 243 S HN 0.446 nan 8.310 nan 0.000 0.494 244 H N 2.177 121.261 119.070 0.023 0.000 3.125 244 H HA 0.384 4.940 4.556 -0.001 0.000 0.310 244 H C 1.563 176.896 175.328 0.010 0.000 0.980 244 H CA 1.628 57.687 56.048 0.017 0.000 1.422 244 H CB -0.171 29.596 29.762 0.008 0.000 1.432 244 H HN 0.443 nan 8.280 nan 0.000 0.577 245 G N 2.612 111.046 108.800 -0.609 0.000 2.184 245 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.264 245 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.264 245 G C 1.316 176.104 174.900 -0.187 0.000 0.975 245 G CA 0.618 45.442 45.100 -0.460 0.000 0.642 245 G HN 1.023 nan 8.290 nan 0.000 0.536 246 A N -0.624 122.155 122.820 -0.069 0.000 1.969 246 A HA 0.475 4.794 4.320 -0.001 0.000 0.218 246 A C 1.160 178.765 177.584 0.035 0.000 1.169 246 A CA 1.520 53.583 52.037 0.043 0.000 0.635 246 A CB -0.012 19.039 19.000 0.085 0.000 0.810 246 A HN 0.948 nan 8.150 nan 0.000 0.445 247 I N 0.109 120.691 120.570 0.020 0.000 2.468 247 I HA 0.346 4.515 4.170 -0.001 0.000 0.284 247 I C -1.143 174.987 176.117 0.022 0.000 1.038 247 I CA -0.245 61.077 61.300 0.035 0.000 1.083 247 I CB 1.764 39.840 38.000 0.126 0.000 1.223 247 I HN 0.203 nan 8.210 nan 0.000 0.443 248 E N 3.971 124.161 120.200 -0.017 0.000 2.367 248 E HA 0.758 5.107 4.350 -0.001 0.000 0.273 248 E C -0.674 175.863 176.600 -0.106 0.000 0.903 248 E CA -1.037 55.330 56.400 -0.054 0.000 0.764 248 E CB 3.221 32.879 29.700 -0.069 0.000 1.252 248 E HN 0.699 nan 8.360 nan 0.000 0.446 249 G N 1.568 110.220 108.800 -0.246 0.000 2.719 249 G HA2 0.475 4.434 3.960 -0.001 0.000 0.298 249 G HA3 0.475 4.434 3.960 -0.001 0.000 0.298 249 G C -1.380 173.302 174.900 -0.362 0.000 1.433 249 G CA -0.450 44.530 45.100 -0.199 0.000 1.034 249 G HN 0.378 nan 8.290 nan 0.000 0.517 250 H N 1.783 120.920 119.070 0.111 0.000 2.589 250 H HA 0.338 4.893 4.556 -0.001 0.000 0.351 250 H C -0.929 174.408 175.328 0.015 0.000 1.074 250 H CA -0.797 55.287 56.048 0.060 0.000 1.203 250 H CB 2.527 32.344 29.762 0.092 0.000 1.558 250 H HN 0.407 nan 8.280 nan 0.000 0.522 251 L N 4.589 125.846 121.223 0.058 0.000 2.342 251 L HA 0.255 4.594 4.340 -0.001 0.000 0.285 251 L C -0.824 176.059 176.870 0.022 0.000 1.095 251 L CA 0.177 55.015 54.840 -0.003 0.000 0.843 251 L CB -0.618 41.350 42.059 -0.152 0.000 1.201 251 L HN 0.435 nan 8.230 nan 0.000 0.445 252 L N 3.273 124.515 121.223 0.032 0.000 2.260 252 L HA 0.465 4.805 4.340 -0.001 0.000 0.265 252 L C 1.170 178.040 176.870 -0.001 0.000 1.015 252 L CA -0.832 54.016 54.840 0.013 0.000 0.826 252 L CB 0.962 43.028 42.059 0.012 0.000 1.373 252 L HN 0.439 nan 8.230 nan 0.000 0.450 253 E N -0.003 120.190 120.200 -0.012 0.000 2.333 253 E HA -0.134 4.215 4.350 -0.001 0.000 0.198 253 E C 1.192 177.784 176.600 -0.014 0.000 1.007 253 E CA 1.279 57.671 56.400 -0.014 0.000 0.845 253 E CB 0.062 29.752 29.700 -0.018 0.000 0.766 253 E HN 0.608 nan 8.360 nan 0.000 0.507 254 S N -0.620 115.064 115.700 -0.026 0.000 2.572 254 S HA 0.428 4.897 4.470 -0.001 0.000 0.228 254 S C 0.761 175.350 174.600 -0.018 0.000 0.963 254 S CA -0.160 58.016 58.200 -0.039 0.000 0.939 254 S CB 0.690 63.830 63.200 -0.100 0.000 0.804 254 S HN 0.340 nan 8.310 nan 0.000 0.480 255 G N 1.056 109.861 108.800 0.009 0.000 2.526 255 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.250 255 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.250 255 G C -1.001 173.925 174.900 0.044 0.000 1.289 255 G CA -0.537 44.587 45.100 0.039 0.000 0.947 255 G HN 0.713 nan 8.290 nan 0.000 0.517 256 L N 1.507 122.771 121.223 0.070 0.000 2.313 256 L HA 0.626 4.965 4.340 -0.001 0.000 0.282 256 L C 1.283 178.183 176.870 0.051 0.000 1.092 256 L CA 0.502 55.392 54.840 0.082 0.000 0.831 256 L CB 0.659 42.790 42.059 0.120 0.000 1.159 256 L HN 1.389 nan 8.230 nan 0.000 0.442 257 S N 4.328 120.048 115.700 0.034 0.000 2.652 257 S HA 0.603 5.072 4.470 -0.001 0.000 0.270 257 S C -0.508 174.064 174.600 -0.047 0.000 1.243 257 S CA -0.555 57.620 58.200 -0.041 0.000 0.999 257 S CB 1.120 64.295 63.200 -0.041 0.000 0.973 257 S HN 0.494 nan 8.310 nan 0.000 0.544 258 F N 1.574 121.316 119.950 -0.347 0.000 2.539 258 F HA 0.479 5.005 4.527 -0.001 0.000 0.318 258 F C -1.024 174.545 175.800 -0.386 0.000 1.135 258 F CA -0.711 57.146 58.000 -0.238 0.000 0.915 258 F CB 1.522 40.540 39.000 0.030 0.000 1.176 258 F HN 0.714 nan 8.300 nan 0.000 0.440 259 H N 7.081 125.825 119.070 -0.543 0.000 2.658 259 H HA 0.573 5.129 4.556 -0.001 0.000 0.337 259 H C -1.599 173.352 175.328 -0.628 0.000 1.009 259 H CA -0.808 54.984 56.048 -0.427 0.000 1.231 259 H CB 2.360 32.029 29.762 -0.155 0.000 1.508 259 H HN 0.663 nan 8.280 nan 0.000 0.517 260 L N 4.016 125.002 121.223 -0.395 0.000 2.441 260 L HA 0.298 4.638 4.340 -0.001 0.000 0.270 260 L C -1.326 175.573 176.870 0.047 0.000 0.973 260 L CA -0.541 54.162 54.840 -0.229 0.000 0.842 260 L CB 1.375 43.266 42.059 -0.280 0.000 1.239 260 L HN 0.566 nan 8.230 