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 1ky4_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPYKVADIGL AAWGRKALDI AENEMPGLMR MREMYSASKP LKGARIAGCL DATA SEQUENCE HMTVETAVLI ETLVALGAEV RWSSCNIFST QDHAAAAIAK AGIPVFAWKG DATA SEQUENCE ETDEEYLWCI EQTLHFKDGP LNMILDDGGD LTNLIHTKHP QLLSGIRGIS DATA SEQUENCE EETTTGVHNL YKMMANGILK VPAINVNDSV TKSKFDNLYG CRESLIDGIK DATA SEQUENCE RATDVMIAGK VAVVAGYGDV GKGCAQALRG FGARVIITEI DPINALQAAM DATA SEQUENCE EGYEVTTMDE ACKEGNIFVT TTGCVDIILG RHFEQMKDDA IVCNIGHFDV DATA SEQUENCE EIDVKWLNEN AVEKVNIKPQ VDRYLLKNGH RIILLAEGRL VNLGCAMGHP DATA SEQUENCE SFVMSNSFTN QVMAQIELWT HPDKYPVGVH FLPKKLDEAV AEAHLGKLNV DATA SEQUENCE KLTKLTEKQA QYLGMPINGP FKPDHYRY 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.921 176.870 0.085 0.000 1.165 4 L CA 0.000 54.907 54.840 0.111 0.000 0.813 4 L CB 0.000 42.245 42.059 0.311 0.000 0.961 5 P HA 0.052 nan 4.420 nan 0.000 0.221 5 P C -0.794 176.394 177.300 -0.187 0.000 1.155 5 P CA 1.009 63.993 63.100 -0.194 0.000 0.812 5 P CB 0.395 31.858 31.700 -0.396 0.000 0.801 6 Y N -4.170 116.072 120.300 -0.096 0.000 2.851 6 Y HA 0.695 5.247 4.550 0.003 0.000 0.359 6 Y C -1.275 174.607 175.900 -0.029 0.000 1.231 6 Y CA -2.097 55.734 58.100 -0.448 0.000 1.106 6 Y CB 0.071 38.309 38.460 -0.370 0.000 1.409 6 Y HN -0.428 nan 8.280 nan 0.000 0.454 7 K N 1.986 122.631 120.400 0.408 0.000 2.690 7 K HA 0.666 4.987 4.320 0.003 0.000 0.243 7 K C -1.917 175.025 176.600 0.570 0.000 0.982 7 K CA -0.340 56.322 56.287 0.624 0.000 0.955 7 K CB 1.859 35.001 32.500 1.070 0.000 1.185 7 K HN 0.686 nan 8.250 nan 0.000 0.467 8 V N 1.924 122.051 119.914 0.355 0.000 2.815 8 V HA 0.416 4.538 4.120 0.003 0.000 0.314 8 V C 1.289 177.474 176.094 0.152 0.000 1.064 8 V CA -0.372 62.079 62.300 0.251 0.000 0.952 8 V CB 1.805 33.639 31.823 0.018 0.000 1.020 8 V HN 0.784 nan 8.190 nan 0.000 0.439 9 A N 1.859 124.790 122.820 0.184 0.000 1.858 9 A HA -0.043 4.278 4.320 0.003 0.000 0.216 9 A C 0.811 178.429 177.584 0.058 0.000 1.190 9 A CA 2.147 54.233 52.037 0.082 0.000 0.617 9 A CB -0.174 18.931 19.000 0.176 0.000 0.827 9 A HN 0.852 nan 8.150 nan 0.000 0.443 10 D N -2.323 118.130 120.400 0.088 0.000 2.478 10 D HA 0.302 4.944 4.640 0.003 0.000 0.240 10 D C -0.191 176.150 176.300 0.069 0.000 1.364 10 D CA -0.557 53.490 54.000 0.079 0.000 0.987 10 D CB 0.694 41.553 40.800 0.099 0.000 1.328 10 D HN 0.011 nan 8.370 nan 0.000 0.584 11 I N 2.846 123.444 120.570 0.046 0.000 3.444 11 I HA 0.208 4.380 4.170 0.003 0.000 0.287 11 I C 1.819 177.961 176.117 0.041 0.000 1.302 11 I CA 0.809 62.113 61.300 0.007 0.000 1.368 11 I CB 0.208 38.207 38.000 -0.001 0.000 1.048 11 I HN 0.556 nan 8.210 nan 0.000 0.487 12 G N -0.096 108.746 108.800 0.070 0.000 2.650 12 G HA2 -0.093 3.869 3.960 0.003 0.000 0.214 12 G HA3 -0.093 3.869 3.960 0.003 0.000 0.214 12 G C 1.263 176.238 174.900 0.125 0.000 1.136 12 G CA 0.098 45.246 45.100 0.081 0.000 0.789 12 G HN 0.295 nan 8.290 nan 0.000 0.536 13 L N 0.898 122.216 121.223 0.158 0.000 2.418 13 L HA 0.319 4.661 4.340 0.003 0.000 0.218 13 L C 2.968 179.967 176.870 0.215 0.000 1.125 13 L CA 0.592 55.600 54.840 0.280 0.000 0.835 13 L CB -0.819 41.425 42.059 0.307 0.000 0.953 13 L HN 0.246 nan 8.230 nan 0.000 0.454 14 A N 0.357 123.231 122.820 0.090 0.000 1.896 14 A HA -0.324 3.997 4.320 0.003 0.000 0.220 14 A C 2.521 180.140 177.584 0.058 0.000 1.206 14 A CA 2.374 54.425 52.037 0.022 0.000 0.647 14 A CB -0.933 18.058 19.000 -0.014 0.000 0.828 14 A HN 0.396 nan 8.150 nan 0.000 0.455 15 A N -2.214 120.670 122.820 0.106 0.000 1.978 15 A HA -0.168 4.153 4.320 0.003 0.000 0.220 15 A C 1.926 179.635 177.584 0.208 0.000 1.170 15 A CA 1.810 53.920 52.037 0.122 0.000 0.636 15 A CB -0.762 18.304 19.000 0.111 0.000 0.810 15 A HN 1.044 nan 8.150 nan 0.000 0.448 16 W N 0.678 122.016 121.300 0.063 0.000 2.658 16 W HA 0.192 4.853 4.660 0.002 0.000 0.263 16 W C 1.869 178.506 176.519 0.197 0.000 1.274 16 W CA 0.564 57.971 57.345 0.104 0.000 1.343 16 W CB -0.604 28.909 29.460 0.088 0.000 1.106 16 W HN 0.162 nan 8.180 nan 0.000 0.615 17 G N 0.860 109.648 108.800 -0.019 0.000 2.394 17 G HA2 -0.265 3.697 3.960 0.003 0.000 0.214 17 G HA3 -0.265 3.697 3.960 0.003 0.000 0.214 17 G C 1.572 176.356 174.900 -0.193 0.000 1.176 17 G CA 1.006 45.910 45.100 -0.326 0.000 0.786 17 G HN 0.191 nan 8.290 nan 0.000 0.533 18 R N 1.240 121.692 120.500 -0.080 0.000 2.103 18 R HA -0.089 4.252 4.340 0.003 0.000 0.242 18 R C 2.489 178.781 176.300 -0.013 0.000 1.142 18 R CA 1.554 57.623 56.100 -0.051 0.000 0.960 18 R CB -0.288 30.003 30.300 -0.015 0.000 0.858 18 R HN 0.224 nan 8.270 nan 0.000 0.439 19 K N 0.177 120.607 120.400 0.049 0.000 2.032 19 K HA -0.112 4.210 4.320 0.003 0.000 0.209 19 K C 2.083 178.718 176.600 0.058 0.000 1.048 19 K CA 1.617 57.956 56.287 0.085 0.000 0.927 19 K CB -0.775 31.834 32.500 0.181 0.000 0.712 19 K HN 0.311 nan 8.250 nan 0.000 0.441 20 A N 2.376 125.217 122.820 0.035 0.000 1.865 20 A HA -0.145 4.177 4.320 0.003 0.000 0.217 20 A C 2.423 179.989 177.584 -0.030 0.000 1.191 20 A CA 1.408 53.453 52.037 0.012 0.000 0.623 20 A CB -0.813 18.160 19.000 -0.045 0.000 0.826 20 A HN 0.178 nan 8.150 nan 0.000 0.444 21 L N -0.294 120.877 121.223 -0.087 0.000 2.021 21 L HA -0.259 4.082 4.340 0.003 0.000 0.215 21 L C 1.839 178.686 176.870 -0.038 0.000 1.074 21 L CA 2.090 56.881 54.840 -0.081 0.000 0.760 21 L CB -1.148 40.845 42.059 -0.110 0.000 0.889 21 L HN 0.370 nan 8.230 nan 0.000 0.433 22 D N -0.468 119.920 120.400 -0.021 0.000 2.348 22 D HA -0.040 4.601 4.640 0.003 0.000 0.216 22 D C 2.107 178.413 176.300 0.010 0.000 0.970 22 D CA 0.752 54.749 54.000 -0.005 0.000 0.889 22 D CB 0.160 40.962 40.800 0.002 0.000 0.912 22 D HN 0.388 nan 8.370 nan 0.000 0.524 23 I N 0.223 120.804 120.570 0.018 0.000 2.628 23 I HA -0.007 4.164 4.170 0.003 0.000 0.255 23 I C 2.274 178.410 176.117 0.032 0.000 1.119 23 I CA 0.361 61.680 61.300 0.032 0.000 1.448 23 I CB -0.122 37.907 38.000 0.048 0.000 1.133 23 I HN -0.079 nan 8.210 nan 0.000 0.438 24 A N 0.942 123.777 122.820 0.025 0.000 1.933 24 A HA -0.213 4.108 4.320 0.003 0.000 0.218 24 A C 2.099 179.698 177.584 0.025 0.000 1.175 24 A CA 1.560 53.615 52.037 0.030 0.000 0.628 24 A CB -0.581 18.430 19.000 0.019 0.000 0.814 24 A HN 0.422 nan 8.150 nan 0.000 0.444 25 E N -0.062 120.143 120.200 0.008 0.000 2.097 25 E HA -0.234 4.118 4.350 0.003 0.000 0.196 25 E C 1.752 178.356 176.600 0.008 0.000 1.000 25 E CA 1.407 57.806 56.400 -0.001 0.000 0.804 25 E CB -0.348 29.344 29.700 -0.013 0.000 0.740 25 E HN 0.728 nan 8.360 nan 0.000 0.454 26 N N 0.155 118.867 118.700 0.019 0.000 2.364 26 N HA -0.133 4.609 4.740 0.003 0.000 0.183 26 N C 1.147 176.692 175.510 0.058 0.000 1.022 26 N CA 0.426 53.494 53.050 0.029 0.000 0.883 26 N CB 0.200 38.704 38.487 0.029 0.000 0.965 26 N HN 0.101 nan 8.380 nan 0.000 0.438 27 E N -0.125 120.120 120.200 0.075 0.000 2.476 27 E HA 0.153 4.505 4.350 0.003 0.000 0.196 27 E C -0.151 176.536 176.600 0.145 0.000 1.029 27 E CA 0.149 56.639 56.400 0.150 0.000 0.896 27 E CB 0.563 30.347 29.700 0.141 0.000 1.012 27 E HN 0.361 nan 8.360 nan 0.000 0.475 28 M N 0.916 120.535 119.600 0.032 0.000 2.488 28 M HA 0.219 4.700 4.480 0.003 0.000 0.204 28 M C -2.102 174.113 176.300 -0.141 0.000 0.969 28 M CA -1.671 53.590 55.300 -0.065 0.000 0.720 28 M CB 1.560 34.143 32.600 -0.028 0.000 1.427 28 M HN -0.238 nan 8.290 nan 0.000 0.427 29 P HA -0.090 nan 4.420 nan 0.000 0.217 29 P C 1.575 178.633 177.300 -0.402 0.000 1.150 29 P CA 1.316 64.245 63.100 -0.284 0.000 0.832 29 P CB 0.136 31.671 31.700 -0.275 0.000 0.787 30 G N 0.478 108.853 108.800 -0.709 0.000 2.514 30 G HA2 -0.270 3.691 3.960 0.003 0.000 0.217 30 G HA3 -0.270 3.691 3.960 0.003 0.000 0.217 30 G C 1.503 176.314 174.900 -0.147 0.000 1.198 30 G CA 0.890 45.723 45.100 -0.445 0.000 0.780 30 G HN 0.229 nan 8.290 nan 0.000 0.565 31 L N -0.107 121.060 121.223 -0.093 0.000 2.083 31 L HA -0.093 4.249 4.340 0.003 0.000 0.209 31 L C 3.092 179.943 176.870 -0.031 0.000 1.083 31 L CA 0.792 55.617 54.840 -0.025 0.000 0.752 31 L CB -0.383 41.676 42.059 -0.001 0.000 0.899 31 L HN 0.169 nan 8.230 nan 0.000 0.433 32 M N -0.739 118.824 119.600 -0.062 0.000 2.175 32 M HA -0.159 4.322 4.480 0.003 0.000 0.264 32 M C 2.318 178.593 176.300 -0.042 0.000 1.063 32 M CA 1.513 56.784 55.300 -0.048 0.000 1.119 32 M CB -1.187 31.380 32.600 -0.056 0.000 1.377 32 M HN 0.179 nan 8.290 nan 0.000 0.415 33 R N -0.440 120.023 120.500 -0.063 0.000 2.148 33 R HA -0.075 4.267 4.340 0.003 0.000 0.223 33 R C 2.036 178.336 176.300 -0.000 0.000 1.088 33 R CA 0.863 56.934 56.100 -0.049 0.000 0.985 33 R CB 0.100 30.359 30.300 -0.068 0.000 0.880 33 R HN 0.125 nan 8.270 nan 0.000 0.451 34 M N 0.387 120.021 119.600 0.057 0.000 2.086 34 M HA -0.149 4.332 4.480 0.003 0.000 0.261 34 M C 1.963 178.381 176.300 0.196 0.000 1.067 34 M CA 1.714 57.137 55.300 0.205 0.000 1.116 34 M CB -0.680 32.006 32.600 0.143 0.000 1.348 34 M HN 0.089 nan 8.290 nan 0.000 0.407 35 R N -0.784 119.763 120.500 0.079 0.000 2.115 35 R HA -0.113 4.229 4.340 0.003 0.000 0.230 35 R C 2.147 178.454 176.300 0.011 0.000 1.111 35 R CA 1.140 57.270 56.100 0.051 0.000 0.976 35 R CB -0.328 29.979 30.300 0.013 0.000 0.870 35 R HN 0.481 nan 8.270 nan 0.000 0.445 36 E N 0.891 121.077 120.200 -0.022 0.000 2.085 36 E HA -0.190 4.161 4.350 0.003 0.000 0.194 36 E C 1.834 178.368 176.600 -0.111 0.000 0.994 36 E CA 1.714 58.080 56.400 -0.057 0.000 0.801 36 E CB 0.156 29.819 29.700 -0.062 0.000 0.743 36 E HN 0.337 nan 8.360 nan 0.000 0.453 37 M N -2.146 117.326 119.600 -0.213 0.000 2.461 37 M HA 0.129 4.610 4.480 0.003 0.000 0.255 37 M C 0.605 176.598 176.300 -0.512 0.000 1.137 37 M CA 0.507 55.554 55.300 -0.421 0.000 1.086 37 M CB 0.442 32.646 32.600 -0.660 0.000 1.356 37 M HN 0.007 nan 8.290 nan 0.000 0.487 38 Y N 0.615 120.920 120.300 0.009 0.000 2.430 38 Y HA 0.226 4.777 4.550 0.002 0.000 0.254 38 Y C 2.794 178.701 175.900 0.012 0.000 1.088 38 Y CA 0.407 58.516 58.100 0.016 0.000 1.267 38 Y CB -0.117 38.357 38.460 0.023 0.000 1.204 38 Y HN 0.353 nan 8.280 nan 0.000 0.515 39 S N 0.432 116.205 115.700 0.122 0.000 2.440 39 S HA -0.212 4.260 4.470 0.003 0.000 0.240 39 S C 1.942 176.575 174.600 0.054 0.000 1.014 39 S CA 1.230 59.474 58.200 0.072 0.000 0.980 39 S CB -0.282 62.939 63.200 0.036 0.000 0.775 39 S HN 0.353 nan 8.310 nan 0.000 0.499 40 A N 1.326 124.175 122.820 0.047 0.000 1.924 40 A HA 0.237 4.558 4.320 0.003 0.000 0.211 40 A C 2.348 179.965 177.584 0.054 0.000 1.198 40 A CA 0.983 53.041 52.037 0.035 0.000 0.657 40 A CB -0.734 18.273 19.000 0.013 0.000 0.852 40 A HN 0.628 nan 8.150 nan 0.000 0.454 41 S N 0.529 116.278 115.700 0.081 0.000 2.453 41 S HA 0.000 4.472 4.470 0.003 0.000 0.231 41 S C 0.395 175.062 174.600 0.111 0.000 1.005 41 S CA 0.612 58.872 58.200 0.101 0.000 0.949 41 S CB -0.199 63.089 63.200 0.147 0.000 0.774 41 S HN 0.506 nan 8.310 nan 0.000 0.510 42 K N 0.546 121.016 120.400 0.117 0.000 3.451 42 K HA -0.130 4.192 4.320 0.003 0.000 0.273 42 K C -2.168 174.501 176.600 0.115 0.000 0.944 42 K CA 0.770 57.115 56.287 0.097 0.000 0.734 42 K CB -1.738 30.805 32.500 0.071 0.000 1.437 42 K HN 0.384 nan 8.250 nan 0.000 0.454 43 P HA -0.179 nan 4.420 nan 0.000 0.217 43 P C 1.131 178.569 177.300 0.229 0.000 1.148 43 P CA 1.219 64.394 63.100 0.123 0.000 0.828 43 P CB 0.096 31.802 31.700 0.010 0.000 0.783 44 L N -1.208 120.085 121.223 0.117 0.000 2.629 44 L HA 0.157 4.499 4.340 0.003 0.000 0.230 44 L C 1.344 178.167 176.870 -0.078 0.000 1.151 44 L CA -0.330 54.484 54.840 -0.045 0.000 0.924 44 L CB -0.514 41.423 42.059 -0.203 0.000 1.137 44 L HN -0.105 nan 8.230 nan 0.000 0.457 45 K N 1.554 122.039 120.400 0.141 0.000 2.430 45 K HA 0.087 4.409 4.320 0.003 0.000 0.280 45 K C 1.034 177.777 176.600 0.238 0.000 1.063 45 K CA 1.154 57.514 56.287 0.121 0.000 1.071 45 K CB 0.297 32.877 32.500 0.132 0.000 0.899 45 K HN 0.332 nan 8.250 nan 0.000 0.473 46 G N 2.342 111.177 108.800 0.058 0.000 2.284 46 G HA2 -0.246 3.715 3.960 0.003 0.000 0.216 46 G HA3 -0.246 3.715 3.960 0.003 0.000 0.216 46 G C 0.092 174.795 174.900 -0.329 0.000 1.009 46 G CA 0.002 45.184 45.100 0.138 0.000 0.625 46 G HN 0.914 nan 8.290 nan 0.000 0.501 47 A N 0.479 122.640 122.820 -1.098 0.000 2.351 47 A HA 0.744 5.066 4.320 0.003 0.000 0.257 47 A C 0.592 177.719 177.584 -0.762 0.000 1.087 47 A CA 0.168 51.282 52.037 -1.540 0.000 0.798 47 A CB 0.309 18.140 19.000 -1.947 0.000 1.033 47 A HN 0.470 nan 8.150 nan 0.000 0.488 48 R N 1.800 121.853 120.500 -0.746 0.000 2.415 48 R HA 0.325 4.666 4.340 0.003 0.000 0.292 48 R C -1.493 174.459 176.300 -0.581 0.000 1.295 48 R CA -0.207 55.339 56.100 -0.922 0.000 1.137 48 R CB 0.851 30.084 30.300 -1.778 0.000 1.135 48 R HN 0.665 nan 8.270 nan 0.000 0.560 49 I N 2.137 122.600 120.570 -0.177 0.000 2.396 49 I HA 0.152 4.324 4.170 0.003 0.000 0.289 49 I C 0.592 176.798 176.117 0.149 0.000 1.056 49 I CA 0.064 61.343 61.300 -0.036 0.000 1.365 49 I CB 1.389 39.384 38.000 -0.009 0.000 1.407 49 I HN 0.475 nan 8.210 nan 0.000 0.509 50 A N 5.795 128.621 122.820 0.011 0.000 2.260 50 A HA 0.705 5.026 4.320 0.003 0.000 0.312 50 A C 0.312 177.668 177.584 -0.380 0.000 1.321 50 A CA -0.360 51.628 52.037 -0.081 0.000 0.928 50 A CB 0.107 19.052 19.000 -0.090 0.000 1.158 50 A HN 0.804 nan 8.150 nan 0.000 0.542 51 G N 0.048 108.400 108.800 -0.746 0.000 2.388 51 G HA2 0.476 4.437 3.960 0.003 0.000 0.330 51 G HA3 0.476 4.437 3.960 0.003 0.000 0.330 51 G C -0.821 173.175 174.900 -1.506 0.000 1.142 51 G CA -0.358 43.787 45.100 -1.592 0.000 0.908 51 G HN 0.911 nan 8.290 nan 0.000 0.473 52 C N 4.071 122.771 119.300 -1.000 0.000 2.521 52 C HA 0.784 5.245 4.460 0.003 0.000 0.291 52 C C -0.539 174.207 174.990 -0.406 0.000 1.074 52 C CA -0.602 58.047 59.018 -0.614 0.000 1.495 52 C CB -1.795 25.711 27.740 -0.390 0.000 1.862 52 C HN 0.651 nan 8.230 nan 0.000 0.418 53 L N 6.201 127.277 121.223 -0.245 0.000 2.513 53 L HA 0.479 4.821 4.340 0.003 0.000 0.261 53 L C -0.373 176.591 176.870 0.157 0.000 0.945 53 L CA -0.479 54.368 54.840 0.012 0.000 0.848 53 L CB 1.710 43.936 42.059 0.278 0.000 1.334 53 L HN 0.642 nan 8.230 nan 0.000 0.407 54 H N 3.595 122.783 119.070 0.196 0.000 3.209 54 H HA -0.118 4.440 4.556 0.003 0.000 0.297 54 H C 0.018 175.451 175.328 0.175 0.000 0.936 54 H CA 0.166 56.316 56.048 0.170 0.000 1.392 54 H CB 0.414 30.273 29.762 0.162 0.000 1.349 54 H HN 0.376 nan 8.280 nan 0.000 0.568 55 M N 4.601 124.343 119.600 0.237 0.000 2.319 55 M HA 0.107 4.589 4.480 0.003 0.000 0.343 55 M C -0.379 175.959 176.300 0.062 0.000 1.364 55 M CA -0.170 55.202 55.300 0.120 0.000 1.292 55 M CB -0.332 32.324 32.600 0.093 0.000 1.432 55 M HN 0.685 nan 8.290 nan 0.000 0.448 56 T N 0.342 114.921 114.554 0.041 0.000 2.858 56 T HA 0.538 4.889 4.350 0.003 0.000 0.285 56 T C 0.927 175.586 174.700 -0.069 0.000 1.052 56 T CA -0.921 61.187 62.100 0.013 0.000 1.009 56 T CB 0.809 69.732 68.868 0.093 0.000 1.241 56 T HN 0.184 nan 8.240 nan 0.000 0.542 