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 2r98_1_A DATA FIRST_RESID 5 DATA SEQUENCE DSFVAHFREA APYIRQXRGT TLVAGIDGRL LEGGTLNKLA ADIGLLSQLG DATA SEQUENCE IRLVLIHGAY HFLDRLAAAQ GRTPHYCRGL RVTDETSLGQ AQQFAGTVRS DATA SEQUENCE RFEAALCGSX XXXXXXXSVP LVSGNFLTAR PIGVIDGTDX EYAGVIRKTD DATA SEQUENCE TAALRFQLDA GNIVWXPPLG HSYGGKTFNL DXVQAAASVA VSLQAEKLVY DATA SEQUENCE LTLSDGISRP DGTLAETLSA QEAQSLAEHA ASETRRLISS AVAALEGGVH DATA SEQUENCE RVQILNGAAD GSLLQELFTR NGIGTSIAKE AFVSIRQAHS GDIPHIAALI DATA SEQUENCE RPLEEQGILL HRSREYLENH ISEFSILEHD GNLYGCAALK TFAEADCGEI DATA SEQUENCE ACLAVSPQAQ DGGYGERLLA HIIDKARGIG ISRLFALSTN TGEWFAERGF DATA SEQUENCE QTASEDELPE TRRKDYRSNG RNSHILVRRL HR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.161 176.300 -0.232 0.000 2.045 5 D CA 0.000 53.886 54.000 -0.190 0.000 0.868 5 D CB 0.000 40.580 40.800 -0.367 0.000 0.688 6 S N -0.097 115.476 115.700 -0.212 0.000 2.585 6 S HA 0.151 4.621 4.470 0.001 0.000 0.273 6 S C 1.391 175.944 174.600 -0.079 0.000 1.339 6 S CA -0.476 57.678 58.200 -0.077 0.000 1.028 6 S CB 0.666 63.853 63.200 -0.021 0.000 0.906 6 S HN 0.490 nan 8.310 nan 0.000 0.528 7 F N 2.732 122.667 119.950 -0.025 0.000 2.063 7 F HA -0.183 4.344 4.527 0.001 0.000 0.298 7 F C 2.075 177.907 175.800 0.052 0.000 1.109 7 F CA 2.294 60.309 58.000 0.023 0.000 1.212 7 F CB -0.804 38.182 39.000 -0.024 0.000 0.973 7 F HN 0.438 nan 8.300 nan 0.000 0.480 8 V N 0.474 120.454 119.914 0.110 0.000 2.392 8 V HA -0.337 3.784 4.120 0.001 0.000 0.249 8 V C 2.698 178.770 176.094 -0.036 0.000 1.059 8 V CA 1.849 64.189 62.300 0.067 0.000 1.051 8 V CB -1.573 30.333 31.823 0.139 0.000 0.658 8 V HN 0.557 nan 8.190 nan 0.000 0.455 9 A N -1.028 121.740 122.820 -0.086 0.000 1.898 9 A HA -0.228 4.093 4.320 0.001 0.000 0.216 9 A C 1.969 179.502 177.584 -0.086 0.000 1.181 9 A CA 1.916 53.886 52.037 -0.112 0.000 0.620 9 A CB -0.809 18.085 19.000 -0.177 0.000 0.819 9 A HN 0.704 nan 8.150 nan 0.000 0.442 10 H N -2.140 116.895 119.070 -0.058 0.000 2.290 10 H HA -0.123 4.433 4.556 0.001 0.000 0.298 10 H C 1.941 177.258 175.328 -0.018 0.000 1.087 10 H CA 1.808 57.822 56.048 -0.056 0.000 1.291 10 H CB -0.272 29.433 29.762 -0.096 0.000 1.369 10 H HN 0.544 nan 8.280 nan 0.000 0.492 11 F N 1.211 120.991 119.950 -0.283 0.000 2.126 11 F HA -0.228 4.299 4.527 0.001 0.000 0.299 11 F C 2.478 178.197 175.800 -0.135 0.000 1.096 11 F CA 0.858 58.679 58.000 -0.299 0.000 1.255 11 F CB 0.072 38.737 39.000 -0.558 0.000 0.997 11 F HN 0.049 nan 8.300 nan 0.000 0.479 12 R N -0.143 120.352 120.500 -0.008 0.000 2.189 12 R HA -0.181 4.159 4.340 0.001 0.000 0.223 12 R C 2.000 178.290 176.300 -0.017 0.000 1.092 12 R CA 1.361 57.431 56.100 -0.048 0.000 0.989 12 R CB -0.328 29.958 30.300 -0.023 0.000 0.876 12 R HN 0.463 nan 8.270 nan 0.000 0.457 13 E N 0.693 120.922 120.200 0.048 0.000 2.086 13 E HA -0.079 4.271 4.350 0.001 0.000 0.190 13 E C 1.885 178.609 176.600 0.207 0.000 0.975 13 E CA 0.735 57.205 56.400 0.116 0.000 0.813 13 E CB 0.006 29.798 29.700 0.154 0.000 0.768 13 E HN 0.262 nan 8.360 nan 0.000 0.457 14 A N 1.495 124.430 122.820 0.193 0.000 2.032 14 A HA -0.173 4.148 4.320 0.001 0.000 0.221 14 A C 2.374 180.057 177.584 0.165 0.000 1.165 14 A CA 1.802 53.993 52.037 0.257 0.000 0.645 14 A CB -0.793 18.275 19.000 0.113 0.000 0.807 14 A HN 0.440 nan 8.150 nan 0.000 0.453 15 A N 0.559 123.360 122.820 -0.033 0.000 1.873 15 A HA -0.104 4.217 4.320 0.001 0.000 0.218 15 A C 0.357 177.871 177.584 -0.117 0.000 1.193 15 A CA 1.887 53.836 52.037 -0.147 0.000 0.629 15 A CB -1.681 17.209 19.000 -0.184 0.000 0.826 15 A HN 0.510 nan 8.150 nan 0.000 0.447 16 P HA -0.113 nan 4.420 nan 0.000 0.222 16 P C 0.689 177.761 177.300 -0.380 0.000 1.147 16 P CA 1.092 64.003 63.100 -0.316 0.000 0.790 16 P CB -0.250 31.180 31.700 -0.450 0.000 0.780 17 Y N -0.893 119.453 120.300 0.076 0.000 2.420 17 Y HA 0.074 4.624 4.550 0.001 0.000 0.292 17 Y C 2.474 178.522 175.900 0.247 0.000 1.119 17 Y CA 0.240 58.420 58.100 0.133 0.000 1.229 17 Y CB -0.904 37.657 38.460 0.169 0.000 1.026 17 Y HN -0.179 nan 8.280 nan 0.000 0.554 18 I N 0.254 121.027 120.570 0.339 0.000 2.286 18 I HA -0.302 3.869 4.170 0.001 0.000 0.248 18 I C 2.650 178.823 176.117 0.093 0.000 1.115 18 I CA 1.452 62.875 61.300 0.205 0.000 1.392 18 I CB -0.328 37.649 38.000 -0.039 0.000 1.065 18 I HN 0.162 nan 8.210 nan 0.000 0.418 19 R N 1.209 121.716 120.500 0.012 0.000 2.075 19 R HA -0.119 4.221 4.340 0.001 0.000 0.232 19 R C 1.279 177.574 176.300 -0.008 0.000 1.126 19 R CA 0.873 56.959 56.100 -0.023 0.000 0.963 19 R CB -0.021 30.238 30.300 -0.067 0.000 0.858 19 R HN 0.395 nan 8.270 nan 0.000 0.435 23 G N 1.719 110.519 108.800 -0.001 0.000 2.175 23 G HA2 -0.288 3.673 3.960 0.001 0.000 0.265 23 G HA3 -0.288 3.673 3.960 0.001 0.000 0.265 23 G C 0.118 175.002 174.900 -0.026 0.000 0.979 23 G CA 0.955 46.046 45.100 -0.015 0.000 0.663 23 G HN 0.571 nan 8.290 nan 0.000 0.533 24 T N 1.023 115.560 114.554 -0.028 0.000 2.913 24 T HA 0.567 4.917 4.350 0.001 0.000 0.287 24 T C 0.478 175.153 174.700 -0.041 0.000 1.008 24 T CA 0.642 62.712 62.100 -0.050 0.000 1.067 24 T CB 1.004 69.837 68.868 -0.058 0.000 0.996 24 T HN 0.187 nan 8.240 nan 0.000 0.513 25 T N 3.449 117.971 114.554 -0.054 0.000 2.795 25 T HA 0.573 4.924 4.350 0.001 0.000 0.282 25 T C -0.673 173.994 174.700 -0.055 0.000 0.980 25 T CA -0.511 61.560 62.100 -0.048 0.000 1.012 25 T CB 0.680 69.520 68.868 -0.046 0.000 0.936 25 T HN 0.369 nan 8.240 nan 0.000 0.457 26 L N 4.098 125.290 121.223 -0.053 0.000 2.376 26 L HA 0.644 4.984 4.340 0.001 0.000 0.275 26 L C -1.033 175.789 176.870 -0.080 0.000 0.987 26 L CA -0.787 54.013 54.840 -0.066 0.000 0.828 26 L CB 1.268 43.296 42.059 -0.053 0.000 1.249 26 L HN 0.400 nan 8.230 nan 0.000 0.409 27 V N 4.600 124.449 119.914 -0.108 0.000 2.383 27 V HA 0.619 4.739 4.120 0.001 0.000 0.275 27 V C 0.414 176.405 176.094 -0.172 0.000 1.036 27 V CA -0.344 61.875 62.300 -0.136 0.000 0.889 27 V CB 1.216 32.951 31.823 -0.146 0.000 0.985 27 V HN 0.835 nan 8.190 nan 0.000 0.459 28 A N 4.022 126.751 122.820 -0.153 0.000 2.256 28 A HA 0.716 5.037 4.320 0.001 0.000 0.317 28 A C 0.521 178.009 177.584 -0.159 0.000 1.318 28 A CA -0.218 51.729 52.037 -0.150 0.000 0.894 28 A CB 0.691 19.638 19.000 -0.089 0.000 1.165 28 A HN 1.000 nan 8.150 nan 0.000 0.525 29 G N 2.383 111.085 108.800 -0.164 0.000 2.356 29 G HA2 0.511 4.471 3.960 0.001 0.000 0.300 29 G HA3 0.511 4.471 3.960 0.001 0.000 0.300 29 G C -0.319 174.615 174.900 0.056 0.000 1.107 29 G CA -0.245 44.840 45.100 -0.025 0.000 0.960 29 G HN 0.686 nan 8.290 nan 0.000 0.418 30 I N 2.358 122.926 120.570 -0.002 0.000 2.354 30 I HA 0.156 4.327 4.170 0.001 0.000 0.292 30 I C 0.006 176.177 176.117 0.089 0.000 0.989 30 I CA -0.938 60.385 61.300 0.039 0.000 1.188 30 I CB 1.772 39.773 38.000 0.002 0.000 1.342 30 I HN 0.332 nan 8.210 nan 0.000 0.457 31 D N 4.783 125.247 120.400 0.106 0.000 2.455 31 D HA 0.000 4.641 4.640 0.001 0.000 0.241 31 D C 1.135 177.541 176.300 0.177 0.000 1.138 31 D CA 0.305 54.384 54.000 0.132 0.000 0.877 31 D CB 1.808 42.658 40.800 0.084 0.000 1.187 31 D HN 0.789 nan 8.370 nan 0.000 0.451 32 G N 3.563 112.529 108.800 0.276 0.000 2.744 32 G HA2 -0.157 3.804 3.960 0.001 0.000 0.211 32 G HA3 -0.157 3.804 3.960 0.001 0.000 0.211 32 G C 1.539 176.645 174.900 0.344 0.000 1.143 32 G CA 0.016 45.342 45.100 0.376 0.000 0.788 32 G HN 0.465 nan 8.290 nan 0.000 0.534 33 R N -0.247 120.386 120.500 0.222 0.000 2.193 33 R HA 0.135 4.475 4.340 0.001 0.000 0.229 33 R C 2.076 178.451 176.300 0.126 0.000 1.110 33 R CA 0.476 56.664 56.100 0.148 0.000 0.988 33 R CB -0.245 30.063 30.300 0.014 0.000 0.871 33 R HN 0.345 nan 8.270 nan 0.000 0.458 34 L N 0.003 121.299 121.223 0.122 0.000 2.492 34 L HA 0.021 4.362 4.340 0.001 0.000 0.223 34 L C 0.965 177.911 176.870 0.127 0.000 1.132 34 L CA 0.380 55.285 54.840 0.108 0.000 0.850 34 L CB 0.011 42.132 42.059 0.104 0.000 0.966 34 L HN 0.159 nan 8.230 nan 0.000 0.454 35 L N -0.257 121.050 121.223 0.140 0.000 2.779 35 L HA 0.074 4.415 4.340 0.001 0.000 0.239 35 L C 0.974 177.897 176.870 0.087 0.000 1.245 35 L CA 0.334 55.243 54.840 0.115 0.000 1.064 35 L CB -0.121 41.962 42.059 0.041 0.000 1.350 35 L HN 0.289 nan 8.230 nan 0.000 0.455 36 E N -1.232 119.028 120.200 0.101 0.000 2.614 36 E HA 0.118 4.469 4.350 0.001 0.000 0.201 36 E C 1.228 177.872 176.600 0.073 0.000 0.889 36 E CA 0.194 56.652 56.400 0.098 0.000 1.564 36 E CB 0.580 30.372 29.700 0.153 0.000 1.623 36 E HN 0.410 nan 8.360 nan 0.000 0.898 37 G N -0.175 108.665 108.800 0.067 0.000 2.714 37 G HA2 0.289 4.250 3.960 0.001 0.000 0.197 37 G HA3 0.289 4.250 3.960 0.001 0.000 0.197 37 G C 0.842 175.763 174.900 0.035 0.000 1.449 37 G CA 0.119 45.249 45.100 0.051 0.000 1.065 37 G HN 0.180 nan 8.290 nan 0.000 0.575 38 G N -1.010 107.806 108.800 0.028 0.000 2.956 38 G HA2 0.129 4.090 3.960 0.001 0.000 0.207 38 G HA3 0.129 4.090 3.960 0.001 0.000 0.207 38 G C 1.500 176.416 174.900 0.026 0.000 1.162 38 G CA 1.498 46.609 45.100 0.019 0.000 0.796 38 G HN 0.779 nan 8.290 nan 0.000 0.527 39 T N -1.802 112.776 114.554 0.039 0.000 3.055 39 T HA 0.109 4.460 4.350 0.001 0.000 0.265 39 T C 2.087 176.826 174.700 0.066 0.000 1.111 39 T CA 0.201 62.331 62.100 0.050 0.000 1.118 39 T CB 0.040 68.942 68.868 0.056 0.000 0.909 39 T HN 0.152 nan 8.240 nan 0.000 0.501 40 L N 0.776 122.035 121.223 0.061 0.000 2.068 40 L HA 0.035 4.376 4.340 0.001 0.000 0.204 40 L C 2.031 178.913 176.870 0.020 0.000 1.076 40 L CA 1.485 56.368 54.840 0.073 0.000 0.753 40 L CB -0.597 41.495 42.059 0.056 0.000 0.910 40 L HN 0.187 nan 8.230 nan 0.000 0.439 41 N N 0.547 119.242 118.700 -0.010 0.000 2.142 41 N HA -0.188 4.553 4.740 0.001 0.000 0.186 41 N C 1.710 177.203 175.510 -0.028 0.000 1.023 41 N CA 0.983 54.005 53.050 -0.047 0.000 0.852 41 N CB -0.157 38.306 38.487 -0.040 0.000 0.998 41 N HN 0.120 nan 8.380 nan 0.000 0.424 42 K N 1.133 121.535 120.400 0.003 0.000 2.044 42 K HA -0.015 4.306 4.320 0.001 0.000 0.210 42 K C 2.028 178.652 176.600 0.041 0.000 1.049 42 K CA 0.773 57.072 56.287 0.019 0.000 0.927 42 K CB -0.543 31.973 32.500 0.027 0.000 0.713 42 K HN 0.125 nan 8.250 nan 0.000 0.443 43 L N -0.674 120.592 121.223 0.072 0.000 2.044 43 L HA -0.142 4.199 4.340 0.001 0.000 0.205 43 L C 2.172 179.141 176.870 0.166 0.000 1.075 43 L CA 1.336 56.258 54.840 0.136 0.000 0.747 43 L CB -0.462 41.718 42.059 0.201 0.000 0.903 43 L HN 0.273 nan 8.230 nan 0.000 0.435 44 A N -0.049 122.814 122.820 0.071 0.000 1.873 44 A HA -0.315 4.005 4.320 0.001 0.000 0.218 44 A C 2.450 179.983 177.584 -0.085 0.000 1.193 44 A CA 2.190 54.118 52.037 -0.183 0.000 0.629 44 A CB -1.119 17.549 19.000 -0.553 0.000 0.826 44 A HN 0.537 nan 8.150 nan 0.000 0.447 45 A N -0.089 122.694 122.820 -0.062 0.000 1.884 45 A HA -0.297 4.024 4.320 0.001 0.000 0.219 45 A C 1.794 179.393 177.584 0.025 0.000 1.197 45 A CA 2.318 54.340 52.037 -0.024 0.000 0.637 45 A CB -0.850 18.139 19.000 -0.019 0.000 0.827 45 A HN 0.511 nan 8.150 nan 0.000 0.450 46 D N -0.397 120.038 120.400 0.059 0.000 2.144 46 D HA -0.061 4.579 4.640 0.001 0.000 0.200 46 D C 1.832 178.203 176.300 0.118 0.000 0.978 46 D CA 1.026 55.079 54.000 0.088 0.000 0.833 46 D CB -0.349 40.509 40.800 0.098 0.000 0.961 46 D HN 0.546 nan 8.370 nan 0.000 0.470 47 I N 0.867 121.525 120.570 0.147 0.000 2.315 47 I HA -0.144 4.027 4.170 0.001 0.000 0.248 47 I C 2.505 178.710 176.117 0.147 0.000 1.117 47 I CA 1.201 62.613 61.300 0.187 0.000 1.404 47 I CB -0.399 37.802 38.000 0.334 0.000 1.071 47 I HN 0.014 nan 8.210 nan 0.000 0.419 48 G N 0.841 109.699 108.800 0.097 0.000 2.442 48 G HA2 -0.237 3.724 3.960 0.001 0.000 0.219 48 G HA3 -0.237 3.724 3.960 0.001 0.000 0.219 48 G C 1.719 176.653 174.900 0.057 0.000 1.141 48 G CA 0.484 45.619 45.100 0.058 0.000 0.763 48 G HN 0.332 nan 8.290 nan 0.000 0.554 49 L N 0.003 121.262 121.223 0.061 0.000 2.044 49 L HA 0.111 4.451 4.340 0.001 0.000 0.205 49 L C 2.861 179.773 176.870 0.070 0.000 1.075 49 L CA 0.798 55.668 54.840 0.050 0.000 0.747 49 L CB -0.241 41.844 42.059 0.044 0.000 0.903 49 L HN 0.204 nan 8.230 nan 0.000 0.435 50 L N -0.702 120.593 121.223 0.120 0.000 2.043 50 L HA -0.283 4.058 4.340 0.001 0.000 0.212 50 L C 2.791 179.726 176.870 0.109 0.000 1.075 50 L CA 1.504 56.437 54.840 0.155 0.000 0.752 50 L CB -0.898 41.265 42.059 0.173 0.000 0.891 50 L HN 0.308 nan 8.230 nan 0.000 0.432 51 S N -0.568 115.187 115.700 0.092 0.000 2.359 51 S HA -0.238 4.232 4.470 0.001 0.000 0.223 51 S C 1.975 176.605 174.600 0.050 0.000 1.039 51 S CA 1.470 59.711 58.200 0.068 0.000 1.042 51 S CB -0.101 63.138 63.200 0.066 0.000 0.915 51 S HN 0.416 nan 8.310 nan 0.000 0.439 52 Q N 0.373 120.200 119.800 0.044 0.000 2.437 52 Q HA 0.133 4.474 4.340 0.001 0.000 0.210 52 Q C 1.596 177.611 176.000 0.026 0.000 0.972 52 Q CA 0.645 56.466 55.803 0.030 0.000 0.903 52 Q CB -0.373 28.380 28.738 0.026 0.000 0.967 52 Q HN 0.561 nan 8.270 nan 0.000 0.486 53 L N -1.024 120.219 121.223 0.034 0.000 2.628 53 L HA 0.219 4.559 4.340 0.001 0.000 0.229 53 L C 0.850 177.746 176.870 0.043 0.000 1.137 53 L CA 0.258 55.115 54.840 0.027 0.000 0.909 53 L CB 0.004 42.078 42.059 0.024 0.000 1.137 53 L HN 0.254 nan 8.230 nan 0.000 0.470 54 G N 1.209 110.032 108.800 0.038 0.000 2.147 54 G HA2 -0.280 3.681 3.960 0.001 0.000 0.244 54 G HA3 -0.280 3.681 3.960 0.001 0.000 0.244 54 G C 0.064 174.984 174.900 0.034 0.000 1.005 54 G CA -0.190 44.926 45.100 0.027 0.000 0.713 54 G HN 0.305 nan 8.290 nan 0.000 0.515 55 I N 0.734 121.337 120.570 0.054 0.000 2.325 55 I HA 0.332 4.502 4.170 0.001 0.000 0.291 55 I C 1.032 177.165 176.117 0.026 0.000 1.019 55 I CA -0.812 60.517 61.300 0.047 0.000 1.302 55 I CB 0.845 38.895 38.000 0.082 0.000 1.401 55 I HN 0.064 nan 8.210 nan 0.000 0.485 56 R N 6.850 127.351 120.500 0.003 0.000 2.370 56 R HA 0.442 4.783 4.340 0.001 0.000 0.309 56 R C -1.127 175.165 176.300 -0.013 0.000 1.059 56 R CA -0.110 55.983 56.100 -0.011 0.000 0.981 56 R CB 0.178 30.460 30.300 -0.030 0.000 0.972 56 R HN 0.490 nan 8.270 nan 0.000 0.437 57 L N 3.262 124.482 121.223 -0.004 0.000 2.333 57 L HA 0.487 4.827 4.340 0.001 0.000 0.280 57 L C -0.751 176.105 176.870 -0.022 0.000 1.004 57 L CA -0.997 53.843 54.840 -0.001 0.000 0.820 57 L CB 2.029 44.114 42.059 0.043 0.000 1.247 57 L HN 0.315 nan 8.230 nan 0.000 0.416 58 V N 4.896 124.776 119.914 -0.056 0.000 2.444 58 V HA 0.474 4.594 4.120 0.001 0.000 