nan 0.000 0.406 261 Y N 3.688 123.946 120.300 -0.070 0.000 2.301 261 Y HA 0.169 4.718 4.550 -0.001 0.000 0.328 261 Y C 1.384 177.267 175.900 -0.029 0.000 1.242 261 Y CA -0.288 57.788 58.100 -0.040 0.000 1.323 261 Y CB 1.322 39.758 38.460 -0.039 0.000 1.266 261 Y HN 0.768 nan 8.280 nan 0.000 0.527 262 K N -0.586 119.556 120.400 -0.431 0.000 2.442 262 K HA -0.098 4.221 4.320 -0.001 0.000 0.198 262 K C 1.081 177.480 176.600 -0.335 0.000 1.042 262 K CA 1.569 57.640 56.287 -0.360 0.000 0.958 262 K CB -0.387 31.882 32.500 -0.385 0.000 0.766 262 K HN 0.706 nan 8.250 nan 0.000 0.474 263 T N -1.989 112.331 114.554 -0.391 0.000 3.088 263 T HA 0.041 4.390 4.350 -0.001 0.000 0.259 263 T C 1.901 176.548 174.700 -0.087 0.000 1.122 263 T CA 0.310 62.293 62.100 -0.194 0.000 1.095 263 T CB -0.259 68.557 68.868 -0.087 0.000 0.930 263 T HN 0.006 nan 8.240 nan 0.000 0.508 264 V N 2.988 122.868 119.914 -0.056 0.000 2.250 264 V HA -0.151 3.968 4.120 -0.001 0.000 0.250 264 V C 0.023 176.063 176.094 -0.090 0.000 1.060 264 V CA 2.237 64.514 62.300 -0.039 0.000 1.030 264 V CB -1.609 30.215 31.823 0.001 0.000 0.643 264 V HN 0.404 nan 8.190 nan 0.000 0.445 265 P HA -0.173 nan 4.420 nan 0.000 0.215 265 P C 2.005 179.224 177.300 -0.134 0.000 1.157 265 P CA 2.537 65.561 63.100 -0.126 0.000 0.874 265 P CB -0.318 31.319 31.700 -0.105 0.000 0.790 266 T N -3.057 111.431 114.554 -0.109 0.000 2.857 266 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 266 T C 1.894 176.537 174.700 -0.094 0.000 1.048 266 T CA 0.845 62.887 62.100 -0.097 0.000 1.139 266 T CB -1.310 67.510 68.868 -0.080 0.000 0.874 266 T HN -0.018 nan 8.240 nan 0.000 0.455 267 L N 0.126 121.298 121.223 -0.085 0.000 2.017 267 L HA 0.017 4.357 4.340 -0.001 0.000 0.208 267 L C 2.785 179.590 176.870 -0.109 0.000 1.073 267 L CA 1.419 56.217 54.840 -0.070 0.000 0.745 267 L CB -0.481 41.554 42.059 -0.039 0.000 0.894 267 L HN 0.274 nan 8.230 nan 0.000 0.432 268 I N -0.711 119.754 120.570 -0.175 0.000 2.193 268 I HA -0.262 3.907 4.170 -0.001 0.000 0.240 268 I C 2.787 178.739 176.117 -0.275 0.000 1.084 268 I CA 1.497 62.623 61.300 -0.291 0.000 1.365 268 I CB -0.328 37.355 38.000 -0.527 0.000 1.064 268 I HN 0.332 nan 8.210 nan 0.000 0.410 269 S N 0.949 116.508 115.700 -0.235 0.000 2.382 269 S HA -0.145 4.324 4.470 -0.001 0.000 0.228 269 S C 1.660 176.187 174.600 -0.122 0.000 1.027 269 S CA 1.210 59.301 58.200 -0.182 0.000 0.991 269 S CB -0.538 62.573 63.200 -0.148 0.000 0.823 269 S HN 0.396 nan 8.310 nan 0.000 0.469 270 N N 1.939 120.579 118.700 -0.099 0.000 2.515 270 N HA 0.066 4.805 4.740 -0.001 0.000 0.185 270 N C 1.121 176.599 175.510 -0.053 0.000 1.109 270 N CA 0.454 53.467 53.050 -0.063 0.000 0.903 270 N CB -0.413 38.045 38.487 -0.049 0.000 0.969 270 N HN 0.621 nan 8.380 nan 0.000 0.450 271 N N 0.268 118.923 118.700 -0.074 0.000 2.181 271 N HA 0.122 4.861 4.740 -0.001 0.000 0.207 271 N C 1.321 176.790 175.510 -0.067 0.000 1.182 271 N CA -0.189 52.829 53.050 -0.054 0.000 0.893 271 N CB 0.787 39.246 38.487 -0.047 0.000 1.032 271 N HN 0.119 nan 8.380 nan 0.000 0.513 272 I N 1.248 121.749 120.570 -0.116 0.000 2.454 272 I HA -0.179 3.991 4.170 -0.001 0.000 0.254 272 I C 1.895 177.944 176.117 -0.114 0.000 1.156 272 I CA 1.060 62.264 61.300 -0.160 0.000 1.433 272 I CB 0.145 37.998 38.000 -0.244 0.000 1.082 272 I HN 0.019 nan 8.210 nan 0.000 0.432 273 K N -0.279 120.073 120.400 -0.079 0.000 2.211 273 K HA -0.125 4.195 4.320 -0.001 0.000 0.203 273 K C 1.878 178.467 176.600 -0.020 0.000 1.050 273 K CA 1.716 57.961 56.287 -0.070 0.000 0.945 273 K CB -0.089 32.444 32.500 0.055 0.000 0.732 273 K HN 0.361 nan 8.250 nan 0.000 0.451 274 T N 0.579 115.134 114.554 0.002 0.000 2.777 274 T HA -0.137 4.212 4.350 -0.001 0.000 0.266 274 T C 2.055 176.769 174.700 0.024 0.000 1.040 274 T CA 1.078 63.193 62.100 0.025 0.000 1.141 274 T CB -0.285 68.594 68.868 0.018 0.000 0.868 274 T HN 0.308 nan 8.240 nan 0.000 0.444 275 C N 1.037 120.353 119.300 0.027 0.000 2.440 275 C HA 0.099 4.559 4.460 -0.001 0.000 0.278 275 C C 2.679 177.704 174.990 0.057 0.000 1.295 275 C CA 0.243 59.309 59.018 0.079 0.000 1.738 275 C CB -1.405 26.465 27.740 0.217 0.000 1.987 275 C HN 0.501 nan 8.230 nan 0.000 0.492 276 L N 0.517 121.724 121.223 -0.026 0.000 2.027 276 L HA -0.140 4.199 4.340 -0.001 0.000 0.206 276 L C 2.816 179.688 176.870 0.004 0.000 1.074 276 L CA 1.761 56.478 54.840 -0.205 0.000 0.745 276 L CB -0.750 40.675 42.059 -1.057 0.000 0.898 276 L HN 0.346 nan 8.230 nan 0.000 0.433 277 S N -0.313 115.437 115.700 0.083 0.000 2.356 277 S HA -0.214 4.255 4.470 -0.001 0.000 0.223 277 S C 1.668 176.356 174.600 0.147 0.000 1.032 277 S CA 1.674 60.031 58.200 0.262 0.000 1.005 277 S CB -0.242 63.090 63.200 0.221 0.000 0.867 277 S HN 0.392 nan 8.310 nan 0.000 0.449 278 D N 1.079 121.515 120.400 0.059 0.000 2.178 278 D HA 0.007 4.646 4.640 -0.001 0.000 0.201 278 D C 2.034 178.295 176.300 -0.066 