57 V N 0.964 120.820 119.914 -0.097 0.000 2.324 57 V HA -0.170 3.952 4.120 0.003 0.000 0.250 57 V C 2.706 178.771 176.094 -0.047 0.000 1.060 57 V CA 2.289 64.506 62.300 -0.138 0.000 1.042 57 V CB -1.138 30.617 31.823 -0.113 0.000 0.650 57 V HN 0.887 nan 8.190 nan 0.000 0.450 58 E N 0.177 120.416 120.200 0.065 0.000 2.051 58 E HA -0.165 4.187 4.350 0.003 0.000 0.192 58 E C 2.331 179.073 176.600 0.236 0.000 0.991 58 E CA 1.911 58.433 56.400 0.203 0.000 0.799 58 E CB -0.728 29.152 29.700 0.301 0.000 0.748 58 E HN 0.577 nan 8.360 nan 0.000 0.449 59 T N 0.513 115.144 114.554 0.128 0.000 2.833 59 T HA -0.140 4.211 4.350 0.003 0.000 0.269 59 T C 1.866 176.308 174.700 -0.430 0.000 1.054 59 T CA 1.131 63.048 62.100 -0.305 0.000 1.135 59 T CB -0.321 68.429 68.868 -0.197 0.000 0.869 59 T HN 0.278 nan 8.240 nan 0.000 0.466 60 A N 1.188 123.834 122.820 -0.291 0.000 1.877 60 A HA -0.052 4.269 4.320 0.003 0.000 0.216 60 A C 2.574 179.987 177.584 -0.285 0.000 1.186 60 A CA 1.404 53.241 52.037 -0.332 0.000 0.620 60 A CB -1.035 17.807 19.000 -0.263 0.000 0.822 60 A HN 0.360 nan 8.150 nan 0.000 0.443 61 V N 0.138 119.948 119.914 -0.174 0.000 2.392 61 V HA -0.253 3.868 4.120 0.003 0.000 0.249 61 V C 2.516 178.522 176.094 -0.147 0.000 1.059 61 V CA 1.974 64.203 62.300 -0.119 0.000 1.051 61 V CB -1.002 30.800 31.823 -0.034 0.000 0.658 61 V HN 0.641 nan 8.190 nan 0.000 0.455 62 L N 0.400 121.502 121.223 -0.202 0.000 1.994 62 L HA -0.118 4.224 4.340 0.003 0.000 0.208 62 L C 2.228 178.897 176.870 -0.336 0.000 1.071 62 L CA 1.875 56.565 54.840 -0.250 0.000 0.745 62 L CB -0.676 41.105 42.059 -0.463 0.000 0.892 62 L HN 0.229 nan 8.230 nan 0.000 0.431 63 I N -0.013 120.220 120.570 -0.562 0.000 2.118 63 I HA -0.345 3.827 4.170 0.003 0.000 0.241 63 I C 2.447 178.379 176.117 -0.307 0.000 1.070 63 I CA 1.946 62.887 61.300 -0.599 0.000 1.327 63 I CB -0.619 36.890 38.000 -0.819 0.000 1.034 63 I HN 0.387 nan 8.210 nan 0.000 0.405 64 E N -0.017 120.030 120.200 -0.255 0.000 2.333 64 E HA -0.170 4.181 4.350 0.003 0.000 0.198 64 E C 2.008 178.543 176.600 -0.109 0.000 1.007 64 E CA 1.438 57.743 56.400 -0.158 0.000 0.845 64 E CB -0.076 29.541 29.700 -0.139 0.000 0.766 64 E HN 0.536 nan 8.360 nan 0.000 0.507 65 T N 0.744 115.230 114.554 -0.113 0.000 2.937 65 T HA 0.017 4.369 4.350 0.003 0.000 0.260 65 T C 1.888 176.557 174.700 -0.052 0.000 1.051 65 T CA 0.320 62.383 62.100 -0.061 0.000 1.141 65 T CB 0.044 68.885 68.868 -0.045 0.000 0.879 65 T HN 0.087 nan 8.240 nan 0.000 0.459 66 L N 0.788 121.963 121.223 -0.080 0.000 2.083 66 L HA -0.063 4.278 4.340 0.003 0.000 0.209 66 L C 2.573 179.411 176.870 -0.052 0.000 1.083 66 L CA 0.840 55.644 54.840 -0.059 0.000 0.752 66 L CB -0.556 41.477 42.059 -0.045 0.000 0.899 66 L HN 0.140 nan 8.230 nan 0.000 0.433 67 V N -0.076 119.803 119.914 -0.060 0.000 2.379 67 V HA -0.211 3.911 4.120 0.003 0.000 0.245 67 V C 2.637 178.715 176.094 -0.027 0.000 1.044 67 V CA 1.653 63.928 62.300 -0.042 0.000 1.036 67 V CB -0.659 31.133 31.823 -0.052 0.000 0.664 67 V HN 0.465 nan 8.190 nan 0.000 0.453 68 A N -0.682 122.122 122.820 -0.027 0.000 2.125 68 A HA -0.074 4.247 4.320 0.003 0.000 0.219 68 A C 1.773 179.367 177.584 0.016 0.000 1.156 68 A CA 1.233 53.266 52.037 -0.007 0.000 0.671 68 A CB -0.352 18.644 19.000 -0.008 0.000 0.794 68 A HN 0.447 nan 8.150 nan 0.000 0.459 69 L N -1.064 120.166 121.223 0.012 0.000 2.653 69 L HA 0.319 4.661 4.340 0.003 0.000 0.231 69 L C 1.491 178.372 176.870 0.019 0.000 1.153 69 L CA 0.901 55.761 54.840 0.035 0.000 0.933 69 L CB -0.271 41.800 42.059 0.019 0.000 1.175 69 L HN 0.546 nan 8.230 nan 0.000 0.473 70 G N -0.955 107.847 108.800 0.004 0.000 2.137 70 G HA2 -0.155 3.806 3.960 0.003 0.000 0.237 70 G HA3 -0.155 3.806 3.960 0.003 0.000 0.237 70 G C 0.392 175.265 174.900 -0.045 0.000 1.002 70 G CA 0.138 45.237 45.100 -0.001 0.000 0.702 70 G HN 0.646 nan 8.290 nan 0.000 0.515 71 A N -0.638 122.136 122.820 -0.076 0.000 2.294 71 A HA 0.837 5.159 4.320 0.003 0.000 0.330 71 A C 0.061 177.606 177.584 -0.064 0.000 1.133 71 A CA -0.377 51.574 52.037 -0.143 0.000 0.836 71 A CB 0.880 19.771 19.000 -0.182 0.000 1.190 71 A HN 0.375 nan 8.150 nan 0.000 0.492 72 E N -0.177 119.981 120.200 -0.069 0.000 2.197 72 E HA 0.531 4.883 4.350 0.003 0.000 0.281 72 E C -1.172 175.584 176.600 0.260 0.000 0.995 72 E CA -0.192 56.276 56.400 0.112 0.000 0.808 72 E CB 1.832 31.612 29.700 0.134 0.000 1.093 72 E HN 0.320 nan 8.360 nan 0.000 0.394 73 V N 3.556 123.643 119.914 0.287 0.000 2.709 73 V HA 0.508 4.630 4.120 0.003 0.000 0.308 73 V C -0.519 175.690 176.094 0.192 0.000 1.062 73 V CA -0.784 61.696 62.300 0.299 0.000 0.901 73 V CB 2.073 34.022 31.823 0.210 0.000 1.003 73 V HN 0.559 nan 8.190 nan 0.000 0.425 74 R N 2.943 123.547 120.500 0.175 0.000 2.561 74 R HA 0.486 4.827 4.340 0.003 0.000 0.297 74 R C -1.731 174.675 176.300 0.176 0.000 0.969 74 R CA -0.463 55.645 56.100 0.013 0.000 0.879 74 R CB 1.696 31.806 30.300 -0.316 0.000 1.178 74 R HN 0.748 nan 8.270 nan 0.000 0.445 75 W N 2.042 123.312 121.300 -0.050 0.000 2.882 75 W HA 0.510 5.171 4.660 0.002 0.000 0.345 75 W C -0.980 175.538 176.519 -0.002 0.000 1.125 75 W CA -0.382 56.931 57.345 -0.054 0.000 1.167 75 W CB 2.388 31.790 29.460 -0.096 0.000 1.431 75 W HN 0.667 nan 8.180 nan 0.000 0.543 76 S N 1.000 116.654 115.700 -0.076 0.000 2.537 76 S HA 0.338 4.810 4.470 0.003 0.000 0.271 76 S C -0.703 173.853 174.600 -0.074 0.000 1.148 76 S CA -0.731 57.439 58.200 -0.050 0.000 0.868 76 S CB 1.767 64.839 63.200 -0.214 0.000 1.115 76 S HN 0.387 nan 8.310 nan 0.000 0.461 77 S N -0.187 115.528 115.700 0.025 0.000 2.617 77 S HA 0.321 4.792 4.470 0.003 0.000 0.259 77 S C 1.081 175.712 174.600 0.051 0.000 1.301 77 S CA -0.057 58.182 58.200 0.066 0.000 0.984 77 S CB 0.119 63.370 63.200 0.086 0.000 0.954 77 S HN 1.659 nan 8.310 nan 0.000 0.572 78 C N 1.992 121.266 119.300 -0.042 0.000 2.994 78 C HA 0.576 5.037 4.460 0.003 0.000 0.284 78 C C -0.025 174.923 174.990 -0.071 0.000 1.404 78 C CA -0.849 58.149 59.018 -0.033 0.000 1.775 78 C CB -1.792 25.788 27.740 -0.266 0.000 2.458 78 C HN 0.732 nan 8.230 nan 0.000 0.593 79 N N 1.036 119.714 118.700 -0.036 0.000 2.371 79 N HA 0.297 5.039 4.740 0.003 0.000 0.280 79 N C 0.562 175.968 175.510 -0.174 0.000 1.084 79 N CA -0.430 52.575 53.050 -0.076 0.000 0.892 79 N CB 1.394 40.035 38.487 0.258 0.000 1.653 79 N HN 0.358 nan 8.380 nan 0.000 0.480 80 I N -0.020 120.291 120.570 -0.430 0.000 2.454 80 I HA -0.075 4.097 4.170 0.003 0.000 0.254 80 I C 0.753 176.489 176.117 -0.635 0.000 1.156 80 I CA 1.280 62.206 61.300 -0.624 0.000 1.433 80 I CB -0.336 37.111 38.000 -0.921 0.000 1.082 80 I HN 0.244 nan 8.210 nan 0.000 0.432 81 F N 1.207 121.152 119.950 -0.007 0.000 2.637 81 F HA 0.088 4.617 4.527 0.003 0.000 0.284 81 F C 2.790 178.635 175.800 0.074 0.000 1.105 81 F CA 0.581 58.604 58.000 0.039 0.000 1.356 81 F CB -0.753 38.264 39.000 0.029 0.000 1.096 81 F HN 0.006 nan 8.300 nan 0.000 0.616 82 S N -0.459 115.408 115.700 0.278 0.000 2.413 82 S HA -0.250 4.221 4.470 0.003 0.000 0.237 82 S C 1.403 176.120 174.600 0.195 0.000 1.044 82 S CA 1.414 59.752 58.200 0.230 0.000 1.024 82 S CB -1.625 61.775 63.200 0.333 0.000 0.829 82 S HN 0.387 nan 8.310 nan 0.000 0.475 83 T N 1.623 116.282 114.554 0.176 0.000 2.902 83 T HA 0.174 4.526 4.350 0.003 0.000 0.301 83 T C -0.351 174.428 174.700 0.133 0.000 1.012 83 T CA -0.254 61.930 62.100 0.141 0.000 1.151 83 T CB 0.265 69.193 68.868 0.100 0.000 0.946 83 T HN 0.514 nan 8.240 nan 0.000 0.542 84 Q N 3.674 123.533 119.800 0.099 0.000 2.274 84 Q HA 0.226 4.567 4.340 0.003 0.000 0.256 84 Q C 0.744 176.790 176.000 0.078 0.000 0.927 84 Q CA -0.655 55.212 55.803 0.107 0.000 0.939 84 Q CB 1.271 30.052 28.738 0.072 0.000 1.201 84 Q HN 0.698 nan 8.270 nan 0.000 0.426 85 D N 1.014 121.500 120.400 0.143 0.000 2.123 85 D HA -0.160 4.481 4.640 0.003 0.000 0.200 85 D C 1.606 177.930 176.300 0.041 0.000 0.976 85 D CA 1.120 55.191 54.000 0.119 0.000 0.831 85 D CB 0.181 41.088 40.800 0.179 0.000 0.974 85 D HN 0.693 nan 8.370 nan 0.000 0.469 86 H N 0.565 119.467 119.070 -0.281 0.000 2.489 86 H HA 0.128 4.686 4.556 0.002 0.000 0.293 86 H C 1.666 176.795 175.328 -0.331 0.000 1.066 86 H CA 1.264 57.067 56.048 -0.408 0.000 1.305 86 H CB -0.497 28.561 29.762 -1.173 0.000 1.386 86 H HN 0.038 nan 8.280 nan 0.000 0.551 87 A N 1.327 123.697 122.820 -0.750 0.000 1.935 87 A HA 0.296 4.617 4.320 0.003 0.000 0.214 87 A C 2.712 180.108 177.584 -0.313 0.000 1.178 87 A CA 1.255 52.933 52.037 -0.598 0.000 0.640 87 A CB -0.735 17.941 19.000 -0.540 0.000 0.825 87 A HN 0.565 nan 8.150 nan 0.000 0.447 88 A N 0.039 122.738 122.820 -0.202 0.000 1.897 88 A HA 0.264 4.586 4.320 0.003 0.000 0.215 88 A C 2.476 179.957 177.584 -0.172 0.000 1.181 88 A CA 1.743 53.697 52.037 -0.138 0.000 0.620 88 A CB -0.974 18.008 19.000 -0.030 0.000 0.821 88 A HN 0.944 nan 8.150 nan 0.000 0.443 89 A N 0.114 122.848 122.820 -0.143 0.000 1.883 89 A HA 0.104 4.425 4.320 0.003 0.000 0.217 89 A C 2.486 179.954 177.584 -0.194 0.000 1.186 89 A CA 2.212 54.153 52.037 -0.160 0.000 0.624 89 A CB -1.058 17.907 19.000 -0.059 0.000 0.822 89 A HN 1.103 nan 8.150 nan 0.000 0.444 90 A N -0.535 122.179 122.820 -0.177 0.000 2.019 90 A HA -0.029 4.293 4.320 0.003 0.000 0.219 90 A C 1.997 179.474 177.584 -0.179 0.000 1.164 90 A CA 1.539 53.479 52.037 -0.161 0.000 0.644 90 A CB -0.406 18.490 19.000 -0.173 0.000 0.805 90 A HN 0.423 nan 8.150 nan 0.000 0.449 91 I N -0.348 120.093 120.570 -0.215 0.000 2.235 91 I HA -0.150 4.022 4.170 0.003 0.000 0.241 91 I C 2.968 178.951 176.117 -0.223 0.000 1.085 91 I CA 1.317 62.488 61.300 -0.215 0.000 1.378 91 I CB -1.593 36.263 38.000 -0.240 0.000 1.076 91 I HN 0.349 nan 8.210 nan 0.000 0.415 92 A N 0.963 123.591 122.820 -0.320 0.000 1.883 92 A HA -0.256 4.065 4.320 0.003 0.000 0.217 92 A C 2.398 179.763 177.584 -0.364 0.000 1.186 92 A CA 2.013 53.745 52.037 -0.509 0.000 0.624 92 A CB -0.660 17.692 19.000 -1.080 0.000 0.822 92 A HN 0.384 nan 8.150 nan 0.000 0.444 93 K N 0.176 120.401 120.400 -0.292 0.000 2.211 93 K HA -0.017 4.305 4.320 0.003 0.000 0.203 93 K C 1.761 178.317 176.600 -0.074 0.000 1.050 93 K CA 1.240 57.445 56.287 -0.136 0.000 0.945 93 K CB -0.343 32.094 32.500 -0.104 0.000 0.732 93 K HN 0.347 nan 8.250 nan 0.000 0.451 94 A N 0.443 123.203 122.820 -0.099 0.000 2.209 94 A HA 0.127 4.449 4.320 0.003 0.000 0.212 94 A C 1.340 178.899 177.584 -0.041 0.000 1.158 94 A CA 1.086 53.081 52.037 -0.070 0.000 0.742 94 A CB -0.462 18.481 19.000 -0.095 0.000 0.790 94 A HN 0.581 nan 8.150 nan 0.000 0.472 95 G N -1.662 107.123 108.800 -0.024 0.000 2.144 95 G HA2 -0.183 3.779 3.960 0.003 0.000 0.218 95 G HA3 -0.183 3.779 3.960 0.003 0.000 0.218 95 G C -0.044 174.860 174.900 0.007 0.000 0.988 95 G CA 0.136 45.246 45.100 0.016 0.000 0.659 95 G HN 0.405 nan 8.290 nan 0.000 0.522 96 I N 2.281 122.830 120.570 -0.034 0.000 2.412 96 I HA 0.419 4.590 4.170 0.003 0.000 0.296 96 I C -1.954 174.127 176.117 -0.060 0.000 0.987 96 I CA -2.740 58.531 61.300 -0.048 0.000 1.180 96 I CB 2.041 39.989 38.000 -0.088 0.000 1.340 96 I HN -0.140 nan 8.210 nan 0.000 0.455 97 P HA 0.134 nan 4.420 nan 0.000 0.277 97 P C -0.922 176.177 177.300 -0.336 0.000 1.354 97 P CA -0.118 62.870 63.100 -0.187 0.000 0.891 97 P CB 0.321 31.948 31.700 -0.123 0.000 1.058 98 V N 1.612 121.263 119.914 -0.438 0.000 2.555 98 V HA 0.600 4.722 4.120 0.003 0.000 0.302 98 V C -0.536 175.253 176.094 -0.507 0.000 1.038 98 V CA -0.898 61.216 62.300 -0.309 0.000 0.887 98 V CB 1.510 33.253 31.823 -0.134 0.000 0.991 98 V HN 0.149 nan 8.190 nan 0.000 0.434 99 F N 3.028 123.022 119.950 0.073 0.000 2.451 99 F HA 0.877 5.406 4.527 0.002 0.000 0.367 99 F C 0.416 176.207 175.800 -0.014 0.000 1.100 99 F CA -0.261 57.801 58.000 0.103 0.000 1.171 99 F CB 1.456 40.363 39.000 -0.156 0.000 1.405 99 F HN 0.922 nan 8.300 nan 0.000 0.482 100 A N 2.719 125.650 122.820 0.186 0.000 2.547 100 A HA 0.705 5.026 4.320 0.003 0.000 0.298 100 A C -2.010 175.674 177.584 0.167 0.000 1.062 100 A CA -0.803 51.196 52.037 -0.063 0.000 0.748 100 A CB 0.513 19.517 19.000 0.006 0.000 1.288 100 A HN 0.686 nan 8.150 nan 0.000 0.396 101 W N 1.397 122.780 121.300 0.139 0.000 3.032 101 W HA 0.745 5.407 4.660 0.003 0.000 0.335 101 W C -0.388 176.189 176.519 0.097 0.000 1.154 101 W CA -1.043 56.370 57.345 0.113 0.000 1.204 101 W CB 1.206 30.736 29.460 0.117 0.000 1.416 101 W HN 0.744 nan 8.180 nan 0.000 0.521 102 K N 1.969 122.535 120.400 0.277 0.000 2.416 102 K HA 0.407 4.728 4.320 0.003 0.000 0.283 102 K C 0.771 177.522 176.600 0.253 0.000 1.037 102 K CA 0.978 57.395 56.287 0.218 0.000 0.995 102 K CB 0.058 32.710 32.500 0.253 0.000 0.938 102 K HN 1.339 nan 8.250 nan 0.000 0.475 103 G N 3.521 112.364 108.800 0.072 0.000 2.470 103 G HA2 -0.215 3.747 3.960 0.003 0.000 0.286 103 G HA3 -0.215 3.747 3.960 0.003 0.000 0.286 103 G C -0.665 174.232 174.900 -0.005 0.000 1.115 103 G CA 0.075 45.185 45.100 0.017 0.000 1.122 103 G HN 0.708 nan 8.290 nan 0.000 0.522 104 E N 0.011 120.043 120.200 -0.279 0.000 2.254 104 E HA 0.690 5.041 4.350 0.003 0.000 0.261 104 E C 0.811 177.368 176.600 -0.072 0.000 1.051 104 E CA -0.380 55.994 56.400 -0.044 0.000 0.902 104 E CB 0.949 30.450 29.700 -0.331 0.000 1.168 104 E HN 0.472 nan 8.360 nan 0.000 0.423 105 T N -1.798 112.811 114.554 0.092 0.000 2.909 105 T HA 0.122 4.473 4.350 0.003 0.000 0.286 105 T C 0.190 174.929 174.700 0.065 0.000 1.002 105 T CA -0.736 61.406 62.100 0.069 0.000 1.074 105 T CB 0.880 69.816 68.868 0.114 0.000 0.984 105 T HN 0.267 nan 8.240 nan 0.000 0.495 106 D N 1.239 121.663 120.400 0.041 0.000 2.315 106 D HA -0.055 4.586 4.640 0.003 0.000 0.211 106 D C 1.556 177.942 176.300 0.144 0.000 0.977 106 D CA 1.159 55.201 54.000 0.069 0.000 0.894 106 D CB 0.010 40.837 40.800 0.044 0.000 0.910 106 D HN 0.760 nan 8.370 nan 0.000 0.490 107 E N 0.356 120.634 120.200 0.130 0.000 2.075 107 E HA -0.033 4.319 4.350 0.003 0.000 0.190 107 E C 1.778 178.496 176.600 0.197 0.000 0.969 107 E CA 0.623 57.106 56.400 0.138 0.000 0.815 107 E CB -0.084 29.676 29.700 0.099 0.000 0.776 107 E HN 0.360 nan 8.360 nan 0.000 0.457 108 E N -0.074 120.266 120.200 0.233 0.000 2.268 108 E HA -0.188 4.164 4.350 0.003 0.000 0.195 108 E C 1.550 178.347 176.600 0.329 0.000 0.995 108 E CA 0.677 57.297 56.400 0.367 0.000 0.836 108 E CB -0.164 29.861 29.700 0.542 0.000 0.763 108 E HN 0.275 nan 8.360 nan 0.000 0.491 109 Y N 1.573 121.898 120.300 0.041 0.000 2.133 109 Y HA -0.192 4.360 4.550 0.003 0.000 0.287 109 Y C 1.945 177.821 175.900 -0.040 0.000 1.134 109 Y CA 1.131 59.182 58.100 -0.082 0.000 1.133 109 Y CB -0.183 38.204 38.460 -0.121 0.000 0.987 109 Y HN -0.030 nan 8.280 nan 0.000 0.502 110 L N -0.506 120.690 121.223 -0.046 0.000 2.131 110 L HA -0.215 4.126 4.340 0.003 0.000 0.210 110 L C 2.179 178.974 176.870 -0.125 0.000 1.092 110 L CA 1.704 56.451 54.840 -0.155 0.000 0.759 110 L CB -1.880 40.190 42.059 0.018 0.000 0.903 110 L HN 0.655 nan 8.230 nan 