0.294 58 V C -0.195 175.831 176.094 -0.113 0.000 1.022 58 V CA -0.434 61.815 62.300 -0.085 0.000 0.850 58 V CB 1.791 33.545 31.823 -0.115 0.000 0.992 58 V HN 0.503 nan 8.190 nan 0.000 0.426 59 L N 6.202 127.341 121.223 -0.140 0.000 2.322 59 L HA 0.689 5.029 4.340 0.001 0.000 0.281 59 L C -0.624 175.981 176.870 -0.442 0.000 1.014 59 L CA -0.436 54.247 54.840 -0.262 0.000 0.815 59 L CB 1.718 43.628 42.059 -0.249 0.000 1.247 59 L HN 0.443 nan 8.230 nan 0.000 0.421 60 I N 1.855 122.181 120.570 -0.406 0.000 2.498 60 I HA 0.396 4.567 4.170 0.001 0.000 0.290 60 I C -0.623 175.270 176.117 -0.372 0.000 1.032 60 I CA -0.720 60.327 61.300 -0.422 0.000 1.073 60 I CB 1.999 39.846 38.000 -0.255 0.000 1.251 60 I HN 0.713 nan 8.210 nan 0.000 0.426 61 H N 2.825 121.607 119.070 -0.480 0.000 2.670 61 H HA 0.835 5.391 4.556 0.001 0.000 0.361 61 H C -0.215 175.033 175.328 -0.134 0.000 1.169 61 H CA -0.778 55.101 56.048 -0.282 0.000 1.198 61 H CB 1.589 31.177 29.762 -0.289 0.000 1.700 61 H HN 0.640 nan 8.280 nan 0.000 0.542 62 G N -0.859 107.941 108.800 0.001 0.000 2.462 62 G HA2 0.489 4.449 3.960 0.001 0.000 0.319 62 G HA3 0.489 4.449 3.960 0.001 0.000 0.319 62 G C -0.100 174.959 174.900 0.265 0.000 1.171 62 G CA -0.613 44.465 45.100 -0.037 0.000 0.920 62 G HN 0.987 nan 8.290 nan 0.000 0.499 63 A N -0.575 122.334 122.820 0.148 0.000 2.551 63 A HA 0.366 4.687 4.320 0.001 0.000 0.252 63 A C 1.237 178.978 177.584 0.262 0.000 1.199 63 A CA -0.117 52.095 52.037 0.291 0.000 0.972 63 A CB 0.070 19.276 19.000 0.343 0.000 1.153 63 A HN 0.541 nan 8.150 nan 0.000 0.559 64 Y N 0.576 120.934 120.300 0.097 0.000 2.145 64 Y HA -0.171 4.379 4.550 0.001 0.000 0.286 64 Y C 2.469 178.343 175.900 -0.044 0.000 1.145 64 Y CA 1.334 59.440 58.100 0.010 0.000 1.148 64 Y CB -0.786 37.647 38.460 -0.045 0.000 0.981 64 Y HN 0.526 nan 8.280 nan 0.000 0.507 65 H N -2.197 117.034 119.070 0.267 0.000 2.423 65 H HA -0.147 4.409 4.556 0.001 0.000 0.297 65 H C 2.156 177.525 175.328 0.068 0.000 1.075 65 H CA 1.319 57.459 56.048 0.153 0.000 1.342 65 H CB -0.631 29.213 29.762 0.138 0.000 1.395 65 H HN 0.302 nan 8.280 nan 0.000 0.530 66 F N 1.480 121.408 119.950 -0.036 0.000 2.234 66 F HA -0.080 4.447 4.527 0.001 0.000 0.299 66 F C 2.199 177.891 175.800 -0.180 0.000 1.087 66 F CA 0.642 58.476 58.000 -0.277 0.000 1.340 66 F CB -0.397 37.992 39.000 -1.018 0.000 1.031 66 F HN -0.040 nan 8.300 nan 0.000 0.500 67 L N -0.251 120.937 121.223 -0.058 0.000 2.109 67 L HA -0.159 4.182 4.340 0.001 0.000 0.207 67 L C 1.904 178.703 176.870 -0.119 0.000 1.086 67 L CA 1.167 55.964 54.840 -0.072 0.000 0.760 67 L CB -0.630 41.467 42.059 0.063 0.000 0.910 67 L HN 0.044 nan 8.230 nan 0.000 0.437 68 D N -0.464 119.903 120.400 -0.056 0.000 2.149 68 D HA -0.148 4.492 4.640 0.001 0.000 0.201 68 D C 2.161 178.410 176.300 -0.085 0.000 0.972 68 D CA 0.737 54.715 54.000 -0.035 0.000 0.835 68 D CB -0.176 40.647 40.800 0.039 0.000 0.966 68 D HN 0.108 nan 8.370 nan 0.000 0.476 69 R N 0.357 120.780 120.500 -0.129 0.000 2.105 69 R HA -0.056 4.285 4.340 0.001 0.000 0.239 69 R C 2.235 178.404 176.300 -0.218 0.000 1.135 69 R CA 0.666 56.673 56.100 -0.155 0.000 0.967 69 R CB -0.168 30.035 30.300 -0.162 0.000 0.861 69 R HN 0.210 nan 8.270 nan 0.000 0.442 70 L N -0.441 120.581 121.223 -0.335 0.000 2.044 70 L HA -0.072 4.269 4.340 0.001 0.000 0.205 70 L C 2.477 179.258 176.870 -0.149 0.000 1.075 70 L CA 1.214 55.894 54.840 -0.267 0.000 0.747 70 L CB -0.599 41.251 42.059 -0.347 0.000 0.903 70 L HN 0.260 nan 8.230 nan 0.000 0.435 71 A N -0.334 122.410 122.820 -0.128 0.000 2.178 71 A HA -0.050 4.270 4.320 0.001 0.000 0.218 71 A C 2.206 179.750 177.584 -0.067 0.000 1.157 71 A CA 1.577 53.563 52.037 -0.085 0.000 0.689 71 A CB -0.400 18.555 19.000 -0.074 0.000 0.787 71 A HN 0.456 nan 8.150 nan 0.000 0.465 72 A N -1.485 121.294 122.820 -0.068 0.000 2.140 72 A HA 0.584 4.905 4.320 0.001 0.000 0.209 72 A C 2.017 179.573 177.584 -0.047 0.000 1.181 72 A CA 1.009 53.017 52.037 -0.048 0.000 0.824 72 A CB -0.221 18.758 19.000 -0.036 0.000 0.879 72 A HN 0.879 nan 8.150 nan 0.000 0.480 73 A N -1.216 121.568 122.820 -0.060 0.000 2.220 73 A HA 0.210 4.531 4.320 0.001 0.000 0.211 73 A C 1.717 179.274 177.584 -0.045 0.000 1.176 73 A CA 0.903 52.910 52.037 -0.049 0.000 0.834 73 A CB -0.078 18.888 19.000 -0.057 0.000 0.868 73 A HN 0.470 nan 8.150 nan 0.000 0.488 74 Q N -1.852 117.917 119.800 -0.051 0.000 2.319 74 Q HA 0.312 4.652 4.340 0.001 0.000 0.209 74 Q C 1.241 177.219 176.000 -0.036 0.000 0.884 74 Q CA 0.643 56.421 55.803 -0.042 0.000 0.938 74 Q CB 0.394 29.103 28.738 -0.048 0.000 1.098 74 Q HN 0.732 nan 8.270 nan 0.000 0.517 75 G N 1.056 109.833 108.800 -0.039 0.000 2.475 75 G HA2 -0.274 3.687 3.960 0.001 0.000 0.209 75 G HA3 -0.274 3.687 3.960 0.001 0.000 0.209 75 G C -0.022 174.852 174.900 -0.043 0.000 1.127 75 G CA -0.172 44.907 45.100 -0.035 0.000 0.681 75 G HN 0.334 nan 8.290 nan 0.000 0.517 76 R N 1.416 121.887 120.500 -0.049 0.000 2.873 76 R HA 0.422 4.762 4.340 0.001 0.000 0.267 76 R C 0.076 176.334 176.300 -0.071 0.000 1.009 76 R CA 1.053 57.117 56.100 -0.061 0.000 1.152 76 R CB -0.431 29.834 30.300 -0.058 0.000 1.047 76 R HN 0.792 nan 8.270 nan 0.000 0.470 77 T N -1.856 112.640 114.554 -0.097 0.000 2.893 77 T HA 0.446 4.796 4.350 0.001 0.000 0.293 77 T C -2.430 172.188 174.700 -0.136 0.000 1.027 77 T CA -1.875 60.163 62.100 -0.105 0.000 0.988 77 T CB 1.869 70.670 68.868 -0.111 0.000 1.043 77 T HN 0.524 nan 8.240 nan 0.000 0.461 78 P HA 0.354 nan 4.420 nan 0.000 0.271 78 P C -1.039 176.261 177.300 0.000 0.000 1.216 78 P CA -0.167 62.901 63.100 -0.054 0.000 0.776 78 P CB 0.311 32.083 31.700 0.119 0.000 0.881 79 H N 1.237 120.188 119.070 -0.197 0.000 2.538 79 H HA 0.482 5.038 4.556 0.001 0.000 0.353 79 H C -0.904 174.221 175.328 -0.338 0.000 1.109 79 H CA -0.457 55.509 56.048 -0.137 0.000 1.192 79 H CB 0.900 30.602 29.762 -0.099 0.000 1.555 79 H HN 0.329 nan 8.280 nan 0.000 0.518 80 Y N 0.574 120.866 120.300 -0.015 0.000 2.425 80 Y HA 0.342 4.893 4.550 0.001 0.000 0.344 80 Y C -0.344 175.485 175.900 -0.118 0.000 0.969 80 Y CA -0.611 57.433 58.100 -0.093 0.000 1.052 80 Y CB 2.003 40.409 38.460 -0.090 0.000 1.215 80 Y HN 0.563 nan 8.280 nan 0.000 0.451 81 C N 5.130 124.442 119.300 0.020 0.000 2.653 81 C HA 0.565 5.026 4.460 0.001 0.000 0.291 81 C C 0.624 175.618 174.990 0.006 0.000 1.064 81 C CA -0.621 58.384 59.018 -0.021 0.000 1.469 81 C CB -1.245 26.458 27.740 -0.061 0.000 1.861 81 C HN 1.005 nan 8.230 nan 0.000 0.434 82 R N 2.637 123.145 120.500 0.014 0.000 3.728 82 R HA -0.098 4.243 4.340 0.001 0.000 0.478 82 R C 0.994 177.319 176.300 0.042 0.000 0.932 82 R CA 2.303 58.412 56.100 0.015 0.000 1.317 82 R CB -1.616 28.688 30.300 0.006 0.000 1.987 82 R HN 2.105 nan 8.270 nan 0.000 0.509 83 G N -1.286 107.566 108.800 0.087 0.000 2.380 83 G HA2 -0.189 3.771 3.960 0.001 0.000 0.197 83 G HA3 -0.189 3.771 3.960 0.001 0.000 0.197 83 G C 0.084 175.129 174.900 0.243 0.000 1.001 83 G CA -0.115 45.064 45.100 0.133 0.000 0.668 83 G HN 0.224 nan 8.290 nan 0.000 0.483 84 L N 1.208 122.520 121.223 0.149 0.000 2.483 84 L HA 0.403 4.744 4.340 0.001 0.000 0.276 84 L C 1.111 177.916 176.870 -0.108 0.000 1.213 84 L CA -0.086 54.804 54.840 0.083 0.000 0.843 84 L CB 0.394 42.481 42.059 0.046 0.000 1.107 84 L HN 0.218 nan 8.230 nan 0.000 0.487 85 R N 1.628 121.901 120.500 -0.378 0.000 2.295 85 R HA 0.373 4.713 4.340 0.001 0.000 0.324 85 R C -0.984 175.097 176.300 -0.365 0.000 0.968 85 R CA -0.764 54.893 56.100 -0.738 0.000 0.837 85 R CB 1.352 30.913 30.300 -1.230 0.000 1.133 85 R HN 0.453 nan 8.270 nan 0.000 0.450 86 V N 4.572 124.309 119.914 -0.296 0.000 2.506 86 V HA -0.032 4.089 4.120 0.001 0.000 0.296 86 V C 0.271 176.291 176.094 -0.125 0.000 1.004 86 V CA 0.599 62.813 62.300 -0.142 0.000 1.150 86 V CB 0.250 32.025 31.823 -0.080 0.000 0.911 86 V HN 0.856 nan 8.190 nan 0.000 0.476 87 T N 1.606 116.154 114.554 -0.010 0.000 2.809 87 T HA 0.596 4.946 4.350 0.001 0.000 0.284 87 T C -0.712 174.085 174.700 0.163 0.000 0.992 87 T CA -1.036 61.091 62.100 0.044 0.000 0.957 87 T CB 1.706 70.618 68.868 0.074 0.000 0.942 87 T HN 0.725 nan 8.240 nan 0.000 0.439 88 D N 1.177 121.647 120.400 0.116 0.000 2.437 88 D HA 0.246 4.886 4.640 0.001 0.000 0.259 88 D C 1.176 177.516 176.300 0.067 0.000 1.118 88 D CA -1.098 53.020 54.000 0.197 0.000 1.017 88 D CB 0.783 41.645 40.800 0.103 0.000 1.120 88 D HN 0.586 nan 8.370 nan 0.000 0.541 89 E N -0.565 119.664 120.200 0.049 0.000 2.149 89 E HA -0.299 4.052 4.350 0.001 0.000 0.215 89 E C 1.478 178.000 176.600 -0.131 0.000 1.055 89 E CA 2.654 58.940 56.400 -0.190 0.000 0.870 89 E CB -0.086 29.602 29.700 -0.020 0.000 0.764 89 E HN 0.584 nan 8.360 nan 0.000 0.463 90 T N -0.384 114.144 114.554 -0.044 0.000 2.708 90 T HA -0.183 4.167 4.350 0.001 0.000 0.266 90 T C 2.075 176.761 174.700 -0.023 0.000 1.037 90 T CA 1.676 63.759 62.100 -0.029 0.000 1.146 90 T CB -0.373 68.488 68.868 -0.012 0.000 0.865 90 T HN 0.354 nan 8.240 nan 0.000 0.435 91 S N 2.174 117.863 115.700 -0.018 0.000 2.387 91 S HA 0.033 4.503 4.470 0.001 0.000 0.226 91 S C 2.107 176.714 174.600 0.012 0.000 1.026 91 S CA 0.289 58.491 58.200 0.002 0.000 0.972 91 S CB -0.806 62.391 63.200 -0.006 0.000 0.814 91 S HN 0.309 nan 8.310 nan 0.000 0.477 92 L N 1.993 123.188 121.223 -0.045 0.000 2.034 92 L HA -0.143 4.198 4.340 0.001 0.000 0.217 92 L C 2.527 179.360 176.870 -0.062 0.000 1.077 92 L CA 2.502 57.282 54.840 -0.100 0.000 0.769 92 L CB -1.807 40.056 42.059 -0.327 0.000 0.890 92 L HN 0.559 nan 8.230 nan 0.000 0.435 93 G N -1.265 107.498 108.800 -0.061 0.000 2.402 93 G HA2 -0.253 3.707 3.960 0.001 0.000 0.216 93 G HA3 -0.253 3.707 3.960 0.001 0.000 0.216 93 G C 1.362 176.293 174.900 0.051 0.000 1.162 93 G CA 0.482 45.572 45.100 -0.018 0.000 0.777 93 G HN 0.574 nan 8.290 nan 0.000 0.539 94 Q N 0.284 120.132 119.800 0.081 0.000 2.226 94 Q HA 0.082 4.423 4.340 0.001 0.000 0.204 94 Q C 2.784 178.925 176.000 0.235 0.000 0.975 94 Q CA 1.070 56.975 55.803 0.170 0.000 0.866 94 Q CB -0.177 28.664 28.738 0.171 0.000 0.915 94 Q HN 0.489 nan 8.270 nan 0.000 0.440 95 A N 0.831 123.757 122.820 0.178 0.000 1.975 95 A HA -0.132 4.189 4.320 0.001 0.000 0.215 95 A C 1.943 179.647 177.584 0.201 0.000 1.170 95 A CA 0.656 52.823 52.037 0.216 0.000 0.656 95 A CB -0.106 18.991 19.000 0.162 0.000 0.821 95 A HN 0.268 nan 8.150 nan 0.000 0.449 96 Q N -0.453 119.423 119.800 0.127 0.000 2.084 96 Q HA -0.225 4.116 4.340 0.001 0.000 0.202 96 Q C 2.259 178.331 176.000 0.120 0.000 0.978 96 Q CA 1.731 57.597 55.803 0.106 0.000 0.844 96 Q CB -0.190 28.585 28.738 0.062 0.000 0.898 96 Q HN 0.755 nan 8.270 nan 0.000 0.426 97 Q N -0.203 119.676 119.800 0.133 0.000 2.020 97 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 97 Q C 1.885 177.965 176.000 0.133 0.000 0.982 97 Q CA 1.399 57.279 55.803 0.129 0.000 0.838 97 Q CB -0.223 28.604 28.738 0.148 0.000 0.899 97 Q HN 0.279 nan 8.270 nan 0.000 0.423 98 F N 1.245 121.151 119.950 -0.072 0.000 2.065 98 F HA -0.307 4.220 4.527 0.001 0.000 0.298 98 F C 2.184 177.928 175.800 -0.093 0.000 1.112 98 F CA 1.552 59.386 58.000 -0.275 0.000 1.212 98 F CB -0.720 37.947 39.000 -0.554 0.000 0.975 98 F HN 0.059 nan 8.300 nan 0.000 0.476 99 A N 0.315 123.212 122.820 0.129 0.000 1.915 99 A HA -0.260 4.061 4.320 0.001 0.000 0.220 99 A C 2.516 180.121 177.584 0.035 0.000 1.198 99 A CA 2.368 54.494 52.037 0.148 0.000 0.647 99 A CB -1.904 17.236 19.000 0.234 0.000 0.825 99 A HN 0.579 nan 8.150 nan 0.000 0.456 100 G N -2.289 106.525 108.800 0.024 0.000 2.408 100 G HA2 -0.127 3.834 3.960 0.001 0.000 0.217 100 G HA3 -0.127 3.834 3.960 0.001 0.000 0.217 100 G C 1.662 176.518 174.900 -0.074 0.000 1.150 100 G CA 1.789 46.886 45.100 -0.005 0.000 0.776 100 G HN 0.551 nan 8.290 nan 0.000 0.542 101 T N -0.194 114.293 114.554 -0.111 0.000 2.812 101 T HA -0.058 4.293 4.350 0.001 0.000 0.264 101 T C 2.418 176.983 174.700 -0.224 0.000 1.042 101 T CA 1.520 63.540 62.100 -0.133 0.000 1.140 101 T CB -0.205 68.603 68.868 -0.101 0.000 0.870 101 T HN -0.008 nan 8.240 nan 0.000 0.445 102 V N 1.338 121.017 119.914 -0.392 0.000 2.548 102 V HA 0.042 4.163 4.120 0.001 0.000 0.249 102 V C 2.770 178.685 176.094 -0.298 0.000 1.055 102 V CA 1.581 63.618 62.300 -0.438 0.000 1.065 102 V CB -0.584 30.696 31.823 -0.905 0.000 0.681 102 V HN 0.413 nan 8.190 nan 0.000 0.462 103 R N -0.359 119.987 120.500 -0.256 0.000 2.075 103 R HA -0.146 4.194 4.340 0.001 0.000 0.232 103 R C 2.595 178.661 176.300 -0.391 0.000 1.126 103 R CA 1.800 57.605 56.100 -0.492 0.000 0.963 103 R CB -0.366 29.781 30.300 -0.255 0.000 0.858 103 R HN 0.473 nan 8.270 nan 0.000 0.435 104 S N -0.017 115.546 115.700 -0.228 0.000 2.383 104 S HA -0.086 4.385 4.470 0.001 0.000 0.227 104 S C 1.907 176.408 174.600 -0.165 0.000 1.026 104 S CA 0.980 59.079 58.200 -0.167 0.000 0.981 104 S CB 0.012 63.146 63.200 -0.110 0.000 0.818 104 S HN 0.358 nan 8.310 nan 0.000 0.472 105 R N -0.539 119.864 120.500 -0.162 0.000 2.073 105 R HA 0.051 4.392 4.340 0.001 0.000 0.229 105 R C 2.053 178.256 176.300 -0.161 0.000 1.120 105 R CA 1.587 57.606 56.100 -0.136 0.000 0.967 105 R CB -0.586 29.651 30.300 -0.105 0.000 0.862 105 R HN 0.508 nan 8.270 nan 0.000 0.436 106 F N 1.923 121.669 119.950 -0.340 0.000 2.202 106 F HA -0.202 4.326 4.527 0.001 0.000 0.301 106 F C 2.234 177.841 175.800 -0.321 0.000 1.082 106 F CA 1.626 59.403 58.000 -0.371 0.000 1.313 106 F CB 0.062 38.659 39.000 -0.671 0.000 1.024 106 F HN 0.033 nan 8.300 nan 0.000 0.495 107 E N -0.155 119.874 120.200 -0.285 0.000 2.112 107 E HA -0.104 4.247 4.350 0.001 0.000 0.190 107 E C 2.257 178.718 176.600 -0.232 0.000 0.979 107 E CA 0.786 57.039 56.400 -0.245 0.000 0.814 107 E CB -0.199 29.393 29.700 -0.180 0.000 0.762 107 E HN 0.431 nan 8.360 nan 0.000 0.460 108 A N 1.169 123.868 122.820 -0.202 0.000 1.898 108 A HA -0.031 4.289 4.320 0.001 0.000 0.216 108 A C 2.364 179.835 177.584 -0.188 0.000 1.181 108 A CA 1.509 53.451 52.037 -0.159 0.000 0.620 108 A CB -0.667 18.260 19.000 -0.121 0.000 0.819 108 A HN 0.385 nan 8.150 nan 0.000 0.442 109 A N -0.263 122.405 122.820 -0.253 0.000 1.877 109 A HA -0.083 4.237 4.320 0.001 0.000 0.216 109 A C 2.207 179.600 177.584 -0.319 0.000 1.186 109 A CA 1.551 53.422 52.037 -0.276 0.000 0.620 109 A CB -0.632 18.168 19.000 -0.333 0.000 0.822 109 A HN 0.482 nan 8.150 nan 0.000 0.443 110 L N -0.688 120.255 121.223 -0.467 0.000 2.027 110 L HA -0.193 4.148 4.340 0.001 0.000 0.206 110 L C 2.659 179.405 176.870 -0.206 0.000 1.074 110 L CA 2.120 56.728 54.840 -0.387 0.000 0.745 110 L CB -0.577 41.190 42.059 -0.487 0.000 0.898 110 L HN 0.593 nan 8.230 nan 0.000 0.433 111 C N 0.230 119.422 119.300 -0.181 0.000 2.448 111 C HA 0.043 4.503 4.460 0.001 0.000 0.280 111 C C 1.737 176.669 174.990 -0.097 0.000 1.398 111 C CA 0.638 59.587 59.018 -0.114 0.000 1.774 111 C CB -1.265 26.416 27.740 -0.098 0.000 1.888 111 C HN 0.605 nan 8.230 nan 0.000 0.519 112 G N 0.314 109.046 108.800 -0.114 0.000 4.477 112 G HA2 0.521 4.481 3.960 0.001 0.000 0.319 112 G HA3 0.521 4.481 3.960 0.001 0.000 0.319 112 G C -0.222 174.628 174.900 -0.084 0.000 1.391 112 G CA 0.512 45.559 45.100 -0.089 0.000 1.261 112 G HN 0.520 nan 8.290 nan 0.000 0.556 123 V N 5.145 125.058 119.914 -0.001 0.000 2.886 123 V HA 0.073 4.194 4.120 0.001 0.000 0.294 123 V C -2.081 174.028 176.094 0.026 0.000 1.219 123 V CA 0.613 62.922 62.300 0.016 0.000 1.334 123 V CB -0.432 31.407 31.823 0.027 0.000 0.828 123 V HN 0.523 nan 8.190 nan 0.000 0.480 124 P HA 0.387 nan 4.420 nan 0.000 0.281 124 P C -0.900 176.439 177.300 0.066 0.000 1.286 124 P CA -0.409 62.715 63.100 0.040 0.000 0.772 124 P CB 1.356 33.073 31.700 0.029 0.000 0.862 125 L N 5.418 126.686 121.223 0.074 0.000 2.381 125 L HA 0.572 4.913 4.340 0.001 0.000 0.274 125 L C -1.153 175.787 176.870 0.117 0.000 0.988 125 L CA -0.739 54.169 54.840 0.112 0.000 0.824 125 L CB 2.120 44.244 42.059 0.108 0.000 1.263 125 L HN 0.123 nan 8.230 nan 0.000 0.410 126 V N 3.391 123.405 119.914 0.166 0.000 2.962 126 V HA 0.892 5.013 4.120 0.001 0.000 0.313 126 V C -0.799 175.470 176.094 0.291 0.000 1.099 126 V CA -0.297 62.122 62.300 0.198 0.000 0.971 126 V CB 2.492 34.434 31.823 0.199 0.000 1.028 126 V HN 0.865 nan 8.190 nan 0.000 0.430 127 S N 1.741 117.616 115.700 0.292 0.000 2.535 127 S HA 0.875 5.346 4.470 0.001 0.000 0.272 127 S C -0.691 173.998 174.600 0.148 0.000 1.149 127 S CA 0.239 58.637 58.200 0.331 0.000 0.888 127 S CB 1.663 65.036 63.200 0.289 0.000 1.110 127 S HN 1.500 nan 8.310 nan 0.000 0.463 128 G N 2.001 110.750 108.800 -0.085 0.000 2.660 128 G HA2 0.407 4.368 3.960 0.001 0.000 0.290 128 G HA3 0.407 4.368 3.960 0.001 0.000 0.290 128 G C -1.359 173.070 174.900 -0.785 0.000 1.432 128 G CA -0.846 43.838 45.100 -0.693 0.000 0.807 128 G HN 0.827 nan 8.290 nan 0.000 0.485 129 N N 0.417 118.765 118.700 -0.586 0.000 3.178 129 N HA 0.160 4.900 4.740 0.001 0.000 0.300 129 N C 0.162 175.485 175.510 -0.311 0.000 1.242 129 N CA -0.734 52.139 53.050 -0.295 0.000 1.192 129 N CB -0.171 38.262 38.487 -0.089 0.000 1.463 129 N HN 0.362 nan 8.380 nan 0.000 0.539 130 F N -0.297 119.700 119.950 0.079 0.000 2.615 130 F HA 0.214 4.742 4.527 0.001 0.000 0.297 130 F C 0.872 176.702 175.800 0.050 0.000 1.124 130 F CA 0.002 58.040 58.000 0.063 0.000 1.451 130 F CB 0.348 39.378 39.000 0.051 0.000 1.103 130 F HN 0.121 nan 8.300 nan 0.000 0.569 131 L N 1.002 122.315 121.223 0.150 0.000 2.333 131 L HA 0.389 4.729 4.340 0.001 0.000 0.280 131 L C -0.023 176.875 176.870 0.046 0.000 1.004 131 L CA -0.755 54.141 54.840 0.093 0.000 0.820 131 L CB 1.797 43.891 42.059 0.058 0.000 1.247 131 L HN -0.066 nan 8.230 nan 0.000 0.416 132 T N 0.266 114.830 114.554 0.017 0.000 2.794 132 T HA 0.787 5.137 4.350 0.001 0.000 0.280 132 T C -0.085 174.580 174.700 -0.057 0.000 0.987 132 T CA -0.563 61.502 62.100 -0.058 0.000 0.993 132 T CB 1.983 70.727 68.868 -0.207 0.000 0.939 132 T HN 0.631 nan 8.240 nan 0.000 0.449 133 A N 3.424 126.233 122.820 -0.019 0.000 2.263 133 A HA 1.009 5.329 4.320 0.001 0.000 0.318 133 A C 0.116 177.627 177.584 -0.122 0.000 1.111 133 A CA -1.315 50.710 52.037 -0.019 0.000 0.901 133 A CB 1.018 20.080 19.000 0.103 0.000 1.280 133 A HN 1.204 nan 8.150 nan 0.000 0.503 134 R N -0.646 119.656 120.500 -0.330 0.000 2.629 134 R HA 0.542 4.883 4.340 0.001 0.000 0.266 134 R C -3.340 172.493 176.300 -0.778 0.000 1.051 134 R CA -1.703 54.079 56.100 -0.531 0.000 0.895 134 R CB 1.421 31.562 30.300 -0.265 0.000 1.246 134 R HN 0.414 nan 8.270 nan 0.000 0.459 135 P HA 0.069 nan 4.420 nan 0.000 0.267 135 P C 0.883 177.992 177.300 -0.318 0.000 1.205 135 P CA -0.160 62.533 63.100 -0.678 0.000 0.765 135 P CB 0.681 32.105 31.700 -0.460 0.000 0.828 136 I N 1.155 121.604 120.570 -0.201 0.000 2.315 136 I HA -0.260 3.910 4.170 0.001 0.000 0.251 136 I C 1.682 177.738 176.117 -0.101 0.000 1.125 136 I CA 2.005 63.234 61.300 -0.117 0.000 1.392 136 I CB -0.975 36.984 38.000 -0.067 0.000 1.065 136 I HN 0.695 nan 8.210 nan 0.000 0.424 137 G N 0.198 108.934 108.800 -0.106 0.000 2.662 137 G HA2 -0.214 3.746 3.960 0.001 0.000 0.236 137 G HA3 -0.214 3.746 3.960 0.001 0.000 0.236 137 G C -0.397 174.465 174.900 -0.065 0.000 1.212 137 G CA -0.231 44.818 45.100 -0.085 0.000 0.968 137 G HN 0.053 nan 8.290 nan 0.000 0.576 138 V N 1.590 121.472 119.914 -0.054 0.000 2.444 138 V HA 0.628 4.749 4.120 0.001 0.000 0.294 138 V C 0.278 176.348 176.094 -0.042 0.000 1.022 138 V CA -0.495 61.778 62.300 -0.046 0.000 0.850 138 V CB 1.442 33.241 31.823 -0.040 0.000 0.992 138 V HN 0.635 nan 8.190 nan 0.000 0.426 139 I N 3.804 124.349 120.570 -0.042 0.000 2.355 139 I HA 0.434 4.604 4.170 0.001 0.000 0.288 139 I C 0.077 176.170 176.117 -0.040 0.000 0.999 139 I CA -0.304 60.973 61.300 -0.039 0.000 1.163 139 I CB 1.346 39.324 38.000 -0.036 0.000 1.316 139 I HN 0.645 nan 8.210 nan 0.000 0.454 140 D N 5.394 125.773 120.400 -0.035 0.000 2.800 140 D HA -0.171 4.469 4.640 0.001 0.000 0.232 140 D C 1.098 177.376 176.300 -0.036 0.000 1.137 140 D CA 1.467 55.446 54.000 -0.035 0.000 0.718 140 D CB -0.751 40.026 40.800 -0.038 0.000 1.084 140 D HN 1.167 nan 8.370 nan 0.000 0.432 141 G N -1.436 107.344 108.800 -0.033 0.000 2.217 141 G HA2 -0.298 3.662 3.960 0.001 0.000 0.246 141 G HA3 -0.298 3.662 3.960 0.001 0.000 0.246 141 G C 0.434 175.314 174.900 -0.033 0.000 0.990 141 G CA 0.582 45.664 45.100 -0.030 0.000 0.627 141 G HN 0.493 nan 8.290 nan 0.000 0.522 142 T N 1.656 116.185 114.554 -0.042 0.000 2.749 142 T HA 0.530 4.880 4.350 0.001 0.000 0.287 142 T C -0.108 174.566 174.700 -0.042 0.000 0.970 142 T CA -0.275 61.798 62.100 -0.045 0.000 0.980 142 T CB 2.205 71.031 68.868 -0.069 0.000 0.924 142 T HN 0.284 nan 8.240 nan 0.000 0.456 146 Y N 1.643 122.034 120.300 0.151 0.000 2.502 146 Y HA 0.364 4.915 4.550 0.001 0.000 0.295 146 Y C 0.708 176.784 175.900 0.294 0.000 1.193 146 Y CA 0.154 58.426 58.100 0.287 0.000 1.295 146 Y CB 0.549 39.076 38.460 0.110 0.000 1.059 146 Y HN 0.200 nan 8.280 nan 0.000 0.514 147 A N 0.870 123.841 122.820 0.251 0.000 2.492 147 A HA 0.482 4.802 4.320 0.001 0.000 0.254 147 A C 0.855 178.495 177.584 0.093 0.000 1.091 147 A CA 0.537 52.671 52.037 0.161 0.000 0.768 147 A CB -0.293 18.742 19.000 0.058 0.000 1.028 147 A HN 0.383 nan 8.150 nan 0.000 0.498 148 G N -0.286 108.578 108.800 0.106 0.000 2.644 148 G HA2 0.594 4.555 3.960 0.001 0.000 0.307 148 G HA3 0.594 4.555 3.960 0.001 0.000 0.307 148 G C -1.263 173.616 174.900 -0.035 0.000 1.250 148 G CA -0.533 44.543 45.100 -0.039 0.000 0.996 148 G HN 1.113 nan 8.290 nan 0.000 0.489 149 V N 0.423 120.282 119.914 -0.091 0.000 2.808 149 V HA 0.359 4.480 4.120 0.001 0.000 0.308 149 V C -0.186 175.872 176.094 -0.059 0.000 1.099 149 V CA -0.773 61.495 62.300 -0.054 0.000 0.920 149 V CB 1.868 33.655 31.823 -0.060 0.000 1.014 149 V HN 0.687 nan 8.190 nan 0.000 0.425 150 I N 5.872 126.424 120.570 -0.030 0.000 2.821 150 I HA 0.090 4.260 4.170 0.001 0.000 0.294 150 I C 1.473 177.570 176.117 -0.033 0.000 1.210 150 I CA 0.401 61.687 61.300 -0.024 0.000 1.430 150 I CB 0.234 38.230 38.000 -0.007 0.000 1.356 150 I HN 0.624 nan 8.210 nan 0.000 0.563 151 R N 5.500 125.975 120.500 -0.042 0.000 2.123 151 R HA 0.253 4.594 4.340 0.001 0.000 0.209 151 R C -0.039 176.256 176.300 -0.008 0.000 1.078 151 R CA 1.025 57.102 56.100 -0.039 0.000 1.028 151 R CB 0.394 30.651 30.300 -0.072 0.000 0.939 151 R HN 0.568 nan 8.270 nan 0.000 0.463 152 K N -0.212 120.190 120.400 0.002 0.000 2.525 152 K HA 0.154 4.475 4.320 0.001 0.000 0.254 152 K C -1.469 175.164 176.600 0.055 0.000 0.934 152 K CA -0.341 55.968 56.287 0.038 0.000 0.802 152 K CB 2.549 35.089 32.500 0.067 0.000 1.295 152 K HN -0.049 nan 8.250 nan 0.000 0.433 153 T N 0.169 114.762 114.554 0.066 0.000 2.786 153 T HA 0.166 4.517 4.350 0.001 0.000 0.283 153 T C -0.694 174.071 174.700 0.108 0.000 0.992 153 T CA -0.726 61.427 62.100 0.089 0.000 0.954 153 T CB 0.916 69.823 68.868 0.064 0.000 0.934 153 T HN 0.441 nan 8.240 nan 0.000 0.440 154 D N 3.792 124.290 120.400 0.164 0.000 2.429 154 D HA 0.127 4.768 4.640 0.001 0.000 0.253 154 D C 1.147 177.535 176.300 0.146 0.000 1.294 154 D CA 0.243 54.349 54.000 0.177 0.000 1.063 154 D CB 0.504 41.453 40.800 0.248 0.000 1.096 154 D HN 0.644 nan 8.370 nan 0.000 0.516 155 T N 1.530 116.137 114.554 0.087 0.000 3.023 155 T HA 0.014 4.364 4.350 0.001 0.000 0.266 155 T C 1.659 176.391 174.700 0.052 0.000 1.093 155 T CA 1.022 63.149 62.100 0.045 0.000 1.129 155 T CB 0.279 69.169 68.868 0.035 0.000 0.899 155 T HN 0.471 nan 8.240 nan 0.000 0.491 156 A N 1.317 124.186 122.820 0.081 0.000 1.861 156 A HA 0.392 4.712 4.320 0.001 0.000 0.212 156 A C 2.631 180.305 177.584 0.149 0.000 1.199 156 A CA 1.361 53.455 52.037 0.096 0.000 0.613 156 A CB -1.149 17.897 19.000 0.076 0.000 0.846 156 A HN 0.440 nan 8.150 nan 0.000 0.446 157 A N -0.105 122.819 122.820 0.172 0.000 1.927 157 A HA -0.190 4.130 4.320 0.001 0.000 0.220 157 A C 2.205 179.926 177.584 0.229 0.000 1.185 157 A CA 1.823 54.026 52.037 0.278 0.000 0.639 157 A CB -0.690 18.554 19.000 0.406 0.000 0.820 157 A HN 0.489 nan 8.150 nan 0.000 0.451 158 L N -1.615 119.599 121.223 -0.015 0.000 2.023 158 L HA -0.157 4.183 4.340 0.001 0.000 0.205 158 L C 2.933 179.733 176.870 -0.117 0.000 1.073 158 L CA 1.440 56.095 54.840 -0.309 0.000 0.745 158 L CB -0.437 41.423 42.059 -0.332 0.000 0.900 158 L HN 0.363 nan 8.230 nan 0.000 0.435 159 R N -0.779 119.709 120.500 -0.021 0.000 2.096 159 R HA -0.247 4.093 4.340 0.001 0.000 0.240 159 R C 2.273 178.586 176.300 0.022 0.000 1.139 159 R CA 2.007 58.108 56.100 0.003 0.000 0.952 159 R CB -0.688 29.631 30.300 0.033 0.000 0.854 159 R HN 0.200 nan 8.270 nan 0.000 0.436 160 F N 2.154 122.099 119.950 -0.009 0.000 2.087 160 F HA -0.324 4.203 4.527 0.001 0.000 0.299 160 F C 2.392 178.202 175.800 0.017 0.000 1.100 160 F CA 1.751 59.761 58.000 0.017 0.000 1.226 160 F CB -0.122 38.906 39.000 0.046 0.000 0.983 160 F HN -0.023 nan 8.300 nan 0.000 0.479 161 Q N 0.370 120.134 119.800 -0.060 0.000 2.083 161 Q HA -0.091 4.249 4.340 0.001 0.000 0.198 161 Q C 2.559 178.470 176.000 -0.148 0.000 0.969 161 Q CA 1.633 57.374 55.803 -0.103 0.000 0.838 161 Q CB -0.736 28.032 28.738 0.051 0.000 0.900 161 Q HN 0.498 nan 8.270 nan 0.000 0.436 162 L N 0.948 122.101 121.223 -0.117 0.000 2.083 162 L HA -0.216 4.125 4.340 0.001 0.000 0.209 162 L C 1.918 178.724 176.870 -0.107 0.000 1.083 162 L CA 1.060 55.842 54.840 -0.096 0.000 0.752 162 L CB -0.493 41.516 42.059 -0.083 0.000 0.899 162 L HN 0.117 nan 8.230 nan 0.000 0.433 163 D N 0.536 120.853 120.400 -0.138 0.000 2.123 163 D HA -0.187 4.454 4.640 0.001 0.000 0.196 163 D C 2.122 178.323 176.300 -0.165 0.000 0.992 163 D CA 1.632 55.548 54.000 -0.139 0.000 0.833 163 D CB -0.056 40.656 40.800 -0.145 0.000 0.954 163 D HN 0.317 nan 8.370 nan 0.000 0.455 164 A N -0.638 122.032 122.820 -0.251 0.000 2.239 164 A HA 0.330 4.650 4.320 0.001 0.000 0.209 164 A C 1.781 179.297 177.584 -0.113 0.000 1.171 164 A CA 1.391 53.302 52.037 -0.211 0.000 0.768 164 A CB -0.294 18.524 19.000 -0.304 0.000 0.790 164 A HN 0.316 nan 8.150 nan 0.000 0.478 165 G N -0.985 107.762 108.800 -0.089 0.000 2.157 165 G HA2 -0.244 3.717 3.960 0.001 0.000 0.239 165 G HA3 -0.244 3.717 3.960 0.001 0.000 0.239 165 G C -0.085 174.801 174.900 -0.023 0.000 0.982 165 G CA 0.071 45.145 45.100 -0.044 0.000 0.650 165 G HN 0.637 nan 8.290 nan 0.000 0.527 166 N N -0.192 118.489 118.700 -0.031 0.000 2.529 166 N HA 0.540 5.280 4.740 0.001 0.000 0.278 166 N C 0.235 175.762 175.510 0.028 0.000 1.146 166 N CA -0.449 52.607 53.050 0.010 0.000 0.980 166 N CB 1.030 39.529 38.487 0.021 0.000 1.124 166 N HN 0.248 nan 8.380 nan 0.000 0.458 167 I N 1.989 122.599 120.570 0.067 0.000 2.416 167 I HA 0.072 4.242 4.170 0.001 0.000 0.288 167 I C -0.229 175.960 176.117 0.120 0.000 1.051 167 I CA -0.548 60.808 61.300 0.092 0.000 1.375 167 I CB 0.904 38.992 38.000 0.146 0.000 1.407 167 I HN 0.169 nan 8.210 nan 0.000 0.516 168 V N 6.996 126.958 119.914 0.081 0.000 2.406 168 V HA 0.173 4.293 4.120 0.001 0.000 0.272 168 V C -0.046 176.153 176.094 0.175 0.000 1.043 168 V CA -0.410 61.953 62.300 0.105 0.000 0.915 168 V CB 0.890 32.678 31.823 -0.059 0.000 0.988 168 V HN 0.666 nan 8.190 nan 0.000 0.466 172 P HA 0.383 nan 4.420 nan 0.000 0.218 172 P C -0.711 176.522 177.300 -0.112 0.000 1.793 172 P CA 0.061 63.015 63.100 -0.244 0.000 0.941 172 P CB -0.185 31.355 31.700 -0.268 0.000 1.919 173 L N 0.031 121.192 121.223 -0.103 0.000 2.455 173 L HA 0.806 5.147 4.340 0.001 0.000 0.264 173 L C 0.337 177.103 176.870 -0.173 0.000 0.968 173 L CA -0.686 54.086 54.840 -0.114 0.000 0.827 173 L CB 2.628 44.613 42.059 -0.123 0.000 1.317 173 L HN 0.059 nan 8.230 nan 0.000 0.407 174 G N -0.147 108.537 108.800 -0.193 0.000 2.574 174 G HA2 0.670 4.631 3.960 0.001 0.000 0.299 174 G HA3 0.670 4.631 3.960 0.001 0.000 0.299 174 G C -1.428 173.281 174.900 -0.317 0.000 1.298 174 G CA -0.393 44.584 45.100 -0.205 0.000 0.952 174 G HN 0.491 nan 8.290 nan 0.000 0.477 175 H N -0.413 118.694 119.070 0.061 0.000 2.595 175 H HA 0.687 5.244 4.556 0.001 0.000 0.346 175 H C 0.129 175.476 175.328 0.031 0.000 1.181 175 H CA -0.349 55.730 56.048 0.053 0.000 1.242 175 H CB 2.017 31.785 29.762 0.010 0.000 1.652 175 H HN 0.637 nan 8.280 nan 0.000 0.548 176 S N -0.105 115.719 115.700 0.206 0.000 2.664 176 S HA 0.250 4.721 4.470 0.001 0.000 0.304 176 S C 0.287 174.887 174.600 0.000 0.000 1.099 176 S CA -0.865 57.350 58.200 0.025 0.000 1.003 176 S CB 0.670 64.022 63.200 0.254 0.000 1.092 176 S HN 0.625 nan 8.310 nan 0.000 0.525 177 Y N 0.357 120.734 120.300 0.128 0.000 2.688 177 Y HA 0.137 4.688 4.550 0.001 0.000 0.311 177 Y C 2.051 177.998 175.900 0.078 0.000 1.185 177 Y CA -0.071 58.079 58.100 0.084 0.000 1.336 177 Y CB -0.339 38.157 38.460 0.061 0.000 1.015 177 Y HN 0.903 