0.000 0.980 278 D CA 1.301 55.301 54.000 0.001 0.000 0.842 278 D CB -0.424 40.368 40.800 -0.014 0.000 0.948 278 D HN 0.514 nan 8.370 nan 0.000 0.472 279 A N -0.691 122.054 122.820 -0.124 0.000 1.984 279 A HA 0.034 4.353 4.320 -0.001 0.000 0.214 279 A C 1.642 178.909 177.584 -0.528 0.000 1.173 279 A CA 0.477 52.291 52.037 -0.372 0.000 0.673 279 A CB -0.342 18.320 19.000 -0.562 0.000 0.830 279 A HN 0.130 nan 8.150 nan 0.000 0.453 280 F N -0.541 119.396 119.950 -0.022 0.000 2.717 280 F HA 0.081 4.608 4.527 -0.001 0.000 0.295 280 F C 2.382 178.182 175.800 0.001 0.000 1.117 280 F CA 1.014 59.014 58.000 0.001 0.000 1.361 280 F CB -0.371 38.740 39.000 0.185 0.000 1.112 280 F HN 0.038 nan 8.300 nan 0.000 0.594 281 T N 1.177 115.837 114.554 0.176 0.000 2.720 281 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 281 T C -0.539 174.170 174.700 0.014 0.000 1.037 281 T CA 1.483 63.641 62.100 0.097 0.000 1.144 281 T CB -1.120 67.799 68.868 0.085 0.000 0.864 281 T HN 0.083 nan 8.240 nan 0.000 0.444 282 P HA 0.095 nan 4.420 nan 0.000 0.225 282 P C 0.894 178.142 177.300 -0.088 0.000 1.148 282 P CA 0.799 63.863 63.100 -0.060 0.000 0.779 282 P CB -0.105 31.544 31.700 -0.086 0.000 0.780 283 L N -1.911 119.242 121.223 -0.116 0.000 2.667 283 L HA 0.219 4.559 4.340 -0.001 0.000 0.232 283 L C 0.501 177.279 176.870 -0.154 0.000 1.138 283 L CA -0.010 54.711 54.840 -0.199 0.000 0.921 283 L CB -0.824 41.011 42.059 -0.372 0.000 1.180 283 L HN 0.063 nan 8.230 nan 0.000 0.487 284 N N 1.300 119.958 118.700 -0.071 0.000 2.735 284 N HA -0.199 4.541 4.740 -0.001 0.000 0.248 284 N C -0.400 175.064 175.510 -0.077 0.000 1.083 284 N CA -0.018 52.998 53.050 -0.057 0.000 0.703 284 N CB -0.432 38.022 38.487 -0.054 0.000 1.005 284 N HN 0.321 nan 8.380 nan 0.000 0.550 285 I N 0.716 121.258 120.570 -0.047 0.000 2.406 285 I HA 0.188 4.357 4.170 -0.001 0.000 0.290 285 I C 0.983 176.995 176.117 -0.176 0.000 0.999 285 I CA -0.320 60.919 61.300 -0.102 0.000 1.124 285 I CB 1.867 39.815 38.000 -0.088 0.000 1.289 285 I HN 0.215 nan 8.210 nan 0.000 0.441 286 S N 1.332 116.773 115.700 -0.432 0.000 2.679 286 S HA 0.101 4.570 4.470 -0.001 0.000 0.258 286 S C 0.140 173.959 174.600 -1.302 0.000 1.068 286 S CA -0.348 57.329 58.200 -0.872 0.000 1.115 286 S CB 0.194 63.120 63.200 -0.457 0.000 1.078 286 S HN 0.613 nan 8.310 nan 0.000 0.603 287 D N 1.378 121.337 120.400 -0.735 0.000 2.393 287 D HA 0.262 4.901 4.640 -0.001 0.000 0.232 287 D C 0.144 176.267 176.300 -0.295 0.000 1.192 287 D CA -0.658 53.038 54.000 -0.506 0.000 0.882 287 D CB 0.047 40.714 40.800 -0.221 0.000 1.038 287 D HN 0.449 nan 8.370 nan 0.000 0.499 288 W N 2.441 123.756 121.300 0.025 0.000 2.525 288 W HA -0.039 4.621 4.660 -0.001 0.000 0.259 288 W C 1.678 178.334 176.519 0.229 0.000 1.253 288 W CA -0.609 56.814 57.345 0.129 0.000 1.262 288 W CB 0.077 29.683 29.460 0.244 0.000 1.122 288 W HN 0.341 nan 8.180 nan 0.000 0.607 289 N N 0.086 118.948 118.700 0.270 0.000 2.422 289 N HA -0.078 4.661 4.740 -0.001 0.000 0.181 289 N C 1.662 177.286 175.510 0.189 0.000 1.080 289 N CA 1.317 54.487 53.050 0.200 0.000 0.893 289 N CB -0.093 38.451 38.487 0.094 0.000 0.973 289 N HN 0.092 nan 8.380 nan 0.000 0.456 290 S N -0.394 115.396 115.700 0.151 0.000 2.603 290 S HA 0.162 4.632 4.470 -0.001 0.000 0.220 290 S C 0.747 175.464 174.600 0.195 0.000 0.967 290 S CA -0.157 58.127 58.200 0.140 0.000 0.920 290 S CB -0.082 63.164 63.200 0.077 0.000 0.773 290 S HN 0.068 nan 8.310 nan 0.000 0.529 291 L N 1.702 123.058 121.223 0.222 0.000 2.334 291 L HA 0.627 4.967 4.340 -0.001 0.000 0.272 291 L C -0.215 176.848 176.870 0.323 0.000 1.020 291 L CA -1.556 53.371 54.840 0.145 0.000 0.812 291 L CB 1.096 43.081 42.059 -0.122 0.000 1.264 291 L HN 0.290 nan 8.230 nan 0.000 0.439 292 F N -1.307 118.781 119.950 0.231 0.000 2.379 292 F HA 0.579 5.106 4.527 -0.001 0.000 0.332 292 F C -0.961 174.982 175.800 0.238 0.000 1.096 292 F CA -1.041 57.118 58.000 0.265 0.000 1.105 292 F CB 0.391 39.508 39.000 0.195 0.000 1.189 292 F HN 0.201 nan 8.300 nan 0.000 0.515 293 W N 3.890 125.318 121.300 0.213 0.000 2.587 293 W HA 0.692 5.351 4.660 -0.001 0.000 0.324 293 W C -1.123 175.472 176.519 0.127 0.000 1.040 293 W CA -0.924 56.491 57.345 0.117 0.000 1.222 293 W CB 1.846 31.384 29.460 0.130 0.000 1.381 293 W HN 0.380 nan 8.180 nan 0.000 0.483 294 I N 4.133 124.830 120.570 0.212 0.000 2.493 294 I HA 0.512 4.681 4.170 -0.001 0.000 0.279 294 I C -0.185 176.006 176.117 0.124 0.000 1.045 294 I CA -0.736 60.638 61.300 0.123 0.000 1.106 294 I CB 0.674 38.653 38.000 -0.036 0.000 1.216 294 I HN 0.446 nan 8.210 nan 0.000 0.459 295 A N 4.066 127.023 122.820 0.228 0.000 2.355 295 A HA 0.528 4.848 4.320 -0.001 0.000 0.317 295 A C -0.755 176.920 177.584 0.151 0.000 1.094 295 A CA -0.590 51.595 52.037 0.247 0.000 0.764 295 A CB 0.704 19.996 19.000 0.486 0.000 1.230 295 A HN 0.742 nan 8.150 nan 0.000 0.448 296 H N 3.863 