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 1x7o_1_A DATA FIRST_RESID 18 DATA SEQUENCE RNARFQQWQA LLGNRNKRTR AGEFLVXGVR PISLAVEHGW PVRTLLYDGQ DATA SEQUENCE RELSKWAREL LRTVRTEQIA XAPDLLXELG EKNEAPPEVV AVVEXPADDL DATA SEQUENCE DRIPVREDFL GVLFDRPTSP GNIGSIIRSA DALGAHGLIV AGHAADVYDP DATA SEQUENCE KSVRSSTGSL FSLPAVRVPS PGEVXDWVEA RRAAGTPIVL VGTDEHGDCD DATA SEQUENCE VFDFDFTQPT LLLIGNETAG LSNAWRTLCD YTVSIPXAGS ASSLNAANAA DATA SEQUENCE TAILYEAVRQ RISGRTA 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.331 176.300 0.052 0.000 0.893 18 R CA 0.000 56.051 56.100 -0.081 0.000 0.921 18 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 19 N N 0.096 118.820 118.700 0.040 0.000 2.265 19 N HA -0.066 4.674 4.740 -0.000 0.000 0.231 19 N C 1.353 176.881 175.510 0.030 0.000 1.266 19 N CA 1.144 54.213 53.050 0.032 0.000 0.862 19 N CB 0.792 39.291 38.487 0.018 0.000 1.100 19 N HN 0.449 nan 8.380 nan 0.000 0.439 20 A N 2.855 125.654 122.820 -0.035 0.000 1.972 20 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 20 A C 2.114 179.588 177.584 -0.184 0.000 1.169 20 A CA 1.180 53.171 52.037 -0.077 0.000 0.635 20 A CB -0.256 18.700 19.000 -0.075 0.000 0.810 20 A HN 0.653 nan 8.150 nan 0.000 0.446 21 R N -1.718 118.620 120.500 -0.269 0.000 2.073 21 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 21 R C 2.005 177.786 176.300 -0.865 0.000 1.134 21 R CA 1.556 57.280 56.100 -0.627 0.000 0.952 21 R CB -0.812 29.091 30.300 -0.661 0.000 0.850 21 R HN 0.660 nan 8.270 nan 0.000 0.433 22 F N 2.236 121.887 119.950 -0.497 0.000 2.091 22 F HA -0.274 4.253 4.527 -0.000 0.000 0.299 22 F C 2.368 178.120 175.800 -0.080 0.000 1.103 22 F CA 1.699 59.621 58.000 -0.131 0.000 1.228 22 F CB -0.057 38.963 39.000 0.034 0.000 0.984 22 F HN 0.040 nan 8.300 nan 0.000 0.477 23 Q N -0.458 119.249 119.800 -0.155 0.000 2.224 23 Q HA -0.209 4.131 4.340 -0.000 0.000 0.203 23 Q C 2.184 178.040 176.000 -0.241 0.000 0.970 23 Q CA 1.207 56.902 55.803 -0.180 0.000 0.865 23 Q CB -0.165 28.556 28.738 -0.028 0.000 0.922 23 Q HN 0.506 nan 8.270 nan 0.000 0.445 24 Q N -0.686 118.931 119.800 -0.305 0.000 2.119 24 Q HA -0.142 4.198 4.340 -0.000 0.000 0.201 24 Q C 1.768 177.662 176.000 -0.176 0.000 0.972 24 Q CA 0.989 56.635 55.803 -0.263 0.000 0.847 24 Q CB -0.037 28.495 28.738 -0.344 0.000 0.903 24 Q HN 0.539 nan 8.270 nan 0.000 0.433 25 W N 1.320 122.499 121.300 -0.201 0.000 2.381 25 W HA -0.072 4.588 4.660 -0.000 0.000 0.301 25 W C 2.146 178.501 176.519 -0.274 0.000 1.205 25 W CA 0.551 57.769 57.345 -0.211 0.000 1.285 25 W CB -0.950 28.386 29.460 -0.206 0.000 1.133 25 W HN 0.348 nan 8.180 nan 0.000 0.521 26 Q N 0.390 120.032 119.800 -0.264 0.000 2.096 26 