nan 8.280 nan 0.000 0.522 178 G N -0.898 108.019 108.800 0.195 0.000 3.126 178 G HA2 0.306 4.267 3.960 0.001 0.000 0.224 178 G HA3 0.306 4.267 3.960 0.001 0.000 0.224 178 G C 1.261 176.231 174.900 0.116 0.000 1.142 178 G CA 0.174 45.364 45.100 0.150 0.000 0.759 178 G HN 0.434 nan 8.290 nan 0.000 0.550 179 G N 0.050 108.918 108.800 0.113 0.000 2.149 179 G HA2 -0.227 3.733 3.960 0.001 0.000 0.235 179 G HA3 -0.227 3.733 3.960 0.001 0.000 0.235 179 G C 0.204 175.126 174.900 0.037 0.000 1.018 179 G CA 0.143 45.277 45.100 0.057 0.000 0.728 179 G HN 0.382 nan 8.290 nan 0.000 0.508 180 K N 0.411 120.845 120.400 0.056 0.000 2.166 180 K HA 0.758 5.079 4.320 0.001 0.000 0.245 180 K C 0.359 176.856 176.600 -0.171 0.000 0.967 180 K CA -0.318 55.917 56.287 -0.087 0.000 0.863 180 K CB 1.336 33.765 32.500 -0.118 0.000 1.107 180 K HN 0.162 nan 8.250 nan 0.000 0.436 181 T N 1.395 115.736 114.554 -0.355 0.000 2.895 181 T HA 0.699 5.050 4.350 0.001 0.000 0.283 181 T C -0.443 173.787 174.700 -0.783 0.000 1.014 181 T CA -0.492 61.383 62.100 -0.375 0.000 1.037 181 T CB 0.420 69.209 68.868 -0.132 0.000 1.006 181 T HN 0.252 nan 8.240 nan 0.000 0.468 182 F N 1.169 121.123 119.950 0.006 0.000 2.599 182 F HA 0.474 5.002 4.527 0.001 0.000 0.311 182 F C 0.174 175.975 175.800 0.002 0.000 1.076 182 F CA -1.357 56.678 58.000 0.059 0.000 0.937 182 F CB 1.663 40.699 39.000 0.061 0.000 1.282 182 F HN 0.536 nan 8.300 nan 0.000 0.460 183 N N 2.471 121.314 118.700 0.239 0.000 2.426 183 N HA 0.468 5.209 4.740 0.001 0.000 0.257 183 N C -1.491 174.111 175.510 0.154 0.000 1.002 183 N CA -0.302 52.839 53.050 0.152 0.000 0.942 183 N CB 0.624 39.212 38.487 0.168 0.000 1.112 183 N HN 0.584 nan 8.380 nan 0.000 0.499 184 L N 1.297 122.566 121.223 0.078 0.000 2.399 184 L HA 0.361 4.702 4.340 0.001 0.000 0.266 184 L C 0.745 177.632 176.870 0.029 0.000 1.114 184 L CA -0.944 53.923 54.840 0.046 0.000 0.804 184 L CB 0.721 42.774 42.059 -0.011 0.000 1.146 184 L HN 0.669 nan 8.230 nan 0.000 0.451 188 Q N 1.384 121.216 119.800 0.053 0.000 2.354 188 Q HA 0.235 4.575 4.340 0.001 0.000 0.203 188 Q C 1.866 177.890 176.000 0.041 0.000 0.933 188 Q CA 1.300 57.140 55.803 0.060 0.000 0.901 188 Q CB 0.125 28.887 28.738 0.040 0.000 1.007 188 Q HN 0.582 nan 8.270 nan 0.000 0.495 189 A N 1.692 124.521 122.820 0.015 0.000 1.930 189 A HA 0.033 4.354 4.320 0.001 0.000 0.217 189 A C 2.381 179.956 177.584 -0.015 0.000 1.175 189 A CA 1.495 53.527 52.037 -0.010 0.000 0.627 189 A CB -0.755 18.221 19.000 -0.041 0.000 0.815 189 A HN 0.536 nan 8.150 nan 0.000 0.443 190 A N -0.351 122.468 122.820 -0.001 0.000 1.969 190 A HA 0.242 4.563 4.320 0.001 0.000 0.218 190 A C 2.389 179.943 177.584 -0.051 0.000 1.169 190 A CA 1.818 53.826 52.037 -0.050 0.000 0.635 190 A CB -0.716 18.250 19.000 -0.058 0.000 0.810 190 A HN 0.968 nan 8.150 nan 0.000 0.445 191 A N -1.023 121.813 122.820 0.026 0.000 1.975 191 A HA 0.068 4.389 4.320 0.001 0.000 0.215 191 A C 2.380 179.968 177.584 0.006 0.000 1.170 191 A CA 1.694 53.746 52.037 0.024 0.000 0.656 191 A CB -0.675 18.389 19.000 0.107 0.000 0.821 191 A HN 0.546 nan 8.150 nan 0.000 0.449 192 S N -0.158 115.547 115.700 0.008 0.000 2.345 192 S HA -0.135 4.336 4.470 0.001 0.000 0.220 192 S C 1.936 176.530 174.600 -0.010 0.000 1.031 192 S CA 1.728 59.929 58.200 0.001 0.000 0.996 192 S CB -0.601 62.600 63.200 0.003 0.000 0.882 192 S HN 0.300 nan 8.310 nan 0.000 0.445 193 V N 2.735 122.636 119.914 -0.021 0.000 2.282 193 V HA -0.233 3.888 4.120 0.001 0.000 0.249 193 V C 2.972 179.041 176.094 -0.042 0.000 1.057 193 V CA 2.031 64.311 62.300 -0.034 0.000 1.032 193 V CB -1.602 30.190 31.823 -0.051 0.000 0.645 193 V HN 0.654 nan 8.190 nan 0.000 0.447 194 A N -0.572 122.217 122.820 -0.052 0.000 1.940 194 A HA -0.169 4.152 4.320 0.001 0.000 0.219 194 A C 2.403 179.974 177.584 -0.022 0.000 1.176 194 A CA 2.200 54.207 52.037 -0.049 0.000 0.631 194 A CB -0.643 18.315 19.000 -0.070 0.000 0.814 194 A HN 0.356 nan 8.150 nan 0.000 0.446 195 V N -0.227 119.677 119.914 -0.016 0.000 2.323 195 V HA -0.189 3.932 4.120 0.001 0.000 0.244 195 V C 2.794 178.886 176.094 -0.003 0.000 1.041 195 V CA 2.206 64.502 62.300 -0.007 0.000 1.025 195 V CB -0.697 31.125 31.823 -0.003 0.000 0.656 195 V HN 0.590 nan 8.190 nan 0.000 0.451 196 S N 0.325 116.023 115.700 -0.003 0.000 2.365 196 S HA -0.183 4.287 4.470 0.001 0.000 0.225 196 S C 1.856 176.456 174.600 0.000 0.000 1.039 196 S CA 1.616 59.817 58.200 0.002 0.000 1.033 196 S CB -0.414 62.788 63.200 0.003 0.000 0.887 196 S HN 0.464 nan 8.310 nan 0.000 0.447 197 L N 1.067 122.285 121.223 -0.009 0.000 2.376 197 L HA 0.018 4.359 4.340 0.001 0.000 0.219 197 L C 0.405 177.279 176.870 0.007 0.000 1.133 197 L CA 0.365 55.198 54.840 -0.012 0.000 0.816 197 L CB -0.428 41.611 42.059 -0.032 0.000 0.933 197 L HN 0.270 nan 8.230 nan 0.000 0.449 198 Q N -0.476 119.333 119.800 0.015 0.000 2.435 198 Q HA -0.202 4.139 4.340 0.001 0.000 0.312 198 Q C 0.385 176.433 176.000 0.080 0.000 1.333 198 Q CA 0.836 56.666 55.803 0.045 0.000 0.883 198 Q CB -1.786 26.985 28.738 0.054 0.000 1.170 198 Q HN 0.475 nan 8.270 nan 0.000 0.443 199 A N 0.423 123.267 122.820 0.040 0.000 2.546 199 A HA 0.114 4.435 4.320 0.001 0.000 0.243 199 A C 1.235 178.870 177.584 0.086 0.000 1.063 199 A CA 0.450 52.499 52.037 0.021 0.000 0.757 199 A CB 0.358 19.344 19.000 -0.023 0.000 0.991 199 A HN 0.336 nan 8.150 nan 0.000 0.503 200 E N 0.837 121.024 120.200 -0.021 0.000 2.153 200 E HA -0.082 4.268 4.350 0.001 0.000 0.194 200 E C 0.612 177.200 176.600 -0.020 0.000 0.988 200 E CA 1.605 57.917 56.400 -0.145 0.000 0.811 200 E CB 0.065 29.545 29.700 -0.366 0.000 0.746 200 E HN 0.606 nan 8.360 nan 0.000 0.466 201 K N 0.202 120.578 120.400 -0.040 0.000 2.535 201 K HA 0.326 4.647 4.320 0.001 0.000 0.250 201 K C -1.866 174.683 176.600 -0.085 0.000 0.948 201 K CA -0.827 55.428 56.287 -0.054 0.000 0.796 201 K CB 1.206 33.659 32.500 -0.078 0.000 1.216 201 K HN -0.081 nan 8.250 nan 0.000 0.432 202 L N 4.854 126.010 121.223 -0.111 0.000 2.296 202 L HA 0.535 4.876 4.340 0.001 0.000 0.286 202 L C -1.557 175.160 176.870 -0.255 0.000 1.023 202 L CA -0.455 54.256 54.840 -0.215 0.000 0.812 202 L CB 1.734 43.643 42.059 -0.251 0.000 1.223 202 L HN 0.377 nan 8.230 nan 0.000 0.421 203 V N 5.969 125.705 119.914 -0.297 0.000 2.487 203 V HA 0.392 4.512 4.120 0.001 0.000 0.298 203 V C -1.134 174.816 176.094 -0.239 0.000 1.028 203 V CA -0.476 61.704 62.300 -0.200 0.000 0.860 203 V CB 1.522 33.277 31.823 -0.114 0.000 0.991 203 V HN 0.557 nan 8.190 nan 0.000 0.427 204 Y N 5.225 125.511 120.300 -0.022 0.000 2.353 204 Y HA 0.540 5.091 4.550 0.001 0.000 0.340 204 Y C 0.140 176.034 175.900 -0.010 0.000 0.972 204 Y CA -0.721 57.368 58.100 -0.018 0.000 1.157 204 Y CB 1.359 39.811 38.460 -0.012 0.000 1.157 204 Y HN 0.421 nan 8.280 nan 0.000 0.495 205 L N 5.241 126.557 121.223 0.155 0.000 2.255 205 L HA 0.449 4.789 4.340 0.001 0.000 0.289 205 L C 0.433 177.357 176.870 0.090 0.000 1.046 205 L CA -0.396 54.500 54.840 0.094 0.000 0.816 205 L CB 0.581 42.682 42.059 0.070 0.000 1.197 205 L HN 0.696 nan 8.230 nan 0.000 0.427 206 T N -0.464 114.131 114.554 0.067 0.000 2.804 206 T HA 0.486 4.837 4.350 0.001 0.000 0.272 206 T C 0.351 175.066 174.700 0.025 0.000 0.986 206 T CA -0.758 61.368 62.100 0.043 0.000 0.999 206 T CB 1.444 70.329 68.868 0.028 0.000 1.307 206 T HN 0.219 nan 8.240 nan 0.000 0.586 207 L N 1.460 122.685 121.223 0.004 0.000 2.700 207 L HA 0.393 4.733 4.340 0.001 0.000 0.234 207 L C 0.819 177.689 176.870 -0.000 0.000 1.156 207 L CA 0.077 54.914 54.840 -0.004 0.000 0.946 207 L CB -0.214 41.826 42.059 -0.032 0.000 1.216 207 L HN 0.888 nan 8.230 nan 0.000 0.493 208 S N -3.359 112.344 115.700 0.005 0.000 2.568 208 S HA 0.446 4.916 4.470 0.001 0.000 0.293 208 S C -0.519 174.087 174.600 0.009 0.000 1.089 208 S CA -0.932 57.271 58.200 0.005 0.000 0.945 208 S CB 1.810 65.012 63.200 0.003 0.000 1.077 208 S HN 0.000 nan 8.310 nan 0.000 0.485 209 D N 2.222 122.627 120.400 0.007 0.000 2.498 209 D HA 0.414 5.054 4.640 0.001 0.000 0.229 209 D C 1.334 177.639 176.300 0.007 0.000 1.188 209 D CA 1.431 55.435 54.000 0.007 0.000 1.028 209 D CB -0.201 40.602 40.800 0.004 0.000 1.087 209 D HN 1.005 nan 8.370 nan 0.000 0.510 210 G N 2.002 110.808 108.800 0.011 0.000 2.552 210 G HA2 -0.288 3.673 3.960 0.001 0.000 0.265 210 G HA3 -0.288 3.673 3.960 0.001 0.000 0.265 210 G C -0.090 174.817 174.900 0.011 0.000 1.234 210 G CA -0.472 44.635 45.100 0.012 0.000 0.944 210 G HN 0.493 nan 8.290 nan 0.000 0.568 211 I N 0.835 121.411 120.570 0.011 0.000 2.466 211 I HA 0.416 4.586 4.170 0.001 0.000 0.289 211 I C 0.300 176.423 176.117 0.009 0.000 1.026 211 I CA -0.508 60.798 61.300 0.010 0.000 1.078 211 I CB 2.068 40.076 38.000 0.012 0.000 1.249 211 I HN 0.481 nan 8.210 nan 0.000 0.429 212 S N 5.847 121.553 115.700 0.009 0.000 2.584 212 S HA 0.435 4.905 4.470 0.001 0.000 0.273 212 S C 0.183 174.789 174.600 0.011 0.000 1.311 212 S CA -0.684 57.521 58.200 0.008 0.000 1.034 212 S CB 0.798 64.003 63.200 0.008 0.000 0.939 212 S HN 0.467 nan 8.310 nan 0.000 0.513 213 R N 1.868 122.373 120.500 0.008 0.000 2.583 213 R HA 0.203 4.544 4.340 0.001 0.000 0.268 213 R C -1.657 174.646 176.300 0.006 0.000 1.101 213 R CA -1.763 54.342 56.100 0.008 0.000 1.180 213 R CB -0.569 29.733 30.300 0.005 0.000 1.128 213 R HN 0.341 nan 8.270 nan 0.000 0.568 214 P HA -0.197 nan 4.420 nan 0.000 0.217 214 P C 0.076 177.369 177.300 -0.011 0.000 1.158 214 P CA 1.530 64.623 63.100 -0.010 0.000 0.887 214 P CB 0.142 31.824 31.700 -0.030 0.000 0.792 215 D N -1.927 118.467 120.400 -0.009 0.000 3.168 215 D HA 0.277 4.917 4.640 0.001 0.000 0.255 215 D C 1.291 177.589 176.300 -0.002 0.000 1.314 215 D CA 0.302 54.298 54.000 -0.007 0.000 0.900 215 D CB -0.850 39.944 40.800 -0.009 0.000 1.072 215 D HN 0.109 nan 8.370 nan 0.000 0.487 216 G N 1.040 109.841 108.800 0.000 0.000 2.189 216 G HA2 -0.307 3.653 3.960 0.001 0.000 0.267 216 G HA3 -0.307 3.653 3.960 0.001 0.000 0.267 216 G C 0.785 175.686 174.900 0.002 0.000 0.975 216 G CA 0.843 45.944 45.100 0.002 0.000 0.644 216 G HN 0.542 nan 8.290 nan 0.000 0.537 217 T N -0.048 114.507 114.554 0.001 0.000 2.870 217 T HA 0.474 4.825 4.350 0.001 0.000 0.300 217 T C 0.742 175.444 174.700 0.002 0.000 0.989 217 T CA -0.210 61.891 62.100 0.001 0.000 1.139 217 T CB 1.056 69.924 68.868 0.000 0.000 0.920 217 T HN 0.929 nan 8.240 nan 0.000 0.537 218 L N 4.801 126.025 121.223 0.002 0.000 2.477 218 L HA 0.425 4.765 4.340 0.001 0.000 0.272 218 L C 0.877 177.748 176.870 0.002 0.000 1.157 218 L CA -0.652 54.190 54.840 0.002 0.000 0.889 218 L CB -0.022 42.038 42.059 0.000 0.000 1.158 218 L HN 0.967 nan 8.230 nan 0.000 0.473 219 A N 4.244 127.067 122.820 0.005 0.000 2.993 219 A HA 0.009 4.330 4.320 0.001 0.000 0.281 219 A C 1.245 178.831 177.584 0.004 0.000 1.847 219 A CA 0.077 52.118 52.037 0.006 0.000 1.470 219 A CB -0.306 18.700 19.000 0.010 0.000 1.028 219 A HN 1.011 nan 8.150 nan 0.000 0.604 220 E N 1.197 121.397 120.200 -0.001 0.000 2.196 220 E HA -0.214 4.137 4.350 0.001 0.000 0.222 220 E C 0.763 177.361 176.600 -0.004 0.000 1.072 220 E CA 2.316 58.713 56.400 -0.006 0.000 0.902 220 E CB 0.016 29.711 29.700 -0.009 0.000 0.780 220 E HN 0.573 nan 8.360 nan 0.000 0.467 221 T N -1.013 113.542 114.554 0.002 0.000 3.071 221 T HA 0.565 4.915 4.350 0.001 0.000 0.311 221 T C -1.541 173.166 174.700 0.012 0.000 1.042 221 T CA -0.734 61.370 62.100 0.005 0.000 1.028 221 T CB 0.314 69.184 68.868 0.003 0.000 1.068 221 T HN 0.102 nan 8.240 nan 0.000 0.451 222 L N 3.565 124.798 121.223 0.016 0.000 2.401 222 L HA 0.622 4.962 4.340 0.001 0.000 0.266 222 L C 0.663 177.548 176.870 0.025 0.000 0.991 222 L CA -1.093 53.760 54.840 0.021 0.000 0.818 222 L CB 2.517 44.590 42.059 0.023 0.000 1.321 222 L HN 0.768 nan 8.230 nan 0.000 0.413 223 S N 0.842 116.558 115.700 0.028 0.000 2.608 223 S HA 0.328 4.799 4.470 0.001 0.000 0.261 223 S C 1.118 175.737 174.600 0.033 0.000 1.314 223 S CA -0.032 58.187 58.200 0.032 0.000 0.992 223 S CB 1.418 64.639 63.200 0.036 0.000 0.935 223 S HN 0.727 nan 8.310 nan 0.000 0.564 224 A N 0.108 122.949 122.820 0.035 0.000 2.015 224 A HA -0.103 4.218 4.320 0.001 0.000 0.219 224 A C 2.287 179.892 177.584 0.036 0.000 1.163 224 A CA 1.589 53.648 52.037 0.036 0.000 0.646 224 A CB -1.024 17.998 19.000 0.037 0.000 0.806 224 A HN 0.934 nan 8.150 nan 0.000 0.448 225 Q N -0.123 119.700 119.800 0.038 0.000 2.020 225 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 225 Q C 1.865 177.885 176.000 0.034 0.000 0.982 225 Q CA 2.008 57.834 55.803 0.038 0.000 0.838 225 Q CB -0.173 28.590 28.738 0.041 0.000 0.899 225 Q HN 0.782 nan 8.270 nan 0.000 0.423 226 E N 0.032 120.252 120.200 0.033 0.000 2.153 226 E HA -0.195 4.156 4.350 0.001 0.000 0.194 226 E C 1.835 178.453 176.600 0.030 0.000 0.988 226 E CA 0.817 57.235 56.400 0.030 0.000 0.811 226 E CB -0.149 29.568 29.700 0.027 0.000 0.746 226 E HN 0.458 nan 8.360 nan 0.000 0.466 227 A N 1.225 124.062 122.820 0.030 0.000 1.855 227 A HA -0.272 4.049 4.320 0.001 0.000 0.215 227 A C 2.192 179.793 177.584 0.028 0.000 1.191 227 A CA 1.562 53.616 52.037 0.028 0.000 0.613 227 A CB -0.542 18.476 19.000 0.030 0.000 0.829 227 A HN 0.098 nan 8.150 nan 0.000 0.442 228 Q N 0.740 120.557 119.800 0.028 0.000 2.082 228 Q HA -0.210 4.131 4.340 0.001 0.000 0.211 228 Q C 2.289 178.307 176.000 0.029 0.000 1.002 228 Q CA 2.814 58.633 55.803 0.026 0.000 0.868 228 Q CB -0.554 28.200 28.738 0.027 0.000 0.931 228 Q HN 0.781 nan 8.270 nan 0.000 0.414 229 S N -1.327 114.394 115.700 0.035 0.000 2.522 229 S HA 0.031 4.501 4.470 0.001 0.000 0.227 229 S C 1.786 176.421 174.600 0.059 0.000 0.986 229 S CA 0.293 58.520 58.200 0.045 0.000 0.929 229 S CB -0.186 63.040 63.200 0.043 0.000 0.769 229 S HN 0.396 nan 8.310 nan 0.000 0.529 230 L N 0.710 121.962 121.223 0.048 0.000 2.156 230 L HA 0.112 4.452 4.340 0.001 0.000 0.208 230 L C 2.997 179.902 176.870 0.059 0.000 1.095 230 L CA 1.033 55.906 54.840 0.055 0.000 0.770 230 L CB -0.642 41.439 42.059 0.037 0.000 0.914 230 L HN 0.493 nan 8.230 nan 0.000 0.439 231 A N 0.089 122.931 122.820 0.036 0.000 2.066 231 A HA -0.155 4.165 4.320 0.001 0.000 0.218 231 A C 2.008 179.588 177.584 -0.006 0.000 1.157 231 A CA 0.933 52.979 52.037 0.014 0.000 0.670 231 A CB -0.278 18.724 19.000 0.003 0.000 0.804 231 A HN 0.473 nan 8.150 nan 0.000 0.453 232 E N -0.625 119.577 120.200 0.003 0.000 