122.906 119.070 -0.045 0.000 3.091 296 H HA 0.258 4.813 4.556 -0.001 0.000 0.289 296 H C -2.029 173.420 175.328 0.202 0.000 0.995 296 H CA -1.107 54.952 56.048 0.018 0.000 1.461 296 H CB 0.692 30.420 29.762 -0.057 0.000 1.510 296 H HN 0.316 nan 8.280 nan 0.000 0.546 297 P HA 0.095 nan 4.420 nan 0.000 0.231 297 P C 0.923 178.023 177.300 -0.334 0.000 1.811 297 P CA 0.060 63.033 63.100 -0.212 0.000 1.051 297 P CB 0.205 31.826 31.700 -0.132 0.000 1.951 298 G N 1.723 110.409 108.800 -0.189 0.000 2.469 298 G HA2 0.039 3.998 3.960 -0.001 0.000 0.220 298 G HA3 0.039 3.998 3.960 -0.001 0.000 0.220 298 G C 0.711 175.577 174.900 -0.057 0.000 1.136 298 G CA 0.692 45.784 45.100 -0.013 0.000 0.759 298 G HN 0.663 nan 8.290 nan 0.000 0.562 299 G N -1.935 106.826 108.800 -0.065 0.000 2.523 299 G HA2 0.497 4.456 3.960 -0.001 0.000 0.291 299 G HA3 0.497 4.456 3.960 -0.001 0.000 0.291 299 G C -2.186 172.671 174.900 -0.071 0.000 1.450 299 G CA 0.054 45.104 45.100 -0.084 0.000 0.790 299 G HN -0.134 nan 8.290 nan 0.000 0.496 300 P HA -0.069 nan 4.420 nan 0.000 0.217 300 P C 1.893 179.155 177.300 -0.063 0.000 1.150 300 P CA 1.816 64.877 63.100 -0.065 0.000 0.832 300 P CB 0.201 31.860 31.700 -0.069 0.000 0.787 301 A N 0.130 122.910 122.820 -0.068 0.000 1.933 301 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 301 A C 2.385 179.919 177.584 -0.083 0.000 1.175 301 A CA 1.276 53.270 52.037 -0.073 0.000 0.628 301 A CB -1.506 17.450 19.000 -0.074 0.000 0.814 301 A HN 0.126 nan 8.150 nan 0.000 0.444 302 I N -0.261 120.257 120.570 -0.087 0.000 2.226 302 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 302 I C 2.335 178.397 176.117 -0.092 0.000 1.100 302 I CA 1.171 62.401 61.300 -0.117 0.000 1.374 302 I CB -0.358 37.567 38.000 -0.125 0.000 1.057 302 I HN 0.300 nan 8.210 nan 0.000 0.413 303 L N 0.070 121.262 121.223 -0.052 0.000 2.056 303 L HA -0.212 4.127 4.340 -0.001 0.000 0.207 303 L C 2.170 178.997 176.870 -0.072 0.000 1.078 303 L CA 1.188 56.004 54.840 -0.039 0.000 0.749 303 L CB -0.771 41.277 42.059 -0.020 0.000 0.901 303 L HN 0.240 nan 8.230 nan 0.000 0.433 304 D N -0.048 120.310 120.400 -0.071 0.000 2.097 304 D HA -0.186 4.454 4.640 -0.001 0.000 0.195 304 D C 2.342 178.592 176.300 -0.084 0.000 0.989 304 D CA 1.191 55.148 54.000 -0.073 0.000 0.827 304 D CB -0.160 40.602 40.800 -0.064 0.000 0.966 304 D HN 0.365 nan 8.370 nan 0.000 0.456 305 Q N 0.095 119.841 119.800 -0.089 0.000 2.119 305 Q HA -0.070 4.269 4.340 -0.001 0.000 0.201 305 Q C 2.364 178.300 176.000 -0.107 0.000 0.972 305 Q CA 0.663 56.409 55.803 -0.094 0.000 0.847 305 Q CB 0.121 28.799 28.738 -0.100 0.000 0.903 305 Q HN 0.139 nan 8.270 nan 0.000 0.433 306 V N 0.448 120.286 119.914 -0.126 0.000 2.295 306 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 306 V C 2.182 178.170 176.094 -0.176 0.000 1.049 306 V CA 2.149 64.362 62.300 -0.144 0.000 1.024 306 V CB -0.786 30.960 31.823 -0.130 0.000 0.648 306 V HN 0.422 nan 8.190 nan 0.000 0.447 307 T N 0.429 114.872 114.554 -0.184 0.000 2.684 307 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 307 T C 2.036 176.660 174.700 -0.128 0.000 1.036 307 T CA 1.857 63.839 62.100 -0.198 0.000 1.148 307 T CB -0.448 68.326 68.868 -0.156 0.000 0.863 307 T HN 0.578 nan 8.240 nan 0.000 0.436 308 A N 1.593 124.357 122.820 -0.093 0.000 1.873 308 A HA -0.083 4.237 4.320 -0.001 0.000 0.215 308 A C 2.245 179.803 177.584 -0.044 0.000 1.186 308 A CA 1.496 53.496 52.037 -0.062 0.000 0.616 308 A CB -0.369 18.598 19.000 -0.055 0.000 0.823 308 A HN 0.471 nan 8.150 nan 0.000 0.442 309 K N -0.519 119.852 120.400 -0.049 0.000 2.155 309 K HA 0.033 4.352 4.320 -0.001 0.000 0.203 309 K C 1.605 178.211 176.600 0.011 0.000 1.052 309 K CA 1.153 57.426 56.287 -0.024 0.000 0.948 309 K CB -0.118 32.358 32.500 -0.039 0.000 0.728 309 K HN 0.292 nan 8.250 nan 0.000 0.448 310 V N 0.184 120.096 119.914 -0.004 0.000 2.951 310 V HA 0.024 4.143 4.120 -0.001 0.000 0.255 310 V C 1.168 177.344 176.094 0.135 0.000 1.088 310 V CA 1.158 63.505 62.300 0.079 0.000 1.109 310 V CB -0.109 31.714 31.823 0.001 0.000 0.724 310 V HN 0.622 nan 8.190 nan 0.000 0.471 311 G N 0.666 109.487 108.800 0.034 0.000 2.171 311 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.238 311 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.238 311 G C -0.065 174.836 174.900 0.003 0.000 1.039 311 G CA 0.016 45.134 45.100 0.030 0.000 0.759 311 G HN 0.421 nan 8.290 nan 0.000 0.501 312 L N -0.086 121.093 121.223 -0.074 0.000 2.436 312 L HA 0.424 4.764 4.340 -0.001 0.000 0.265 312 L C 1.099 177.914 176.870 -0.092 0.000 1.168 312 L CA -0.661 54.101 54.840 -0.130 0.000 0.815 312 L CB 0.519 42.370 42.059 -0.346 0.000 1.109 312 L HN 0.246 nan 8.230 nan 0.000 0.462 313 E N 1.082 121.243 120.200 -0.065 0.000 2.398 313 E HA -0.039 4.310 4.350 -0.001 0.000 0.263 313 E C 0.419 176.986 176.600 -0.055 0.000 1.046 313 E CA -0.330 56.046 56.400 -0.039 0.000 0.908 