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 26 Q C 2.301 178.240 176.000 -0.101 0.000 0.982 26 Q CA 2.491 58.131 55.803 -0.273 0.000 0.850 26 Q CB -0.357 28.118 28.738 -0.439 0.000 0.901 26 Q HN 0.101 nan 8.270 nan 0.000 0.422 27 A N 0.273 123.043 122.820 -0.084 0.000 2.067 27 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 27 A C 1.859 179.449 177.584 0.010 0.000 1.158 27 A CA 0.760 52.779 52.037 -0.031 0.000 0.661 27 A CB -0.505 18.472 19.000 -0.037 0.000 0.801 27 A HN 0.452 nan 8.150 nan 0.000 0.452 28 L N -0.651 120.593 121.223 0.036 0.000 2.456 28 L HA -0.103 4.237 4.340 -0.000 0.000 0.224 28 L C 1.868 178.784 176.870 0.077 0.000 1.148 28 L CA 0.445 55.331 54.840 0.078 0.000 0.825 28 L CB -0.448 41.684 42.059 0.121 0.000 0.937 28 L HN 0.399 nan 8.230 nan 0.000 0.450 29 L N -1.143 120.108 121.223 0.047 0.000 2.341 29 L HA 0.104 4.444 4.340 -0.000 0.000 0.214 29 L C 1.938 178.831 176.870 0.039 0.000 1.115 29 L CA 0.270 55.137 54.840 0.046 0.000 0.820 29 L CB -0.666 41.411 42.059 0.029 0.000 0.944 29 L HN 0.212 nan 8.230 nan 0.000 0.452 30 G N -0.264 108.555 108.800 0.031 0.000 3.086 30 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.159 30 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.159 30 G C -0.229 174.690 174.900 0.033 0.000 1.654 30 G CA -0.451 44.665 45.100 0.026 0.000 1.078 30 G HN 0.156 nan 8.290 nan 0.000 0.558 31 N N -0.188 118.529 118.700 0.030 0.000 2.374 31 N HA 0.024 4.764 4.740 -0.000 0.000 0.241 31 N C 2.086 177.624 175.510 0.046 0.000 1.262 31 N CA 0.280 53.351 53.050 0.034 0.000 0.880 31 N CB 0.617 39.123 38.487 0.031 0.000 1.105 31 N HN 0.472 nan 8.380 nan 0.000 0.438 32 R N 1.752 122.282 120.500 0.050 0.000 2.096 32 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 32 R C 1.023 177.365 176.300 0.069 0.000 1.127 32 R CA 1.739 57.876 56.100 0.062 0.000 0.968 32 R CB -0.670 29.659 30.300 0.050 0.000 0.861 32 R HN 0.623 nan 8.270 nan 0.000 0.440 33 N N 0.871 119.611 118.700 0.067 0.000 2.166 33 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 33 N C 1.435 176.974 175.510 0.049 0.000 1.019 33 N CA 1.314 54.401 53.050 0.062 0.000 0.856 33 N CB -0.026 38.494 38.487 0.055 0.000 0.993 33 N HN 0.373 nan 8.380 nan 0.000 0.426 34 K N 1.097 121.524 120.400 0.045 0.000 2.057 34 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 34 K C 2.044 178.674 176.600 0.051 0.000 1.049 34 K CA 0.879 57.189 56.287 0.039 0.000 0.931 34 K CB -0.114 32.406 32.500 0.032 0.000 0.714 34 K HN 0.188 nan 8.250 nan 0.000 0.440 35 R N 0.445 120.985 120.500 0.067 0.000 2.081 35 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 35 R C 2.436 178.769 176.300 0.056 0.000 1.131 35 R CA 