0.000 0.435 111 W N -0.437 120.779 121.300 -0.140 0.000 2.407 111 W HA -0.187 4.474 4.660 0.002 0.000 0.305 111 W C 2.710 179.093 176.519 -0.227 0.000 1.196 111 W CA 1.305 58.576 57.345 -0.123 0.000 1.311 111 W CB -0.561 28.889 29.460 -0.016 0.000 1.135 111 W HN 0.076 nan 8.180 nan 0.000 0.514 112 C N 0.818 119.896 119.300 -0.370 0.000 2.401 112 C HA -0.241 4.220 4.460 0.003 0.000 0.276 112 C C 2.734 177.266 174.990 -0.764 0.000 1.233 112 C CA 1.564 60.173 59.018 -0.682 0.000 1.753 112 C CB -1.476 26.110 27.740 -0.257 0.000 2.029 112 C HN 0.410 nan 8.230 nan 0.000 0.478 113 I N 0.404 120.597 120.570 -0.629 0.000 2.142 113 I HA -0.220 3.952 4.170 0.003 0.000 0.240 113 I C 2.516 178.298 176.117 -0.559 0.000 1.078 113 I CA 1.678 62.636 61.300 -0.572 0.000 1.343 113 I CB -0.671 36.982 38.000 -0.578 0.000 1.046 113 I HN 0.355 nan 8.210 nan 0.000 0.405 114 E N 0.381 120.266 120.200 -0.526 0.000 2.187 114 E HA -0.278 4.074 4.350 0.003 0.000 0.199 114 E C 2.195 178.490 176.600 -0.508 0.000 1.004 114 E CA 1.154 57.306 56.400 -0.413 0.000 0.813 114 E CB 0.036 29.580 29.700 -0.261 0.000 0.736 114 E HN 0.431 nan 8.360 nan 0.000 0.468 115 Q N -0.782 118.484 119.800 -0.889 0.000 2.167 115 Q HA -0.099 4.243 4.340 0.003 0.000 0.202 115 Q C 2.167 177.771 176.000 -0.660 0.000 0.970 115 Q CA 1.705 56.861 55.803 -1.079 0.000 0.855 115 Q CB -0.496 26.727 28.738 -2.526 0.000 0.911 115 Q HN 0.426 nan 8.270 nan 0.000 0.438 116 T N -2.040 112.207 114.554 -0.512 0.000 3.215 116 T HA 0.155 4.506 4.350 0.003 0.000 0.254 116 T C 1.705 176.258 174.700 -0.245 0.000 1.149 116 T CA 0.104 62.031 62.100 -0.289 0.000 1.042 116 T CB -0.223 68.510 68.868 -0.226 0.000 0.966 116 T HN 0.105 nan 8.240 nan 0.000 0.534 117 L N -0.344 120.706 121.223 -0.288 0.000 2.375 117 L HA 0.260 4.602 4.340 0.003 0.000 0.215 117 L C 0.859 177.500 176.870 -0.382 0.000 1.108 117 L CA 0.446 55.090 54.840 -0.327 0.000 0.830 117 L CB -0.221 41.569 42.059 -0.448 0.000 0.959 117 L HN 0.353 nan 8.230 nan 0.000 0.457 118 H N -0.801 118.284 119.070 0.025 0.000 2.547 118 H HA 0.407 4.965 4.556 0.003 0.000 0.342 118 H C -0.950 174.420 175.328 0.070 0.000 1.048 118 H CA -0.717 55.406 56.048 0.125 0.000 1.204 118 H CB 1.649 31.436 29.762 0.042 0.000 1.493 118 H HN -0.199 nan 8.280 nan 0.000 0.511 119 F N 1.244 121.248 119.950 0.090 0.000 2.461 119 F HA 0.164 4.692 4.527 0.002 0.000 0.332 119 F C 1.724 177.559 175.800 0.058 0.000 1.073 119 F CA -1.122 56.911 58.000 0.055 0.000 1.017 119 F CB 0.831 39.842 39.000 0.017 0.000 1.301 119 F HN 0.359 nan 8.300 nan 0.000 0.492 120 K N -0.680 119.857 120.400 0.229 0.000 2.147 120 K HA -0.109 4.213 4.320 0.003 0.000 0.205 120 K C 0.582 177.259 176.600 0.128 0.000 1.049 120 K CA 1.819 58.187 56.287 0.135 0.000 0.936 120 K CB -0.311 32.252 32.500 0.104 0.000 0.722 120 K HN 0.354 nan 8.250 nan 0.000 0.446 121 D N 0.271 120.764 120.400 0.156 0.000 2.340 121 D HA 0.211 4.853 4.640 0.003 0.000 0.217 121 D C 0.465 176.820 176.300 0.093 0.000 1.081 121 D CA 0.816 54.874 54.000 0.097 0.000 0.842 121 D CB 0.705 41.545 40.800 0.065 0.000 0.934 121 D HN 0.384 nan 8.370 nan 0.000 0.511 122 G N 1.204 110.095 108.800 0.151 0.000 2.315 122 G HA2 -0.063 3.898 3.960 0.003 0.000 0.296 122 G HA3 -0.063 3.898 3.960 0.003 0.000 0.296 122 G C -3.007 172.033 174.900 0.233 0.000 1.289 122 G CA -0.990 44.200 45.100 0.150 0.000 0.996 122 G HN -0.174 nan 8.290 nan 0.000 0.487 123 P HA 0.494 nan 4.420 nan 0.000 0.276 123 P C 0.461 177.734 177.300 -0.045 0.000 1.252 123 P CA -0.545 62.648 63.100 0.155 0.000 0.802 123 P CB 0.755 32.523 31.700 0.113 0.000 1.035 124 L N 0.037 121.222 121.223 -0.062 0.000 2.514 124 L HA 0.203 4.545 4.340 0.003 0.000 0.280 124 L C 0.786 177.527 176.870 -0.216 0.000 1.223 124 L CA 0.288 54.985 54.840 -0.239 0.000 0.864 124 L CB -0.528 41.509 42.059 -0.036 0.000 1.118 124 L HN 0.326 nan 8.230 nan 0.000 0.494 125 N N 2.131 120.670 118.700 -0.269 0.000 2.177 125 N HA 0.292 5.033 4.740 0.003 0.000 0.218 125 N C -0.467 174.994 175.510 -0.082 0.000 1.182 125 N CA -0.294 52.683 53.050 -0.122 0.000 0.882 125 N CB 0.507 38.966 38.487 -0.048 0.000 1.052 125 N HN 0.737 nan 8.380 nan 0.000 0.519 126 M N 0.373 119.882 119.600 -0.151 0.000 2.465 126 M HA 0.530 5.012 4.480 0.003 0.000 0.284 126 M C -2.132 174.093 176.300 -0.124 0.000 1.212 126 M CA -0.405 54.828 55.300 -0.111 0.000 0.910 126 M CB 2.545 35.051 32.600 -0.158 0.000 1.725 126 M HN 0.011 nan 8.290 nan 0.000 0.477 127 I N 3.388 123.896 120.570 -0.103 0.000 2.509 127 I HA 0.565 4.736 4.170 0.003 0.000 0.293 127 I C -1.397 174.642 176.117 -0.130 0.000 1.020 127 I CA -0.612 60.608 61.300 -0.132 0.000 1.088 127 I CB 2.003 39.934 38.000 -0.116 0.000 1.267 127 I HN 0.640 nan 8.210 nan 0.000 0.430 128 L N 5.915 127.023 121.223 -0.191 0.000 2.401 128 L HA 0.532 4.873 4.340 0.003 0.000 0.263 128 L C -1.602 175.123 176.870 -0.242 0.000 1.004 128 L CA -0.234 54.505 54.840 -0.168 0.000 0.881 128 L CB 0.715 42.690 42.059 -0.141 0.000 1.219 128 L HN 0.507 nan 8.230 nan 0.000 0.441 129 D N 2.594 122.900 120.400 -0.157 0.000 2.342 129 D HA 0.352 4.993 4.640 0.003 0.000 0.243 129 D C -1.440 174.810 176.300 -0.083 0.000 1.019 129 D CA -0.041 53.866 54.000 -0.155 0.000 0.864 129 D CB 2.438 43.160 40.800 -0.130 0.000 1.315 129 D HN 0.423 nan 8.370 nan 0.000 0.468 130 D N 1.438 121.789 120.400 -0.083 0.000 2.358 130 D HA 0.453 5.095 4.640 0.003 0.000 0.253 130 D C 0.607 176.888 176.300 -0.032 0.000 1.288 130 D CA -0.289 53.700 54.000 -0.018 0.000 0.950 130 D CB 0.292 41.101 40.800 0.016 0.000 1.197 130 D HN 0.599 nan 8.370 nan 0.000 0.550 131 G N 1.940 110.737 108.800 -0.006 0.000 2.617 131 G HA2 -0.039 3.923 3.960 0.003 0.000 0.197 131 G HA3 -0.039 3.923 3.960 0.003 0.000 0.197 131 G C 1.046 175.946 174.900 0.001 0.000 1.017 131 G CA 0.476 45.582 45.100 0.011 0.000 0.713 131 G HN 1.466 nan 8.290 nan 0.000 0.481 132 G N 0.211 108.994 108.800 -0.028 0.000 2.234 132 G HA2 -0.273 3.689 3.960 0.003 0.000 0.235 132 G HA3 -0.273 3.689 3.960 0.003 0.000 0.235 132 G C 0.836 175.715 174.900 -0.035 0.000 0.997 132 G CA 1.010 46.090 45.100 -0.033 0.000 0.623 132 G HN 0.667 nan 8.290 nan 0.000 0.514 133 D N 0.527 120.911 120.400 -0.027 0.000 2.126 133 D HA -0.113 4.528 4.640 0.003 0.000 0.190 133 D C 2.522 178.763 176.300 -0.098 0.000 1.001 133 D CA 1.239 55.220 54.000 -0.031 0.000 0.841 133 D CB -0.346 40.467 40.800 0.022 0.000 0.949 133 D HN 0.399 nan 8.370 nan 0.000 0.446 134 L N 0.754 121.888 121.223 -0.147 0.000 1.956 134 L HA -0.248 4.094 4.340 0.003 0.000 0.216 134 L C 2.662 179.449 176.870 -0.139 0.000 1.073 134 L CA 2.516 57.237 54.840 -0.199 0.000 0.762 134 L CB -1.009 40.908 42.059 -0.236 0.000 0.889 134 L HN 0.243 nan 8.230 nan 0.000 0.433 135 T N -2.681 111.825 114.554 -0.081 0.000 2.778 135 T HA -0.250 4.102 4.350 0.003 0.000 0.269 135 T C 1.446 176.221 174.700 0.125 0.000 1.050 135 T CA 2.162 64.276 62.100 0.024 0.000 1.137 135 T CB -0.652 68.230 68.868 0.022 0.000 0.860 135 T HN 0.486 nan 8.240 nan 0.000 0.468 136 N N 0.506 119.222 118.700 0.027 0.000 2.109 136 N HA 0.140 4.882 4.740 0.003 0.000 0.188 136 N C 1.922 177.447 175.510 0.025 0.000 1.034 136 N CA 1.072 54.144 53.050 0.037 0.000 0.846 136 N CB -0.302 38.186 38.487 0.002 0.000 1.010 136 N HN 0.299 nan 8.380 nan 0.000 0.425 137 L N 0.690 121.877 121.223 -0.059 0.000 2.043 137 L HA -0.200 4.142 4.340 0.003 0.000 0.212 137 L C 1.616 178.381 176.870 -0.174 0.000 1.075 137 L CA 1.294 56.059 54.840 -0.126 0.000 0.752 137 L CB -0.175 41.743 42.059 -0.235 0.000 0.891 137 L HN 0.149 nan 8.230 nan 0.000 0.432 138 I N -0.586 119.866 120.570 -0.197 0.000 2.202 138 I HA -0.276 3.896 4.170 0.003 0.000 0.242 138 I C 2.310 178.369 176.117 -0.096 0.000 1.091 138 I CA 1.608 62.780 61.300 -0.213 0.000 1.368 138 I CB -0.767 37.085 38.000 -0.247 0.000 1.058 138 I HN 0.263 nan 8.210 nan 0.000 0.410 139 H N -0.576 118.471 119.070 -0.037 0.000 2.321 139 H HA -0.150 4.407 4.556 0.003 0.000 0.300 139 H C 2.398 177.736 175.328 0.017 0.000 1.087 139 H CA 2.354 58.398 56.048 -0.007 0.000 1.319 139 H CB -0.365 29.386 29.762 -0.019 0.000 1.379 139 H HN 0.429 nan 8.280 nan 0.000 0.501 140 T N -1.113 113.523 114.554 0.136 0.000 2.942 140 T HA -0.039 4.313 4.350 0.003 0.000 0.265 140 T C 1.502 176.264 174.700 0.103 0.000 1.062 140 T CA 0.998 63.156 62.100 0.097 0.000 1.139 140 T CB 0.208 69.118 68.868 0.071 0.000 0.883 140 T HN 0.318 nan 8.240 nan 0.000 0.468 141 K N -0.586 119.913 120.400 0.164 0.000 2.399 141 K HA 0.158 4.480 4.320 0.003 0.000 0.196 141 K C 0.391 177.188 176.600 0.327 0.000 1.117 141 K CA 0.212 56.655 56.287 0.261 0.000 0.965 141 K CB 0.392 33.107 32.500 0.360 0.000 0.983 141 K HN 0.402 nan 8.250 nan 0.000 0.531 142 H N 0.300 119.347 119.070 -0.038 0.000 2.481 142 H HA 0.236 4.793 4.556 0.003 0.000 0.273 142 H C -2.159 173.128 175.328 -0.068 0.000 1.145 142 H CA -2.526 53.495 56.048 -0.046 0.000 0.964 142 H CB 0.072 29.796 29.762 -0.063 0.000 1.722 142 H HN -0.001 nan 8.280 nan 0.000 0.573 143 P HA -0.218 nan 4.420 nan 0.000 0.219 143 P C 1.066 178.357 177.300 -0.016 0.000 1.145 143 P CA 1.484 64.576 63.100 -0.014 0.000 0.813 143 P CB 0.370 32.077 31.700 0.011 0.000 0.771 144 Q N -0.739 119.064 119.800 0.005 0.000 2.079 144 Q HA -0.101 4.240 4.340 0.003 0.000 0.200 144 Q C 2.083 178.087 176.000 0.007 0.000 0.974 144 Q CA 1.229 57.035 55.803 0.006 0.000 0.840 144 Q CB -1.156 27.587 28.738 0.009 0.000 0.898 144 Q HN 0.282 nan 8.270 nan 0.000 0.430 145 L N -0.211 121.022 121.223 0.016 0.000 2.141 145 L HA -0.119 4.222 4.340 0.003 0.000 0.209 145 L C 1.927 178.768 176.870 -0.049 0.000 1.094 145 L CA 0.153 54.992 54.840 -0.002 0.000 0.763 145 L CB -0.595 41.459 42.059 -0.008 0.000 0.908 145 L HN 0.228 nan 8.230 nan 0.000 0.437 146 L N 0.551 121.721 121.223 -0.089 0.000 2.058 146 L HA -0.331 4.011 4.340 0.003 0.000 0.226 146 L C 2.659 179.486 176.870 -0.071 0.000 1.089 146 L CA 2.391 57.149 54.840 -0.138 0.000 0.799 146 L CB -1.383 40.574 42.059 -0.170 0.000 0.900 146 L HN 0.365 nan 8.230 nan 0.000 0.442 147 S N -1.142 114.536 115.700 -0.037 0.000 2.537 147 S HA -0.040 4.431 4.470 0.003 0.000 0.240 147 S C 1.773 176.368 174.600 -0.007 0.000 0.981 147 S CA 0.688 58.880 58.200 -0.014 0.000 0.948 147 S CB -0.493 62.705 63.200 -0.004 0.000 0.759 147 S HN 0.619 nan 8.310 nan 0.000 0.531 148 G N 1.028 109.819 108.800 -0.016 0.000 2.656 148 G HA2 0.259 4.221 3.960 0.003 0.000 0.211 148 G HA3 0.259 4.221 3.960 0.003 0.000 0.211 148 G C 0.351 175.248 174.900 -0.004 0.000 1.137 148 G CA -0.391 44.705 45.100 -0.006 0.000 0.802 148 G HN 0.461 nan 8.290 nan 0.000 0.527 149 I N 0.943 121.498 120.570 -0.024 0.000 2.452 149 I HA 0.231 4.403 4.170 0.003 0.000 0.287 149 I C 1.592 177.723 176.117 0.024 0.000 1.079 149 I CA -0.215 61.074 61.300 -0.018 0.000 1.387 149 I CB 1.560 39.527 38.000 -0.055 0.000 1.404 149 I HN -0.028 nan 8.210 nan 0.000 0.522 150 R N 3.989 124.534 120.500 0.074 0.000 2.153 150 R HA 0.168 4.509 4.340 0.003 0.000 0.218 150 R C 0.629 176.975 176.300 0.077 0.000 1.072 150 R CA 0.657 56.817 56.100 0.099 0.000 0.990 150 R CB 0.258 30.675 30.300 0.196 0.000 0.889 150 R HN 0.933 nan 8.270 nan 0.000 0.452 151 G N -0.780 108.053 108.800 0.055 0.000 2.466 151 G HA2 0.380 4.342 3.960 0.003 0.000 0.291 151 G HA3 0.380 4.342 3.960 0.003 0.000 0.291 151 G C -1.395 173.499 174.900 -0.010 0.000 1.460 151 G CA -0.837 44.276 45.100 0.022 0.000 0.791 151 G HN 0.008 nan 8.290 nan 0.000 0.505 152 I N -0.162 120.391 120.570 -0.027 0.000 2.910 152 I HA 0.699 4.871 4.170 0.003 0.000 0.310 152 I C -0.148 175.931 176.117 -0.062 0.000 1.043 152 I CA -1.048 60.225 61.300 -0.046 0.000 1.053 152 I CB 2.363 40.341 38.000 -0.036 0.000 1.242 152 I HN 0.381 nan 8.210 nan 0.000 0.452 153 S N 2.177 117.839 115.700 -0.064 0.000 2.733 153 S HA 0.381 4.852 4.470 0.003 0.000 0.294 153 S C -1.045 173.527 174.600 -0.047 0.000 1.149 153 S CA -0.381 57.788 58.200 -0.052 0.000 1.034 153 S CB 1.214 64.394 63.200 -0.033 0.000 1.015 153 S HN 0.527 nan 8.310 nan 0.000 0.486 154 E N 2.087 122.260 120.200 -0.045 0.000 2.199 154 E HA 0.409 4.761 4.350 0.003 0.000 0.269 154 E C -0.001 176.601 176.600 0.003 0.000 0.899 154 E CA -0.586 55.792 56.400 -0.036 0.000 0.772 154 E CB 1.028 30.684 29.700 -0.073 0.000 1.155 154 E HN 0.712 nan 8.360 nan 0.000 0.408 155 E N 1.347 121.568 120.200 0.035 0.000 2.660 155 E HA 0.166 4.518 4.350 0.003 0.000 0.216 155 E C -0.248 176.395 176.600 0.071 0.000 0.986 155 E CA -0.351 56.093 56.400 0.072 0.000 1.037 155 E CB 0.532 30.308 29.700 0.127 0.000 1.041 155 E HN 0.363 nan 8.360 nan 0.000 0.480 156 T N -2.540 112.038 114.554 0.040 0.000 2.908 156 T HA 0.297 4.649 4.350 0.003 0.000 0.290 156 T C 1.001 175.682 174.700 -0.032 0.000 1.034 156 T CA -0.190 61.928 62.100 0.030 0.000 1.010 156 T CB 1.806 70.706 68.868 0.054 0.000 1.068 156 T HN -0.080 nan 8.240 nan 0.000 0.481 157 T N 1.609 116.117 114.554 -0.077 0.000 2.674 157 T HA -0.111 4.241 4.350 0.003 0.000 0.265 157 T C 2.054 176.553 174.700 -0.335 0.000 1.039 157 T CA 2.054 63.994 62.100 -0.266 0.000 1.150 157 T CB -1.061 67.630 68.868 -0.294 0.000 0.864 157 T HN 0.800 nan 8.240 nan 0.000 0.427 158 T N 1.583 116.058 114.554 -0.132 0.000 2.607 158 T HA -0.123 4.228 4.350 0.003 0.000 0.267 158 T C 2.317 177.025 174.700 0.013 0.000 1.049 158 T CA 1.611 63.708 62.100 -0.004 0.000 1.162 158 T CB -1.211 67.699 68.868 0.071 0.000 0.863 158 T HN 0.551 nan 8.240 nan 0.000 0.424 159 G N 0.913 109.712 108.800 -0.002 0.000 2.513 159 G HA2 -0.224 3.737 3.960 0.003 0.000 0.219 159 G HA3 -0.224 3.737 3.960 0.003 0.000 0.219 159 G C 1.701 176.580 174.900 -0.035 0.000 1.160 159 G CA 1.268 46.361 45.100 -0.013 0.000 0.767 159 G HN 0.475 nan 8.290 nan 0.000 0.571 160 V N -0.072 119.811 119.914 -0.052 0.000 2.548 160 V HA -0.120 4.001 4.120 0.003 0.000 0.249 160 V C 2.320 178.461 176.094 0.078 0.000 1.055 160 V CA 1.894 64.145 62.300 -0.080 0.000 1.065 160 V CB -0.794 30.997 31.823 -0.054 0.000 0.681 160 V HN 0.528 nan 8.190 nan 0.000 0.462 161 H N 0.467 119.591 119.070 0.091 0.000 2.290 161 H HA -0.218 4.339 4.556 0.002 0.000 0.298 161 H C 2.456 177.834 175.328 0.084 0.000 1.087 161 H CA 1.773 57.904 56.048 0.139 0.000 1.291 161 H CB 0.012 29.826 29.762 0.086 0.000 1.369 161 H HN 0.518 nan 8.280 nan 0.000 0.492 162 N N 1.103 119.903 118.700 0.167 0.000 2.149 162 N HA -0.151 4.590 4.740 0.003 0.000 0.188 162 N C 1.883 177.390 175.510 -0.005 0.000 1.019 162 N CA 0.895 53.983 53.050 0.062 0.000 0.857 162 N CB -0.438 38.068 38.487 0.031 0.000 0.997 162 N HN 0.312 nan 8.380 nan 0.000 0.426 163 L N -0.949 120.240 121.223 -0.057 0.000 2.017 163 L HA -0.195 4.147 4.340 0.003 0.000 0.208 163 L C 1.775 178.552 176.870 -0.156 0.000 1.073 163 L CA 1.288 56.027 54.840 -0.169 0.000 0.745 163 L CB -0.467 41.423 42.059 -0.281 0.000 0.894 163 L HN 0.235 nan 8.230 nan 0.000 0.432 164 Y N 0.133 120.407 120.300 -0.043 0.000 2.224 164 Y HA -0.283 4.268 4.550 0.003 0.000 