2.130 232 E HA -0.223 4.127 4.350 0.001 0.000 0.196 232 E C 0.548 176.980 176.600 -0.280 0.000 0.998 232 E CA 1.565 57.910 56.400 -0.093 0.000 0.806 232 E CB -0.269 29.427 29.700 -0.008 0.000 0.738 232 E HN 0.857 nan 8.360 nan 0.000 0.459 233 H N -0.883 118.186 119.070 -0.001 0.000 2.475 233 H HA 0.469 5.027 4.556 0.002 0.000 0.276 233 H C -0.613 174.713 175.328 -0.003 0.000 1.126 233 H CA -0.065 55.982 56.048 -0.002 0.000 1.023 233 H CB 0.844 30.605 29.762 -0.001 0.000 1.669 233 H HN 0.107 nan 8.280 nan 0.000 0.573 234 A N 0.671 123.516 122.820 0.041 0.000 2.320 234 A HA 0.796 5.117 4.320 0.001 0.000 0.334 234 A C 0.400 177.986 177.584 0.002 0.000 1.147 234 A CA -0.341 51.712 52.037 0.027 0.000 0.820 234 A CB 0.479 19.490 19.000 0.019 0.000 1.218 234 A HN 0.422 nan 8.150 nan 0.000 0.482 235 A N 0.606 123.427 122.820 0.002 0.000 2.492 235 A HA 0.389 4.710 4.320 0.001 0.000 0.236 235 A C 1.573 179.146 177.584 -0.018 0.000 1.078 235 A CA 0.475 52.506 52.037 -0.009 0.000 0.773 235 A CB -0.249 18.747 19.000 -0.006 0.000 1.023 235 A HN 1.886 nan 8.150 nan 0.000 0.504 236 S N -0.064 115.620 115.700 -0.026 0.000 2.387 236 S HA -0.171 4.299 4.470 0.001 0.000 0.226 236 S C 1.637 176.218 174.600 -0.031 0.000 1.026 236 S CA 1.319 59.500 58.200 -0.031 0.000 0.972 236 S CB -0.463 62.714 63.200 -0.038 0.000 0.814 236 S HN 0.855 nan 8.310 nan 0.000 0.477 237 E N 1.392 121.573 120.200 -0.032 0.000 2.023 237 E HA -0.209 4.141 4.350 0.001 0.000 0.196 237 E C 2.177 178.753 176.600 -0.040 0.000 1.003 237 E CA 1.828 58.211 56.400 -0.029 0.000 0.809 237 E CB -0.550 29.142 29.700 -0.013 0.000 0.755 237 E HN 0.652 nan 8.360 nan 0.000 0.449 238 T N -0.632 113.903 114.554 -0.032 0.000 2.929 238 T HA -0.171 4.179 4.350 0.001 0.000 0.271 238 T C 1.844 176.524 174.700 -0.033 0.000 1.085 238 T CA 1.451 63.530 62.100 -0.035 0.000 1.125 238 T CB -0.260 68.598 68.868 -0.017 0.000 0.874 238 T HN 0.087 nan 8.240 nan 0.000 0.494 239 R N 0.371 120.854 120.500 -0.028 0.000 2.119 239 R HA 0.245 4.585 4.340 0.001 0.000 0.222 239 R C 2.548 178.829 176.300 -0.030 0.000 1.088 239 R CA 1.179 57.264 56.100 -0.024 0.000 0.984 239 R CB -0.419 29.867 30.300 -0.023 0.000 0.884 239 R HN 0.374 nan 8.270 nan 0.000 0.447 240 R N -0.179 120.298 120.500 -0.039 0.000 2.073 240 R HA 0.057 4.398 4.340 0.001 0.000 0.229 240 R C 2.205 178.451 176.300 -0.090 0.000 1.120 240 R CA 1.285 57.358 56.100 -0.045 0.000 0.967 240 R CB -0.402 29.880 30.300 -0.031 0.000 0.862 240 R HN 0.212 nan 8.270 nan 0.000 0.436 241 L N 0.637 121.778 121.223 -0.138 0.000 1.997 241 L HA -0.283 4.058 4.340 0.001 0.000 0.216 241 L C 2.289 179.095 176.870 -0.107 0.000 1.074 241 L CA 1.755 56.461 54.840 -0.224 0.000 0.763 241 L CB -0.352 41.583 42.059 -0.207 0.000 0.890 241 L HN 0.275 nan 8.230 nan 0.000 0.434 242 I N -1.238 119.303 120.570 -0.048 0.000 2.315 242 I HA -0.283 3.887 4.170 0.001 0.000 0.248 242 I C 2.798 178.921 176.117 0.011 0.000 1.117 242 I CA 1.278 62.576 61.300 -0.004 0.000 1.404 242 I CB -0.208 37.792 38.000 0.000 0.000 1.071 242 I HN 0.294 nan 8.210 nan 0.000 0.419 243 S N 0.111 115.810 115.700 -0.001 0.000 2.355 243 S HA -0.173 4.298 4.470 0.001 0.000 0.222 243 S C 2.243 176.858 174.600 0.025 0.000 1.031 243 S CA 1.972 60.178 58.200 0.009 0.000 0.993 243 S CB -0.243 62.957 63.200 0.000 0.000 0.859 243 S HN 0.367 nan 8.310 nan 0.000 0.453 244 S N 1.609 117.323 115.700 0.024 0.000 2.368 244 S HA 0.031 4.502 4.470 0.001 0.000 0.225 244 S C 2.272 176.946 174.600 0.123 0.000 1.030 244 S CA 1.162 59.405 58.200 0.072 0.000 0.999 244 S CB -0.837 62.413 63.200 0.083 0.000 0.844 244 S HN 0.763 nan 8.310 nan 0.000 0.459 245 A N 0.757 123.663 122.820 0.144 0.000 1.972 245 A HA -0.044 4.276 4.320 0.001 0.000 0.219 245 A C 2.290 179.925 177.584 0.085 0.000 1.169 245 A CA 1.342 53.475 52.037 0.160 0.000 0.635 245 A CB -0.706 18.392 19.000 0.163 0.000 0.810 245 A HN 0.358 nan 8.150 nan 0.000 0.446 246 V N -0.524 119.427 119.914 0.061 0.000 2.379 246 V HA -0.165 3.955 4.120 0.001 0.000 0.245 246 V C 3.008 179.125 176.094 0.038 0.000 1.044 246 V CA 1.761 64.087 62.300 0.044 0.000 1.036 246 V CB -0.891 30.953 31.823 0.035 0.000 0.664 246 V HN 0.600 nan 8.190 nan 0.000 0.453 247 A N -0.221 122.622 122.820 0.040 0.000 1.969 247 A HA -0.036 4.284 4.320 0.001 0.000 0.218 247 A C 2.379 179.980 177.584 0.029 0.000 1.169 247 A CA 1.819 53.876 52.037 0.032 0.000 0.635 247 A CB -0.597 18.422 19.000 0.031 0.000 0.810 247 A HN 0.540 nan 8.150 nan 0.000 0.445 248 A N 0.257 123.100 122.820 0.038 0.000 1.845 248 A HA -0.057 4.263 4.320 0.001 0.000 0.215 248 A C 2.138 179.726 177.584 0.007 0.000 1.195 248 A CA 1.512 53.563 52.037 0.023 0.000 0.616 248 A CB -0.789 18.229 19.000 0.030 0.000 0.832 248 A HN 0.471 nan 8.150 nan 0.000 0.443 249 L N -0.606 120.624 121.223 0.013 0.000 1.978 249 L HA -0.299 4.042 4.340 0.001 0.000 0.218 249 L C 2.606 179.470 176.870 -0.011 0.000 1.075 249 L CA 2.149 56.987 54.840 -0.003 0.000 0.767 249 L CB -0.955 41.111 42.059 0.012 0.000 0.890 249 L HN 0.463 nan 8.230 nan 0.000 0.434 250 E N -0.022 120.183 120.200 0.009 0.000 2.130 250 E HA -0.215 4.135 4.350 0.001 0.000 0.196 250 E C 2.037 178.639 176.600 0.004 0.000 0.998 250 E CA 1.163 57.572 56.400 0.016 0.000 0.806 250 E CB -0.340 29.376 29.700 0.026 0.000 0.738 250 E HN 0.615 nan 8.360 nan 0.000 0.459 251 G N -1.163 107.635 108.800 -0.003 0.000 2.985 251 G HA2 0.179 4.140 3.960 0.001 0.000 0.209 251 G HA3 0.179 4.140 3.960 0.001 0.000 0.209 251 G C 0.918 175.801 174.900 -0.030 0.000 1.165 251 G CA 0.387 45.483 45.100 -0.007 0.000 0.776 251 G HN 0.427 nan 8.290 nan 0.000 0.541 252 G N -1.389 107.376 108.800 -0.060 0.000 2.296 252 G HA2 -0.195 3.765 3.960 0.001 0.000 0.188 252 G HA3 -0.195 3.765 3.960 0.001 0.000 0.188 252 G C 0.217 174.995 174.900 -0.205 0.000 1.000 252 G CA -0.039 44.985 45.100 -0.127 0.000 0.672 252 G HN 0.484 nan 8.290 nan 0.000 0.483 253 V N 2.434 122.293 119.914 -0.092 0.000 2.715 253 V HA 0.271 4.392 4.120 0.001 0.000 0.299 253 V C 1.592 177.668 176.094 -0.029 0.000 1.054 253 V CA 0.169 62.464 62.300 -0.008 0.000 1.077 253 V CB 1.142 32.973 31.823 0.013 0.000 0.972 253 V HN 0.404 nan 8.190 nan 0.000 0.484 254 H N 3.385 122.440 119.070 -0.025 0.000 2.486 254 H HA 0.232 4.789 4.556 0.001 0.000 0.287 254 H C 0.887 176.204 175.328 -0.019 0.000 1.010 254 H CA 0.257 56.293 56.048 -0.021 0.000 1.324 254 H CB 0.770 30.517 29.762 -0.024 0.000 1.446 254 H HN 0.367 nan 8.280 nan 0.000 0.537 255 R N 1.249 121.815 120.500 0.110 0.000 2.508 255 R HA 0.238 4.579 4.340 0.001 0.000 0.283 255 R C -1.594 174.711 176.300 0.008 0.000 1.120 255 R CA -0.458 55.668 56.100 0.044 0.000 0.958 255 R CB 1.824 32.140 30.300 0.028 0.000 1.215 255 R HN 0.031 nan 8.270 nan 0.000 0.427 256 V N 1.633 121.553 119.914 0.010 0.000 2.483 256 V HA 0.667 4.788 4.120 0.001 0.000 0.295 256 V C -0.944 175.157 176.094 0.013 0.000 1.035 256 V CA -0.397 61.902 62.300 -0.002 0.000 0.896 256 V CB 1.885 33.729 31.823 0.035 0.000 0.986 256 V HN 0.720 nan 8.190 nan 0.000 0.447 257 Q N 4.950 124.748 119.800 -0.004 0.000 2.353 257 Q HA 0.598 4.939 4.340 0.001 0.000 0.268 257 Q C -1.449 174.591 176.000 0.066 0.000 1.045 257 Q CA -0.862 54.948 55.803 0.012 0.000 0.811 257 Q CB 2.816 31.535 28.738 -0.033 0.000 1.305 257 Q HN 0.732 nan 8.270 nan 0.000 0.447 258 I N 3.714 124.328 120.570 0.073 0.000 2.362 258 I HA 0.490 4.660 4.170 0.001 0.000 0.289 258 I C -0.131 176.015 176.117 0.048 0.000 0.994 258 I CA -0.430 60.926 61.300 0.093 0.000 1.158 258 I CB 0.544 38.592 38.000 0.080 0.000 1.315 258 I HN 0.497 nan 8.210 nan 0.000 0.451 259 L N 4.307 125.561 121.223 0.050 0.000 2.277 259 L HA 0.575 4.916 4.340 0.001 0.000 0.254 259 L C 0.046 176.936 176.870 0.032 0.000 1.044 259 L CA -0.985 53.871 54.840 0.027 0.000 0.842 259 L CB 1.806 43.876 42.059 0.017 0.000 1.422 259 L HN 0.397 nan 8.230 nan 0.000 0.422 260 N N 0.418 119.132 118.700 0.022 0.000 2.500 260 N HA 0.196 4.937 4.740 0.001 0.000 0.236 260 N C 0.662 176.190 175.510 0.029 0.000 1.022 260 N CA -0.072 52.992 53.050 0.023 0.000 0.935 260 N CB 1.690 40.186 38.487 0.015 0.000 1.147 260 N HN 0.783 nan 8.380 nan 0.000 0.512 261 G N 2.122 110.945 108.800 0.039 0.000 2.509 261 G HA2 -0.126 3.835 3.960 0.001 0.000 0.218 261 G HA3 -0.126 3.835 3.960 0.001 0.000 0.218 261 G C 1.109 176.038 174.900 0.048 0.000 1.124 261 G CA 0.723 45.852 45.100 0.049 0.000 0.776 261 G HN 0.630 nan 8.290 nan 0.000 0.547 262 A N -0.154 122.688 122.820 0.037 0.000 2.169 262 A HA 0.675 4.995 4.320 0.001 0.000 0.212 262 A C 1.487 179.087 177.584 0.026 0.000 1.153 262 A CA 0.881 52.937 52.037 0.032 0.000 0.756 262 A CB -0.030 18.985 19.000 0.024 0.000 0.813 262 A HN 0.622 nan 8.150 nan 0.000 0.471 263 A N 0.646 123.480 122.820 0.023 0.000 2.260 263 A HA 0.476 4.796 4.320 0.001 0.000 0.308 263 A C -0.549 177.047 177.584 0.019 0.000 1.254 263 A CA -0.454 51.593 52.037 0.018 0.000 0.874 263 A CB 0.057 19.065 19.000 0.012 0.000 1.153 263 A HN 0.246 nan 8.150 nan 0.000 0.527 264 D N 2.362 122.772 120.400 0.017 0.000 2.389 264 D HA 0.358 4.999 4.640 0.001 0.000 0.263 264 D C 1.365 177.674 176.300 0.016 0.000 1.255 264 D CA 1.883 55.894 54.000 0.018 0.000 0.914 264 D CB 0.043 40.851 40.800 0.014 0.000 1.116 264 D HN 1.187 nan 8.370 nan 0.000 0.502 265 G N 2.887 111.702 108.800 0.024 0.000 2.176 265 G HA2 -0.353 3.607 3.960 0.001 0.000 0.253 265 G HA3 -0.353 3.607 3.960 0.001 0.000 0.253 265 G C 1.320 176.236 174.900 0.027 0.000 0.979 265 G CA 1.049 46.166 45.100 0.027 0.000 0.641 265 G HN 0.867 nan 8.290 nan 0.000 0.530 266 S N 0.131 115.844 115.700 0.021 0.000 2.365 266 S HA -0.087 4.384 4.470 0.001 0.000 0.225 266 S C 2.277 176.881 174.600 0.006 0.000 1.039 266 S CA 1.565 59.771 58.200 0.010 0.000 1.033 266 S CB -0.441 62.765 63.200 0.010 0.000 0.887 266 S HN 0.704 nan 8.310 nan 0.000 0.447 267 L N -0.167 121.070 121.223 0.023 0.000 2.129 267 L HA -0.124 4.217 4.340 0.001 0.000 0.212 267 L C 2.392 179.275 176.870 0.022 0.000 1.087 267 L CA 1.162 56.012 54.840 0.017 0.000 0.757 267 L CB -0.329 41.762 42.059 0.053 0.000 0.896 267 L HN 0.336 nan 8.230 nan 0.000 0.434 268 L N -1.206 120.068 121.223 0.085 0.000 2.127 268 L HA -0.129 4.212 4.340 0.001 0.000 0.203 268 L C 2.466 179.417 176.870 0.136 0.000 1.080 268 L CA 1.472 56.438 54.840 0.209 0.000 0.768 268 L CB -0.931 41.236 42.059 0.180 0.000 0.924 268 L HN 0.251 nan 8.230 nan 0.000 0.444 269 Q N -0.760 119.060 119.800 0.034 0.000 2.119 269 Q HA -0.186 4.155 4.340 0.001 0.000 0.201 269 Q C 1.933 177.875 176.000 -0.096 0.000 0.972 269 Q CA 0.858 56.646 55.803 -0.025 0.000 0.847 269 Q CB 0.115 28.835 28.738 -0.030 0.000 0.903 269 Q HN 0.415 nan 8.270 nan 0.000 0.433 270 E N 0.913 121.050 120.200 -0.105 0.000 2.019 270 E HA -0.202 4.149 4.350 0.001 0.000 0.208 270 E C 2.091 178.509 176.600 -0.304 0.000 1.030 270 E CA 1.279 57.579 56.400 -0.167 0.000 0.856 270 E CB -0.431 29.189 29.700 -0.133 0.000 0.781 270 E HN 0.320 nan 8.360 nan 0.000 0.471 271 L N -0.912 120.052 121.223 -0.431 0.000 2.131 271 L HA -0.135 4.205 4.340 0.001 0.000 0.210 271 L C 1.669 177.964 176.870 -0.958 0.000 1.092 271 L CA 0.867 55.217 54.840 -0.817 0.000 0.759 271 L CB -0.198 41.079 42.059 -1.303 0.000 0.903 271 L HN 0.052 nan 8.230 nan 0.000 0.435 272 F N -1.327 118.483 119.950 -0.233 0.000 2.724 272 F HA 0.167 4.695 4.527 0.001 0.000 0.310 272 F C 0.901 176.502 175.800 -0.331 0.000 1.107 272 F CA -0.616 57.263 58.000 -0.202 0.000 1.218 272 F CB 0.141 39.137 39.000 -0.006 0.000 1.042 272 F HN -0.119 nan 8.300 nan 0.000 0.540 273 T N -3.266 111.035 114.554 -0.422 0.000 2.908 273 T HA 0.326 4.676 4.350 0.001 0.000 0.290 273 T C 1.115 175.493 174.700 -0.537 0.000 1.034 273 T CA -0.803 61.094 62.100 -0.337 0.000 1.010 273 T CB 2.399 71.195 68.868 -0.120 0.000 1.068 273 T HN 0.207 nan 8.240 nan 0.000 0.481 274 R N 2.419 122.802 120.500 -0.195 0.000 2.091 274 R HA -0.152 4.189 4.340 0.001 0.000 0.238 274 R C 1.219 177.468 176.300 -0.085 0.000 1.136 274 R CA 2.017 58.101 56.100 -0.026 0.000 0.959 274 R CB -0.581 29.784 30.300 0.107 0.000 0.856 274 R HN 0.806 nan 8.270 nan 0.000 0.437 275 N N -0.959 117.694 118.700 -0.079 0.000 2.122 275 N HA 0.214 4.954 4.740 0.001 0.000 0.187 275 N C 0.447 175.898 175.510 -0.097 0.000 1.065 275 N CA 0.774 53.786 53.050 -0.065 0.000 0.960 275 N CB -0.049 38.416 38.487 -0.036 0.000 1.115 275 N HN 0.417 nan 8.380 nan 0.000 0.482 276 G N -0.799 107.948 108.800 -0.089 0.000 2.331 276 G HA2 0.103 4.063 3.960 0.001 0.000 0.402 276 G HA3 0.103 4.063 3.960 0.001 0.000 0.402 276 G C -0.814 174.052 174.900 -0.056 0.000 1.275 276 G CA -0.141 44.904 45.100 -0.092 0.000 1.003 276 G HN 0.389 nan 8.290 nan 0.000 0.500 277 I N -2.529 118.013 120.570 -0.047 0.000 5.080 277 I HA 0.543 4.713 4.170 0.001 0.000 0.356 277 I C 1.223 177.329 176.117 -0.018 0.000 1.231 277 I CA 0.863 62.146 61.300 -0.027 0.000 1.458 277 I CB -0.123 37.863 38.000 -0.022 0.000 1.672 277 I HN 1.288 nan 8.210 nan 0.000 0.568 278 G N 0.678 109.466 108.800 -0.020 0.000 3.356 278 G HA2 0.669 4.629 3.960 0.001 0.000 0.178 278 G HA3 0.669 4.629 3.960 0.001 0.000 0.178 278 G C -0.928 173.968 174.900 -0.007 0.000 1.175 278 G CA -0.084 45.011 45.100 -0.007 0.000 0.840 278 G HN 0.055 nan 8.290 nan 0.000 0.658 279 T N 0.067 114.622 114.554 0.002 0.000 2.861 279 T HA 0.591 4.942 4.350 0.001 0.000 0.287 279 T C -0.775 173.930 174.700 0.008 0.000 1.003 279 T CA -0.293 61.810 62.100 0.007 0.000 0.977 279 T CB 1.540 70.418 68.868 0.016 0.000 0.996 279 T HN 0.696 nan 8.240 nan 0.000 0.448 280 S N 3.216 118.919 115.700 0.004 0.000 2.532 280 S HA 0.776 5.247 4.470 0.001 0.000 0.299 280 S C -0.974 173.634 174.600 0.014 0.000 1.105 280 S CA -0.765 57.437 58.200 0.003 0.000 1.018 280 S CB 0.308 63.500 63.200 -0.014 0.000 1.021 280 S HN 0.600 nan 8.310 nan 0.000 0.483 281 I N 3.197 123.780 120.570 0.023 0.000 2.509 281 I HA 0.816 4.987 4.170 0.001 0.000 0.293 281 I C -0.043 176.091 176.117 0.028 0.000 1.020 281 I CA -0.972 60.345 61.300 0.029 0.000 1.088 281 I CB 1.952 39.976 38.000 0.040 0.000 1.267 281 I HN 0.841 nan 8.210 nan 0.000 0.430 282 A N 5.021 127.858 122.820 0.028 0.000 2.587 282 A HA 0.682 5.003 4.320 0.001 0.000 0.293 282 A C -1.277 176.322 177.584 0.026 0.000 1.087 282 A CA -0.746 51.307 52.037 0.027 0.000 0.692 282 A CB 2.274 21.290 19.000 0.027 0.000 1.291 282 A HN 0.672 nan 8.150 nan 0.000 