313 E CB 0.739 30.433 29.700 -0.011 0.000 0.963 313 E HN 0.324 nan 8.360 nan 0.000 0.431 314 K N 1.489 121.866 120.400 -0.038 0.000 2.089 314 K HA -0.196 4.124 4.320 -0.001 0.000 0.210 314 K C 1.143 177.723 176.600 -0.033 0.000 1.048 314 K CA 1.504 57.768 56.287 -0.038 0.000 0.926 314 K CB 0.052 32.538 32.500 -0.024 0.000 0.714 314 K HN 0.376 nan 8.250 nan 0.000 0.448 315 E N -0.003 120.188 120.200 -0.016 0.000 2.465 315 E HA -0.030 4.319 4.350 -0.001 0.000 0.191 315 E C 1.353 177.959 176.600 0.010 0.000 1.053 315 E CA 0.133 56.534 56.400 0.002 0.000 0.869 315 E CB 0.339 30.050 29.700 0.017 0.000 0.977 315 E HN 0.109 nan 8.360 nan 0.000 0.483 316 K N 1.145 121.533 120.400 -0.021 0.000 2.103 316 K HA -0.067 4.252 4.320 -0.001 0.000 0.207 316 K C 1.431 178.044 176.600 0.022 0.000 1.048 316 K CA 1.016 57.295 56.287 -0.013 0.000 0.930 316 K CB -0.149 32.265 32.500 -0.144 0.000 0.716 316 K HN 0.126 nan 8.250 nan 0.000 0.444 317 L N 0.709 121.920 121.223 -0.020 0.000 2.728 317 L HA 0.172 4.512 4.340 -0.001 0.000 0.235 317 L C 1.753 178.658 176.870 0.059 0.000 1.197 317 L CA -0.160 54.703 54.840 0.039 0.000 0.992 317 L CB -0.095 41.960 42.059 -0.007 0.000 1.263 317 L HN 0.195 nan 8.230 nan 0.000 0.484 318 K N 0.741 121.175 120.400 0.058 0.000 2.059 318 K HA -0.196 4.123 4.320 -0.001 0.000 0.212 318 K C 1.843 178.490 176.600 0.077 0.000 1.050 318 K CA 1.863 58.184 56.287 0.058 0.000 0.927 318 K CB 0.039 32.573 32.500 0.057 0.000 0.714 318 K HN 0.194 nan 8.250 nan 0.000 0.447 319 V N 0.786 120.761 119.914 0.103 0.000 2.358 319 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 319 V C 2.264 178.428 176.094 0.118 0.000 1.047 319 V CA 2.267 64.636 62.300 0.116 0.000 1.035 319 V CB -0.697 31.206 31.823 0.133 0.000 0.658 319 V HN 0.473 nan 8.190 nan 0.000 0.452 320 T N -0.094 114.532 114.554 0.119 0.000 2.684 320 T HA -0.224 4.126 4.350 -0.001 0.000 0.267 320 T C 2.074 176.820 174.700 0.077 0.000 1.036 320 T CA 1.723 63.887 62.100 0.106 0.000 1.148 320 T CB -0.265 68.677 68.868 0.124 0.000 0.863 320 T HN 0.434 nan 8.240 nan 0.000 0.436 321 R N 0.541 121.077 120.500 0.061 0.000 2.120 321 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 321 R C 2.632 178.960 176.300 0.046 0.000 1.123 321 R CA 1.139 57.261 56.100 0.037 0.000 0.975 321 R CB -0.221 30.092 30.300 0.022 0.000 0.866 321 R HN 0.281 nan 8.270 nan 0.000 0.446 322 Q N 0.737 120.579 119.800 0.070 0.000 2.119 322 Q HA -0.084 4.255 4.340 -0.001 0.000 0.201 322 Q C 1.924 177.997 176.000 0.121 0.000 0.972 322 Q CA 1.433 57.285 55.803 0.082 0.000 0.847 322 Q CB -0.047 28.747 28.738 0.095 0.000 0.903 322 Q HN 0.109 nan 8.270 nan 0.000 0.433 323 V N 0.475 120.486 119.914 0.163 0.000 2.358 323 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 323 V C 2.202 178.413 176.094 0.194 0.000 1.047 323 V CA 1.502 63.959 62.300 0.261 0.000 1.035 323 V CB -0.654 31.296 31.823 0.212 0.000 0.658 323 V HN 0.426 nan 8.190 nan 0.000 0.452 324 L N 0.509 121.781 121.223 0.082 0.000 2.042 324 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 324 L C 2.401 179.271 176.870 -0.000 0.000 1.076 324 L CA 2.218 57.068 54.840 0.017 0.000 0.749 324 L CB -0.768 41.278 42.059 -0.022 0.000 0.893 324 L HN 0.258 nan 8.230 nan 0.000 0.432 325 K N -0.903 119.500 120.400 0.004 0.000 2.057 325 K HA -0.177 4.142 4.320 -0.001 0.000 0.207 325 K C 1.453 178.007 176.600 -0.078 0.000 1.049 325 K CA 1.800 58.068 56.287 -0.032 0.000 0.931 325 K CB -0.108 32.384 32.500 -0.014 0.000 0.714 325 K HN 0.399 nan 8.250 nan 0.000 0.440 326 D N -1.162 119.192 120.400 -0.077 0.000 2.323 326 D HA -0.053 4.586 4.640 -0.001 0.000 0.209 326 D C 0.598 176.592 176.300 -0.509 0.000 0.973 326 D CA 0.947 54.770 54.000 -0.296 0.000 0.874 326 D CB 0.311 40.895 40.800 -0.361 0.000 0.930 326 D HN 0.357 nan 8.370 nan 0.000 0.521 327 Y N -0.834 119.451 120.300 -0.026 0.000 2.515 327 Y HA 0.344 4.893 4.550 -0.001 0.000 0.267 327 Y C 1.395 177.232 175.900 -0.106 0.000 1.058 327 Y CA 0.029 58.105 58.100 -0.040 0.000 1.231 327 Y CB 0.933 39.304 38.460 -0.150 0.000 1.350 327 Y HN -0.040 nan 8.280 nan 0.000 0.554 328 G N 1.709 110.520 108.800 0.018 0.000 2.741 328 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.222 328 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.222 328 G C -0.740 174.143 174.900 -0.029 0.000 1.364 328 G CA -0.400 44.670 45.100 -0.050 0.000 0.866 328 G HN 0.261 nan 8.290 nan 0.000 0.555 329 N N 0.502 119.184 118.700 -0.030 0.000 2.415 329 N HA 0.417 5.156 4.740 -0.001 0.000 0.246 329 N C 0.949 176.566 175.510 0.179 0.000 1.078 329 N CA -0.210 52.870 53.050 0.050 0.000 0.942 329 N CB 0.186 38.689 38.487 0.027 0.000 1.140 329 N HN 0.480 nan 8.380 nan 0.000 0.501 330 M N 2.358 122.013 119.600 0.091 0.000 2.738 330 M HA 0.084 4.564 4.480 -0.001 0.000 0.295 330 M C 0.923 177.272 176.300 0.081 0.000 1.266 330 M CA -0.270 55.056 55.300 0.042 0.000 0.985 330 M CB -0.380 