0.289 164 Y C 2.604 178.472 175.900 -0.052 0.000 1.146 164 Y CA 1.386 59.454 58.100 -0.054 0.000 1.182 164 Y CB -0.411 38.032 38.460 -0.029 0.000 0.983 164 Y HN 0.156 nan 8.280 nan 0.000 0.524 165 K N 0.685 121.150 120.400 0.109 0.000 1.984 165 K HA -0.189 4.133 4.320 0.003 0.000 0.209 165 K C 1.928 178.527 176.600 -0.001 0.000 1.046 165 K CA 1.844 58.156 56.287 0.041 0.000 0.934 165 K CB -0.600 31.916 32.500 0.026 0.000 0.717 165 K HN 0.307 nan 8.250 nan 0.000 0.438 166 M N 0.458 120.034 119.600 -0.041 0.000 2.082 166 M HA -0.231 4.250 4.480 0.003 0.000 0.258 166 M C 2.514 178.775 176.300 -0.065 0.000 1.069 166 M CA 2.110 57.359 55.300 -0.085 0.000 1.102 166 M CB -0.446 32.045 32.600 -0.182 0.000 1.336 166 M HN 0.184 nan 8.290 nan 0.000 0.404 167 M N 0.884 120.449 119.600 -0.058 0.000 2.082 167 M HA -0.149 4.333 4.480 0.003 0.000 0.258 167 M C 2.190 178.486 176.300 -0.006 0.000 1.069 167 M CA 2.269 57.549 55.300 -0.034 0.000 1.102 167 M CB -0.678 31.905 32.600 -0.027 0.000 1.336 167 M HN 0.249 nan 8.290 nan 0.000 0.404 168 A N -0.185 122.641 122.820 0.011 0.000 2.076 168 A HA -0.133 4.188 4.320 0.003 0.000 0.220 168 A C 1.489 179.073 177.584 0.000 0.000 1.160 168 A CA 1.854 53.897 52.037 0.010 0.000 0.653 168 A CB -0.907 18.100 19.000 0.012 0.000 0.801 168 A HN 0.712 nan 8.150 nan 0.000 0.455 169 N N -0.870 117.826 118.700 -0.006 0.000 2.268 169 N HA 0.217 4.959 4.740 0.003 0.000 0.204 169 N C 1.120 176.627 175.510 -0.005 0.000 1.124 169 N CA 0.803 53.849 53.050 -0.006 0.000 0.838 169 N CB 0.290 38.771 38.487 -0.011 0.000 0.994 169 N HN 0.544 nan 8.380 nan 0.000 0.489 170 G N 1.220 110.017 108.800 -0.005 0.000 2.186 170 G HA2 -0.338 3.624 3.960 0.003 0.000 0.266 170 G HA3 -0.338 3.624 3.960 0.003 0.000 0.266 170 G C 1.014 175.916 174.900 0.004 0.000 0.982 170 G CA 0.762 45.863 45.100 0.003 0.000 0.670 170 G HN 0.444 nan 8.290 nan 0.000 0.533 171 I N -0.145 120.416 120.570 -0.015 0.000 2.315 171 I HA 0.053 4.225 4.170 0.003 0.000 0.248 171 I C 1.755 177.853 176.117 -0.032 0.000 1.117 171 I CA 0.335 61.623 61.300 -0.019 0.000 1.404 171 I CB -0.205 37.757 38.000 -0.064 0.000 1.071 171 I HN 0.179 nan 8.210 nan 0.000 0.419 172 L N 3.472 124.640 121.223 -0.091 0.000 2.584 172 L HA -0.053 4.289 4.340 0.003 0.000 0.272 172 L C 0.922 177.843 176.870 0.085 0.000 1.195 172 L CA 0.935 55.728 54.840 -0.079 0.000 0.920 172 L CB 0.436 42.442 42.059 -0.088 0.000 1.173 172 L HN 0.347 nan 8.230 nan 0.000 0.489 173 K N 4.115 124.671 120.400 0.260 0.000 2.399 173 K HA 0.136 4.457 4.320 0.003 0.000 0.196 173 K C 0.098 176.772 176.600 0.124 0.000 1.103 173 K CA 0.156 56.543 56.287 0.167 0.000 0.986 173 K CB 0.916 33.500 32.500 0.139 0.000 0.952 173 K HN 0.440 nan 8.250 nan 0.000 0.541 174 V N 4.322 124.332 119.914 0.160 0.000 2.495 174 V HA 0.384 4.506 4.120 0.003 0.000 0.298 174 V C -2.778 173.368 176.094 0.087 0.000 1.031 174 V CA -2.684 59.672 62.300 0.093 0.000 0.871 174 V CB 1.987 33.843 31.823 0.054 0.000 0.988 174 V HN -0.053 nan 8.190 nan 0.000 0.432 175 P HA 0.323 nan 4.420 nan 0.000 0.267 175 P C -0.667 176.668 177.300 0.059 0.000 1.200 175 P CA 0.186 63.358 63.100 0.119 0.000 0.772 175 P CB 1.116 32.929 31.700 0.187 0.000 0.855 176 A N 3.168 126.016 122.820 0.047 0.000 2.435 176 A HA 0.798 5.120 4.320 0.003 0.000 0.296 176 A C -0.794 176.765 177.584 -0.041 0.000 1.147 176 A CA -0.873 51.140 52.037 -0.040 0.000 0.775 176 A CB 1.322 20.256 19.000 -0.109 0.000 1.340 176 A HN 0.488 nan 8.150 nan 0.000 0.427 177 I N 1.834 122.343 120.570 -0.102 0.000 2.468 177 I HA 0.176 4.348 4.170 0.003 0.000 0.284 177 I C -0.755 175.312 176.117 -0.083 0.000 1.038 177 I CA -0.644 60.595 61.300 -0.103 0.000 1.083 177 I CB 1.811 39.715 38.000 -0.159 0.000 1.223 177 I HN 0.729 nan 8.210 nan 0.000 0.443 178 N N 6.333 124.972 118.700 -0.101 0.000 2.415 178 N HA 0.064 4.806 4.740 0.003 0.000 0.250 178 N C 0.195 175.753 175.510 0.081 0.000 1.127 178 N CA 0.236 53.245 53.050 -0.068 0.000 0.945 178 N CB 1.288 39.662 38.487 -0.188 0.000 1.196 178 N HN 0.405 nan 8.380 nan 0.000 0.499 179 V N 3.532 123.485 119.914 0.065 0.000 3.608 179 V HA 0.012 4.134 4.120 0.003 0.000 0.269 179 V C 1.813 177.972 176.094 0.109 0.000 1.245 179 V CA 0.349 62.706 62.300 0.096 0.000 1.138 179 V CB -0.677 31.187 31.823 0.069 0.000 0.841 179 V HN 0.671 nan 8.190 nan 0.000 0.451 180 N N 0.894 119.656 118.700 0.103 0.000 2.244 180 N HA -0.132 4.610 4.740 0.003 0.000 0.183 180 N C 1.322 176.906 175.510 0.124 0.000 1.016 180 N CA 1.546 54.655 53.050 0.098 0.000 0.866 180 N CB -0.042 38.487 38.487 0.070 0.000 0.980 180 N HN 0.423 nan 8.380 nan 0.000 0.430 181 D N -0.235 120.285 120.400 0.199 0.000 2.325 181 D HA 0.085 4.727 4.640 0.003 0.000 0.225 181 D C -0.310 176.071 176.300 0.134 0.000 1.096 181 D CA 0.095 54.223 54.000 0.213 0.000 0.844 181 D CB 0.201 41.258 40.800 0.429 0.000 0.925 181 D HN 0.138 nan 8.370 nan 0.000 0.513 182 S N 0.170 115.941 115.700 0.119 0.000 2.576 182 S HA 0.018 4.489 4.470 0.003 0.000 0.276 182 S C 1.807 176.423 174.600 0.026 0.000 1.339 182 S CA -0.504 57.737 58.200 0.068 0.000 1.039 182 S CB 2.284 65.525 63.200 0.068 0.000 0.902 182 S HN 0.167 nan 8.310 nan 0.000 0.516 183 V N 2.057 121.955 119.914 -0.027 0.000 2.548 183 V HA -0.123 3.998 4.120 0.003 0.000 0.249 183 V C 2.034 178.118 176.094 -0.017 0.000 1.055 183 V CA 2.191 64.452 62.300 -0.065 0.000 1.065 183 V CB -1.540 30.148 31.823 -0.225 0.000 0.681 183 V HN 1.032 nan 8.190 nan 0.000 0.462 184 T N -2.611 111.947 114.554 0.007 0.000 2.951 184 T HA -0.099 4.253 4.350 0.003 0.000 0.268 184 T C 1.951 176.743 174.700 0.153 0.000 1.073 184 T CA 1.428 63.593 62.100 0.109 0.000 1.134 184 T CB -0.336 68.535 68.868 0.006 0.000 0.884 184 T HN 0.464 nan 8.240 nan 0.000 0.479 185 K N 1.948 122.392 120.400 0.073 0.000 2.005 185 K HA -0.033 4.288 4.320 0.003 0.000 0.206 185 K C 2.802 179.450 176.600 0.081 0.000 1.044 185 K CA 1.797 58.124 56.287 0.068 0.000 0.942 185 K CB -0.828 31.709 32.500 0.062 0.000 0.727 185 K HN 0.525 nan 8.250 nan 0.000 0.439 186 S N 1.567 117.297 115.700 0.050 0.000 2.353 186 S HA -0.133 4.338 4.470 0.003 0.000 0.222 186 S C 1.959 176.533 174.600 -0.044 0.000 1.035 186 S CA 1.065 59.271 58.200 0.011 0.000 1.025 186 S CB -0.368 62.834 63.200 0.003 0.000 0.902 186 S HN 0.226 nan 8.310 nan 0.000 0.440 187 K N 0.404 120.762 120.400 -0.070 0.000 2.074 187 K HA -0.046 4.276 4.320 0.003 0.000 0.209 187 K C 1.851 178.270 176.600 -0.303 0.000 1.048 187 K CA 1.425 57.561 56.287 -0.252 0.000 0.926 187 K CB -0.500 31.854 32.500 -0.244 0.000 0.713 187 K HN 0.479 nan 8.250 nan 0.000 0.444 188 F N 1.298 121.235 119.950 -0.022 0.000 2.149 188 F HA -0.126 4.403 4.527 0.004 0.000 0.294 188 F C 2.356 178.058 175.800 -0.163 0.000 1.095 188 F CA 1.216 59.223 58.000 0.011 0.000 1.276 188 F CB -0.364 38.622 39.000 -0.023 0.000 1.023 188 F HN 0.041 nan 8.300 nan 0.000 0.480 189 D N -0.133 120.284 120.400 0.029 0.000 2.117 189 D HA -0.156 4.486 4.640 0.003 0.000 0.197 189 D C 1.747 177.995 176.300 -0.087 0.000 0.987 189 D CA 1.519 55.489 54.000 -0.051 0.000 0.829 189 D CB -0.132 40.697 40.800 0.047 0.000 0.961 189 D HN 0.120 nan 8.370 nan 0.000 0.460 190 N N 0.002 118.651 118.700 -0.085 0.000 2.319 190 N HA -0.055 4.686 4.740 0.003 0.000 0.189 190 N C 1.740 177.146 175.510 -0.173 0.000 1.042 190 N CA 0.093 53.087 53.050 -0.093 0.000 0.879 190 N CB -0.676 37.757 38.487 -0.091 0.000 1.052 190 N HN 0.158 nan 8.380 nan 0.000 0.446 191 L N 0.953 121.997 121.223 -0.297 0.000 1.950 191 L HA -0.068 4.274 4.340 0.003 0.000 0.210 191 L C 2.107 178.763 176.870 -0.358 0.000 1.079 191 L CA 1.859 56.445 54.840 -0.424 0.000 0.754 191 L CB -1.370 40.250 42.059 -0.732 0.000 0.889 191 L HN 0.056 nan 8.230 nan 0.000 0.433 192 Y N 0.404 120.537 120.300 -0.278 0.000 2.224 192 Y HA -0.091 4.461 4.550 0.003 0.000 0.289 192 Y C 2.573 178.369 175.900 -0.174 0.000 1.146 192 Y CA 0.950 58.891 58.100 -0.265 0.000 1.182 192 Y CB -1.467 36.699 38.460 -0.490 0.000 0.983 192 Y HN 0.272 nan 8.280 nan 0.000 0.524 193 G N -0.819 107.899 108.800 -0.137 0.000 2.484 193 G HA2 -0.250 3.712 3.960 0.003 0.000 0.215 193 G HA3 -0.250 3.712 3.960 0.003 0.000 0.215 193 G C 1.755 176.659 174.900 0.006 0.000 1.219 193 G CA 1.378 46.259 45.100 -0.366 0.000 0.791 193 G HN 0.476 nan 8.290 nan 0.000 0.550 194 C N 0.016 119.361 119.300 0.076 0.000 2.410 194 C HA 0.069 4.531 4.460 0.003 0.000 0.281 194 C C 2.772 177.811 174.990 0.082 0.000 1.318 194 C CA 0.682 59.790 59.018 0.151 0.000 1.776 194 C CB -1.016 26.777 27.740 0.088 0.000 1.942 194 C HN 0.527 nan 8.230 nan 0.000 0.508 195 R N 1.006 121.533 120.500 0.046 0.000 2.096 195 R HA -0.112 4.230 4.340 0.003 0.000 0.235 195 R C 2.188 178.543 176.300 0.092 0.000 1.127 195 R CA 1.324 57.458 56.100 0.057 0.000 0.968 195 R CB -0.083 30.250 30.300 0.056 0.000 0.861 195 R HN 0.599 nan 8.270 nan 0.000 0.440 196 E N -0.081 120.181 120.200 0.103 0.000 2.033 196 E HA -0.091 4.261 4.350 0.003 0.000 0.189 196 E C 1.971 178.646 176.600 0.125 0.000 0.979 196 E CA 1.571 58.038 56.400 0.113 0.000 0.802 196 E CB -0.089 29.678 29.700 0.112 0.000 0.763 196 E HN 0.395 nan 8.360 nan 0.000 0.449 197 S N 1.653 117.438 115.700 0.142 0.000 2.436 197 S HA -0.074 4.398 4.470 0.003 0.000 0.228 197 S C 2.105 176.754 174.600 0.082 0.000 1.014 197 S CA 0.383 58.653 58.200 0.116 0.000 0.950 197 S CB -0.380 62.897 63.200 0.127 0.000 0.784 197 S HN 0.118 nan 8.310 nan 0.000 0.504 198 L N 2.773 124.045 121.223 0.083 0.000 1.963 198 L HA -0.132 4.209 4.340 0.003 0.000 0.220 198 L C 2.120 179.016 176.870 0.044 0.000 1.076 198 L CA 1.944 56.817 54.840 0.055 0.000 0.772 198 L CB -0.870 41.221 42.059 0.054 0.000 0.892 198 L HN 0.284 nan 8.230 nan 0.000 0.435 199 I N -0.388 120.218 120.570 0.061 0.000 2.454 199 I HA -0.237 3.934 4.170 0.003 0.000 0.254 199 I C 2.206 178.321 176.117 -0.002 0.000 1.156 199 I CA 1.478 62.784 61.300 0.010 0.000 1.433 199 I CB -1.286 36.739 38.000 0.042 0.000 1.082 199 I HN 0.436 nan 8.210 nan 0.000 0.432 200 D N 1.393 121.819 120.400 0.042 0.000 2.117 200 D HA -0.124 4.518 4.640 0.003 0.000 0.197 200 D C 2.196 178.506 176.300 0.017 0.000 0.987 200 D CA 1.580 55.602 54.000 0.036 0.000 0.829 200 D CB -0.138 40.696 40.800 0.057 0.000 0.961 200 D HN 0.314 nan 8.370 nan 0.000 0.460 201 G N 0.843 109.654 108.800 0.019 0.000 2.484 201 G HA2 -0.217 3.745 3.960 0.003 0.000 0.215 201 G HA3 -0.217 3.745 3.960 0.003 0.000 0.215 201 G C 1.919 176.821 174.900 0.004 0.000 1.219 201 G CA 0.902 46.010 45.100 0.014 0.000 0.791 201 G HN 0.354 nan 8.290 nan 0.000 0.550 202 I N 0.568 121.136 120.570 -0.004 0.000 2.185 202 I HA -0.232 3.940 4.170 0.003 0.000 0.246 202 I C 2.823 178.920 176.117 -0.033 0.000 1.088 202 I CA 1.316 62.606 61.300 -0.016 0.000 1.347 202 I CB -0.166 37.813 38.000 -0.035 0.000 1.041 202 I HN 0.053 nan 8.210 nan 0.000 0.415 203 K N 0.675 121.042 120.400 -0.054 0.000 2.062 203 K HA -0.074 4.247 4.320 0.003 0.000 0.205 203 K C 2.186 178.770 176.600 -0.026 0.000 1.051 203 K CA 1.211 57.462 56.287 -0.060 0.000 0.941 203 K CB -0.363 32.089 32.500 -0.081 0.000 0.719 203 K HN 0.353 nan 8.250 nan 0.000 0.440 204 R N 0.289 120.783 120.500 -0.010 0.000 2.120 204 R HA -0.045 4.297 4.340 0.003 0.000 0.234 204 R C 2.179 178.481 176.300 0.003 0.000 1.123 204 R CA 1.162 57.263 56.100 0.002 0.000 0.975 204 R CB -0.128 30.179 30.300 0.012 0.000 0.866 204 R HN 0.154 nan 8.270 nan 0.000 0.446 205 A N -0.033 122.789 122.820 0.003 0.000 1.943 205 A HA -0.074 4.248 4.320 0.003 0.000 0.213 205 A C 2.013 179.599 177.584 0.005 0.000 1.181 205 A CA 1.552 53.594 52.037 0.008 0.000 0.653 205 A CB -0.051 18.959 19.000 0.017 0.000 0.833 205 A HN 0.422 nan 8.150 nan 0.000 0.451 206 T N -6.003 108.550 114.554 -0.002 0.000 2.959 206 T HA 0.160 4.512 4.350 0.003 0.000 0.254 206 T C 0.151 174.842 174.700 -0.014 0.000 1.003 206 T CA 0.757 62.854 62.100 -0.005 0.000 0.950 206 T CB 0.112 68.980 68.868 -0.001 0.000 1.090 206 T HN 0.240 nan 8.240 nan 0.000 0.503 207 D N 0.761 121.147 120.400 -0.024 0.000 2.751 207 D HA -0.120 4.521 4.640 0.003 0.000 0.233 207 D C -0.200 176.078 176.300 -0.037 0.000 1.149 207 D CA 0.403 54.385 54.000 -0.030 0.000 0.682 207 D CB -1.592 39.198 40.800 -0.016 0.000 1.068 207 D HN 0.492 nan 8.370 nan 0.000 0.429 208 V N 0.808 120.693 119.914 -0.048 0.000 2.509 208 V HA 0.309 4.431 4.120 0.003 0.000 0.284 208 V C 0.696 176.743 176.094 -0.078 0.000 1.047 208 V CA -0.639 61.632 62.300 -0.048 0.000 0.952 208 V CB 1.645 33.447 31.823 -0.036 0.000 0.988 208 V HN 0.233 nan 8.190 nan 0.000 0.469 209 M N 6.712 126.278 119.600 -0.056 0.000 2.246 209 M HA 0.200 4.681 4.480 0.003 0.000 0.350 209 M C 0.325 176.582 176.300 -0.071 0.000 1.406 209 M CA 0.197 55.462 55.300 -0.059 0.000 1.089 209 M CB 0.559 33.146 32.600 -0.021 0.000 1.782 209 M HN 0.602 nan 8.290 nan 0.000 0.457 210 I N 3.677 124.178 120.570 -0.114 0.000 2.585 210 I HA 0.119 4.291 4.170 0.003 0.000 0.254 210 I C 1.322 177.444 176.117 0.008 0.000 1.129 210 I CA 0.512 61.758 61.300 -0.091 0.000 1.455 210 I CB -1.828 36.043 38.000 -0.215 0.000 1.111 210 I HN 0.806 nan 8.210 nan 0.000 0.433 211 A N 0.507 123.358 122.820 0.053 0.000 2.520 211 A HA 0.372 4.693 4.320 0.003 0.000 0.235 211 A C 1.587 179.194 177.584 0.037 0.000 1.065 211 A CA 0.781 52.862 52.037 0.073 0.000 0.764 211 A CB -0.471 18.582 19.000 0.088 0.000 1.002 211 A HN 0.797 nan 8.150 nan 0.000 0.502 212 G N 0.690 109.511 108.800 0.035 0.000 2.189 212 G HA2 -0.253 3.709 3.960 0.003 0.000 0.267 212 G HA3 -0.253 3.709 3.960 0.003 0.000 0.267 212 G C 0.313 175.219 174.900 0.009 0.000 0.975 212 G CA 1.065 46.177 45.100 0.020 0.000 0.644 212 G HN 0.861 nan 8.290 nan 0.000 0.537 213 K N -0.387 120.016 120.400 0.006 0.000 2.166 213 K HA 0.623 4.945 4.320 0.003 0.000 0.245 213 K C -0.018 176.567 176.600 -0.024 0.000 0.967 213 K CA -0.788 55.492 56.287 -0.012 0.000 0.863 213 K CB 2.167 34.655 32.500 -0.019 0.000 1.107 213 K HN -0.011 nan 8.250 nan 0.000 0.436 214 V N 2.241 122.124 119.914 -0.051 0.000 2.364 214 V HA 0.354 4.476 4.120 0.003 0.000 0.272 214 V C -0.270 175.728 176.094 -0.160 0.000 1.036 214 V CA -0.702 61.547 62.300 -0.084 0.000 0.880 214 V CB 0.957 32.728 31.823 -0.087 0.000 0.991 214 V HN 0.821 nan 8.190 nan 0.000 0.460 215 A N 5.148 127.880 122.820 -0.147 0.000 2.288 215 A HA 0.793 5.115 4.320 0.003 0.000 0.320 215 A C -0.642 176.788 177.584 -0.256 0.000 1.217 215 A CA -0.510 51.404 52.037 -0.206 0.000 0.840 215 A CB 1.364 20.302 19.000 -0.102 0.000 1.179 215 A HN 0.630 nan 8.150 nan 0.000 0.504 216 V N 3.911 123.571 119.914 -0.423 0.000 2.328 216 V HA 0.311 4.432 4.120 0.003 0.000 0.278 216 V C -0.296 175.688 176.094 -0.183 0.000 1.021 216 V CA -0.415 61.681 62.300 -0.340 0.000 0.838 216 V CB 1.196 32.707 31.823 -0.519 0.000 0.999 216 V HN 0.612 nan 8.190 nan 0.000 0.447 217 V N 4.480 124.324 119.914 -0.116 0.000 2.350 217 V HA 0.610 4.732 4.120 0.003 0.000 0.276 217 V C 0.647 176.721 176.094 -0.033 