0.407 283 K N 2.222 122.634 120.400 0.020 0.000 2.464 283 K HA 0.201 4.522 4.320 0.001 0.000 0.252 283 K C -0.266 176.343 176.600 0.015 0.000 1.000 283 K CA -0.405 55.895 56.287 0.022 0.000 0.951 283 K CB 0.688 33.198 32.500 0.018 0.000 1.183 283 K HN 0.895 nan 8.250 nan 0.000 0.445 284 E N 2.735 122.950 120.200 0.025 0.000 3.580 284 E HA -0.202 4.149 4.350 0.001 0.000 0.260 284 E C -0.618 175.991 176.600 0.015 0.000 0.828 284 E CA 0.415 56.832 56.400 0.028 0.000 0.984 284 E CB -0.373 29.357 29.700 0.050 0.000 0.826 284 E HN 0.512 nan 8.360 nan 0.000 0.555 285 A N 4.447 127.243 122.820 -0.040 0.000 2.448 285 A HA 0.352 4.672 4.320 0.001 0.000 0.239 285 A C 0.242 177.771 177.584 -0.093 0.000 1.080 285 A CA -0.283 51.667 52.037 -0.144 0.000 0.779 285 A CB -0.056 18.768 19.000 -0.293 0.000 1.026 285 A HN 0.577 nan 8.150 nan 0.000 0.499 286 F N -0.034 119.966 119.950 0.084 0.000 2.538 286 F HA 0.513 5.041 4.527 0.000 0.000 0.371 286 F C -0.205 175.652 175.800 0.095 0.000 1.087 286 F CA -0.949 57.101 58.000 0.084 0.000 1.250 286 F CB 0.100 39.152 39.000 0.087 0.000 1.110 286 F HN 0.085 nan 8.300 nan 0.000 0.570 287 V N 3.174 123.225 119.914 0.228 0.000 2.675 287 V HA 0.090 4.211 4.120 0.001 0.000 0.266 287 V C -0.012 176.128 176.094 0.078 0.000 0.974 287 V CA -0.845 61.529 62.300 0.123 0.000 0.890 287 V CB 1.063 32.887 31.823 0.002 0.000 1.055 287 V HN 1.004 nan 8.190 nan 0.000 0.477 288 S N 5.619 121.377 115.700 0.097 0.000 3.205 288 S HA 0.141 4.612 4.470 0.001 0.000 0.381 288 S C -0.032 174.554 174.600 -0.024 0.000 1.122 288 S CA 0.361 58.585 58.200 0.040 0.000 1.485 288 S CB -0.658 62.569 63.200 0.045 0.000 1.058 288 S HN 0.487 nan 8.310 nan 0.000 0.570 289 I N 6.574 127.105 120.570 -0.064 0.000 2.362 289 I HA 0.521 4.691 4.170 0.001 0.000 0.289 289 I C 0.214 176.249 176.117 -0.138 0.000 0.994 289 I CA -0.765 60.421 61.300 -0.191 0.000 1.158 289 I CB 1.415 39.153 38.000 -0.436 0.000 1.315 289 I HN 0.581 nan 8.210 nan 0.000 0.451 290 R N 3.960 124.407 120.500 -0.088 0.000 2.836 290 R HA 0.430 4.771 4.340 0.001 0.000 0.269 290 R C -0.875 175.466 176.300 0.068 0.000 1.010 290 R CA -1.090 55.024 56.100 0.022 0.000 0.930 290 R CB 0.844 31.178 30.300 0.057 0.000 1.218 290 R HN 0.326 nan 8.270 nan 0.000 0.473 291 Q N 1.039 120.918 119.800 0.132 0.000 2.339 291 Q HA -0.003 4.338 4.340 0.001 0.000 0.308 291 Q C -0.178 175.900 176.000 0.130 0.000 1.097 291 Q CA 0.684 56.575 55.803 0.147 0.000 1.007 291 Q CB 0.569 29.390 28.738 0.139 0.000 1.051 291 Q HN 0.684 nan 8.270 nan 0.000 0.381 292 A N 4.834 127.720 122.820 0.111 0.000 2.567 292 A HA 0.078 4.398 4.320 0.001 0.000 0.240 292 A C -0.044 177.580 177.584 0.066 0.000 1.053 292 A CA 0.268 52.321 52.037 0.026 0.000 0.755 292 A CB -0.128 18.892 19.000 0.034 0.000 0.978 292 A HN 0.841 nan 8.150 nan 0.000 0.507 293 H N -0.381 118.697 119.070 0.014 0.000 2.748 293 H HA 0.644 5.200 4.556 0.001 0.000 0.315 293 H C 1.128 176.443 175.328 -0.023 0.000 1.429 293 H CA -0.207 55.842 56.048 0.002 0.000 1.444 293 H CB 0.653 30.413 29.762 -0.005 0.000 1.827 293 H HN 0.460 nan 8.280 nan 0.000 0.754 294 S N -1.309 114.433 115.700 0.070 0.000 2.561 294 S HA 0.022 4.492 4.470 0.001 0.000 0.225 294 S C 1.920 176.484 174.600 -0.059 0.000 0.977 294 S CA 0.161 58.353 58.200 -0.015 0.000 0.926 294 S CB -0.765 62.454 63.200 0.031 0.000 0.769 294 S HN 0.815 nan 8.310 nan 0.000 0.533 295 G N 1.440 110.205 108.800 -0.059 0.000 2.598 295 G HA2 -0.050 3.911 3.960 0.001 0.000 0.215 295 G HA3 -0.050 3.911 3.960 0.001 0.000 0.215 295 G C 0.994 175.727 174.900 -0.279 0.000 1.131 295 G CA 0.622 45.657 45.100 -0.108 0.000 0.785 295 G HN 0.541 nan 8.290 nan 0.000 0.539 296 D N 0.419 120.587 120.400 -0.387 0.000 2.289 296 D HA 0.024 4.665 4.640 0.001 0.000 0.207 296 D C 2.384 178.591 176.300 -0.154 0.000 0.966 296 D CA -0.027 53.786 54.000 -0.312 0.000 0.868 296 D CB 0.254 40.859 40.800 -0.326 0.000 0.943 296 D HN 0.341 nan 8.370 nan 0.000 0.514 297 I N 1.798 122.280 120.570 -0.147 0.000 2.163 297 I HA -0.215 3.956 4.170 0.001 0.000 0.243 297 I C -0.624 175.461 176.117 -0.053 0.000 1.085 297 I CA 1.297 62.520 61.300 -0.128 0.000 1.347 297 I CB -1.198 36.727 38.000 -0.126 0.000 1.044 297 I HN 0.011 nan 8.210 nan 0.000 0.408 298 P HA -0.160 nan 4.420 nan 0.000 0.216 298 P C 1.225 178.561 177.300 0.059 0.000 1.150 298 P CA 1.700 64.829 63.100 0.048 0.000 0.837 298 P CB -0.217 31.542 31.700 0.098 0.000 0.786 299 H N -0.686 118.325 119.070 -0.099 0.000 2.319 299 H HA -0.072 4.485 4.556 0.001 0.000 0.299 299 H C 2.142 177.411 175.328 -0.100 0.000 1.092 299 H CA 1.036 57.023 56.048 -0.101 0.000 1.302 299 H CB -1.451 28.242 29.762 -0.114 0.000 1.373 299 H HN 0.103 nan 8.280 nan 0.000 0.497 300 I N 0.143 120.714 120.570 0.001 0.000 2.113 300 I HA -0.298 3.873 4.170 0.001 0.000 0.238 300 I C 2.684 178.766 176.117 -0.059 0.000 1.070 300 I CA 1.090 62.356 61.300 -0.057 0.000 1.332 300 I CB -0.529 37.371 38.000 -0.167 0.000 1.044 300 I HN 0.298 nan 8.210 nan 0.000 0.402 301 A N 0.820 123.595 122.820 -0.076 0.000 1.929 301 A HA -0.354 3.966 4.320 0.001 0.000 0.221 301 A C 2.443 180.001 177.584 -0.044 0.000 1.211 301 A CA 2.721 54.723 52.037 -0.058 0.000 0.657 301 A CB -1.117 17.847 19.000 -0.060 0.000 0.827 301 A HN 0.526 nan 8.150 nan 0.000 0.462 302 A N -1.467 121.317 122.820 -0.059 0.000 2.014 302 A HA 0.147 4.467 4.320 0.001 0.000 0.218 302 A C 2.064 179.617 177.584 -0.051 0.000 1.163 302 A CA 1.498 53.496 52.037 -0.065 0.000 0.652 302 A CB -0.454 18.482 19.000 -0.106 0.000 0.808 302 A HN 0.681 nan 8.150 nan 0.000 0.449 303 L N -0.863 120.333 121.223 -0.045 0.000 2.046 303 L HA -0.060 4.280 4.340 0.001 0.000 0.208 303 L C 1.994 178.862 176.870 -0.003 0.000 1.077 303 L CA 1.793 56.620 54.840 -0.022 0.000 0.747 303 L CB -0.390 41.663 42.059 -0.010 0.000 0.896 303 L HN 0.298 nan 8.230 nan 0.000 0.432 304 I N -1.245 119.327 120.570 0.002 0.000 2.703 304 I HA -0.030 4.141 4.170 0.001 0.000 0.259 304 I C 2.537 178.667 176.117 0.021 0.000 1.151 304 I CA 0.756 62.070 61.300 0.024 0.000 1.470 304 I CB -0.428 37.594 38.000 0.038 0.000 1.112 304 I HN 0.162 nan 8.210 nan 0.000 0.437 305 R N 1.035 121.541 120.500 0.009 0.000 2.103 305 R HA -0.171 4.170 4.340 0.001 0.000 0.234 305 R C -0.440 175.867 176.300 0.012 0.000 1.132 305 R CA 2.317 58.425 56.100 0.014 0.000 0.925 305 R CB -1.917 28.383 30.300 0.000 0.000 0.842 305 R HN 0.305 nan 8.270 nan 0.000 0.430 306 P HA -0.140 nan 4.420 nan 0.000 0.220 306 P C 1.306 178.605 177.300 -0.001 0.000 1.148 306 P CA 1.348 64.446 63.100 -0.003 0.000 0.803 306 P CB -0.122 31.573 31.700 -0.008 0.000 0.782 307 L N 0.037 121.262 121.223 0.004 0.000 2.056 307 L HA -0.136 4.204 4.340 0.001 0.000 0.207 307 L C 2.721 179.598 176.870 0.013 0.000 1.078 307 L CA 1.485 56.328 54.840 0.005 0.000 0.749 307 L CB -1.164 40.900 42.059 0.007 0.000 0.901 307 L HN -0.002 nan 8.230 nan 0.000 0.433 308 E N 0.515 120.732 120.200 0.028 0.000 2.058 308 E HA -0.261 4.089 4.350 0.001 0.000 0.194 308 E C 1.940 178.544 176.600 0.007 0.000 0.997 308 E CA 1.331 57.754 56.400 0.039 0.000 0.801 308 E CB -0.331 29.421 29.700 0.086 0.000 0.746 308 E HN 0.544 nan 8.360 nan 0.000 0.450 309 E N 0.816 121.017 120.200 0.001 0.000 2.171 309 E HA -0.226 4.124 4.350 0.001 0.000 0.197 309 E C 2.008 178.595 176.600 -0.022 0.000 0.997 309 E CA 1.040 57.429 56.400 -0.017 0.000 0.810 309 E CB -0.063 29.630 29.700 -0.012 0.000 0.738 309 E HN 0.347 nan 8.360 nan 0.000 0.467 310 Q N -1.236 118.556 119.800 -0.015 0.000 2.392 310 Q HA 0.062 4.403 4.340 0.001 0.000 0.203 310 Q C 0.852 176.841 176.000 -0.018 0.000 0.917 310 Q CA 0.421 56.214 55.803 -0.016 0.000 0.939 310 Q CB 1.020 29.750 28.738 -0.013 0.000 1.063 310 Q HN 0.392 nan 8.270 nan 0.000 0.516 311 G N 0.604 109.395 108.800 -0.017 0.000 2.131 311 G HA2 -0.240 3.721 3.960 0.001 0.000 0.223 311 G HA3 -0.240 3.721 3.960 0.001 0.000 0.223 311 G C 0.557 175.452 174.900 -0.009 0.000 0.990 311 G CA 0.224 45.313 45.100 -0.018 0.000 0.671 311 G HN 0.363 nan 8.290 nan 0.000 0.521 312 I N -0.656 119.913 120.570 -0.002 0.000 2.927 312 I HA 0.336 4.507 4.170 0.001 0.000 0.268 312 I C 1.054 177.180 176.117 0.015 0.000 1.153 312 I CA 0.586 61.886 61.300 -0.000 0.000 1.459 312 I CB 0.138 38.134 38.000 -0.007 0.000 1.149 312 I HN 0.047 nan 8.210 nan 0.000 0.443 313 L N 1.609 122.847 121.223 0.025 0.000 2.365 313 L HA 0.403 4.743 4.340 0.001 0.000 0.273 313 L C -0.425 176.480 176.870 0.059 0.000 1.000 313 L CA -0.813 54.053 54.840 0.044 0.000 0.819 313 L CB 2.761 44.850 42.059 0.051 0.000 1.284 313 L HN 0.062 nan 8.230 nan 0.000 0.418 314 L N 3.820 125.083 121.223 0.066 0.000 2.667 314 L HA -0.087 4.254 4.340 0.001 0.000 0.278 314 L C 0.912 177.864 176.870 0.135 0.000 1.217 314 L CA 0.407 55.297 54.840 0.083 0.000 0.935 314 L CB -0.130 41.967 42.059 0.062 0.000 1.193 314 L HN 0.588 nan 8.230 nan 0.000 0.493 315 H N 5.884 124.969 119.070 0.025 0.000 3.237 315 H HA -0.092 4.464 4.556 0.001 0.000 0.263 315 H C 0.373 175.742 175.328 0.068 0.000 0.854 315 H CA 0.244 56.315 56.048 0.039 0.000 1.416 315 H CB 0.181 29.964 29.762 0.034 0.000 1.432 315 H HN 0.601 nan 8.280 nan 0.000 0.529 316 R N 2.604 123.150 120.500 0.077 0.000 2.981 316 R HA 0.581 4.921 4.340 0.001 0.000 0.228 316 R C -1.018 175.248 176.300 -0.056 0.000 1.421 316 R CA -0.786 55.328 56.100 0.025 0.000 1.073 316 R CB 1.482 31.847 30.300 0.109 0.000 1.568 316 R HN 0.442 nan 8.270 nan 0.000 0.514 317 S N -1.459 114.284 115.700 0.071 0.000 2.549 317 S HA 0.238 4.709 4.470 0.001 0.000 0.280 317 S C 0.451 174.949 174.600 -0.170 0.000 1.109 317 S CA -0.910 57.178 58.200 -0.187 0.000 0.905 317 S CB 2.160 64.996 63.200 -0.606 0.000 1.081 317 S HN 0.857 nan 8.310 nan 0.000 0.477 318 R N 1.681 122.073 120.500 -0.181 0.000 2.115 318 R HA 0.016 4.357 4.340 0.001 0.000 0.230 318 R C 1.149 177.355 176.300 -0.156 0.000 1.111 318 R CA 2.120 58.136 56.100 -0.140 0.000 0.976 318 R CB -0.341 29.892 30.300 -0.110 0.000 0.870 318 R HN 0.744 nan 8.270 nan 0.000 0.445 319 E N -0.348 119.701 120.200 -0.252 0.000 2.152 319 E HA -0.107 4.244 4.350 0.001 0.000 0.192 319 E C 1.460 177.990 176.600 -0.116 0.000 0.983 319 E CA 1.328 57.607 56.400 -0.201 0.000 0.818 319 E CB -0.208 29.346 29.700 -0.244 0.000 0.758 319 E HN 0.486 nan 8.360 nan 0.000 0.467 320 Y N 0.586 120.802 120.300 -0.139 0.000 2.053 320 Y HA -0.286 4.265 4.550 0.001 0.000 0.277 320 Y C 2.192 177.908 175.900 -0.307 0.000 1.159 320 Y CA 0.638 58.533 58.100 -0.341 0.000 1.125 320 Y CB -0.358 37.869 38.460 -0.389 0.000 0.969 320 Y HN 0.005 nan 8.280 nan 0.000 0.492 321 L N 0.160 121.361 121.223 -0.037 0.000 2.012 321 L HA -0.265 4.076 4.340 0.001 0.000 0.210 321 L C 2.291 179.148 176.870 -0.022 0.000 1.073 321 L CA 1.599 56.379 54.840 -0.099 0.000 0.748 321 L CB -0.550 41.382 42.059 -0.213 0.000 0.891 321 L HN 0.359 nan 8.230 nan 0.000 0.431 322 E N -0.193 120.002 120.200 -0.008 0.000 2.118 322 E HA -0.187 4.163 4.350 0.001 0.000 0.195 322 E C 1.409 178.070 176.600 0.101 0.000 0.992 322 E CA 1.073 57.487 56.400 0.024 0.000 0.804 322 E CB -0.114 29.585 29.700 -0.002 0.000 0.741 322 E HN 0.497 nan 8.360 nan 0.000 0.458 323 N N -0.147 118.675 118.700 0.204 0.000 2.280 323 N HA 0.018 4.758 4.740 0.001 0.000 0.192 323 N C 0.271 175.982 175.510 0.335 0.000 1.109 323 N CA 0.459 53.669 53.050 0.266 0.000 0.855 323 N CB 0.456 39.110 38.487 0.279 0.000 0.974 323 N HN 0.366 nan 8.380 nan 0.000 0.482 324 H N -0.841 118.296 119.070 0.113 0.000 2.767 324 H HA 0.176 4.733 4.556 0.002 0.000 0.260 324 H C 0.975 176.444 175.328 0.236 0.000 1.172 324 H CA -0.301 55.843 56.048 0.159 0.000 1.048 324 H CB 0.970 30.862 29.762 0.216 0.000 1.697 324 H HN -0.013 nan 8.280 nan 0.000 0.606 325 I N 2.030 122.756 120.570 0.260 0.000 2.614 325 I HA -0.189 3.981 4.170 0.001 0.000 0.258 325 I C 2.381 178.643 176.117 0.241 0.000 1.189 325 I CA 1.037 62.454 61.300 0.195 0.000 1.462 325 I CB -0.099 37.938 38.000 0.061 0.000 1.092 325 I HN 0.161 nan 8.210 nan 0.000 0.442 326 S N 0.317 116.130 115.700 0.189 0.000 2.481 326 S HA -0.153 4.317 4.470 0.001 0.000 0.231 326 S C 1.661 176.344 174.600 0.139 0.000 0.996 326 S CA 0.912 59.195 58.200 0.139 0.000 0.942 326 S CB -0.674 62.574 63.200 0.080 0.000 0.768 326 S HN 0.759 nan 8.310 nan 0.000 0.520 327 E N -0.563 119.742 120.200 0.176 0.000 2.474 327 E HA 0.185 4.535 4.350 0.001 0.000 0.194 327 E C -0.546 176.044 176.600 -0.017 0.000 1.041 327 E CA -0.443 55.995 56.400 0.062 0.000 0.874 327 E CB -0.175 29.519 29.700 -0.009 0.000 0.914 327 E HN 0.525 nan 8.360 nan 0.000 0.498 328 F N 1.823 121.818 119.950 0.075 0.000 2.384 328 F HA 0.334 4.862 4.527 0.001 0.000 0.338 328 F C 0.397 176.245 175.800 0.081 0.000 1.103 328 F CA -0.481 57.563 58.000 0.073 0.000 1.157 328 F CB 1.802 40.832 39.000 0.050 0.000 1.167 328 F HN -0.192 nan 8.300 nan 0.000 0.529 329 S N 2.978 118.827 115.700 0.249 0.000 2.536 329 S HA 0.789 5.259 4.470 0.001 0.000 0.298 329 S C -0.792 173.884 174.600 0.126 0.000 1.083 329 S CA -0.641 57.661 58.200 0.170 0.000 0.995 329 S CB 1.668 64.982 63.200 0.190 0.000 1.058 329 S HN 0.488 nan 8.310 nan 0.000 0.488 330 I N 0.124 120.718 120.570 0.040 0.000 2.785 330 I HA 0.781 4.952 4.170 0.001 0.000 0.302 330 I C -1.260 174.828 176.117 -0.047 0.000 1.069 330 I CA -1.024 60.284 61.300 0.013 0.000 1.045 330 I CB 1.507 39.505 38.000 -0.003 0.000 1.236 330 I HN 0.575 nan 8.210 nan 0.000 0.429 331 L N 4.091 125.290 121.223 -0.039 0.000 2.341 331 L HA 0.715 5.056 4.340 0.001 0.000 0.278 331 L C -0.795 176.078 176.870 0.004 0.000 1.005 331 L CA 0.093 54.887 54.840 -0.076 0.000 0.818 331 L CB 1.461 43.427 42.059 -0.156 0.000 1.259 331 L HN 0.993 nan 8.230 nan 0.000 0.418 332 E N 2.461 122.692 120.200 0.050 0.000 2.446 332 E HA 0.626 4.976 4.350 0.001 0.000 0.269 332 E C -1.559 175.224 176.600 0.305 0.000 0.977 332 E CA -1.159 55.348 56.400 0.179 0.000 0.854 332 E CB 2.104 31.854 29.700 0.083 0.000 1.545 332 E HN 0.642 nan 8.360 nan 0.000 0.448 333 H N -0.680 118.537 119.070 0.245 0.000 3.069 333 H HA 0.158 4.715 4.556 0.001 0.000 0.294 333 H C -1.464 174.004 175.328 0.234 0.000 1.144 333 H CA -0.258 55.937 56.048 0.245 0.000 1.579 333 H CB 0.640 30.581 29.762 0.298 0.000 2.174 333 H HN 0.608 nan 8.280 nan 0.000 0.456 334 D N 3.952 124.220 120.400 -0.220 0.000 2.792 334 D HA -0.185 4.455 4.640 0.001 0.000 0.231 334 D C 1.419 177.751 176.300 0.054 0.000 