32.136 32.600 -0.139 0.000 1.365 330 M HN 0.668 nan 8.290 nan 0.000 0.492 331 S N 0.985 116.798 115.700 0.189 0.000 3.736 331 S HA -0.299 4.171 4.470 -0.001 0.000 0.627 331 S C 1.462 176.058 174.600 -0.006 0.000 2.426 331 S CA 1.922 60.163 58.200 0.068 0.000 4.022 331 S CB -1.234 61.898 63.200 -0.114 0.000 0.237 331 S HN 0.753 nan 8.310 nan 0.000 0.967 332 S N 1.506 117.148 115.700 -0.097 0.000 2.419 332 S HA 0.049 4.518 4.470 -0.001 0.000 0.235 332 S C 1.951 176.609 174.600 0.096 0.000 1.019 332 S CA 1.882 60.037 58.200 -0.074 0.000 0.982 332 S CB -0.971 62.182 63.200 -0.079 0.000 0.789 332 S HN 1.616 nan 8.310 nan 0.000 0.490 333 A N 1.598 124.516 122.820 0.162 0.000 2.067 333 A HA 0.078 4.397 4.320 -0.001 0.000 0.217 333 A C 2.312 180.115 177.584 0.365 0.000 1.156 333 A CA 1.510 53.755 52.037 0.346 0.000 0.683 333 A CB -1.430 17.756 19.000 0.311 0.000 0.808 333 A HN 0.585 nan 8.150 nan 0.000 0.455 334 T N 0.769 115.429 114.554 0.177 0.000 2.624 334 T HA -0.233 4.116 4.350 -0.001 0.000 0.268 334 T C 1.947 176.716 174.700 0.115 0.000 1.041 334 T CA 2.350 64.522 62.100 0.121 0.000 1.159 334 T CB -1.184 67.769 68.868 0.142 0.000 0.863 334 T HN 0.731 nan 8.240 nan 0.000 0.434 335 V N -0.597 119.293 119.914 -0.041 0.000 2.568 335 V HA -0.120 4.000 4.120 -0.001 0.000 0.253 335 V C 2.074 178.004 176.094 -0.274 0.000 1.072 335 V CA 1.524 63.692 62.300 -0.220 0.000 1.084 335 V CB -1.497 30.065 31.823 -0.435 0.000 0.676 335 V HN 0.433 nan 8.190 nan 0.000 0.469 336 F N -0.597 119.411 119.950 0.096 0.000 2.293 336 F HA 0.182 4.708 4.527 -0.001 0.000 0.297 336 F C 2.106 177.923 175.800 0.028 0.000 1.089 336 F CA 1.295 59.316 58.000 0.035 0.000 1.377 336 F CB -0.504 38.492 39.000 -0.007 0.000 1.051 336 F HN 0.072 nan 8.300 nan 0.000 0.511 337 F N 0.370 120.358 119.950 0.063 0.000 2.186 337 F HA -0.176 4.350 4.527 -0.001 0.000 0.299 337 F C 2.234 178.039 175.800 0.009 0.000 1.090 337 F CA 1.181 59.160 58.000 -0.036 0.000 1.307 337 F CB -0.491 38.393 39.000 -0.195 0.000 1.019 337 F HN -0.114 nan 8.300 nan 0.000 0.489 338 I N -0.634 120.058 120.570 0.204 0.000 2.252 338 I HA -0.339 3.830 4.170 -0.001 0.000 0.245 338 I C 2.527 178.709 176.117 0.108 0.000 1.102 338 I CA 1.277 62.660 61.300 0.138 0.000 1.385 338 I CB -0.409 37.646 38.000 0.092 0.000 1.064 338 I HN 0.187 nan 8.210 nan 0.000 0.414 339 M N 0.651 120.292 119.600 0.069 0.000 2.108 339 M HA -0.273 4.207 4.480 -0.001 0.000 0.261 339 M C 1.948 178.361 176.300 0.188 0.000 1.066 339 M CA 2.064 57.405 55.300 0.068 0.000 1.107 339 M CB -0.238 32.387 32.600 0.042 0.000 1.356 339 M HN 0.153 nan 8.290 nan 0.000 0.406 340 D N 0.079 120.561 120.400 0.137 0.000 2.097 340 D HA -0.230 4.410 4.640 -0.001 0.000 0.195 340 D C 1.823 178.183 176.300 0.100 0.000 0.989 340 D CA 1.700 55.755 54.000 0.093 0.000 0.827 340 D CB -0.122 40.667 40.800 -0.019 0.000 0.966 340 D HN 0.430 nan 8.370 nan 0.000 0.456 341 E N -0.251 120.017 120.200 0.114 0.000 2.150 341 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 341 E C 2.218 178.889 176.600 0.118 0.000 0.985 341 E CA 0.776 57.249 56.400 0.122 0.000 0.814 341 E CB -0.388 29.407 29.700 0.159 0.000 0.752 341 E HN 0.373 nan 8.360 nan 0.000 0.466 342 M N 0.344 120.027 119.600 0.138 0.000 2.117 342 M HA -0.195 4.284 4.480 -0.001 0.000 0.262 342 M C 1.892 178.262 176.300 0.117 0.000 1.065 342 M CA 2.090 57.473 55.300 0.138 0.000 1.114 342 M CB -0.075 32.624 32.600 0.166 0.000 1.361 342 M HN 0.064 nan 8.290 nan 0.000 0.408 343 R N 0.148 120.733 120.500 0.140 0.000 2.148 343 R HA -0.054 4.285 4.340 -0.001 0.000 0.223 343 R C 1.956 178.260 176.300 0.008 0.000 1.088 343 R CA 1.586 57.705 56.100 0.032 0.000 0.985 343 R CB -0.939 29.347 30.300 -0.024 0.000 0.880 343 R HN 0.396 nan 8.270 nan 0.000 0.451 344 K N 1.283 121.706 120.400 0.039 0.000 2.031 344 K HA -0.034 4.285 4.320 -0.001 0.000 0.205 344 K C 1.609 178.226 176.600 0.029 0.000 1.049 344 K CA 1.274 57.578 56.287 0.029 0.000 0.939 344 K CB 0.058 32.585 32.500 0.045 0.000 0.717 344 K HN 0.179 nan 8.250 nan 0.000 0.438 345 K N 0.223 120.650 120.400 0.045 0.000 2.057 345 K HA -0.052 4.267 4.320 -0.001 0.000 0.206 345 K C 2.192 178.807 176.600 0.025 0.000 1.050 345 K CA 1.508 57.820 56.287 0.042 0.000 0.935 345 K CB -0.029 32.507 32.500 0.059 0.000 0.715 345 K HN 0.057 nan 8.250 nan 0.000 0.439 346 S N 1.572 117.282 115.700 0.015 0.000 2.370 346 S HA -0.158 4.311 4.470 -0.001 0.000 0.226 346 S C 1.839 176.429 174.600 -0.017 0.000 1.033 346 S CA 1.136 59.332 58.200 -0.008 0.000 1.011 346 S CB -0.233 62.943 63.200 -0.040 0.000 0.852 346 S HN 0.200 nan 8.310 nan 0.000 0.457 347 L N 1.970 123.181 121.223 -0.020 0.000 2.027 347 L HA -0.046 4.294 4.340 -0.001 0.000 0.206 347 L C 2.050 178.915 176.870 -0.008 0.000 1.074 347 L CA 1.823 56.650 54.840 -0.022 0.000 0.745 347 L CB -0.707 41.338 42.059 -0.023 0.000 0.898 347 L HN 0.229 nan 8.230 nan 0.000 0.433 348 E