0.000 1.028 217 V CA -0.598 61.666 62.300 -0.061 0.000 0.860 217 V CB 1.499 33.279 31.823 -0.072 0.000 0.990 217 V HN 0.906 nan 8.190 nan 0.000 0.453 218 A N 4.365 127.184 122.820 -0.003 0.000 2.310 218 A HA 0.758 5.080 4.320 0.003 0.000 0.300 218 A C 0.759 178.349 177.584 0.010 0.000 1.269 218 A CA 0.451 52.489 52.037 0.002 0.000 0.909 218 A CB -0.342 18.664 19.000 0.009 0.000 1.144 218 A HN 1.978 nan 8.150 nan 0.000 0.540 219 G N 0.621 109.433 108.800 0.021 0.000 2.906 219 G HA2 0.009 3.971 3.960 0.003 0.000 0.686 219 G HA3 0.009 3.971 3.960 0.003 0.000 0.686 219 G C -0.768 174.181 174.900 0.082 0.000 1.170 219 G CA -0.342 44.781 45.100 0.038 0.000 0.775 219 G HN 1.378 nan 8.290 nan 0.000 0.630 220 Y N 2.518 122.779 120.300 -0.065 0.000 2.669 220 Y HA 0.526 5.080 4.550 0.008 0.000 0.302 220 Y C 1.273 177.136 175.900 -0.062 0.000 1.000 220 Y CA 0.292 58.344 58.100 -0.080 0.000 1.222 220 Y CB 0.072 38.486 38.460 -0.077 0.000 1.209 220 Y HN 0.939 nan 8.280 nan 0.000 0.571 221 G N 0.025 108.744 108.800 -0.136 0.000 2.504 221 G HA2 -0.004 3.958 3.960 0.003 0.000 0.257 221 G HA3 -0.004 3.958 3.960 0.003 0.000 0.257 221 G C 0.481 175.227 174.900 -0.257 0.000 1.451 221 G CA 0.004 45.013 45.100 -0.151 0.000 1.059 221 G HN 0.217 nan 8.290 nan 0.000 0.550 222 D N -1.249 119.033 120.400 -0.196 0.000 2.123 222 D HA -0.118 4.524 4.640 0.003 0.000 0.196 222 D C 2.687 178.848 176.300 -0.232 0.000 0.992 222 D CA 0.746 54.606 54.000 -0.233 0.000 0.833 222 D CB -0.262 40.427 40.800 -0.185 0.000 0.954 222 D HN 0.048 nan 8.370 nan 0.000 0.455 223 V N 0.570 120.387 119.914 -0.161 0.000 2.270 223 V HA -0.126 3.996 4.120 0.003 0.000 0.245 223 V C 2.537 178.545 176.094 -0.144 0.000 1.043 223 V CA 2.013 64.240 62.300 -0.121 0.000 1.014 223 V CB -1.006 30.780 31.823 -0.062 0.000 0.645 223 V HN 0.257 nan 8.190 nan 0.000 0.447 224 G N -0.551 108.153 108.800 -0.159 0.000 2.450 224 G HA2 -0.291 3.671 3.960 0.003 0.000 0.220 224 G HA3 -0.291 3.671 3.960 0.003 0.000 0.220 224 G C 1.679 176.410 174.900 -0.283 0.000 1.130 224 G CA 1.079 46.083 45.100 -0.160 0.000 0.760 224 G HN 0.464 nan 8.290 nan 0.000 0.557 225 K N -0.119 119.989 120.400 -0.488 0.000 2.025 225 K HA 0.000 4.322 4.320 0.003 0.000 0.207 225 K C 2.772 179.220 176.600 -0.254 0.000 1.049 225 K CA 1.040 56.980 56.287 -0.579 0.000 0.933 225 K CB -0.394 31.743 32.500 -0.606 0.000 0.714 225 K HN 0.259 nan 8.250 nan 0.000 0.438 226 G N 0.429 109.102 108.800 -0.211 0.000 2.402 226 G HA2 -0.235 3.727 3.960 0.003 0.000 0.216 226 G HA3 -0.235 3.727 3.960 0.003 0.000 0.216 226 G C 1.593 176.462 174.900 -0.051 0.000 1.162 226 G CA 0.910 45.938 45.100 -0.120 0.000 0.777 226 G HN 0.324 nan 8.290 nan 0.000 0.539 227 C N 0.899 120.163 119.300 -0.060 0.000 2.453 227 C HA 0.199 4.660 4.460 0.003 0.000 0.277 227 C C 3.543 178.524 174.990 -0.015 0.000 1.262 227 C CA 0.842 59.847 59.018 -0.021 0.000 1.718 227 C CB -0.917 26.806 27.740 -0.029 0.000 2.031 227 C HN 0.559 nan 8.230 nan 0.000 0.480 228 A N -0.187 122.595 122.820 -0.063 0.000 1.877 228 A HA -0.280 4.042 4.320 0.003 0.000 0.216 228 A C 2.153 179.771 177.584 0.057 0.000 1.186 228 A CA 1.998 53.978 52.037 -0.095 0.000 0.620 228 A CB -0.818 18.004 19.000 -0.297 0.000 0.822 228 A HN 0.729 nan 8.150 nan 0.000 0.443 229 Q N -0.623 119.230 119.800 0.088 0.000 2.050 229 Q HA -0.151 4.190 4.340 0.003 0.000 0.202 229 Q C 2.276 178.339 176.000 0.105 0.000 0.980 229 Q CA 1.678 57.566 55.803 0.142 0.000 0.840 229 Q CB -0.378 28.413 28.738 0.088 0.000 0.898 229 Q HN 0.614 nan 8.270 nan 0.000 0.424 230 A N 0.869 123.739 122.820 0.084 0.000 1.859 230 A HA -0.238 4.083 4.320 0.003 0.000 0.217 230 A C 2.076 179.773 177.584 0.190 0.000 1.198 230 A CA 1.758 53.864 52.037 0.115 0.000 0.629 230 A CB -1.081 17.993 19.000 0.123 0.000 0.830 230 A HN 0.459 nan 8.150 nan 0.000 0.446 231 L N -1.155 120.174 121.223 0.176 0.000 2.012 231 L HA -0.223 4.119 4.340 0.003 0.000 0.210 231 L C 2.811 179.799 176.870 0.197 0.000 1.073 231 L CA 1.949 56.908 54.840 0.199 0.000 0.748 231 L CB -0.477 41.641 42.059 0.098 0.000 0.891 231 L HN 0.499 nan 8.230 nan 0.000 0.431 232 R N 0.289 120.889 120.500 0.166 0.000 2.105 232 R HA -0.162 4.179 4.340 0.003 0.000 0.239 232 R C 2.134 178.487 176.300 0.089 0.000 1.135 232 R CA 1.512 57.706 56.100 0.156 0.000 0.967 232 R CB -0.493 29.940 30.300 0.222 0.000 0.861 232 R HN 0.410 nan 8.270 nan 0.000 0.442 233 G N -0.960 107.865 108.800 0.042 0.000 2.559 233 G HA2 -0.183 3.779 3.960 0.003 0.000 0.216 233 G HA3 -0.183 3.779 3.960 0.003 0.000 0.216 233 G C 0.818 175.613 174.900 -0.176 0.000 1.126 233 G CA 0.085 45.133 45.100 -0.087 0.000 0.778 233 G HN 0.285 nan 8.290 nan 0.000 0.543 234 F N 0.221 120.186 119.950 0.025 0.000 2.765 234 F HA 0.342 4.869 4.527 0.000 0.000 0.302 234 F C 1.923 177.731 175.800 0.014 0.000 1.111 234 F CA 0.237 58.248 58.000 0.017 0.000 1.359 234 F CB 0.732 39.742 39.000 0.017 0.000 1.097 234 F HN 0.230 nan 8.300 nan 0.000 0.577 235 G N 0.105 108.999 108.800 0.158 0.000 2.148 235 G HA2 -0.029 3.932 3.960 0.003 0.000 0.203 235 G HA3 -0.029 3.932 3.960 0.003 0.000 0.203 235 G C 0.236 175.189 174.900 0.088 0.000 0.993 235 G CA -0.173 44.988 45.100 0.102 0.000 0.661 235 G HN 0.580 nan 8.290 nan 0.000 0.518 236 A N -0.306 122.577 122.820 0.104 0.000 2.264 236 A HA 0.856 5.178 4.320 0.003 0.000 0.304 236 A C 0.576 178.196 177.584 0.061 0.000 1.100 236 A CA 0.110 52.188 52.037 0.068 0.000 0.839 236 A CB 0.620 19.657 19.000 0.062 0.000 1.121 236 A HN 0.913 nan 8.150 nan 0.000 0.496 237 R N 1.687 122.207 120.500 0.034 0.000 2.280 237 R HA 0.463 4.805 4.340 0.003 0.000 0.326 237 R C -1.433 174.888 176.300 0.034 0.000 1.080 237 R CA -0.264 55.858 56.100 0.037 0.000 1.002 237 R CB 0.099 30.406 30.300 0.012 0.000 1.136 237 R HN 0.438 nan 8.270 nan 0.000 0.509 238 V N 6.736 126.708 119.914 0.097 0.000 2.508 238 V HA 0.191 4.312 4.120 0.003 0.000 0.281 238 V C 0.500 176.626 176.094 0.053 0.000 1.041 238 V CA 0.038 62.374 62.300 0.061 0.000 1.016 238 V CB 0.950 32.820 31.823 0.079 0.000 0.984 238 V HN 0.676 nan 8.190 nan 0.000 0.478 239 I N 5.922 126.463 120.570 -0.049 0.000 2.406 239 I HA 0.464 4.636 4.170 0.003 0.000 0.290 239 I C -0.515 175.544 176.117 -0.097 0.000 0.999 239 I CA -0.539 60.729 61.300 -0.053 0.000 1.124 239 I CB 1.800 39.758 38.000 -0.069 0.000 1.289 239 I HN 0.340 nan 8.210 nan 0.000 0.441 240 I N 4.213 124.724 120.570 -0.098 0.000 2.577 240 I HA 0.458 4.629 4.170 0.003 0.000 0.305 240 I C 0.406 176.478 176.117 -0.074 0.000 0.986 240 I CA -0.351 60.881 61.300 -0.114 0.000 1.189 240 I CB 1.910 39.790 38.000 -0.200 0.000 1.355 240 I HN 0.582 nan 8.210 nan 0.000 0.476 241 T N 1.733 116.257 114.554 -0.050 0.000 2.900 241 T HA 0.727 5.079 4.350 0.003 0.000 0.295 241 T C -0.618 174.072 174.700 -0.016 0.000 1.044 241 T CA -0.578 61.500 62.100 -0.036 0.000 0.995 241 T CB 3.004 71.850 68.868 -0.037 0.000 1.072 241 T HN 0.605 nan 8.240 nan 0.000 0.473 242 E N 1.065 121.258 120.200 -0.013 0.000 2.401 242 E HA 0.319 4.671 4.350 0.003 0.000 0.280 242 E C 0.060 176.660 176.600 0.000 0.000 1.039 242 E CA -0.483 55.920 56.400 0.004 0.000 0.814 242 E CB 1.992 31.701 29.700 0.015 0.000 1.275 242 E HN 0.811 nan 8.360 nan 0.000 0.448 243 I N -2.474 118.100 120.570 0.007 0.000 4.139 243 I HA 0.345 4.516 4.170 0.003 0.000 0.320 243 I C 0.603 176.723 176.117 0.005 0.000 1.290 243 I CA -0.006 61.296 61.300 0.003 0.000 1.253 243 I CB 0.535 38.537 38.000 0.003 0.000 1.122 243 I HN 0.082 nan 8.210 nan 0.000 0.421 244 D N 3.209 123.616 120.400 0.012 0.000 2.274 244 D HA 0.241 4.882 4.640 0.003 0.000 0.239 244 D C -1.583 174.724 176.300 0.012 0.000 1.104 244 D CA -2.397 51.611 54.000 0.013 0.000 0.840 244 D CB 2.045 42.857 40.800 0.020 0.000 1.100 244 D HN -0.026 nan 8.370 nan 0.000 0.477 245 P HA -0.092 nan 4.420 nan 0.000 0.218 245 P C 1.760 179.064 177.300 0.006 0.000 1.149 245 P CA 0.770 63.870 63.100 0.001 0.000 0.817 245 P CB 0.592 32.290 31.700 -0.003 0.000 0.785 246 I N -0.280 120.298 120.570 0.013 0.000 2.286 246 I HA -0.207 3.965 4.170 0.003 0.000 0.245 246 I C 2.034 178.178 176.117 0.045 0.000 1.104 246 I CA 1.376 62.688 61.300 0.020 0.000 1.397 246 I CB -0.803 37.207 38.000 0.016 0.000 1.072 246 I HN -0.093 nan 8.210 nan 0.000 0.417 247 N N 1.168 119.908 118.700 0.066 0.000 2.142 247 N HA -0.110 4.631 4.740 0.003 0.000 0.186 247 N C 1.913 177.486 175.510 0.105 0.000 1.023 247 N CA 1.473 54.611 53.050 0.146 0.000 0.852 247 N CB -0.302 38.274 38.487 0.148 0.000 0.998 247 N HN 0.312 nan 8.380 nan 0.000 0.424 248 A N 0.775 123.609 122.820 0.023 0.000 1.902 248 A HA -0.102 4.220 4.320 0.003 0.000 0.217 248 A C 2.184 179.725 177.584 -0.071 0.000 1.181 248 A CA 1.125 53.133 52.037 -0.048 0.000 0.623 248 A CB -0.844 18.138 19.000 -0.030 0.000 0.818 248 A HN 0.347 nan 8.150 nan 0.000 0.443 249 L N -0.618 120.588 121.223 -0.028 0.000 2.056 249 L HA -0.222 4.120 4.340 0.003 0.000 0.207 249 L C 2.578 179.432 176.870 -0.026 0.000 1.078 249 L CA 2.000 56.824 54.840 -0.026 0.000 0.749 249 L CB -0.441 41.613 42.059 -0.008 0.000 0.901 249 L HN 0.468 nan 8.230 nan 0.000 0.433 250 Q N -0.230 119.578 119.800 0.013 0.000 2.152 250 Q HA -0.255 4.086 4.340 0.003 0.000 0.206 250 Q C 2.262 178.260 176.000 -0.004 0.000 0.985 250 Q CA 1.788 57.637 55.803 0.076 0.000 0.863 250 Q CB -0.350 28.525 28.738 0.229 0.000 0.904 250 Q HN 0.767 nan 8.270 nan 0.000 0.422 251 A N 0.822 123.459 122.820 -0.304 0.000 1.897 251 A HA -0.035 4.287 4.320 0.003 0.000 0.215 251 A C 2.285 179.788 177.584 -0.134 0.000 1.181 251 A CA 1.378 53.079 52.037 -0.560 0.000 0.620 251 A CB -0.656 17.745 19.000 -0.998 0.000 0.821 251 A HN 0.392 nan 8.150 nan 0.000 0.443 252 A N -0.768 121.982 122.820 -0.117 0.000 1.902 252 A HA -0.123 4.199 4.320 0.003 0.000 0.217 252 A C 2.058 179.603 177.584 -0.065 0.000 1.181 252 A CA 1.939 53.934 52.037 -0.070 0.000 0.623 252 A CB -0.497 18.469 19.000 -0.058 0.000 0.818 252 A HN 0.392 nan 8.150 nan 0.000 0.443 253 M N -0.712 118.858 119.600 -0.048 0.000 2.446 253 M HA -0.062 4.420 4.480 0.003 0.000 0.263 253 M C 1.215 177.483 176.300 -0.054 0.000 1.066 253 M CA 1.187 56.465 55.300 -0.038 0.000 1.087 253 M CB -1.046 31.547 32.600 -0.012 0.000 1.406 253 M HN 0.352 nan 8.290 nan 0.000 0.459 254 E N -0.822 119.334 120.200 -0.074 0.000 2.481 254 E HA 0.294 4.645 4.350 0.003 0.000 0.198 254 E C 1.175 177.556 176.600 -0.365 0.000 1.027 254 E CA 0.553 56.864 56.400 -0.147 0.000 0.900 254 E CB 0.024 29.712 29.700 -0.019 0.000 0.993 254 E HN 0.530 nan 8.360 nan 0.000 0.482 255 G N -0.258 108.375 108.800 -0.279 0.000 2.176 255 G HA2 -0.281 3.681 3.960 0.003 0.000 0.232 255 G HA3 -0.281 3.681 3.960 0.003 0.000 0.232 255 G C -0.293 174.427 174.900 -0.299 0.000 0.986 255 G CA -0.046 44.876 45.100 -0.297 0.000 0.643 255 G HN 0.186 nan 8.290 nan 0.000 0.522 256 Y N 1.352 121.594 120.300 -0.096 0.000 2.304 256 Y HA 0.530 5.077 4.550 -0.005 0.000 0.328 256 Y C 0.809 176.641 175.900 -0.114 0.000 1.123 256 Y CA -0.662 57.372 58.100 -0.110 0.000 1.218 256 Y CB 0.828 39.188 38.460 -0.167 0.000 1.207 256 Y HN 0.347 nan 8.280 nan 0.000 0.495 257 E N 1.969 122.217 120.200 0.080 0.000 2.354 257 E HA 0.469 4.821 4.350 0.003 0.000 0.269 257 E C -1.574 175.020 176.600 -0.009 0.000 1.036 257 E CA -0.460 55.948 56.400 0.013 0.000 0.876 257 E CB 0.751 30.453 29.700 0.003 0.000 1.009 257 E HN 0.436 nan 8.360 nan 0.000 0.416 258 V N 4.917 124.813 119.914 -0.031 0.000 2.407 258 V HA 0.389 4.511 4.120 0.003 0.000 0.291 258 V C -0.157 175.914 176.094 -0.037 0.000 1.018 258 V CA -0.468 61.803 62.300 -0.049 0.000 0.842 258 V CB 1.264 33.047 31.823 -0.066 0.000 0.996 258 V HN 0.937 nan 8.190 nan 0.000 0.426 259 T N 0.721 115.253 114.554 -0.037 0.000 2.669 259 T HA 0.613 4.964 4.350 0.003 0.000 0.283 259 T C -0.031 174.650 174.700 -0.032 0.000 1.019 259 T CA -0.708 61.375 62.100 -0.029 0.000 1.039 259 T CB 1.788 70.642 68.868 -0.024 0.000 1.374 259 T HN 0.645 nan 8.240 nan 0.000 0.523 260 T N -0.768 113.769 114.554 -0.028 0.000 2.928 260 T HA 0.419 4.770 4.350 0.003 0.000 0.284 260 T C 1.160 175.826 174.700 -0.057 0.000 1.008 260 T CA -0.799 61.281 62.100 -0.032 0.000 1.057 260 T CB 1.095 69.954 68.868 -0.016 0.000 1.018 260 T HN 0.487 nan 8.240 nan 0.000 0.493 261 M N 1.193 120.732 119.600 -0.102 0.000 2.202 261 M HA -0.075 4.407 4.480 0.003 0.000 0.262 261 M C 1.191 177.339 176.300 -0.254 0.000 1.063 261 M CA 1.608 56.771 55.300 -0.228 0.000 1.097 261 M CB -1.229 31.118 32.600 -0.421 0.000 1.382 261 M HN 0.693 nan 8.290 nan 0.000 0.413 262 D N 0.084 120.428 120.400 -0.092 0.000 2.221 262 D HA -0.156 4.485 4.640 0.003 0.000 0.204 262 D C 1.830 178.142 176.300 0.021 0.000 0.982 262 D CA 1.188 55.214 54.000 0.044 0.000 0.857 262 D CB -0.044 40.799 40.800 0.072 0.000 0.934 262 D HN 0.528 nan 8.370 nan 0.000 0.475 263 E N -0.320 119.877 120.200 -0.005 0.000 2.256 263 E HA 0.180 4.531 4.350 0.003 0.000 0.198 263 E C 2.095 178.704 176.600 0.016 0.000 0.908 263 E CA 0.444 56.850 56.400 0.009 0.000 0.915 263 E CB -0.282 29.420 29.700 0.003 0.000 0.890 263 E HN 0.137 nan 8.360 nan 0.000 0.484 264 A N 2.046 124.868 122.820 0.003 0.000 1.940 264 A HA -0.227 4.095 4.320 0.003 0.000 0.219 264 A C 2.592 180.254 177.584 0.130 0.000 1.176 264 A CA 1.828 53.880 52.037 0.025 0.000 0.631 264 A CB -1.326 17.672 19.000 -0.003 0.000 0.814 264 A HN 0.503 nan 8.150 nan 0.000 0.446 265 C N -0.183 119.196 119.300 0.132 0.000 2.403 265 C HA -0.101 4.361 4.460 0.003 0.000 0.282 265 C C 2.192 177.308 174.990 0.211 0.000 1.297 265 C CA 1.252 60.383 59.018 0.189 0.000 1.785 265 C CB -1.379 26.302 27.740 -0.098 0.000 1.963 265 C HN 0.603 nan 8.230 nan 0.000 0.507 266 K N 0.699 121.176 120.400 0.129 0.000 2.459 266 K HA 0.064 4.385 4.320 0.003 0.000 0.193 266 K C 1.860 178.529 176.600 0.115 0.000 1.030 266 K CA 0.888 57.243 56.287 0.114 0.000 1.026 266 K CB -0.048 32.496 32.500 0.074 0.000 0.809 266 K HN 0.675 nan 8.250 nan 0.000 0.504 267 E N 0.719 120.987 120.200 0.113 0.000 2.332 267 E HA 0.048 4.400 4.350 0.003 0.000 0.202 267 E C 0.776 177.389 176.600 0.020 0.000 0.877 267 E CA -0.185 56.248 56.400 0.055 0.000 0.979 267 E CB 0.534 30.241 29.700 0.013 0.000 0.969 267 E HN 0.263 nan 8.360 nan 0.000 0.495 268 G N 0.351 109.134 108.800 -0.029 0.000 2.594 268 G HA2 -0.039 3.923 3.960 0.003 0.000 0.243 268 G HA3 -0.039 3.923 3.960 0.003 0.000 0.243 268 G C 0.076 174.943 174.900 -0.054 0.000 1.229 268 G CA -0.135 44.793 45.100 -0.286 0.000 0.843 268 G HN 0.192 nan 8.290 nan 0.000 0.578 269 N N -1.003 117.622 118.700 -0.126 0.000 2.332 269 N HA 0.232 4.974 4.740 0.003 0.000 0.190 269 N C -0.009 175.518 175.510 0.029 0.000 1.117 269 N CA 0.023 53.078 53.050 0.009 0.000 0.883 269 N CB 0.655 39.133 38.487 -0.015 0.000 1.089 269 N HN 0.360 nan 8.380 nan 0.000 0.480 270 I N 0.374 120.870 120.570 -0.124 0.000 2.619 270 I HA 0.355 4.527 4.170 0.003 0.000 0.292 270 I C -1.589 174.386 176.117 -0.236 0.000 1.100 270 I CA -0.692 