1.160 334 D CA 2.881 56.843 54.000 -0.064 0.000 0.697 334 D CB -1.165 39.651 40.800 0.027 0.000 1.070 334 D HN 1.252 nan 8.370 nan 0.000 0.426 335 G N -1.525 107.306 108.800 0.051 0.000 2.205 335 G HA2 -0.360 3.601 3.960 0.001 0.000 0.261 335 G HA3 -0.360 3.601 3.960 0.001 0.000 0.261 335 G C 0.333 175.263 174.900 0.049 0.000 0.980 335 G CA 0.325 45.447 45.100 0.038 0.000 0.632 335 G HN 0.514 nan 8.290 nan 0.000 0.533 336 N N 0.288 119.047 118.700 0.099 0.000 2.463 336 N HA 0.527 5.267 4.740 0.001 0.000 0.270 336 N C -0.579 174.807 175.510 -0.208 0.000 1.205 336 N CA -0.298 52.734 53.050 -0.030 0.000 0.974 336 N CB 1.792 40.249 38.487 -0.051 0.000 1.197 336 N HN 0.239 nan 8.380 nan 0.000 0.504 337 L N 1.860 122.830 121.223 -0.421 0.000 2.325 337 L HA 0.312 4.653 4.340 0.001 0.000 0.281 337 L C -1.121 175.450 176.870 -0.500 0.000 1.004 337 L CA -0.388 54.278 54.840 -0.291 0.000 0.823 337 L CB 0.357 42.385 42.059 -0.052 0.000 1.236 337 L HN 0.587 nan 8.230 nan 0.000 0.415 338 Y N 3.879 124.223 120.300 0.073 0.000 2.430 338 Y HA 0.535 5.085 4.550 0.001 0.000 0.254 338 Y C 1.253 177.207 175.900 0.090 0.000 1.088 338 Y CA 0.130 58.296 58.100 0.109 0.000 1.267 338 Y CB 1.425 40.009 38.460 0.207 0.000 1.204 338 Y HN 0.670 nan 8.280 nan 0.000 0.515 339 G N -0.487 108.385 108.800 0.120 0.000 2.704 339 G HA2 0.533 4.493 3.960 0.001 0.000 0.293 339 G HA3 0.533 4.493 3.960 0.001 0.000 0.293 339 G C -1.614 173.327 174.900 0.069 0.000 1.421 339 G CA -0.543 44.612 45.100 0.092 0.000 0.870 339 G HN 0.158 nan 8.290 nan 0.000 0.492 340 C N -1.098 118.259 119.300 0.095 0.000 3.171 340 C HA 1.041 5.501 4.460 0.001 0.000 0.308 340 C C -0.094 174.985 174.990 0.148 0.000 1.334 340 C CA -0.405 58.704 59.018 0.152 0.000 1.473 340 C CB 1.102 28.980 27.740 0.229 0.000 1.866 340 C HN 2.183 nan 8.230 nan 0.000 0.465 341 A N 0.607 123.519 122.820 0.153 0.000 2.577 341 A HA 0.929 5.249 4.320 0.001 0.000 0.297 341 A C -0.732 176.779 177.584 -0.122 0.000 1.060 341 A CA 0.306 52.377 52.037 0.058 0.000 0.697 341 A CB 0.808 19.876 19.000 0.113 0.000 1.281 341 A HN 2.603 nan 8.150 nan 0.000 0.402 342 A N 0.840 123.469 122.820 -0.318 0.000 2.340 342 A HA 0.788 5.109 4.320 0.001 0.000 0.331 342 A C -1.071 176.386 177.584 -0.212 0.000 1.140 342 A CA -0.512 51.199 52.037 -0.543 0.000 0.801 342 A CB 1.135 19.488 19.000 -1.079 0.000 1.234 342 A HN 1.808 nan 8.150 nan 0.000 0.469 343 L N 2.296 123.421 121.223 -0.163 0.000 2.276 343 L HA 0.425 4.766 4.340 0.001 0.000 0.286 343 L C -0.328 176.477 176.870 -0.109 0.000 1.024 343 L CA -0.280 54.518 54.840 -0.069 0.000 0.826 343 L CB 0.851 42.896 42.059 -0.023 0.000 1.211 343 L HN 0.605 nan 8.230 nan 0.000 0.422 344 K N 3.131 123.468 120.400 -0.104 0.000 2.174 344 K HA 0.541 4.861 4.320 0.001 0.000 0.275 344 K C -0.007 176.382 176.600 -0.351 0.000 1.015 344 K CA -0.428 55.711 56.287 -0.248 0.000 0.933 344 K CB 1.274 33.603 32.500 -0.285 0.000 1.025 344 K HN 0.720 nan 8.250 nan 0.000 0.463 345 T N -1.089 113.155 114.554 -0.518 0.000 2.942 345 T HA 0.744 5.095 4.350 0.001 0.000 0.289 345 T C -0.462 173.730 174.700 -0.847 0.000 1.044 345 T CA -0.641 61.171 62.100 -0.480 0.000 1.023 345 T CB 0.681 69.435 68.868 -0.189 0.000 1.123 345 T HN 0.331 nan 8.240 nan 0.000 0.512 346 F N -1.070 118.871 119.950 -0.015 0.000 2.675 346 F HA 0.741 5.268 4.527 -0.000 0.000 0.324 346 F C 1.558 177.345 175.800 -0.021 0.000 1.106 346 F CA -1.011 56.973 58.000 -0.028 0.000 0.970 346 F CB 0.962 39.937 39.000 -0.043 0.000 1.385 346 F HN 0.766 nan 8.300 nan 0.000 0.489 347 A N -0.393 122.538 122.820 0.185 0.000 1.902 347 A HA -0.095 4.226 4.320 0.001 0.000 0.217 347 A C 0.580 178.214 177.584 0.084 0.000 1.181 347 A CA 1.148 53.240 52.037 0.092 0.000 0.623 347 A CB -0.942 18.099 19.000 0.069 0.000 0.818 347 A HN 0.708 nan 8.150 nan 0.000 0.443 348 E N 0.318 120.582 120.200 0.107 0.000 2.341 348 E HA 0.357 4.707 4.350 0.001 0.000 0.256 348 E C 1.013 177.675 176.600 0.102 0.000 1.125 348 E CA 0.403 56.853 56.400 0.084 0.000 0.939 348 E CB 0.464 30.202 29.700 0.063 0.000 0.991 348 E HN 0.411 nan 8.360 nan 0.000 0.458 349 A N 4.352 127.212 122.820 0.065 0.000 2.131 349 A HA -0.221 4.099 4.320 0.001 0.000 0.220 349 A C 1.477 179.099 177.584 0.063 0.000 1.158 349 A CA 1.707 53.778 52.037 0.055 0.000 0.665 349 A CB -0.242 18.777 19.000 0.031 0.000 0.795 349 A HN 0.686 nan 8.150 nan 0.000 0.460 350 D N -1.699 118.742 120.400 0.068 0.000 2.339 350 D HA 0.072 4.712 4.640 0.001 0.000 0.217 350 D C 0.167 176.527 176.300 0.100 0.000 1.050 350 D CA -0.004 54.031 54.000 0.058 0.000 0.856 350 D CB -0.681 40.138 40.800 0.032 0.000 0.922 350 D HN 0.284 nan 8.370 nan 0.000 0.518 351 C N 0.466 119.866 119.300 0.168 0.000 2.411 351 C HA 0.895 5.356 4.460 0.001 0.000 0.330 351 C C 0.740 175.954 174.990 0.373 0.000 1.224 351 C CA -0.439 58.745 59.018 0.277 0.000 1.770 351 C CB 1.230 29.119 27.740 0.248 0.000 2.297 351 C HN 0.400 nan 8.230 nan 0.000 0.507 352 G N 1.018 110.053 108.800 0.392 0.000 2.680 352 G HA2 0.723 4.683 3.960 0.001 0.000 0.290 352 G HA3 0.723 4.683 3.960 0.001 0.000 0.290 352 G C -2.014 173.191 174.900 0.507 0.000 1.355 352 G CA -0.209 45.134 45.100 0.405 0.000 0.903 352 G HN 0.784 nan 8.290 nan 0.000 0.474 353 E N -0.022 120.442 120.200 0.439 0.000 2.275 353 E HA 0.435 4.786 4.350 0.001 0.000 0.270 353 E C -1.428 175.288 176.600 0.194 0.000 0.882 353 E CA -0.785 55.835 56.400 0.367 0.000 0.758 353 E CB 2.565 32.536 29.700 0.451 0.000 1.195 353 E HN 0.467 nan 8.360 nan 0.000 0.419 354 I N 3.573 124.243 120.570 0.166 0.000 2.342 354 I HA 0.597 4.768 4.170 0.001 0.000 0.291 354 I C -0.909 175.223 176.117 0.025 0.000 1.010 354 I CA -0.060 61.301 61.300 0.102 0.000 1.308 354 I CB 0.666 38.775 38.000 0.183 0.000 1.400 354 I HN 0.643 nan 8.210 nan 0.000 0.488 355 A N 4.993 127.809 122.820 -0.007 0.000 2.479 355 A HA 0.491 4.811 4.320 0.001 0.000 0.296 355 A C 0.205 177.774 177.584 -0.025 0.000 1.121 355 A CA -0.380 51.646 52.037 -0.018 0.000 0.743 355 A CB 1.077 20.062 19.000 -0.025 0.000 1.323 355 A HN 1.080 nan 8.150 nan 0.000 0.415 356 C N -0.361 118.956 119.300 0.030 0.000 4.365 356 C HA -0.117 4.344 4.460 0.001 0.000 0.299 356 C C 0.328 175.371 174.990 0.087 0.000 1.409 356 C CA 0.572 59.641 59.018 0.085 0.000 2.007 356 C CB -2.879 24.959 27.740 0.163 0.000 1.264 356 C HN 1.271 nan 8.230 nan 0.000 0.777 357 L N 1.744 123.009 121.223 0.070 0.000 2.410 357 L HA 0.587 4.927 4.340 0.001 0.000 0.273 357 L C 0.240 177.101 176.870 -0.016 0.000 1.144 357 L CA 1.335 56.203 54.840 0.046 0.000 0.863 357 L CB 0.763 42.866 42.059 0.074 0.000 1.140 357 L HN 0.659 nan 8.230 nan 0.000 0.463 358 A N 4.773 127.587 122.820 -0.010 0.000 2.491 358 A HA 0.672 4.993 4.320 0.001 0.000 0.293 358 A C -1.652 175.938 177.584 0.011 0.000 1.047 358 A CA -0.556 51.474 52.037 -0.012 0.000 0.735 358 A CB 1.309 20.329 19.000 0.033 0.000 1.281 358 A HN 0.452 nan 8.150 nan 0.000 0.398 359 V N 1.639 121.551 119.914 -0.003 0.000 2.487 359 V HA 0.498 4.619 4.120 0.001 0.000 0.298 359 V C 0.957 177.096 176.094 0.075 0.000 1.028 359 V CA -0.583 61.760 62.300 0.071 0.000 0.860 359 V CB 1.830 33.705 31.823 0.087 0.000 0.991 359 V HN 1.081 nan 8.190 nan 0.000 0.427 360 S N 6.364 122.142 115.700 0.130 0.000 2.784 360 S HA 0.015 4.485 4.470 0.001 0.000 0.322 360 S C -1.206 173.453 174.600 0.099 0.000 1.234 360 S CA -0.362 57.913 58.200 0.124 0.000 1.064 360 S CB 0.658 63.992 63.200 0.224 0.000 0.787 360 S HN 0.643 nan 8.310 nan 0.000 0.506 361 P HA -0.167 nan 4.420 nan 0.000 0.216 361 P C 1.166 178.476 177.300 0.018 0.000 1.150 361 P CA 1.304 64.416 63.100 0.020 0.000 0.837 361 P CB 0.000 31.706 31.700 0.009 0.000 0.786 362 Q N -0.604 119.221 119.800 0.041 0.000 2.224 362 Q HA 0.005 4.346 4.340 0.001 0.000 0.203 362 Q C 1.706 177.702 176.000 -0.007 0.000 0.970 362 Q CA 1.530 57.349 55.803 0.027 0.000 0.865 362 Q CB -0.799 27.975 28.738 0.060 0.000 0.922 362 Q HN 0.141 nan 8.270 nan 0.000 0.445 363 A N -0.005 122.829 122.820 0.023 0.000 2.430 363 A HA 0.138 4.459 4.320 0.001 0.000 0.243 363 A C 0.347 177.848 177.584 -0.138 0.000 1.254 363 A CA -0.426 51.560 52.037 -0.084 0.000 0.914 363 A CB 0.204 19.229 19.000 0.043 0.000 0.998 363 A HN 0.260 nan 8.150 nan 0.000 0.515 364 Q N -0.310 119.451 119.800 -0.065 0.000 2.471 364 Q HA 0.257 4.598 4.340 0.001 0.000 0.223 364 Q C -0.240 175.700 176.000 -0.099 0.000 1.045 364 Q CA 0.445 56.210 55.803 -0.063 0.000 0.956 364 Q CB 0.276 28.994 28.738 -0.035 0.000 1.249 364 Q HN 0.475 nan 8.270 nan 0.000 0.549 365 D N -0.897 119.469 120.400 -0.057 0.000 3.079 365 D HA -0.181 4.460 4.640 0.001 0.000 0.214 365 D C 0.315 176.557 176.300 -0.096 0.000 1.145 365 D CA 1.017 54.991 54.000 -0.044 0.000 0.958 365 D CB -0.759 40.016 40.800 -0.040 0.000 1.117 365 D HN 0.703 nan 8.370 nan 0.000 0.416 366 G N -1.152 107.535 108.800 -0.188 0.000 3.393 366 G HA2 0.453 4.413 3.960 0.001 0.000 0.255 366 G HA3 0.453 4.413 3.960 0.001 0.000 0.255 366 G C 1.249 176.051 174.900 -0.164 0.000 1.097 366 G CA 0.304 45.256 45.100 -0.247 0.000 0.780 366 G HN 0.859 nan 8.290 nan 0.000 0.540 367 G N -0.369 108.417 108.800 -0.024 0.000 2.175 367 G HA2 -0.348 3.613 3.960 0.001 0.000 0.244 367 G HA3 -0.348 3.613 3.960 0.001 0.000 0.244 367 G C 1.046 176.098 174.900 0.252 0.000 0.982 367 G CA 0.451 45.612 45.100 0.102 0.000 0.641 367 G HN 0.471 nan 8.290 nan 0.000 0.527 368 Y N 0.576 120.907 120.300 0.051 0.000 2.081 368 Y HA -0.133 4.418 4.550 0.001 0.000 0.280 368 Y C 3.182 179.147 175.900 0.109 0.000 1.163 368 Y CA 1.011 59.149 58.100 0.064 0.000 1.135 368 Y CB -0.469 38.020 38.460 0.048 0.000 0.970 368 Y HN 0.360 nan 8.280 nan 0.000 0.498 369 G N 0.262 109.232 108.800 0.283 0.000 2.719 369 G HA2 -0.431 3.529 3.960 0.001 0.000 0.219 369 G HA3 -0.431 3.529 3.960 0.001 0.000 0.219 369 G C 1.228 176.409 174.900 0.468 0.000 1.234 369 G CA 1.697 46.939 45.100 0.237 0.000 0.788 369 G HN 0.403 nan 8.290 nan 0.000 0.619 370 E N -0.123 120.418 120.200 0.568 0.000 2.197 370 E HA -0.218 4.133 4.350 0.001 0.000 0.205 370 E C 2.659 179.415 176.600 0.260 0.000 1.029 370 E CA 1.578 58.184 56.400 0.343 0.000 0.828 370 E CB -0.096 29.705 29.700 0.168 0.000 0.737 370 E HN 0.475 nan 8.360 nan 0.000 0.464 371 R N -0.777 119.864 120.500 0.235 0.000 2.090 371 R HA 0.010 4.351 4.340 0.001 0.000 0.228 371 R C 2.332 178.745 176.300 0.188 0.000 1.110 371 R CA 0.895 57.102 56.100 0.179 0.000 0.973 371 R CB -0.068 30.316 30.300 0.140 0.000 0.869 371 R HN 0.206 nan 8.270 nan 0.000 0.440 372 L N 0.031 121.372 121.223 0.195 0.000 2.044 372 L HA -0.152 4.189 4.340 0.001 0.000 0.205 372 L C 2.224 179.259 176.870 0.276 0.000 1.075 372 L CA 0.634 55.594 54.840 0.200 0.000 0.747 372 L CB -0.465 41.686 42.059 0.153 0.000 0.903 372 L HN 0.196 nan 8.230 nan 0.000 0.435 373 L N 0.529 121.950 121.223 0.329 0.000 1.990 373 L HA -0.242 4.098 4.340 0.001 0.000 0.213 373 L C 2.612 179.653 176.870 0.285 0.000 1.072 373 L CA 2.229 57.292 54.840 0.371 0.000 0.755 373 L CB -0.824 41.526 42.059 0.485 0.000 0.889 373 L HN 0.178 nan 8.230 nan 0.000 0.432 374 A N -1.575 121.388 122.820 0.238 0.000 1.940 374 A HA -0.319 4.002 4.320 0.001 0.000 0.219 374 A C 2.274 179.962 177.584 0.175 0.000 1.176 374 A CA 2.004 54.148 52.037 0.179 0.000 0.631 374 A CB -1.055 18.036 19.000 0.152 0.000 0.814 374 A HN 0.814 nan 8.150 nan 0.000 0.446 375 H N -0.265 118.874 119.070 0.115 0.000 2.343 375 H HA -0.014 4.543 4.556 0.002 0.000 0.303 375 H C 1.801 177.184 175.328 0.091 0.000 1.068 375 H CA 1.456 57.559 56.048 0.092 0.000 1.359 375 H CB -0.301 29.512 29.762 0.087 0.000 1.402 375 H HN 0.430 nan 8.280 nan 0.000 0.515 376 I N 0.860 121.523 120.570 0.154 0.000 2.248 376 I HA -0.230 3.941 4.170 0.001 0.000 0.248 376 I C 2.199 178.353 176.117 0.061 0.000 1.107 376 I CA 1.982 63.335 61.300 0.090 0.000 1.373 376 I CB -0.681 37.407 38.000 0.147 0.000 1.055 376 I HN 0.552 nan 8.210 nan 0.000 0.418 377 I N 0.024 120.651 120.570 0.094 0.000 2.286 377 I HA -0.168 4.002 4.170 0.001 0.000 0.245 377 I C 1.891 178.016 176.117 0.012 0.000 1.104 377 I CA 1.727 63.066 61.300 0.065 0.000 1.397 377 I CB -0.914 37.132 38.000 0.077 0.000 1.072 377 I HN 0.106 nan 8.210 nan 0.000 0.417 378 D N 1.521 121.913 120.400 -0.014 0.000 2.104 378 D HA -0.247 4.394 4.640 0.001 0.000 0.194 378 D C 2.038 178.290 176.300 -0.080 0.000 0.994 378 D CA 1.808 55.781 54.000 -0.045 0.000 0.830 378 D CB -0.294 40.472 40.800 -0.057 0.000 0.959 378 D HN 0.509 nan 8.370 nan 0.000 0.452 379 K N 0.865 121.174 120.400 -0.150 0.000 2.001 379 K HA -0.212 4.109 4.320 0.001 0.000 0.214 379 K C 2.110 178.683 176.600 -0.044 0.000 1.050 379 K CA 1.809 58.026 56.287 -0.117 0.000 0.934 379 K CB -0.224 32.188 32.500 -0.146 0.000 0.718 379 K HN 0.022 nan 8.250 nan 0.000 0.443 380 A N 1.498 124.308 122.820 -0.017 0.000 1.903 380 A HA -0.279 4.041 4.320 0.001 0.000 0.219 380 A C 2.229 179.815 177.584 0.004 0.000 1.191 380 A CA 2.158 54.201 52.037 0.010 0.000 0.638 380 A CB -0.823 18.199 19.000 0.036 0.000 0.823 380 A HN 0.517 nan 8.150 nan 0.000 0.451 381 R N -0.763 119.736 120.500 -0.002 0.000 2.096 381 R HA -0.095 4.246 4.340 0.001 0.000 0.235 381 R C 2.165 178.463 176.300 -0.003 0.000 1.127 381 R CA 1.439 57.539 56.100 -0.001 0.000 0.968 381 R CB -0.620 29.682 30.300 0.003 0.000 0.861 381 R HN 0.477 nan 8.270 nan 0.000 0.440 382 G N 1.281 110.075 108.800 -0.010 0.000 2.534 382 G HA2 -0.122 3.839 3.960 0.001 0.000 0.217 382 G HA3 -0.122 3.839 3.960 0.001 0.000 0.217 382 G C 1.350 176.247 174.900 -0.005 0.000 1.128 382 G CA 0.576 45.671 45.100 -0.008 0.000 0.784 382 G HN 0.539 nan 8.290 nan 0.000 0.542 383 I N -3.193 117.375 120.570 -0.004 0.000 3.904 383 I HA 0.480 4.651 4.170 0.001 0.000 0.333 383 I C 1.267 177.387 176.117 0.005 0.000 1.361 383 I CA 0.418 61.718 61.300 -0.000 0.000 1.116 383 I CB 0.125 38.123 38.000 -0.003 0.000 1.028 383 I HN 0.141 nan 8.210 nan 0.000 0.398 384 G N 2.300 111.103 108.800 0.005 0.000 2.157 384 G HA2 -0.235 3.725 3.960 0.001 0.000 0.239 384 G HA3 -0.235 3.725 3.960 0.001 0.000 0.239 384 G C 0.090 174.995 174.900 0.008 0.000 0.982 384 G CA 0.024 45.126 45.100 0.004 0.000 0.650 384 G HN 0.465 nan 8.290 nan 0.000 0.527 385 I N 2.162 122.742 120.570 0.017 0.000 2.668 385 I HA 0.239 4.409 4.170 0.001 0.000 0.285 385 I C 1.607 177.723 176.117 -0.002 0.000 1.168 385 I CA 0.964 62.280 61.300 0.027 0.000 1.424 385 I CB 1.139 