N -0.420 119.782 120.200 0.003 0.000 2.153 348 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 348 E C 1.458 178.063 176.600 0.009 0.000 0.988 348 E CA 1.434 57.839 56.400 0.009 0.000 0.811 348 E CB -0.287 29.424 29.700 0.017 0.000 0.746 348 E HN 0.671 nan 8.360 nan 0.000 0.466 349 N N -0.284 118.422 118.700 0.010 0.000 2.383 349 N HA 0.036 4.775 4.740 -0.001 0.000 0.192 349 N C 0.522 176.036 175.510 0.006 0.000 1.141 349 N CA 0.138 53.196 53.050 0.012 0.000 0.851 349 N CB 0.679 39.177 38.487 0.019 0.000 0.976 349 N HN 0.151 nan 8.380 nan 0.000 0.465 350 G N 1.356 110.156 108.800 -0.000 0.000 2.249 350 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.273 350 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.273 350 G C -0.129 174.767 174.900 -0.007 0.000 1.036 350 G CA 0.224 45.321 45.100 -0.005 0.000 0.824 350 G HN 0.391 nan 8.290 nan 0.000 0.504 351 Q N -1.115 118.679 119.800 -0.010 0.000 2.312 351 Q HA 0.649 4.988 4.340 -0.001 0.000 0.236 351 Q C 1.661 177.644 176.000 -0.028 0.000 0.965 351 Q CA -0.100 55.695 55.803 -0.013 0.000 0.894 351 Q CB 1.056 29.789 28.738 -0.008 0.000 1.225 351 Q HN 0.478 nan 8.270 nan 0.000 0.478 352 A N 1.042 123.846 122.820 -0.026 0.000 2.066 352 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 352 A C 0.912 178.457 177.584 -0.065 0.000 1.157 352 A CA 1.541 53.556 52.037 -0.038 0.000 0.670 352 A CB -0.143 18.843 19.000 -0.024 0.000 0.804 352 A HN 0.752 nan 8.150 nan 0.000 0.453 353 T N -5.423 109.081 114.554 -0.083 0.000 2.901 353 T HA 0.402 4.752 4.350 -0.001 0.000 0.293 353 T C 0.769 175.353 174.700 -0.193 0.000 1.084 353 T CA 0.295 62.311 62.100 -0.140 0.000 1.008 353 T CB 1.174 69.961 68.868 -0.135 0.000 1.170 353 T HN 0.307 nan 8.240 nan 0.000 0.509 354 T N -2.002 112.365 114.554 -0.312 0.000 3.051 354 T HA 0.167 4.516 4.350 -0.001 0.000 0.269 354 T C 1.422 175.931 174.700 -0.319 0.000 1.127 354 T CA 0.674 62.538 62.100 -0.394 0.000 1.107 354 T CB -0.606 67.781 68.868 -0.801 0.000 0.898 354 T HN 1.015 nan 8.240 nan 0.000 0.517 355 G N 0.903 109.444 108.800 -0.431 0.000 4.420 355 G HA2 0.434 4.393 3.960 -0.001 0.000 0.299 355 G HA3 0.434 4.393 3.960 -0.001 0.000 0.299 355 G C -0.142 174.585 174.900 -0.288 0.000 1.343 355 G CA -0.729 43.893 45.100 -0.797 0.000 1.272 355 G HN 0.503 nan 8.290 nan 0.000 0.610 356 E N -1.049 119.088 120.200 -0.105 0.000 2.586 356 E HA -0.280 4.070 4.350 -0.001 0.000 0.259 356 E C 1.566 178.182 176.600 0.026 0.000 1.107 356 E CA 0.599 57.004 56.400 0.009 0.000 0.754 356 E CB -1.361 28.393 29.700 0.091 0.000 1.335 356 E HN 1.243 nan 8.360 nan 0.000 0.411 357 G N -0.831 107.960 108.800 -0.015 0.000 2.225 357 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.254 357 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.254 357 G C 0.356 175.285 174.900 0.048 0.000 0.988 357 G CA 0.466 45.572 45.100 0.009 0.000 0.625 357 G HN 0.252 nan 8.290 nan 0.000 0.527 358 L N 0.321 121.609 121.223 0.108 0.000 2.421 358 L HA 0.506 4.845 4.340 -0.001 0.000 0.263 358 L C 1.618 178.619 176.870 0.219 0.000 1.122 358 L CA -0.097 54.872 54.840 0.215 0.000 0.804 358 L CB 1.112 43.396 42.059 0.376 0.000 1.150 358 L HN 0.295 nan 8.230 nan 0.000 0.457 359 E N 1.138 121.445 120.200 0.177 0.000 2.042 359 E HA -0.041 4.309 4.350 -0.001 0.000 0.189 359 E C -0.399 176.181 176.600 -0.034 0.000 0.974 359 E CA 0.545 56.921 56.400 -0.039 0.000 0.806 359 E CB 0.208 29.770 29.700 -0.231 0.000 0.769 359 E HN 0.493 nan 8.360 nan 0.000 0.451 360 W N -0.313 121.156 121.300 0.282 0.000 2.516 360 W HA 0.624 5.283 4.660 -0.001 0.000 0.343 360 W C 0.284 176.589 176.519 -0.356 0.000 1.094 360 W CA -0.430 56.987 57.345 0.119 0.000 1.250 360 W CB 1.667 31.195 29.460 0.113 0.000 1.308 360 W HN 0.073 nan 8.180 nan 0.000 0.588 361 G N -0.123 108.328 108.800 -0.583 0.000 2.682 361 G HA2 0.606 4.566 3.960 -0.001 0.000 0.290 361 G HA3 0.606 4.566 3.960 -0.001 0.000 0.290 361 G C -2.233 172.276 174.900 -0.651 0.000 1.425 361 G CA -0.824 43.377 45.100 -1.498 0.000 0.807 361 G HN 0.552 nan 8.290 nan 0.000 0.482 362 V N -0.089 119.381 119.914 -0.741 0.000 2.841 362 V HA 0.819 4.938 4.120 -0.001 0.000 0.310 362 V C -1.367 174.329 176.094 -0.663 0.000 1.090 362 V CA -0.895 61.011 62.300 -0.656 0.000 0.930 362 V CB 1.772 33.096 31.823 -0.833 0.000 1.014 362 V HN 0.891 nan 8.190 nan 0.000 0.425 363 L N 6.116 126.956 121.223 -0.639 0.000 2.356 363 L HA 0.712 5.052 4.340 -0.001 0.000 0.277 363 L C -1.702 174.803 176.870 -0.608 0.000 0.996 363 L CA -0.283 54.271 54.840 -0.476 0.000 0.822 363 L CB 1.559 43.400 42.059 -0.362 0.000 1.256 363 L HN 0.668 nan 8.230 nan 0.000 0.413 364 F N 2.771 122.522 119.950 -0.332 0.000 2.482 364 F HA 0.685 5.212 4.527 -0.001 0.000 0.331 364 F C 0.716 176.107 175.800 -0.681 0.000 1.115 364 F CA -0.666 57.037 58.000 -0.496 0.000 0.955 364 F CB 2.230 40.896 39.000 -0.557 0.000 1.136 364 F HN 0.492 nan 8.300 nan 0.000 