60.584 61.300 -0.039 0.000 1.043 270 I CB 2.067 40.035 38.000 -0.052 0.000 1.239 270 I HN -0.201 nan 8.210 nan 0.000 0.420 271 F N 4.753 124.709 119.950 0.010 0.000 2.518 271 F HA 0.612 5.138 4.527 -0.001 0.000 0.323 271 F C -0.354 175.446 175.800 0.001 0.000 1.129 271 F CA -0.795 57.201 58.000 -0.007 0.000 0.920 271 F CB 2.130 41.121 39.000 -0.013 0.000 1.160 271 F HN -0.054 nan 8.300 nan 0.000 0.440 272 V N 1.795 121.778 119.914 0.116 0.000 2.588 272 V HA 0.580 4.702 4.120 0.003 0.000 0.304 272 V C -0.427 175.705 176.094 0.064 0.000 1.042 272 V CA -0.918 61.427 62.300 0.075 0.000 0.877 272 V CB 2.168 34.005 31.823 0.024 0.000 0.996 272 V HN 0.793 nan 8.190 nan 0.000 0.425 273 T N -0.139 114.452 114.554 0.061 0.000 2.794 273 T HA 0.517 4.868 4.350 0.003 0.000 0.280 273 T C 0.270 174.989 174.700 0.030 0.000 0.987 273 T CA -0.431 61.697 62.100 0.047 0.000 0.993 273 T CB 1.648 70.550 68.868 0.056 0.000 0.939 273 T HN 0.572 nan 8.240 nan 0.000 0.449 274 T N 1.827 116.393 114.554 0.019 0.000 3.058 274 T HA 0.135 4.487 4.350 0.003 0.000 0.278 274 T C 1.960 176.668 174.700 0.013 0.000 0.974 274 T CA -0.045 62.058 62.100 0.006 0.000 0.893 274 T CB 0.090 68.948 68.868 -0.017 0.000 1.138 274 T HN 0.722 nan 8.240 nan 0.000 0.529 275 T N 1.291 115.860 114.554 0.024 0.000 2.544 275 T HA -0.038 4.313 4.350 0.003 0.000 0.264 275 T C 1.902 176.618 174.700 0.028 0.000 1.096 275 T CA 2.121 64.237 62.100 0.025 0.000 1.181 275 T CB -0.648 68.238 68.868 0.030 0.000 0.864 275 T HN 0.629 nan 8.240 nan 0.000 0.415 276 G N -0.063 108.770 108.800 0.055 0.000 2.157 276 G HA2 -0.223 3.739 3.960 0.003 0.000 0.239 276 G HA3 -0.223 3.739 3.960 0.003 0.000 0.239 276 G C 0.272 175.152 174.900 -0.033 0.000 0.982 276 G CA 0.131 45.253 45.100 0.036 0.000 0.650 276 G HN 0.972 nan 8.290 nan 0.000 0.527 277 C N 0.223 119.535 119.300 0.020 0.000 2.848 277 C HA 0.902 5.363 4.460 0.003 0.000 0.317 277 C C 1.181 176.204 174.990 0.055 0.000 1.260 277 C CA -0.124 58.901 59.018 0.012 0.000 1.656 277 C CB 1.284 29.028 27.740 0.006 0.000 2.174 277 C HN 1.517 nan 8.230 nan 0.000 0.479 278 V N 1.480 121.426 119.914 0.052 0.000 3.214 278 V HA 0.499 4.620 4.120 0.003 0.000 0.306 278 V C 0.073 176.193 176.094 0.044 0.000 1.078 278 V CA 0.266 62.606 62.300 0.066 0.000 1.077 278 V CB 0.609 32.470 31.823 0.063 0.000 1.121 278 V HN 1.014 nan 8.190 nan 0.000 0.468 279 D N 0.247 120.671 120.400 0.041 0.000 2.689 279 D HA -0.172 4.469 4.640 0.003 0.000 0.237 279 D C 0.698 177.009 176.300 0.019 0.000 1.148 279 D CA 0.873 54.885 54.000 0.019 0.000 0.656 279 D CB -0.653 40.152 40.800 0.009 0.000 1.050 279 D HN 0.531 nan 8.370 nan 0.000 0.426 280 I N -0.360 120.221 120.570 0.018 0.000 2.296 280 I HA 0.006 4.177 4.170 0.003 0.000 0.242 280 I C 1.532 177.637 176.117 -0.021 0.000 1.087 280 I CA 0.914 62.217 61.300 0.004 0.000 1.393 280 I CB -0.106 37.898 38.000 0.006 0.000 1.093 280 I HN 0.134 nan 8.210 nan 0.000 0.421 281 I N 2.668 123.198 120.570 -0.067 0.000 2.354 281 I HA 0.224 4.396 4.170 0.003 0.000 0.286 281 I C -0.697 175.239 176.117 -0.301 0.000 1.007 281 I CA -0.474 60.715 61.300 -0.184 0.000 1.167 281 I CB 1.546 39.307 38.000 -0.399 0.000 1.320 281 I HN -0.084 nan 8.210 nan 0.000 0.458 282 L N 4.212 125.261 121.223 -0.290 0.000 2.397 282 L HA 0.554 4.896 4.340 0.003 0.000 0.266 282 L C 1.697 178.027 176.870 -0.900 0.000 1.040 282 L CA -0.061 54.452 54.840 -0.544 0.000 0.800 282 L CB 0.654 42.404 42.059 -0.515 0.000 1.324 282 L HN 0.579 nan 8.230 nan 0.000 0.469 283 G N 0.087 108.277 108.800 -1.017 0.000 2.442 283 G HA2 -0.226 3.736 3.960 0.003 0.000 0.219 283 G HA3 -0.226 3.736 3.960 0.003 0.000 0.219 283 G C 1.369 175.655 174.900 -1.023 0.000 1.141 283 G CA 0.835 44.827 45.100 -1.846 0.000 0.763 283 G HN 0.714 nan 8.290 nan 0.000 0.554 284 R N -0.289 119.789 120.500 -0.704 0.000 2.237 284 R HA -0.003 4.339 4.340 0.003 0.000 0.219 284 R C 1.827 177.888 176.300 -0.399 0.000 1.080 284 R CA 1.568 57.396 56.100 -0.454 0.000 0.995 284 R CB -0.741 29.317 30.300 -0.403 0.000 0.875 284 R HN 0.541 nan 8.270 nan 0.000 0.462 285 H N -0.470 118.326 119.070 -0.458 0.000 2.355 285 H HA 0.069 4.628 4.556 0.004 0.000 0.303 285 H C 1.503 176.576 175.328 -0.425 0.000 1.061 285 H CA 1.045 56.820 56.048 -0.456 0.000 1.368 285 H CB -0.058 29.334 29.762 -0.617 0.000 1.412 285 H HN 0.045 nan 8.280 nan 0.000 0.523 286 F N 1.838 121.600 119.950 -0.313 0.000 2.120 286 F HA -0.196 4.334 4.527 0.005 0.000 0.300 286 F C 2.112 177.845 175.800 -0.112 0.000 1.095 286 F CA 1.400 59.239 58.000 -0.270 0.000 1.249 286 F CB -0.571 38.186 39.000 -0.404 0.000 0.995 286 F HN 0.229 nan 8.300 nan 0.000 0.480 287 E N -0.616 119.613 120.200 0.049 0.000 2.401 287 E HA -0.193 4.159 4.350 0.003 0.000 0.199 287 E C 1.855 178.499 176.600 0.072 0.000 1.023 287 E CA 0.805 57.266 56.400 0.101 0.000 0.859 287 E CB -0.189 29.558 29.700 0.078 0.000 0.780 287 E HN 0.575 nan 8.360 nan 0.000 0.523 288 Q N -0.602 119.231 119.800 0.054 0.000 2.378 288 Q HA 0.161 4.502 4.340 0.003 0.000 0.229 288 Q C 0.634 176.712 176.000 0.129 0.000 0.882 288 Q CA -0.026 55.821 55.803 0.074 0.000 0.936 288 Q CB 0.475 29.242 28.738 0.048 0.000 1.092 288 Q HN 0.312 nan 8.270 nan 0.000 0.535 289 M N 1.865 121.537 119.600 0.120 0.000 2.252 289 M HA -0.001 4.481 4.480 0.003 0.000 0.329 289 M C 0.458 176.903 176.300 0.242 0.000 1.101 289 M CA 0.817 56.212 55.300 0.158 0.000 1.117 289 M CB 0.323 32.968 32.600 0.076 0.000 1.563 289 M HN -0.151 nan 8.290 nan 0.000 0.445 290 K N 1.063 121.573 120.400 0.183 0.000 2.187 290 K HA 0.023 4.345 4.320 0.003 0.000 0.247 290 K C -0.438 176.074 176.600 -0.146 0.000 1.019 290 K CA -0.404 55.914 56.287 0.052 0.000 0.893 290 K CB 0.185 32.713 32.500 0.047 0.000 1.025 290 K HN 0.511 nan 8.250 nan 0.000 0.500 291 D N 1.423 121.493 120.400 -0.550 0.000 2.450 291 D HA -0.045 4.596 4.640 0.003 0.000 0.247 291 D C -0.282 175.928 176.300 -0.149 0.000 1.162 291 D CA 0.771 54.453 54.000 -0.530 0.000 0.879 291 D CB 0.164 40.627 40.800 -0.562 0.000 1.163 291 D HN 0.440 nan 8.370 nan 0.000 0.472 292 D N 1.307 121.680 120.400 -0.044 0.000 2.907 292 D HA -0.175 4.466 4.640 0.003 0.000 0.226 292 D C -0.636 175.699 176.300 0.059 0.000 1.141 292 D CA 0.918 54.930 54.000 0.020 0.000 0.779 292 D CB -1.217 39.585 40.800 0.003 0.000 1.095 292 D HN 0.512 nan 8.370 nan 0.000 0.430 293 A N 0.154 123.034 122.820 0.100 0.000 2.407 293 A HA 0.505 4.827 4.320 0.003 0.000 0.248 293 A C 0.739 178.435 177.584 0.188 0.000 1.082 293 A CA -0.016 52.129 52.037 0.180 0.000 0.785 293 A CB 0.503 19.672 19.000 0.282 0.000 1.020 293 A HN 0.317 nan 8.150 nan 0.000 0.489 294 I N 2.134 122.825 120.570 0.202 0.000 2.331 294 I HA 0.343 4.515 4.170 0.003 0.000 0.292 294 I C -0.706 175.563 176.117 0.253 0.000 0.998 294 I CA -0.434 60.971 61.300 0.175 0.000 1.267 294 I CB 1.611 39.678 38.000 0.110 0.000 1.386 294 I HN 0.280 nan 8.210 nan 0.000 0.476 295 V N 6.029 126.074 119.914 0.219 0.000 2.444 295 V HA 0.507 4.629 4.120 0.003 0.000 0.294 295 V C -0.172 176.027 176.094 0.175 0.000 1.022 295 V CA -0.546 61.894 62.300 0.234 0.000 0.850 295 V CB 1.351 33.312 31.823 0.231 0.000 0.992 295 V HN 1.002 nan 8.190 nan 0.000 0.426 296 C N 2.514 121.909 119.300 0.158 0.000 3.171 296 C HA 0.919 5.380 4.460 0.003 0.000 0.308 296 C C -0.777 174.274 174.990 0.101 0.000 1.334 296 C CA -0.887 58.200 59.018 0.116 0.000 1.473 296 C CB 1.556 29.350 27.740 0.089 0.000 1.866 296 C HN 0.839 nan 8.230 nan 0.000 0.465 297 N N -0.241 118.508 118.700 0.081 0.000 2.258 297 N HA 0.655 5.397 4.740 0.003 0.000 0.299 297 N C -0.758 174.766 175.510 0.023 0.000 1.047 297 N CA -0.724 52.363 53.050 0.063 0.000 0.814 297 N CB 1.746 40.281 38.487 0.080 0.000 1.413 297 N HN 0.941 nan 8.380 nan 0.000 0.478 298 I N 1.537 122.109 120.570 0.003 0.000 4.338 298 I HA 0.433 4.605 4.170 0.003 0.000 0.329 298 I C 0.920 177.004 176.117 -0.056 0.000 1.378 298 I CA -0.240 61.036 61.300 -0.040 0.000 1.170 298 I CB 0.118 38.107 38.000 -0.017 0.000 1.206 298 I HN 0.673 nan 8.210 nan 0.000 0.432 299 G N 0.008 108.798 108.800 -0.017 0.000 2.672 299 G HA2 -0.047 3.915 3.960 0.003 0.000 0.200 299 G HA3 -0.047 3.915 3.960 0.003 0.000 0.200 299 G C -0.381 174.537 174.900 0.030 0.000 1.819 299 G CA 0.047 45.154 45.100 0.011 0.000 0.902 299 G HN 0.344 nan 8.290 nan 0.000 0.512 300 H N -0.338 118.726 119.070 -0.009 0.000 2.580 300 H HA 0.387 4.945 4.556 0.002 0.000 0.322 300 H C -0.661 174.721 175.328 0.090 0.000 1.082 300 H CA -1.657 54.410 56.048 0.032 0.000 1.383 300 H CB 0.203 30.005 29.762 0.066 0.000 1.450 300 H HN -0.004 nan 8.280 nan 0.000 0.505 301 F N 4.806 124.528 119.950 -0.379 0.000 2.569 301 F HA -0.056 4.472 4.527 0.003 0.000 0.395 301 F C 1.138 176.789 175.800 -0.249 0.000 1.028 301 F CA 1.172 59.009 58.000 -0.271 0.000 1.158 301 F CB -0.292 38.564 39.000 -0.239 0.000 1.023 301 F HN 0.929 nan 8.300 nan 0.000 0.547 302 D N 1.598 122.126 120.400 0.214 0.000 3.027 302 D HA -0.270 4.372 4.640 0.003 0.000 0.224 302 D C 0.718 177.074 176.300 0.094 0.000 1.193 302 D CA 1.421 55.495 54.000 0.123 0.000 0.858 302 D CB -1.756 39.091 40.800 0.079 0.000 1.104 302 D HN 0.445 nan 8.370 nan 0.000 0.406 303 V N -3.693 116.287 119.914 0.109 0.000 3.660 303 V HA 0.190 4.312 4.120 0.003 0.000 0.276 303 V C 1.933 178.112 176.094 0.142 0.000 1.317 303 V CA 0.869 63.259 62.300 0.150 0.000 1.097 303 V CB -0.024 31.953 31.823 0.258 0.000 0.863 303 V HN 0.240 nan 8.190 nan 0.000 0.438 304 E N 1.252 121.531 120.200 0.133 0.000 2.170 304 E HA 0.212 4.564 4.350 0.003 0.000 0.191 304 E C 0.451 177.094 176.600 0.073 0.000 0.981 304 E CA 0.640 57.100 56.400 0.100 0.000 0.830 304 E CB 0.294 30.051 29.700 0.095 0.000 0.775 304 E HN 0.602 nan 8.360 nan 0.000 0.470 305 I N 1.706 122.331 120.570 0.092 0.000 2.498 305 I HA 0.091 4.262 4.170 0.003 0.000 0.301 305 I C 0.062 176.259 176.117 0.134 0.000 0.984 305 I CA -0.711 60.650 61.300 0.102 0.000 1.204 305 I CB 1.337 39.429 38.000 0.153 0.000 1.362 305 I HN -0.216 nan 8.210 nan 0.000 0.471 306 D N 4.923 125.424 120.400 0.169 0.000 2.517 306 D HA 0.153 4.794 4.640 0.003 0.000 0.220 306 D C 0.793 177.262 176.300 0.281 0.000 1.158 306 D CA -0.046 54.078 54.000 0.206 0.000 0.992 306 D CB 0.846 41.743 40.800 0.161 0.000 1.058 306 D HN 0.242 nan 8.370 nan 0.000 0.516 307 V N 3.462 123.476 119.914 0.168 0.000 2.379 307 V HA -0.143 3.979 4.120 0.003 0.000 0.245 307 V C 2.533 178.669 176.094 0.070 0.000 1.044 307 V CA 0.768 63.114 62.300 0.077 0.000 1.036 307 V CB -0.341 31.527 31.823 0.075 0.000 0.664 307 V HN 0.341 nan 8.190 nan 0.000 0.453 308 K N -0.309 120.156 120.400 0.109 0.000 2.059 308 K HA -0.276 4.045 4.320 0.003 0.000 0.212 308 K C 1.869 178.532 176.600 0.104 0.000 1.050 308 K CA 2.132 58.474 56.287 0.093 0.000 0.927 308 K CB -0.826 31.732 32.500 0.097 0.000 0.714 308 K HN 0.656 nan 8.250 nan 0.000 0.447 309 W N 1.071 122.358 121.300 -0.021 0.000 2.335 309 W HA -0.196 4.469 4.660 0.008 0.000 0.311 309 W C 1.930 178.368 176.519 -0.134 0.000 1.213 309 W CA 1.622 58.948 57.345 -0.031 0.000 1.274 309 W CB -0.331 29.158 29.460 0.049 0.000 1.148 309 W HN 0.066 nan 8.180 nan 0.000 0.498 310 L N 0.699 121.991 121.223 0.115 0.000 2.042 310 L HA -0.303 4.039 4.340 0.003 0.000 0.210 310 L C 2.333 179.027 176.870 -0.293 0.000 1.076 310 L CA 1.540 56.166 54.840 -0.357 0.000 0.749 310 L CB -0.899 40.533 42.059 -1.045 0.000 0.893 310 L HN 0.058 nan 8.230 nan 0.000 0.432 311 N N 0.022 118.663 118.700 -0.099 0.000 2.106 311 N HA -0.179 4.563 4.740 0.003 0.000 0.188 311 N C 1.614 177.089 175.510 -0.057 0.000 1.029 311 N CA 1.312 54.399 53.050 0.061 0.000 0.848 311 N CB -0.134 38.397 38.487 0.073 0.000 1.007 311 N HN 0.427 nan 8.380 nan 0.000 0.423 312 E N -0.050 120.060 120.200 -0.150 0.000 2.435 312 E HA 0.094 4.446 4.350 0.003 0.000 0.195 312 E C 0.556 176.944 176.600 -0.354 0.000 1.029 312 E CA 0.317 56.593 56.400 -0.205 0.000 0.865 312 E CB 0.107 29.703 29.700 -0.172 0.000 0.833 312 E HN 0.433 nan 8.360 nan 0.000 0.510 313 N N -0.002 118.359 118.700 -0.565 0.000 2.166 313 N HA 0.128 4.869 4.740 0.003 0.000 0.213 313 N C -0.007 175.232 175.510 -0.452 0.000 1.222 313 N CA -0.070 52.561 53.050 -0.698 0.000 0.900 313 N CB 1.112 38.691 38.487 -1.513 0.000 1.055 313 N HN -0.067 nan 8.380 nan 0.000 0.515 314 A N 0.837 123.491 122.820 -0.278 0.000 2.351 314 A HA 0.323 4.644 4.320 0.003 0.000 0.257 314 A C 1.402 178.956 177.584 -0.051 0.000 1.087 314 A CA -0.245 51.745 52.037 -0.079 0.000 0.798 314 A CB 0.786 19.871 19.000 0.143 0.000 1.033 314 A HN -0.052 nan 8.150 nan 0.000 0.488 315 V N 0.972 120.873 119.914 -0.020 0.000 2.788 315 V HA 0.031 4.152 4.120 0.003 0.000 0.251 315 V C 0.771 176.856 176.094 -0.015 0.000 1.068 315 V CA 1.652 63.939 62.300 -0.022 0.000 1.090 315 V CB -0.868 30.949 31.823 -0.009 0.000 0.710 315 V HN 0.885 nan 8.190 nan 0.000 0.467 316 E N -0.657 119.541 120.200 -0.003 0.000 2.433 316 E HA 0.588 4.939 4.350 0.003 0.000 0.278 316 E C -0.914 175.651 176.600 -0.059 0.000 0.976 316 E CA -0.831 55.552 56.400 -0.028 0.000 0.793 316 E CB 2.798 32.482 29.700 -0.026 0.000 1.311 316 E HN 0.116 nan 8.360 nan 0.000 0.460 317 K N 1.015 121.332 120.400 -0.139 0.000 2.588 317 K HA 0.435 4.756 4.320 0.003 0.000 0.250 317 K C -1.955 174.492 176.600 -0.254 0.000 0.972 317 K CA -0.664 55.425 56.287 -0.330 0.000 0.821 317 K CB 2.049 34.302 32.500 -0.412 0.000 1.249 317 K HN 0.341 nan 8.250 nan 0.000 0.442 318 V N 2.737 122.497 119.914 -0.256 0.000 2.577 318 V HA 0.483 4.604 4.120 0.003 0.000 0.303 318 V C -1.199 174.799 176.094 -0.159 0.000 1.042 318 V CA -0.769 61.434 62.300 -0.163 0.000 0.872 318 V CB 1.688 33.452 31.823 -0.100 0.000 0.998 318 V HN 0.932 nan 8.190 nan 0.000 0.423 319 N N 4.410 123.035 118.700 -0.125 0.000 2.405 319 N HA 0.154 4.895 4.740 0.003 0.000 0.260 319 N C 0.525 175.998 175.510 -0.062 0.000 1.152 319 N CA -0.126 52.868 53.050 -0.094 0.000 0.948 319 N CB 1.382 39.825 38.487 -0.074 0.000 1.111 319 N HN 0.784 nan 8.380 nan 0.000 0.485 320 I N 3.563 124.103 120.570 -0.050 0.000 2.406 320 I HA -0.063 4.109 4.170 0.003 0.000 0.249 320 I C 0.902 177.006 176.117 -0.022 0.000 1.122 320 I CA 1.264 62.545 61.300 -0.031 0.000 1.431 320 I CB -0.145 37.843 38.000 -0.020 0.000 1.087 320 I HN 0.692 nan 8.210 nan 0.000 0.424 321 K N -0.877 119.511 120.400 -0.019 0.000 2.711 321 K HA 0.311 4.633 4.320 0.003 0.000 0.294 321 K C -3.109 173.485 176.600 -0.011 0.000 1.037 321 K CA -1.442 54.838 56.287 -0.013 0.000 0.858 321 K CB 0.782 33.278 32.500 -0.006 0.000 1.521 321 K HN -0.399 nan 8.250 nan 0.000 0.386 322 P HA -0.038 nan 4.420 nan 0.000 0.260 322 P C -0.731 176.569 177.300 -0.000 0.000 1.172 322 P CA 0.771 63.867 63.100 -0.007 0.000 0.760 322 P CB 0.224 31.921 31.700 -0.005 0.000 0.773 323 Q N -0.884 118.916 119.800 0.000 0.000 2.465 323 Q HA -0.126 4.216 4.340 0.003 0.000 0.248 323 Q C -0.683 175.331 176.000 0.024 0.000 0.819 323 Q CA 0.794 56.606 55.803 0.015 0.000 1.219 323 Q CB -2.587 26.163 28.738 0.020 0.000 1.472 323 Q HN 0.348 nan 8.270 nan 0.000 0.630 324 V N 1.404 121.326 119.914 0.012 0.000 2.462 324 V HA 0.405 4.527 4.120 0.003 0.000 0.288 324 V C -0.336 175.754 176.094 -0.006 0.000 1.020 324 V CA -0.705 61.604 62.300 0.016 0.000 0.857 324 V CB 2.110 33.939 31.823 0.010 0.000 1.013 324 V HN 0.023 nan 8.190 nan 0.000 0.431 325 D N 3.395 123.797 120.400 0.004 0.000 2.342 325 D HA 0.518 5.159 4.640 0.003 0.000 0.243 325 D C -0.415 175.855 176.300 -0.049 0.000 1.019 325 D CA -0.621 53.329 54.000 -0.083 0.000 0.864 325 D CB 2.913 43.627 40.800 -0.143 0.000 1.315 325 D HN 0.358 nan 8.370 nan 0.000 0.468 326 R N 2.410 122.824 120.500 -0.144 0.000 2.412 326 R HA 0.239 4.581 4.340 0.003 0.000 0.304 326 R C -1.182 175.068 176.300 -0.085 0.000 1.066 326 R CA -0.545 55.536 56.100 -0.032 0.000 0.923 326 R CB 0.363 30.653 30.300 -0.015 0.000 1.156 326 R HN 0.317 nan 8.270 nan 0.000 0.513 327 Y N 2.700 122.984 120.300 -0.026 0.000 2.307 327 Y HA 0.274 4.826 4.550 0.003 0.000 0.324 327 Y C 0.182 176.076 175.900 -0.010 0.000 1.238 327 Y CA -0.730 57.349 58.100 -0.035 0.000 1.280 327 Y CB 0.900 39.317 38.460 -0.072 0.000 1.248 327 Y HN 0.364 nan 8.280 nan 0.000 0.508 328 L N 4.065 125.374 121.223 0.143 0.000 2.305 328 L HA 0.511 4.852 4.340 0.003 0.000 0.284 328 L C -1.217 175.711 176.870 0.098 0.000 1.013 328 L CA -0.792 54.109 54.840 0.102 0.000 0.819 328 L CB 0.451 42.543 42.059 0.055 0.000 1.227 328 L HN 0.551 nan 8.230 nan 0.000 0.417 329 L N 4.666 125.958 121.223 0.115 0.000 2.399 329 L HA 0.400 4.741 4.340 0.003 0.000 0.265 329 L C 1.341 178.249 176.870 0.064 0.000 1.089 329 L CA -0.702 54.199 54.840 0.101 0.000 0.802 329 L CB 1.005 43.167 42.059 0.171 0.000 1.180 329 L HN 0.663 nan 8.230 nan 0.000 0.454 330 K N 0.933 121.356 120.400 0.038 0.000 2.281 330 K HA -0.175 4.147 4.320 0.003 0.000 0.203 330 K C 1.417 178.028 176.600 0.018 0.000 1.046 330 K CA 1.464 57.762 56.287 0.018 0.000 0.938 330 K CB -0.168 32.334 32.500 0.004 0.000 0.737 330 K HN 0.612 nan 8.250 nan 0.000 0.458 331 N N -0.170 118.543 118.700 0.022 0.000 2.515 331 N HA -0.053 4.688 4.740 0.003 0.000 0.185 331 N C 1.044 176.519 175.510 -0.058 0.000 1.109 331 N CA 1.226 54.253 53.050 -0.037 0.000 0.903 331 N CB 0.300 38.737 38.487 -0.083 0.000 0.969 331 N HN 0.230 nan 8.380 nan 0.000 0.450 332 G N -1.401 107.412 108.800 0.022 0.000 2.194 332 G HA2 -0.247 3.714 3.960 0.003 0.000 0.236 332 G HA3 -0.247 3.714 3.960 0.003 0.000 0.236 332 G C -0.317 174.702 174.900 0.199 0.000 0.987 332 G CA 0.071 45.216 45.100 0.075 0.000 0.635 332 G HN 0.629 nan 8.290 nan 0.000 0.520 333 H N 0.182 119.292 119.070 0.066 0.000 2.482 333 H HA 0.635 5.190 4.556 -0.001 0.000 0.344 333 H C 0.325 175.702 175.328 0.081 0.000 1.151 333 H CA -0.735 55.358 56.048 0.074 0.000 1.300 333 H CB 0.835 30.648 29.762 0.086 0.000 1.494 333 H HN 0.110 nan 8.280 nan 0.000 0.542 334 R N 1.543 122.141 120.500 0.163 0.000 2.540 334 R HA 0.371 4.713 4.340 0.003 0.000 0.287 334 R C -0.822 175.551 176.300 0.121 0.000 0.980 334 R CA -0.579 55.595 56.100 0.123 0.000 0.966 334 R CB 0.977 31.323 30.300 0.077 0.000 1.106 334 R HN 0.441 nan 8.270 nan 0.000 0.480 335 I N 3.855 124.509 120.570 0.140 0.000 2.418 335 I HA 0.350 4.521 4.170 0.003 0.000 0.287 335 I C -0.203 176.011 176.117 0.162 0.000 1.008 335 I CA -0.630 60.748 61.300 0.129 0.000 1.104 335 I CB 1.442 39.467 38.000 0.041 0.000 1.264 335 I HN 0.542 nan 8.210 nan 0.000 0.438 336 I N 6.443 127.095 120.570 0.137 0.000 2.325 336 I HA 0.299 4.471 4.170 0.003 0.000 0.291 336 I C -0.094 176.112 176.117 0.150 0.000 1.019 336 I CA -0.254 61.124 61.300 0.131 0.000 1.302 336 I CB 1.373 39.428 38.000 0.091 0.000 1.401 336 I HN 0.304 nan 8.210 nan 0.000 0.485 337 L N 7.447 128.777 121.223 0.179 0.000 2.334 337 L HA 0.593 4.935 4.340 0.003 0.000 0.276 337 L C -0.909 176.041 176.870 0.133 0.000 1.014 337 L CA -0.794 54.149 54.840 0.171 0.000 0.815 337 L CB 1.763 43.967 42.059 0.242 0.000 1.268 337 L HN 0.509 nan 8.230 nan 0.000 0.428 338 L N 4.367 125.659 121.223 0.115 0.000 2.329 338 L HA 0.469 4.811 4.340 0.003 0.000 0.279 338 L C 0.920 177.842 176.870 0.087 0.000 1.014 338 L CA -0.559 54.334 54.840 0.088 0.000 0.814 338 L CB 1.652 43.756 42.059 0.075 0.000 1.257 338 L HN 0.895 nan 8.230 nan 0.000 0.424 339 A N 2.318 125.180 122.820 0.071 0.000 2.799 339 A HA -0.245 4.077 4.320 0.003 0.000 0.287 339 A C 0.874 178.507 177.584 0.081 0.000 1.484 339 A CA 1.326 53.405 52.037 0.071 0.000 0.813 339 A CB -1.907 17.145 19.000 0.085 0.000 1.009 339 A HN 0.998 nan 8.150 nan 0.000 0.545 340 E N -3.674 116.578 120.200 0.086 0.000 2.539 340 E HA -0.261 4.090 4.350 0.003 0.000 0.253 340 E C 1.305 177.965 176.600 0.099 0.000 1.145 340 E CA 1.234 57.690 56.400 0.093 0.000 0.738 340 E CB -2.022 27.713 29.700 0.057 0.000 1.308 340 E HN 2.507 nan 8.360 nan 0.000 0.409 341 G N -0.226 108.642 108.800 0.114 0.000 2.176 341 G HA2 -0.369 3.592 3.960 0.003 0.000 0.253 341 G HA3 -0.369 3.592 3.960 0.003 0.000 0.253 341 G C 0.408 175.398 174.900 0.149 0.000 0.979 341 G CA 0.587 45.761 45.100 0.123 0.000 0.641 341 G HN 0.298 nan 8.290 nan 0.000 0.530 342 R N -0.408 120.200 120.500 0.179 0.000 2.541 342 R HA 0.620 4.961 4.340 0.003 0.000 0.263 342 R C 0.997 177.443 176.300 0.243 0.000 1.112 342 R CA -0.845 55.469 56.100 0.356 0.000 1.170 342 R CB 0.375 30.889 30.300 0.356 0.000 1.167 342 R HN 0.206 nan 8.270 nan 0.000 0.582 343 L N 1.550 122.854 121.223 0.134 0.000 2.667 343 L HA -0.125 4.216 4.340 0.003 0.000 0.278 343 L C 1.646 178.514 176.870 -0.002 0.000 1.217 343 L CA 0.074 54.833 54.840 -0.136 0.000 0.935 343 L CB 0.220 41.969 42.059 -0.517 0.000 1.193 343 L HN 0.545 nan 8.230 nan 0.000 0.493 344 V N 4.745 124.657 119.914 -0.005 0.000 2.453 344 V HA -0.202 3.920 4.120 0.003 0.000 0.247 344 V C 2.224 178.317 176.094 -0.002 0.000 1.048 344 V CA 2.021 64.332 62.300 0.017 0.000 1.049 344 V CB -0.363 31.477 31.823 0.027 0.000 0.672 344 V HN 1.100 nan 8.190 nan 0.000 0.457 345 N N 0.654 119.334 118.700 -0.034 0.000 2.244 345 N HA -0.165 4.576 4.740 0.003 0.000 0.183 345 N C 1.645 177.122 175.510 -0.055 0.000 1.016 345 N CA 2.115 55.141 53.050 -0.040 0.000 0.866 345 N CB -0.630 37.822 38.487 -0.060 0.000 0.980 345 N HN 0.526 nan 8.380 nan 0.000 0.430 346 L N -0.515 120.663 121.223 -0.075 0.000 2.202 346 L HA 0.254 4.595 4.340 0.003 0.000 0.205 346 L C 2.562 179.445 176.870 0.022 0.000 1.083 346 L CA 0.934 55.748 54.840 -0.043 0.000 0.790 346 L CB -0.418 41.607 42.059 -0.057 0.000 0.942 346 L HN 0.269 nan 8.230 nan 0.000 0.452 347 G N -1.569 107.258 108.800 0.044 0.000 2.551 347 G HA2 -0.105 3.857 3.960 0.003 0.000 0.216 347 G HA3 -0.105 3.857 3.960 0.003 0.000 0.216 347 G C 1.174 176.096 174.900 0.036 0.000 1.137 347 G CA 0.555 45.690 45.100 0.058 0.000 0.798 347 G HN 0.414 nan 8.290 nan 0.000 0.536 348 C N -0.229 119.088 119.300 0.028 0.000 3.491 348 C HA 0.781 5.242 4.460 0.003 0.000 0.298 348 C C 1.183 176.185 174.990 0.021 0.000 1.424 348 C CA -0.073 58.959 59.018 0.024 0.000 1.772 348 C CB -0.577 27.178 27.740 0.025 0.000 2.447 348 C HN 0.575 nan 8.230 nan 0.000 0.670 349 A N -0.062 122.770 122.820 0.020 0.000 2.566 349 A HA 0.767 5.089 4.320 0.003 0.000 0.291 349 A C 0.136 177.734 177.584 0.023 0.000 1.278 349 A CA -0.179 51.872 52.037 0.023 0.000 0.711 349 A CB 0.348 19.363 19.000 0.024 0.000 1.332 349 A HN 0.005 nan 8.150 nan 0.000 0.478 350 M N 0.791 120.409 119.600 0.030 0.000 2.505 350 M HA 0.263 4.745 4.480 0.003 0.000 0.230 350 M C 1.044 177.351 176.300 0.013 0.000 1.153 350 M CA 1.046 56.365 55.300 0.033 0.000 0.997 350 M CB -1.190 31.442 32.600 0.052 0.000 1.606 350 M HN 1.528 nan 8.290 nan 0.000 0.481 351 G N 0.517 109.303 108.800 -0.022 0.000 2.584 351 G HA2 -0.198 3.764 3.960 0.003 0.000 0.229 351 G HA3 -0.198 3.764 3.960 0.003 0.000 0.229 351 G C -0.531 174.360 174.900 -0.015 0.000 1.320 351 G CA -0.641 44.395 45.100 -0.107 0.000 0.891 351 G HN 0.492 nan 8.290 nan 0.000 0.573 352 H N 1.545 120.626 119.070 0.019 0.000 2.732 352 H HA 0.455 5.012 4.556 0.002 0.000 0.351 352 H C -1.518 173.839 175.328 0.048 0.000 1.090 352 H CA -0.740 55.330 56.048 0.038 0.000 1.431 352 H CB 0.128 29.906 29.762 0.027 0.000 1.447 352 H HN 0.366 nan 8.280 nan 0.000 0.582 353 P HA 0.050 nan 4.420 nan 0.000 0.271 353 P C 0.782 178.165 177.300 0.138 0.000 1.233 353 P CA -0.164 63.028 63.100 0.154 0.000 0.789 353 P CB 0.762 32.553 31.700 0.153 0.000 0.951 354 S N 0.081 115.851 115.700 0.117 0.000 2.383 354 S HA -0.193 4.279 4.470 0.003 0.000 0.229 354 S C 1.546 176.186 174.600 0.065 0.000 1.030 354 S CA 1.142 59.389 58.200 0.079 0.000 1.002 354 S CB -1.017 62.234 63.200 0.085 0.000 0.829 354 S HN 0.490 nan 8.310 nan 0.000 0.467 355 F N 1.924 121.862 119.950 -0.020 0.000 2.126 355 F HA -0.185 4.343 4.527 0.002 0.000 0.299 355 F C 2.381 178.067 175.800 -0.191 0.000 1.096 355 F CA 1.475 59.439 58.000 -0.061 0.000 1.255 355 F CB -0.279 38.715 39.000 -0.011 0.000 0.997 355 F HN 0.129 nan 8.300 nan 0.000 0.479 356 V N -0.605 119.347 119.914 0.064 0.000 2.515 356 V HA -0.257 3.865 4.120 0.003 0.000 0.250 356 V C 2.110 178.052 176.094 -0.252 0.000 1.058 356 V CA 1.853 64.134 62.300 -0.031 0.000 1.064 356 V CB -0.440 31.445 31.823 0.103 0.000 0.675 356 V HN 0.367 nan 8.190 nan 0.000 0.461 357 M N 0.955 120.400 119.600 -0.258 0.000 2.159 357 M HA -0.051 4.430 4.480 0.003 0.000 0.263 357 M C 2.543 178.478 176.300 -0.608 0.000 1.063 357 M CA 2.132 57.094 55.300 -0.564 0.000 1.110 357 M CB -0.950 31.373 32.600 -0.463 0.000 1.374 357 M HN 0.581 nan 8.290 nan 0.000 0.411 358 S N -0.291 115.194 115.700 -0.359 0.000 2.383 358 S HA -0.169 4.302 4.470 0.003 0.000 0.229 358 S C 1.726 176.220 174.600 -0.176 0.000 1.030 358 S CA 2.019 60.092 58.200 -0.212 0.000 1.002 358 S CB -0.305 62.756 63.200 -0.231 0.000 0.829 358 S HN 0.598 nan 8.310 nan 0.000 0.467 359 N N 0.453 118.864 118.700 -0.482 0.000 2.135 359 N HA 0.044 4.786 4.740 0.003 0.000 0.186 359 N C 2.006 177.379 175.510 -0.227 0.000 1.027 359 N CA 1.454 54.181 53.050 -0.539 0.000 0.849 359 N CB -0.221 37.692 38.487 -0.957 0.000 1.002 359 N HN 0.273 nan 8.380 nan 0.000 0.425 360 S N 0.380 115.942 115.700 -0.231 0.000 2.353 360 S HA -0.100 4.371 4.470 0.003 0.000 0.222 360 S C 1.508 176.172 174.600 0.107 0.000 1.035 360 S CA 1.035 59.182 58.200 -0.087 0.000 1.025 360 S CB -0.456 62.639 63.200 -0.174 0.000 0.902 360 S HN 0.230 nan 8.310 nan 0.000 0.440 361 F N 2.137 122.090 119.950 0.004 0.000 2.134 361 F HA -0.050 4.478 4.527 0.003 0.000 0.299 361 F C 2.848 178.653 175.800 0.009 0.000 1.097 361 F CA 0.662 58.673 58.000 0.018 0.000 1.264 361 F CB -1.967 37.037 39.000 0.006 0.000 1.001 361 F HN 0.144 nan 8.300 nan 0.000 0.479 362 T N 0.095 114.758 114.554 0.181 0.000 2.849 362 T HA -0.193 4.158 4.350 0.003 0.000 0.270 362 T C 1.933 176.689 174.700 0.094 0.000 1.066 362 T CA 1.236 63.403 62.100 0.113 0.000 1.130 362 T CB -0.344 68.586 68.868 0.104 0.000 0.864 362 T HN 0.277 nan 8.240 nan 0.000 0.481 363 N N 0.583 119.339 118.700 0.093 0.000 2.142 363 N HA -0.089 4.652 4.740 0.003 0.000 0.186 363 N C 2.095 177.653 175.510 0.080 0.000 1.023 363 N CA 0.882 53.978 53.050 0.077 0.000 0.852 363 N CB -0.071 38.460 38.487 0.074 0.000 0.998 363 N HN 0.386 nan 8.380 nan 0.000 0.424 364 Q N 0.837 120.707 119.800 0.117 0.000 2.030 364 Q HA -0.088 4.253 4.340 0.003 0.000 0.204 364 Q C 2.351 178.383 176.000 0.054 0.000 0.986 364 Q CA 0.934 56.794 55.803 0.094 0.000 0.843 364 Q CB -0.712 28.104 28.738 0.130 0.000 0.904 364 Q HN 0.211 nan 8.270 nan 0.000 0.420 365 V N 1.161 121.108 119.914 0.054 0.000 2.332 365 V HA -0.291 3.830 4.120 0.003 0.000 0.248 365 V C 2.464 178.552 176.094 -0.010 0.000 1.055 365 V CA 1.561 63.870 62.300 0.014 0.000 1.038 365 V CB -0.562 31.271 31.823 0.016 0.000 0.651 365 V HN 0.345 nan 8.190 nan 0.000 0.450 366 M N -0.266 119.340 119.600 0.009 0.000 2.080 366 M HA -0.183 4.299 4.480 0.003 0.000 0.260 366 M C 2.424 178.723 176.300 -0.002 0.000 1.068 366 M CA 2.401 57.701 55.300 -0.001 0.000 1.109 366 M CB -1.391 31.227 32.600 0.030 0.000 1.342 366 M HN 0.435 nan 8.290 nan 0.000 0.405 367 A N -0.106 122.716 122.820 0.003 0.000 1.858 367 A HA -0.190 4.131 4.320 0.003 0.000 0.216 367 A C 2.085 179.661 177.584 -0.014 0.000 1.190 367 A CA 1.335 53.360 52.037 -0.021 0.000 0.617 367 A CB -0.651 18.336 19.000 -0.021 0.000 0.827 367 A HN 0.486 nan 8.150 nan 0.000 0.443 368 Q N -0.049 119.751 119.800 -0.001 0.000 2.045 368 Q HA -0.180 4.161 4.340 0.003 0.000 0.206 368 Q C 2.192 178.232 176.000 0.066 0.000 0.991 368 Q CA 1.741 57.553 55.803 0.014 0.000 0.851 368 Q CB -0.643 28.086 28.738 -0.015 0.000 0.911 368 Q HN 0.781 nan 8.270 nan 0.000 0.418 369 I N 0.720 121.305 120.570 0.025 0.000 2.264 369 I HA -0.251 3.920 4.170 0.003 0.000 0.248 369 I C 2.435 178.626 176.117 0.124 0.000 1.111 369 I CA 1.155 62.478 61.300 0.039 0.000 1.382 369 I CB -0.305 37.619 38.000 -0.127 0.000 1.060 369 I HN 0.256 nan 8.210 nan 0.000 0.418 370 E N 0.937 121.205 120.200 0.114 0.000 2.033 370 E HA -0.117 4.234 4.350 0.003 0.000 0.189 370 E C 2.423 179.187 176.600 0.273 0.000 0.979 370 E CA 0.938 57.470 56.400 0.220 0.000 0.802 370 E CB -0.052 29.695 29.700 0.079 0.000 0.763 370 E HN 0.433 nan 8.360 nan 0.000 0.449 371 L N 0.481 121.763 121.223 0.098 0.000 1.970 371 L HA -0.215 4.126 4.340 0.003 0.000 0.212 371 L C 2.644 179.625 176.870 0.185 0.000 1.071 371 L CA 1.620 56.507 54.840 0.078 0.000 0.751 371 L CB -0.722 41.331 42.059 -0.011 0.000 0.889 371 L HN 0.413 nan 8.230 nan 0.000 0.432 372 W N 0.788 122.089 121.300 0.001 0.000 2.338 372 W HA -0.245 4.417 4.660 0.002 0.000 0.304 372 W C 2.056 178.560 176.519 -0.026 0.000 1.212 372 W CA 1.985 59.318 57.345 -0.020 0.000 1.264 372 W CB -0.246 29.187 29.460 -0.045 0.000 1.142 372 W HN 0.114 nan 8.180 nan 0.000 0.512 373 T N -0.273 114.233 114.554 -0.081 0.000 3.035 373 T HA -0.128 4.224 4.350 0.003 0.000 0.268 373 T C -0.650 173.746 174.700 -0.507 0.000 1.109 373 T CA 1.003 62.900 62.100 -0.338 0.000 1.119 373 T CB -0.309 68.431 68.868 -0.214 0.000 0.900 373 T HN 0.100 nan 8.240 nan 0.000 0.503 374 H N 0.050 119.077 119.070 -0.071 0.000 2.530 374 H HA 0.290 4.848 4.556 0.003 0.000 0.246 374 H C -1.995 173.315 175.328 -0.031 0.000 1.346 374 H CA -1.962 54.064 56.048 -0.036 0.000 1.424 374 H CB 1.109 30.904 29.762 0.054 0.000 1.445 374 H HN 0.034 nan 8.280 nan 0.000 0.511 375 P HA -0.170 nan 4.420 nan 0.000 0.215 375 P C 0.387 177.685 177.300 -0.003 0.000 1.157 375 P CA 1.370 64.429 63.100 -0.068 0.000 0.874 375 P CB 0.432 32.038 31.700 -0.155 0.000 0.790 376 D N -1.596 118.798 120.400 -0.010 0.000 2.525 376 D HA 0.050 4.691 4.640 0.003 0.000 0.229 376 D C 1.328 177.609 176.300 -0.032 0.000 1.202 376 D CA 0.018 54.011 54.000 -0.011 0.000 0.828 376 D CB 0.349 41.132 40.800 -0.027 0.000 1.008 376 D HN 0.243 nan 8.370 nan 0.000 0.493 377 K N -0.012 120.373 120.400 -0.026 0.000 2.211 377 K HA -0.021 4.301 4.320 