39.172 38.000 0.055 0.000 1.377 385 I HN 0.273 nan 8.210 nan 0.000 0.560 386 S N 5.289 120.978 115.700 -0.019 0.000 2.578 386 S HA 0.308 4.778 4.470 0.001 0.000 0.228 386 S C 0.591 175.128 174.600 -0.105 0.000 1.022 386 S CA -0.536 57.620 58.200 -0.074 0.000 0.967 386 S CB 0.368 63.507 63.200 -0.101 0.000 0.914 386 S HN 0.603 nan 8.310 nan 0.000 0.515 387 R N 1.113 121.574 120.500 -0.065 0.000 2.468 387 R HA 0.454 4.795 4.340 0.001 0.000 0.302 387 R C -1.701 174.554 176.300 -0.075 0.000 1.041 387 R CA -0.322 55.695 56.100 -0.138 0.000 0.899 387 R CB 1.626 31.838 30.300 -0.147 0.000 1.167 387 R HN 0.252 nan 8.270 nan 0.000 0.483 388 L N 4.859 125.989 121.223 -0.155 0.000 2.265 388 L HA 0.467 4.808 4.340 0.001 0.000 0.289 388 L C -0.882 175.975 176.870 -0.022 0.000 1.033 388 L CA -0.502 54.345 54.840 0.012 0.000 0.814 388 L CB 0.532 42.606 42.059 0.025 0.000 1.203 388 L HN 0.496 nan 8.230 nan 0.000 0.423 389 F N 3.126 123.158 119.950 0.137 0.000 2.379 389 F HA 0.582 5.109 4.527 -0.000 0.000 0.332 389 F C 0.609 176.478 175.800 0.114 0.000 1.096 389 F CA -0.424 57.652 58.000 0.128 0.000 1.105 389 F CB 1.601 40.595 39.000 -0.011 0.000 1.189 389 F HN 0.472 nan 8.300 nan 0.000 0.515 390 A N 3.283 126.178 122.820 0.125 0.000 2.381 390 A HA 0.784 5.104 4.320 0.001 0.000 0.299 390 A C -1.712 175.751 177.584 -0.202 0.000 1.049 390 A CA -0.585 51.258 52.037 -0.323 0.000 0.715 390 A CB 0.932 19.125 19.000 -1.345 0.000 1.222 390 A HN 0.611 nan 8.150 nan 0.000 0.428 391 L N 1.734 122.885 121.223 -0.119 0.000 2.298 391 L HA 0.746 5.087 4.340 0.001 0.000 0.284 391 L C 0.326 177.196 176.870 0.000 0.000 1.013 391 L CA 0.018 54.863 54.840 0.008 0.000 0.824 391 L CB 1.776 43.895 42.059 0.101 0.000 1.221 391 L HN 0.625 nan 8.230 nan 0.000 0.418 392 S N 0.728 116.456 115.700 0.046 0.000 2.575 392 S HA 0.342 4.812 4.470 0.001 0.000 0.278 392 S C 0.595 175.215 174.600 0.034 0.000 1.139 392 S CA -0.327 57.905 58.200 0.054 0.000 0.954 392 S CB 1.713 64.989 63.200 0.126 0.000 1.054 392 S HN 0.678 nan 8.310 nan 0.000 0.483 393 T N 2.821 117.376 114.554 0.002 0.000 2.942 393 T HA 0.140 4.491 4.350 0.001 0.000 0.265 393 T C 0.892 175.511 174.700 -0.135 0.000 1.062 393 T CA 1.139 63.199 62.100 -0.066 0.000 1.139 393 T CB -0.200 68.651 68.868 -0.029 0.000 0.883 393 T HN 0.643 nan 8.240 nan 0.000 0.468 394 N N -0.748 117.915 118.700 -0.060 0.000 2.082 394 N HA 0.151 4.891 4.740 0.001 0.000 0.228 394 N C 0.183 175.690 175.510 -0.004 0.000 1.341 394 N CA 0.248 53.269 53.050 -0.047 0.000 0.873 394 N CB 1.411 39.880 38.487 -0.030 0.000 1.137 394 N HN 0.238 nan 8.380 nan 0.000 0.505 395 T N -1.724 112.859 114.554 0.049 0.000 3.192 395 T HA 0.150 4.501 4.350 0.001 0.000 0.295 395 T C 1.615 176.468 174.700 0.254 0.000 0.947 395 T CA 0.145 62.312 62.100 0.111 0.000 0.916 395 T CB 0.916 69.831 68.868 0.077 0.000 1.169 395 T HN 0.143 nan 8.240 nan 0.000 0.540 396 G N 2.683 111.631 108.800 0.246 0.000 2.503 396 G HA2 -0.277 3.683 3.960 0.001 0.000 0.221 396 G HA3 -0.277 3.683 3.960 0.001 0.000 0.221 396 G C 1.296 176.382 174.900 0.311 0.000 1.131 396 G CA 1.325 46.629 45.100 0.340 0.000 0.756 396 G HN 0.559 nan 8.290 nan 0.000 0.572 397 E N -0.642 119.687 120.200 0.215 0.000 2.106 397 E HA -0.120 4.231 4.350 0.001 0.000 0.192 397 E C 1.901 178.571 176.600 0.118 0.000 0.984 397 E CA 0.710 57.203 56.400 0.154 0.000 0.806 397 E CB -0.570 29.198 29.700 0.113 0.000 0.750 397 E HN 0.662 nan 8.360 nan 0.000 0.458 398 W N 0.593 121.839 121.300 -0.091 0.000 2.305 398 W HA -0.239 4.422 4.660 0.000 0.000 0.308 398 W C 1.393 177.710 176.519 -0.337 0.000 1.226 398 W CA 1.858 59.048 57.345 -0.259 0.000 1.253 398 W CB -0.239 28.978 29.460 -0.405 0.000 1.146 398 W HN 0.050 nan 8.180 nan 0.000 0.507 399 F N -0.695 119.340 119.950 0.142 0.000 2.270 399 F HA 0.054 4.582 4.527 0.001 0.000 0.295 399 F C 2.489 178.353 175.800 0.107 0.000 1.087 399 F CA 1.071 59.030 58.000 -0.069 0.000 1.365 399 F CB -1.280 37.429 39.000 -0.486 0.000 1.056 399 F HN -0.098 nan 8.300 nan 0.000 0.506 400 A N 0.273 123.246 122.820 0.255 0.000 1.940 400 A HA -0.220 4.101 4.320 0.001 0.000 0.219 400 A C 1.945 179.582 177.584 0.088 0.000 1.176 400 A CA 1.873 54.022 52.037 0.187 0.000 0.631 400 A CB -0.717 18.370 19.000 0.145 0.000 0.814 400 A HN 0.450 nan 8.150 nan 0.000 0.446 401 E N -1.333 118.862 120.200 -0.007 0.000 2.481 401 E HA 0.015 4.365 4.350 0.001 0.000 0.195 401 E C 0.867 177.392 176.600 -0.125 0.000 1.047 401 E CA 0.223 56.573 56.400 -0.084 0.000 0.867 401 E CB 0.099 29.712 29.700 -0.145 0.000 0.858 401 E HN 0.446 nan 8.360 nan 0.000 0.513 402 R N -0.765 119.684 120.500 -0.085 0.000 2.700 402 R HA 0.175 4.516 4.340 0.001 0.000 0.399 402 R C 0.321 176.703 176.300 0.137 0.000 1.115 402 R CA 0.273 56.327 56.100 -0.078 0.000 1.058 402 R CB 1.179 31.281 30.300 -0.330 0.000 1.389 402 R HN 0.190 nan 8.270 nan 0.000 0.582 403 G N -0.203 108.669 108.800 0.119 0.000 2.184 403 G HA2 -0.249 3.711 3.960 0.001 0.000 0.206 403 G HA3 -0.249 3.711 3.960 0.001 0.000 0.206 403 G C -0.079 174.809 174.900 -0.021 0.000 0.995 403 G CA -0.702 44.408 45.100 0.017 0.000 0.651 403 G HN 0.211 nan 8.290 nan 0.000 0.511 404 F N 1.965 121.940 119.950 0.041 0.000 2.420 404 F HA 0.601 5.129 4.527 0.002 0.000 0.352 404 F C 0.932 176.746 175.800 0.023 0.000 1.108 404 F CA -0.447 57.581 58.000 0.047 0.000 1.162 404 F CB 1.175 40.261 39.000 0.144 0.000 1.118 404 F HN 0.082 nan 8.300 nan 0.000 0.510 405 Q N 0.820 120.677 119.800 0.095 0.000 2.214 405 Q HA 0.303 4.644 4.340 0.001 0.000 0.251 405 Q C 0.061 176.102 176.000 0.069 0.000 0.936 405 Q CA -0.845 54.993 55.803 0.058 0.000 0.894 405 Q CB 1.298 30.030 28.738 -0.010 0.000 1.252 405 Q HN 0.591 nan 8.270 nan 0.000 0.448 406 T N 0.095 114.680 114.554 0.051 0.000 2.930 406 T HA 0.485 4.836 4.350 0.001 0.000 0.306 406 T C -0.594 174.112 174.700 0.010 0.000 1.045 406 T CA 0.135 62.256 62.100 0.035 0.000 1.134 406 T CB 0.151 69.026 68.868 0.011 0.000 0.961 406 T HN 0.619 nan 8.240 nan 0.000 0.545 407 A N 3.571 126.399 122.820 0.013 0.000 2.507 407 A HA 0.812 5.132 4.320 0.001 0.000 0.284 407 A C -0.283 177.294 177.584 -0.012 0.000 1.281 407 A CA -0.737 51.306 52.037 0.011 0.000 0.744 407 A CB 1.533 20.565 19.000 0.053 0.000 1.332 407 A HN 0.782 nan 8.150 nan 0.000 0.454 408 S N -1.513 114.176 115.700 -0.018 0.000 2.689 408 S HA 0.387 4.858 4.470 0.001 0.000 0.306 408 S C 0.745 175.269 174.600 -0.126 0.000 1.104 408 S CA -0.157 58.007 58.200 -0.060 0.000 0.973 408 S CB 1.192 64.368 63.200 -0.039 0.000 1.121 408 S HN 0.649 nan 8.310 nan 0.000 0.523 409 E N 0.645 120.737 120.200 -0.179 0.000 2.204 409 E HA -0.122 4.228 4.350 0.001 0.000 0.194 409 E C 0.188 176.685 176.600 -0.171 0.000 0.989 409 E CA 0.815 57.051 56.400 -0.274 0.000 0.824 409 E CB -0.077 29.497 29.700 -0.211 0.000 0.756 409 E HN 0.429 nan 8.360 nan 0.000 0.477 410 D N 0.977 121.318 120.400 -0.098 0.000 2.371 410 D HA -0.058 4.583 4.640 0.001 0.000 0.221 410 D C 1.102 177.363 176.300 -0.066 0.000 0.986 410 D CA 0.641 54.600 54.000 -0.069 0.000 0.899 410 D CB 0.119 40.895 40.800 -0.040 0.000 0.902 410 D HN 0.322 nan 8.370 nan 0.000 0.530 411 E N -0.507 119.654 120.200 -0.065 0.000 2.452 411 E HA 0.119 4.470 4.350 0.001 0.000 0.197 411 E C 0.476 177.025 176.600 -0.084 0.000 1.022 411 E CA -0.166 56.233 56.400 -0.001 0.000 0.890 411 E CB 0.652 30.406 29.700 0.091 0.000 0.918 411 E HN 0.196 nan 8.360 nan 0.000 0.496 412 L N 2.066 123.108 121.223 -0.301 0.000 2.464 412 L HA 0.173 4.513 4.340 0.001 0.000 0.264 412 L C -2.105 174.407 176.870 -0.596 0.000 1.199 412 L CA -2.057 52.366 54.840 -0.695 0.000 0.818 412 L CB -0.170 41.546 42.059 -0.572 0.000 1.102 412 L HN -0.193 nan 8.230 nan 0.000 0.473 413 P HA -0.080 nan 4.420 nan 0.000 0.265 413 P C 0.385 177.466 177.300 -0.365 0.000 1.187 413 P CA 0.137 62.893 63.100 -0.574 0.000 0.766 413 P CB 0.475 31.589 31.700 -0.976 0.000 0.820 414 E N 2.172 122.258 120.200 -0.190 0.000 2.086 414 E HA -0.281 4.070 4.350 0.001 0.000 0.200 414 E C 1.283 177.838 176.600 -0.075 0.000 1.012 414 E CA 2.390 58.725 56.400 -0.109 0.000 0.812 414 E CB -0.302 29.365 29.700 -0.055 0.000 0.743 414 E HN 0.593 nan 8.360 nan 0.000 0.453 415 T N -1.579 112.955 114.554 -0.033 0.000 2.995 415 T HA -0.073 4.278 4.350 0.001 0.000 0.269 415 T C 1.900 176.610 174.700 0.016 0.000 1.091 415 T CA 0.971 63.083 62.100 0.019 0.000 1.128 415 T CB -0.136 68.778 68.868 0.077 0.000 0.891 415 T HN -0.000 nan 8.240 nan 0.000 0.492 416 R N 1.497 121.957 120.500 -0.068 0.000 2.090 416 R HA 0.226 4.567 4.340 0.001 0.000 0.228 416 R C 2.596 178.854 176.300 -0.070 0.000 1.110 416 R CA 1.247 57.293 56.100 -0.089 0.000 0.973 416 R CB -0.727 29.332 30.300 -0.401 0.000 0.869 416 R HN 0.484 nan 8.270 nan 0.000 0.440 417 R N 0.130 120.551 120.500 -0.132 0.000 2.105 417 R HA -0.140 4.200 4.340 0.001 0.000 0.239 417 R C 1.612 177.937 176.300 0.042 0.000 1.135 417 R CA 1.503 57.564 56.100 -0.066 0.000 0.967 417 R CB -0.062 30.174 30.300 -0.106 0.000 0.861 417 R HN -0.040 nan 8.270 nan 0.000 0.442 418 K N 0.927 121.341 120.400 0.023 0.000 1.965 418 K HA -0.128 4.193 4.320 0.001 0.000 0.214 418 K C 1.691 178.325 176.600 0.057 0.000 1.046 418 K CA 1.900 58.210 56.287 0.039 0.000 0.944 418 K CB -0.702 31.812 32.500 0.024 0.000 0.726 418 K HN 0.222 nan 8.250 nan 0.000 0.441 419 D N -0.265 120.169 120.400 0.057 0.000 2.133 419 D HA -0.229 4.412 4.640 0.001 0.000 0.192 419 D C 1.941 178.283 176.300 0.070 0.000 1.001 419 D CA 1.282 55.315 54.000 0.055 0.000 0.844 419 D CB -0.587 40.250 40.800 0.063 0.000 0.944 419 D HN 0.277 nan 8.370 nan 0.000 0.447 420 Y N 1.534 121.822 120.300 -0.019 0.000 2.097 420 Y HA -0.242 4.308 4.550 0.001 0.000 0.282 420 Y C 2.501 178.398 175.900 -0.006 0.000 1.152 420 Y CA 1.875 59.966 58.100 -0.015 0.000 1.136 420 Y CB -0.133 38.307 38.460 -0.033 0.000 0.975 420 Y HN -0.163 nan 8.280 nan 0.000 0.498 421 R N -0.358 120.212 120.500 0.117 0.000 2.127 421 R HA -0.151 4.190 4.340 0.001 0.000 0.238 421 R C 2.464 178.739 176.300 -0.042 0.000 1.134 421 R CA 1.701 57.821 56.100 0.033 0.000 0.975 421 R CB -0.372 29.975 30.300 0.079 0.000 0.865 421 R HN 0.509 nan 8.270 nan 0.000 0.447 422 S N -1.287 114.396 115.700 -0.027 0.000 2.517 422 S HA 0.072 4.542 4.470 0.001 0.000 0.214 422 S C 1.215 175.789 174.600 -0.045 0.000 0.991 422 S CA 0.087 58.272 58.200 -0.026 0.000 0.906 422 S CB 0.065 63.264 63.200 -0.001 0.000 0.789 422 S HN 0.311 nan 8.310 nan 0.000 0.513 423 N N 1.310 119.963 118.700 -0.078 0.000 2.354 423 N HA 0.201 4.941 4.740 0.001 0.000 0.179 423 N C 1.281 176.726 175.510 -0.109 0.000 1.021 423 N CA 0.531 53.535 53.050 -0.077 0.000 0.887 423 N CB -0.154 38.292 38.487 -0.068 0.000 0.974 423 N HN 0.621 nan 8.380 nan 0.000 0.437 424 G N 0.978 109.669 108.800 -0.181 0.000 2.179 424 G HA2 -0.327 3.633 3.960 0.001 0.000 0.260 424 G HA3 -0.327 3.633 3.960 0.001 0.000 0.260 424 G C 0.970 175.774 174.900 -0.160 0.000 0.977 424 G CA 0.319 45.328 45.100 -0.151 0.000 0.641 424 G HN 0.305 nan 8.290 nan 0.000 0.533 425 R N -0.052 120.325 120.500 -0.205 0.000 2.153 425 R HA 0.088 4.428 4.340 0.001 0.000 0.218 425 R C 1.625 177.850 176.300 -0.124 0.000 1.072 425 R CA 0.698 56.718 56.100 -0.134 0.000 0.990 425 R CB -0.143 30.099 30.300 -0.096 0.000 0.889 425 R HN 0.500 nan 8.270 nan 0.000 0.452 426 N N 0.571 119.124 118.700 -0.245 0.000 2.741 426 N HA -0.167 4.573 4.740 0.001 0.000 0.250 426 N C -0.631 174.974 175.510 0.157 0.000 1.115 426 N CA 0.708 53.723 53.050 -0.059 0.000 0.724 426 N CB -1.156 37.335 38.487 0.006 0.000 1.090 426 N HN 0.332 nan 8.380 nan 0.000 0.558 427 S N -0.999 114.802 115.700 0.168 0.000 2.598 427 S HA 0.099 4.570 4.470 0.001 0.000 0.256 427 S C 0.249 175.112 174.600 0.438 0.000 1.350 427 S CA -0.204 58.148 58.200 0.254 0.000 0.984 427 S CB 0.454 63.770 63.200 0.192 0.000 0.930 427 S HN 0.350 nan 8.310 nan 0.000 0.577 428 H N -0.035 119.125 119.070 0.150 0.000 2.527 428 H HA 0.488 5.044 4.556 0.001 0.000 0.321 428 H C -0.127 175.247 175.328 0.077 0.000 1.087 428 H CA -0.739 55.375 56.048 0.110 0.000 1.337 428 H CB 1.085 30.904 29.762 0.095 0.000 1.440 428 H HN 0.581 nan 8.280 nan 0.000 0.490 429 I N 3.634 124.279 120.570 0.125 0.000 2.392 429 I HA 0.397 4.567 4.170 0.001 0.000 0.295 429 I C -1.602 174.571 176.117 0.092 0.000 0.985 429 I CA -0.217 61.123 61.300 0.068 0.000 1.221 429 I CB 0.647 38.617 38.000 -0.050 0.000 1.366 429 I HN 0.394 nan 8.210 nan 0.000 0.467 430 L N 6.766 128.063 121.223 0.123 0.000 2.466 430 L HA 0.758 5.099 4.340 0.001 0.000 0.258 430 L C -1.129 175.849 176.870 0.180 0.000 0.973 430 L CA -0.619 54.316 54.840 0.157 0.000 0.826 430 L CB 2.242 44.420 42.059 0.199 0.000 1.372 430 L HN 0.484 nan 8.230 nan 0.000 0.409 431 V N 0.302 120.242 119.914 0.043 0.000 2.962 431 V HA 0.685 4.806 4.120 0.001 0.000 0.313 431 V C -0.750 175.118 176.094 -0.377 0.000 1.099 431 V CA -0.855 61.255 62.300 -0.315 0.000 0.971 431 V CB 2.210 33.615 31.823 -0.697 0.000 1.028 431 V HN 0.733 nan 8.190 nan 0.000 0.430 432 R N 1.278 121.333 120.500 -0.743 0.000 2.621 432 R HA 0.607 4.947 4.340 0.001 0.000 0.292 432 R C -0.641 175.392 176.300 -0.445 0.000 0.969 432 R CA -0.784 54.875 56.100 -0.735 0.000 0.887 432 R CB 1.849 31.373 30.300 -1.294 0.000 1.180 432 R HN 0.816 nan 8.270 nan 0.000 0.450 433 R N 3.936 124.256 120.500 -0.299 0.000 2.441 433 R HA 0.352 4.693 4.340 0.001 0.000 0.284 433 R C -0.540 175.661 176.300 -0.164 0.000 1.070 433 R CA -0.310 55.653 56.100 -0.228 0.000 1.047 433 R CB 0.634 30.811 30.300 -0.204 0.000 1.016 433 R HN 0.359 nan 8.270 nan 0.000 0.477 434 L N 2.582 123.709 121.223 -0.159 0.000 2.362 434 L HA 0.442 4.782 4.340 0.001 0.000 0.275 434 L C -0.384 176.436 176.870 -0.082 0.000 0.998 434 L CA -1.074 53.729 54.840 -0.062 0.000 0.820 434 L CB 1.592 43.623 42.059 -0.047 0.000 1.270 434 L HN 0.529 nan 8.230 nan 0.000 0.415 435 H N 1.484 120.527 119.070 -0.044 0.000 2.488 435 H HA 0.412 4.968 4.556 0.000 0.000 0.347 435 H C -0.027 175.287 175.328 -0.022 0.000 1.174 435 H CA -0.632 55.397 56.048 -0.032 0.000 1.307 435 H CB 0.938 30.682 29.762 -0.030 0.000 1.517 435 H HN 0.481 nan 8.280 nan 0.000 0.554 436 R N 0.000 120.551 120.500 0.085 0.000 2.786 436 R HA 0.000 4.341 4.340 0.001 0.000 0.208 436 R CA 0.000 56.129 56.100 0.048 0.000 0.921 436 R CB 0.000 30.317 30.300 0.028 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535