0.452 365 G N 2.975 111.541 108.800 -0.391 0.000 2.470 365 G HA2 0.662 4.621 3.960 -0.001 0.000 0.320 365 G HA3 0.662 4.621 3.960 -0.001 0.000 0.320 365 G C -1.800 172.927 174.900 -0.288 0.000 1.245 365 G CA -0.360 44.536 45.100 -0.339 0.000 0.935 365 G HN 0.333 nan 8.290 nan 0.000 0.476 366 F N 0.858 120.907 119.950 0.164 0.000 2.540 366 F HA 0.863 5.389 4.527 -0.001 0.000 0.317 366 F C 0.669 176.594 175.800 0.208 0.000 1.104 366 F CA -0.782 57.331 58.000 0.189 0.000 0.913 366 F CB 2.540 41.661 39.000 0.202 0.000 1.170 366 F HN 0.833 nan 8.300 nan 0.000 0.450 367 G N 1.255 110.341 108.800 0.476 0.000 2.490 367 G HA2 0.515 4.474 3.960 -0.001 0.000 0.308 367 G HA3 0.515 4.474 3.960 -0.001 0.000 0.308 367 G C -3.373 171.771 174.900 0.406 0.000 1.286 367 G CA -1.318 44.056 45.100 0.456 0.000 0.825 367 G HN 0.229 nan 8.290 nan 0.000 0.479 368 P HA 0.285 nan 4.420 nan 0.000 0.261 368 P C 0.756 178.182 177.300 0.209 0.000 1.173 368 P CA 1.992 65.254 63.100 0.270 0.000 0.760 368 P CB 0.955 32.813 31.700 0.263 0.000 0.783 369 G N 3.033 111.907 108.800 0.123 0.000 4.399 369 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.158 369 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.158 369 G C -0.234 174.710 174.900 0.074 0.000 1.911 369 G CA -0.454 44.690 45.100 0.073 0.000 0.926 369 G HN 0.437 nan 8.290 nan 0.000 0.292 370 I N 3.021 123.629 120.570 0.064 0.000 2.533 370 I HA 0.333 4.503 4.170 -0.001 0.000 0.284 370 I C 0.100 176.239 176.117 0.037 0.000 1.109 370 I CA 0.423 61.766 61.300 0.072 0.000 1.412 370 I CB 1.306 39.343 38.000 0.062 0.000 1.396 370 I HN 0.110 nan 8.210 nan 0.000 0.543 371 T N 6.202 120.766 114.554 0.017 0.000 2.829 371 T HA 0.468 4.817 4.350 -0.001 0.000 0.282 371 T C -0.263 174.438 174.700 0.003 0.000 0.990 371 T CA -0.437 61.581 62.100 -0.137 0.000 1.028 371 T CB 1.653 70.147 68.868 -0.622 0.000 0.951 371 T HN 0.214 nan 8.240 nan 0.000 0.460 372 V N 3.838 123.761 119.914 0.016 0.000 2.444 372 V HA 0.379 4.498 4.120 -0.001 0.000 0.294 372 V C -0.230 175.897 176.094 0.054 0.000 1.022 372 V CA -0.871 61.527 62.300 0.163 0.000 0.850 372 V CB 1.806 33.775 31.823 0.243 0.000 0.992 372 V HN 0.790 nan 8.190 nan 0.000 0.426 373 E N 2.590 122.812 120.200 0.037 0.000 2.156 373 E HA 0.473 4.822 4.350 -0.001 0.000 0.279 373 E C -0.698 175.871 176.600 -0.052 0.000 0.965 373 E CA -0.332 56.045 56.400 -0.039 0.000 0.789 373 E CB 2.152 31.821 29.700 -0.052 0.000 1.098 373 E HN 0.603 nan 8.360 nan 0.000 0.397 374 T N 2.036 116.519 114.554 -0.120 0.000 2.791 374 T HA 0.349 4.698 4.350 -0.001 0.000 0.288 374 T C -0.265 174.222 174.700 -0.355 0.000 0.999 374 T CA -0.511 61.402 62.100 -0.312 0.000 0.952 374 T CB 1.066 69.808 68.868 -0.211 0.000 0.938 374 T HN 0.077 nan 8.240 nan 0.000 0.444 375 V N 4.278 123.927 119.914 -0.443 0.000 2.409 375 V HA 0.372 4.491 4.120 -0.001 0.000 0.291 375 V C 0.126 175.995 176.094 -0.375 0.000 1.020 375 V CA -0.854 61.245 62.300 -0.336 0.000 0.848 375 V CB 1.756 33.425 31.823 -0.256 0.000 0.990 375 V HN 0.690 nan 8.190 nan 0.000 0.430 376 V N 7.012 126.729 119.914 -0.329 0.000 2.530 376 V HA 0.409 4.528 4.120 -0.001 0.000 0.282 376 V C 0.095 176.134 176.094 -0.091 0.000 1.048 376 V CA -0.068 62.062 62.300 -0.285 0.000 0.997 376 V CB 1.197 32.774 31.823 -0.410 0.000 0.987 376 V HN 0.613 nan 8.190 nan 0.000 0.477 377 L N 4.982 126.186 121.223 -0.032 0.000 2.319 377 L HA 0.746 5.085 4.340 -0.001 0.000 0.267 377 L C -0.194 176.824 176.870 0.247 0.000 1.011 377 L CA -0.900 53.994 54.840 0.090 0.000 0.818 377 L CB 2.125 44.214 42.059 0.050 0.000 1.316 377 L HN 0.539 nan 8.230 nan 0.000 0.432 378 R N 0.370 121.048 120.500 0.297 0.000 2.575 378 R HA 0.460 4.799 4.340 -0.001 0.000 0.293 378 R C -0.439 176.052 176.300 0.318 0.000 0.983 378 R CA -0.355 55.834 56.100 0.148 0.000 0.887 378 R CB 1.949 32.143 30.300 -0.177 0.000 1.184 378 R HN 0.836 nan 8.270 nan 0.000 0.445 379 S N 1.618 117.493 115.700 0.292 0.000 2.641 379 S HA 0.476 4.945 4.470 -0.001 0.000 0.261 379 S C -0.116 174.403 174.600 -0.135 0.000 1.257 379 S CA -0.630 57.590 58.200 0.034 0.000 0.983 379 S CB 1.346 64.460 63.200 -0.143 0.000 0.990 379 S HN 0.277 nan 8.310 nan 0.000 0.572 380 V N 1.810 121.560 119.914 -0.273 0.000 2.823 380 V HA 0.487 4.606 4.120 -0.001 0.000 0.312 380 V C -2.548 173.426 176.094 -0.201 0.000 1.072 380 V CA -2.227 59.945 62.300 -0.214 0.000 0.937 380 V CB 1.695 33.377 31.823 -0.235 0.000 1.013 380 V HN 0.768 nan 8.190 nan 0.000 0.430 381 P HA 0.176 nan 4.420 nan 0.000 0.267 381 P C -0.566 176.663 177.300 -0.117 0.000 1.200 381 P CA 0.263 63.295 63.100 -0.112 0.000 0.772 381 P CB 0.592 32.244 31.700 -0.080 0.000 0.855 382 V N 0.000 119.853 119.914 -0.101 0.000 2.409 382 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 382 V CA 0.000 62.245 62.300 -0.091 0.000 1.235 382 V CB 0.000 31.770 31.823 -0.088 0.000 1.184 382 V HN 0.000 nan 8.190 nan 0.000 0.556