0.003 0.000 0.201 377 K C -0.196 176.137 176.600 -0.445 0.000 1.052 377 K CA 0.603 56.755 56.287 -0.224 0.000 0.973 377 K CB 0.380 32.722 32.500 -0.264 0.000 0.766 377 K HN -0.043 nan 8.250 nan 0.000 0.466 378 Y N 2.197 122.422 120.300 -0.126 0.000 2.334 378 Y HA 0.336 4.888 4.550 0.003 0.000 0.336 378 Y C -2.204 173.662 175.900 -0.056 0.000 0.960 378 Y CA -3.030 54.926 58.100 -0.239 0.000 1.164 378 Y CB 1.141 39.357 38.460 -0.406 0.000 1.155 378 Y HN 0.098 nan 8.280 nan 0.000 0.478 379 P HA 0.087 nan 4.420 nan 0.000 0.274 379 P C -0.498 176.976 177.300 0.289 0.000 1.237 379 P CA -0.363 62.850 63.100 0.189 0.000 0.793 379 P CB 1.182 32.977 31.700 0.158 0.000 0.977 380 V N 0.933 120.947 119.914 0.168 0.000 2.583 380 V HA 0.372 4.493 4.120 0.003 0.000 0.302 380 V C 1.196 177.349 176.094 0.099 0.000 1.033 380 V CA 1.228 63.607 62.300 0.132 0.000 1.194 380 V CB -1.185 30.685 31.823 0.079 0.000 0.879 380 V HN 1.089 nan 8.190 nan 0.000 0.482 381 G N 2.881 111.711 108.800 0.049 0.000 2.358 381 G HA2 0.355 4.317 3.960 0.003 0.000 0.301 381 G HA3 0.355 4.317 3.960 0.003 0.000 0.301 381 G C -1.217 173.479 174.900 -0.340 0.000 1.539 381 G CA -0.230 44.766 45.100 -0.174 0.000 0.893 381 G HN 1.242 nan 8.290 nan 0.000 0.636 382 V N 2.434 122.098 119.914 -0.417 0.000 2.372 382 V HA 0.571 4.692 4.120 0.003 0.000 0.261 382 V C 0.084 175.870 176.094 -0.513 0.000 1.055 382 V CA -0.449 61.568 62.300 -0.472 0.000 0.930 382 V CB -0.503 30.847 31.823 -0.790 0.000 1.031 382 V HN 0.746 nan 8.190 nan 0.000 0.479 383 H N 5.275 124.235 119.070 -0.184 0.000 2.544 383 H HA 0.445 5.003 4.556 0.003 0.000 0.342 383 H C -0.921 174.322 175.328 -0.143 0.000 1.185 383 H CA -0.398 55.594 56.048 -0.093 0.000 1.264 383 H CB 1.552 31.374 29.762 0.099 0.000 1.607 383 H HN 0.588 nan 8.280 nan 0.000 0.550 384 F N 0.660 120.738 119.950 0.213 0.000 2.379 384 F HA 0.103 4.631 4.527 0.002 0.000 0.332 384 F C 0.372 176.240 175.800 0.113 0.000 1.096 384 F CA -0.840 57.244 58.000 0.140 0.000 1.105 384 F CB 0.741 39.827 39.000 0.143 0.000 1.189 384 F HN 0.242 nan 8.300 nan 0.000 0.515 385 L N 6.614 128.014 121.223 0.294 0.000 2.477 385 L HA 0.288 4.630 4.340 0.003 0.000 0.272 385 L C -2.094 174.871 176.870 0.158 0.000 1.157 385 L CA -1.597 53.338 54.840 0.159 0.000 0.889 385 L CB -0.453 41.672 42.059 0.111 0.000 1.158 385 L HN 0.288 nan 8.230 nan 0.000 0.473 386 P HA -0.107 nan 4.420 nan 0.000 0.261 386 P C 0.150 177.494 177.300 0.073 0.000 1.165 386 P CA 0.172 63.338 63.100 0.109 0.000 0.759 386 P CB 0.462 32.211 31.700 0.082 0.000 0.772 387 K N 4.816 125.252 120.400 0.061 0.000 2.089 387 K HA -0.238 4.084 4.320 0.003 0.000 0.210 387 K C 1.865 178.479 176.600 0.023 0.000 1.048 387 K CA 2.092 58.408 56.287 0.049 0.000 0.926 387 K CB -0.311 32.215 32.500 0.045 0.000 0.714 387 K HN 0.246 nan 8.250 nan 0.000 0.448 388 K N 0.031 120.426 120.400 -0.008 0.000 2.209 388 K HA -0.055 4.266 4.320 0.003 0.000 0.204 388 K C 1.775 178.383 176.600 0.014 0.000 1.048 388 K CA 1.164 57.432 56.287 -0.032 0.000 0.940 388 K CB 0.021 32.487 32.500 -0.057 0.000 0.729 388 K HN 0.210 nan 8.250 nan 0.000 0.451 389 L N 0.101 121.343 121.223 0.033 0.000 2.162 389 L HA -0.104 4.238 4.340 0.003 0.000 0.205 389 L C 2.139 179.040 176.870 0.052 0.000 1.086 389 L CA 0.867 55.736 54.840 0.048 0.000 0.778 389 L CB -0.480 41.608 42.059 0.048 0.000 0.928 389 L HN 0.253 nan 8.230 nan 0.000 0.446 390 D N 0.702 121.129 120.400 0.046 0.000 2.117 390 D HA -0.206 4.436 4.640 0.003 0.000 0.197 390 D C 2.002 178.321 176.300 0.032 0.000 0.987 390 D CA 1.361 55.382 54.000 0.035 0.000 0.829 390 D CB 0.183 40.998 40.800 0.026 0.000 0.961 390 D HN 0.273 nan 8.370 nan 0.000 0.460 391 E N -0.202 120.025 120.200 0.046 0.000 2.110 391 E HA -0.135 4.217 4.350 0.003 0.000 0.193 391 E C 2.055 178.710 176.600 0.093 0.000 0.988 391 E CA 0.916 57.363 56.400 0.078 0.000 0.804 391 E CB -0.075 29.682 29.700 0.096 0.000 0.745 391 E HN 0.308 nan 8.360 nan 0.000 0.458 392 A N 0.985 123.854 122.820 0.081 0.000 1.898 392 A HA -0.146 4.176 4.320 0.003 0.000 0.216 392 A C 2.454 180.102 177.584 0.106 0.000 1.181 392 A CA 1.458 53.552 52.037 0.096 0.000 0.620 392 A CB -0.828 18.229 19.000 0.096 0.000 0.819 392 A HN 0.264 nan 8.150 nan 0.000 0.442 393 V N -0.940 119.030 119.914 0.093 0.000 2.626 393 V HA -0.052 4.070 4.120 0.003 0.000 0.252 393 V C 2.416 178.605 176.094 0.157 0.000 1.067 393 V CA 2.156 64.525 62.300 0.114 0.000 1.081 393 V CB -0.875 30.988 31.823 0.066 0.000 0.686 393 V HN 0.557 nan 8.190 nan 0.000 0.468 394 A N 0.112 122.988 122.820 0.094 0.000 1.898 394 A HA -0.226 4.096 4.320 0.003 0.000 0.216 394 A C 2.254 179.936 177.584 0.162 0.000 1.181 394 A CA 1.867 53.960 52.037 0.093 0.000 0.620 394 A CB -0.718 18.327 19.000 0.075 0.000 0.819 394 A HN 0.740 nan 8.150 nan 0.000 0.442 395 E N -0.148 120.137 120.200 0.142 0.000 2.204 395 E HA -0.051 4.300 4.350 0.003 0.000 0.194 395 E C 1.892 178.555 176.600 0.105 0.000 0.989 395 E CA 0.823 57.298 56.400 0.124 0.000 0.824 395 E CB -0.227 29.540 29.700 0.112 0.000 0.756 395 E HN 0.546 nan 8.360 nan 0.000 0.477 396 A N -0.210 122.673 122.820 0.105 0.000 2.067 396 A HA -0.152 4.170 4.320 0.003 0.000 0.219 396 A C 1.278 178.768 177.584 -0.157 0.000 1.158 396 A CA 1.477 53.498 52.037 -0.028 0.000 0.661 396 A CB -0.543 18.411 19.000 -0.078 0.000 0.801 396 A HN 0.338 nan 8.150 nan 0.000 0.452 397 H N -1.726 117.329 119.070 -0.024 0.000 2.582 397 H HA 0.290 4.848 4.556 0.003 0.000 0.269 397 H C -0.081 175.322 175.328 0.126 0.000 0.962 397 H CA -0.285 55.776 56.048 0.021 0.000 1.230 397 H CB -0.011 29.701 29.762 -0.084 0.000 1.445 397 H HN 0.281 nan 8.280 nan 0.000 0.528 398 L N 0.528 121.869 121.223 0.196 0.000 2.490 398 L HA 0.232 4.573 4.340 0.003 0.000 0.274 398 L C 1.554 178.481 176.870 0.094 0.000 1.201 398 L CA 1.530 56.453 54.840 0.138 0.000 0.869 398 L CB 0.321 42.443 42.059 0.104 0.000 1.123 398 L HN 0.626 nan 8.230 nan 0.000 0.484 399 G N 2.274 111.119 108.800 0.076 0.000 2.953 399 G HA2 -0.241 3.721 3.960 0.003 0.000 0.201 399 G HA3 -0.241 3.721 3.960 0.003 0.000 0.201 399 G C 1.248 176.178 174.900 0.049 0.000 1.501 399 G CA 0.214 45.342 45.100 0.048 0.000 1.094 399 G HN 0.532 nan 8.290 nan 0.000 0.555 400 K N 0.836 121.283 120.400 0.078 0.000 2.097 400 K HA 0.207 4.528 4.320 0.003 0.000 0.205 400 K C 2.531 179.165 176.600 0.055 0.000 1.050 400 K CA 1.461 57.797 56.287 0.082 0.000 0.938 400 K CB -0.231 32.368 32.500 0.166 0.000 0.718 400 K HN 0.487 nan 8.250 nan 0.000 0.442 401 L N 0.772 122.044 121.223 0.083 0.000 2.465 401 L HA -0.064 4.277 4.340 0.003 0.000 0.224 401 L C 0.320 177.198 176.870 0.014 0.000 1.145 401 L CA 0.163 55.017 54.840 0.023 0.000 0.834 401 L CB -0.398 41.702 42.059 0.068 0.000 0.944 401 L HN 0.297 nan 8.230 nan 0.000 0.451 402 N N -0.077 118.640 118.700 0.028 0.000 2.756 402 N HA -0.155 4.587 4.740 0.003 0.000 0.248 402 N C -0.790 174.731 175.510 0.017 0.000 1.062 402 N CA 0.264 53.324 53.050 0.017 0.000 0.696 402 N CB -1.152 37.337 38.487 0.003 0.000 0.946 402 N HN -0.033 nan 8.380 nan 0.000 0.548 403 V N 1.073 121.006 119.914 0.031 0.000 2.439 403 V HA 0.240 4.362 4.120 0.003 0.000 0.282 403 V C 0.771 176.881 176.094 0.025 0.000 1.039 403 V CA -0.466 61.852 62.300 0.029 0.000 0.913 403 V CB 1.743 33.593 31.823 0.046 0.000 0.983 403 V HN 0.008 nan 8.190 nan 0.000 0.460 404 K N 4.828 125.237 120.400 0.015 0.000 2.300 404 K HA 0.339 4.660 4.320 0.003 0.000 0.264 404 K C -0.750 175.854 176.600 0.006 0.000 1.083 404 K CA -0.734 55.559 56.287 0.011 0.000 0.958 404 K CB 1.172 33.675 32.500 0.005 0.000 1.318 404 K HN 0.388 nan 8.250 nan 0.000 0.448 405 L N 3.118 124.347 121.223 0.010 0.000 2.410 405 L HA 0.066 4.407 4.340 0.003 0.000 0.273 405 L C 0.665 177.526 176.870 -0.015 0.000 1.152 405 L CA 0.518 55.357 54.840 -0.002 0.000 0.855 405 L CB 0.932 42.998 42.059 0.012 0.000 1.129 405 L HN 0.568 nan 8.230 nan 0.000 0.463 406 T N 2.707 117.239 114.554 -0.037 0.000 2.913 406 T HA 0.367 4.718 4.350 0.003 0.000 0.287 406 T C -0.005 174.662 174.700 -0.054 0.000 1.008 406 T CA -0.795 61.282 62.100 -0.038 0.000 1.067 406 T CB 0.786 69.629 68.868 -0.042 0.000 0.996 406 T HN 0.508 nan 8.240 nan 0.000 0.513 407 K N 2.305 122.687 120.400 -0.030 0.000 2.206 407 K HA 0.372 4.693 4.320 0.003 0.000 0.264 407 K C -0.603 175.987 176.600 -0.017 0.000 0.967 407 K CA -0.884 55.392 56.287 -0.017 0.000 0.844 407 K CB 1.519 34.028 32.500 0.015 0.000 1.099 407 K HN 0.496 nan 8.250 nan 0.000 0.441 408 L N 3.067 124.280 121.223 -0.016 0.000 2.490 408 L HA 0.019 4.360 4.340 0.003 0.000 0.274 408 L C 0.880 177.767 176.870 0.029 0.000 1.201 408 L CA 0.680 55.522 54.840 0.004 0.000 0.869 408 L CB 0.431 42.511 42.059 0.035 0.000 1.123 408 L HN 0.709 nan 8.230 nan 0.000 0.484 409 T N 0.239 114.806 114.554 0.022 0.000 2.788 409 T HA 0.143 4.494 4.350 0.003 0.000 0.287 409 T C 1.005 175.728 174.700 0.039 0.000 1.007 409 T CA -0.298 61.817 62.100 0.024 0.000 1.005 409 T CB 0.742 69.617 68.868 0.012 0.000 1.012 409 T HN 0.577 nan 8.240 nan 0.000 0.530 410 E N 0.573 120.795 120.200 0.036 0.000 2.110 410 E HA -0.148 4.204 4.350 0.003 0.000 0.193 410 E C 2.017 178.647 176.600 0.049 0.000 0.988 410 E CA 1.573 57.998 56.400 0.043 0.000 0.804 410 E CB -0.279 29.441 29.700 0.033 0.000 0.745 410 E HN 0.763 nan 8.360 nan 0.000 0.458 411 K N -0.112 120.312 120.400 0.040 0.000 2.002 411 K HA -0.202 4.119 4.320 0.003 0.000 0.209 411 K C 2.305 178.952 176.600 0.077 0.000 1.048 411 K CA 1.797 58.111 56.287 0.045 0.000 0.930 411 K CB -0.112 32.397 32.500 0.016 0.000 0.714 411 K HN 0.200 nan 8.250 nan 0.000 0.438 412 Q N -0.247 119.590 119.800 0.062 0.000 2.124 412 Q HA -0.152 4.190 4.340 0.003 0.000 0.202 412 Q C 2.106 178.194 176.000 0.147 0.000 0.977 412 Q CA 1.496 57.359 55.803 0.100 0.000 0.850 412 Q CB -0.173 28.595 28.738 0.050 0.000 0.901 412 Q HN 0.417 nan 8.270 nan 0.000 0.429 413 A N 1.102 123.985 122.820 0.106 0.000 1.902 413 A HA -0.228 4.093 4.320 0.003 0.000 0.217 413 A C 2.059 179.701 177.584 0.097 0.000 1.181 413 A CA 1.295 53.396 52.037 0.106 0.000 0.623 413 A CB -0.384 18.674 19.000 0.096 0.000 0.818 413 A HN 0.295 nan 8.150 nan 0.000 0.443 414 Q N -1.891 117.967 119.800 0.097 0.000 2.079 414 Q HA -0.191 4.151 4.340 0.003 0.000 0.200 414 Q C 2.019 178.079 176.000 0.101 0.000 0.974 414 Q CA 1.690 57.542 55.803 0.082 0.000 0.840 414 Q CB -0.425 28.359 28.738 0.077 0.000 0.898 414 Q HN 0.838 nan 8.270 nan 0.000 0.430 415 Y N 1.559 121.868 120.300 0.015 0.000 2.114 415 Y HA -0.186 4.365 4.550 0.002 0.000 0.284 415 Y C 1.967 177.875 175.900 0.014 0.000 1.143 415 Y CA 1.379 59.486 58.100 0.012 0.000 1.135 415 Y CB -0.370 38.095 38.460 0.008 0.000 0.980 415 Y HN -0.011 nan 8.280 nan 0.000 0.499 416 L N 0.003 121.247 121.223 0.035 0.000 2.551 416 L HA 0.040 4.382 4.340 0.003 0.000 0.228 416 L C 1.446 178.284 176.870 -0.053 0.000 1.153 416 L CA 0.752 55.564 54.840 -0.045 0.000 0.851 416 L CB -1.080 41.020 42.059 0.068 0.000 0.959 416 L HN 0.553 nan 8.230 nan 0.000 0.451 417 G N 1.708 110.491 108.800 -0.029 0.000 2.350 417 G HA2 -0.301 3.660 3.960 0.003 0.000 0.298 417 G HA3 -0.301 3.660 3.960 0.003 0.000 0.298 417 G C -0.047 174.854 174.900 0.002 0.000 1.037 417 G CA 0.802 45.890 45.100 -0.020 0.000 1.074 417 G HN 0.437 nan 8.290 nan 0.000 0.511 418 M N -1.702 117.919 119.600 0.035 0.000 2.569 418 M HA 0.749 5.231 4.480 0.003 0.000 0.279 418 M C -3.065 173.275 176.300 0.067 0.000 1.253 418 M CA -2.347 52.981 55.300 0.046 0.000 0.867 418 M CB 1.940 34.590 32.600 0.084 0.000 1.727 418 M HN -0.090 nan 8.290 nan 0.000 0.467 419 P HA 0.297 nan 4.420 nan 0.000 0.275 419 P C 0.618 177.992 177.300 0.124 0.000 1.228 419 P CA -0.371 62.750 63.100 0.034 0.000 0.786 419 P CB 0.610 32.288 31.700 -0.038 0.000 0.927 420 I N 0.811 121.460 120.570 0.132 0.000 2.335 420 I HA -0.237 3.934 4.170 0.003 0.000 0.251 420 I C 1.046 177.348 176.117 0.308 0.000 1.129 420 I CA 1.547 62.970 61.300 0.205 0.000 1.402 420 I CB -0.438 37.635 38.000 0.122 0.000 1.069 420 I HN 0.414 nan 8.210 nan 0.000 0.424 421 N N 0.083 118.863 118.700 0.134 0.000 2.360 421 N HA 0.090 4.831 4.740 0.003 0.000 0.211 421 N C 1.091 176.425 175.510 -0.294 0.000 1.147 421 N CA 0.302 53.389 53.050 0.061 0.000 0.866 421 N CB 0.019 38.537 38.487 0.051 0.000 1.206 421 N HN 0.183 nan 8.380 nan 0.000 0.478 422 G N 2.980 111.624 108.800 -0.261 0.000 2.771 422 G HA2 0.091 4.052 3.960 0.003 0.000 0.242 422 G HA3 0.091 4.052 3.960 0.003 0.000 0.242 422 G C -2.339 172.161 174.900 -0.666 0.000 1.233 422 G CA -0.388 44.520 45.100 -0.320 0.000 0.858 422 G HN -0.000 nan 8.290 nan 0.000 0.591 423 P HA -0.004 nan 4.420 nan 0.000 0.265 423 P C -0.301 176.707 177.300 -0.485 0.000 1.187 423 P CA 0.294 63.121 63.100 -0.453 0.000 0.766 423 P CB 0.321 31.911 31.700 -0.182 0.000 0.820 424 F N 1.004 120.943 119.950 -0.018 0.000 2.695 424 F HA 0.243 4.771 4.527 0.002 0.000 0.303 424 F C 1.265 176.974 175.800 -0.152 0.000 1.091 424 F CA 0.498 58.462 58.000 -0.060 0.000 1.300 424 F CB 0.107 39.084 39.000 -0.039 0.000 1.071 424 F HN 0.062 nan 8.300 nan 0.000 0.578 425 K N 0.048 120.421 120.400 -0.044 0.000 2.536 425 K HA 0.453 4.774 4.320 0.003 0.000 0.269 425 K C -2.989 173.508 176.600 -0.171 0.000 0.965 425 K CA -1.765 54.378 56.287 -0.240 0.000 0.860 425 K CB 1.804 34.004 32.500 -0.499 0.000 1.423 425 K HN -0.287 nan 8.250 nan 0.000 0.438 426 P HA 0.180 nan 4.420 nan 0.000 0.276 426 P C -0.000 177.170 177.300 -0.217 0.000 1.244 426 P CA -0.295 62.656 63.100 -0.249 0.000 0.801 426 P CB 0.561 31.979 31.700 -0.470 0.000 1.006 427 D N -0.279 120.056 120.400 -0.109 0.000 2.149 427 D HA -0.185 4.456 4.640 0.003 0.000 0.198 427 D C 1.589 177.863 176.300 -0.044 0.000 0.990 427 D CA 1.485 55.461 54.000 -0.039 0.000 0.839 427 D CB -0.618 40.190 40.800 0.013 0.000 0.948 427 D HN 0.645 nan 8.370 nan 0.000 0.460 428 H N -1.102 117.985 119.070 0.028 0.000 2.561 428 H HA -0.101 4.456 4.556 0.002 0.000 0.278 428 H C 0.243 175.571 175.328 0.001 0.000 1.014 428 H CA -0.079 55.973 56.048 0.006 0.000 1.211 428 H CB -0.772 28.993 29.762 0.006 0.000 1.365 428 H HN 0.126 nan 8.280 nan 0.000 0.594 429 Y N 3.105 123.174 120.300 -0.385 0.000 2.526 429 Y HA 0.110 4.662 4.550 0.004 0.000 0.330 429 Y C 0.028 175.762 175.900 -0.277 0.000 1.156 429 Y CA -0.282 57.603 58.100 -0.358 0.000 1.419 429 Y CB 0.430 38.566 38.460 -0.540 0.000 1.250 429 Y HN 0.127 nan 8.280 nan 0.000 0.540 430 R N 6.224 126.288 120.500 -0.726 0.000 2.320 430 R HA 0.254 4.596 4.340 0.003 0.000 0.319 430 R C -1.112 174.813 176.300 -0.624 0.000 0.969 430 R CA -0.742 55.116 56.100 -0.403 0.000 0.857 430 R CB 0.588 30.755 30.300 -0.222 0.000 1.160 430 R HN 0.532 nan 8.270 nan 0.000 0.491 431 Y N 0.000 120.122 120.300 -0.296 0.000 2.660 431 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 431 Y CA 0.000 58.029 58.100 -0.119 0.000 1.940 431 Y CB 0.000 38.533 38.460 0.121 0.000 1.050 431 Y HN 0.000 nan 8.280 nan 0.000 0.758