1.715 57.865 56.100 0.082 0.000 0.960 35 R CB -0.425 29.939 30.300 0.107 0.000 0.856 35 R HN 0.194 nan 8.270 nan 0.000 0.436 36 T N 1.073 115.656 114.554 0.048 0.000 2.737 36 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 36 T C 1.754 176.473 174.700 0.033 0.000 1.038 36 T CA 1.786 63.907 62.100 0.035 0.000 1.144 36 T CB -0.170 68.728 68.868 0.051 0.000 0.866 36 T HN 0.439 nan 8.240 nan 0.000 0.434 37 R N 1.558 122.080 120.500 0.036 0.000 2.115 37 R HA 0.213 4.553 4.340 -0.000 0.000 0.230 37 R C 2.321 178.638 176.300 0.027 0.000 1.111 37 R CA 1.290 57.407 56.100 0.029 0.000 0.976 37 R CB -0.401 29.914 30.300 0.024 0.000 0.870 37 R HN 0.304 nan 8.270 nan 0.000 0.445 38 A N 0.824 123.665 122.820 0.035 0.000 2.169 38 A HA 0.257 4.577 4.320 -0.000 0.000 0.212 38 A C 1.651 179.263 177.584 0.047 0.000 1.153 38 A CA 0.482 52.543 52.037 0.041 0.000 0.756 38 A CB -0.428 18.602 19.000 0.051 0.000 0.813 38 A HN 0.625 nan 8.150 nan 0.000 0.471 39 G N 0.027 108.852 108.800 0.041 0.000 2.249 39 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.273 39 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.273 39 G C -0.177 174.762 174.900 0.066 0.000 1.036 39 G CA 0.735 45.857 45.100 0.036 0.000 0.824 39 G HN 1.191 nan 8.290 nan 0.000 0.504 40 E N -1.408 118.852 120.200 0.099 0.000 2.412 40 E HA 0.795 5.145 4.350 -0.000 0.000 0.279 40 E C -0.539 176.210 176.600 0.248 0.000 0.984 40 E CA -1.352 55.134 56.400 0.143 0.000 0.788 40 E CB 1.669 31.421 29.700 0.087 0.000 1.277 40 E HN 0.943 nan 8.360 nan 0.000 0.455 41 F N -0.636 119.322 119.950 0.012 0.000 2.662 41 F HA 0.655 5.182 4.527 -0.000 0.000 0.312 41 F C -1.998 173.829 175.800 0.046 0.000 1.113 41 F CA -1.534 56.489 58.000 0.038 0.000 0.951 41 F CB 0.716 39.747 39.000 0.052 0.000 1.344 41 F HN 0.296 nan 8.300 nan 0.000 0.462 42 L N 2.706 123.971 121.223 0.070 0.000 2.312 42 L HA 0.723 5.063 4.340 -0.000 0.000 0.281 42 L C 0.072 176.932 176.870 -0.017 0.000 1.070 42 L CA -0.719 54.085 54.840 -0.061 0.000 0.805 42 L CB 1.150 43.205 42.059 -0.006 0.000 1.174 42 L HN 0.679 nan 8.230 nan 0.000 0.434 46 V N 1.015 120.638 119.914 -0.486 0.000 2.324 46 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 46 V C 2.420 178.007 176.094 -0.845 0.000 1.060 46 V CA 2.459 64.276 62.300 -0.806 0.000 1.042 46 V CB -0.661 30.340 31.823 -1.370 0.000 0.650 46 V HN 0.750 nan 8.190 nan 0.000 0.450 47 R N 1.069 121.111 120.500 -0.765 0.000 2.057 47 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 47 R C 0.338 176.548 176.300 -0.150 0.000 1.136 47 R CA 1.841 57.691 56.100 -0.417 0.000 0.952 47 R CB -1.409 28.750 30.300 -0.234 0.000 0.848 47 R HN 0.480 nan 8.270 nan 0.000 0.430 48 P HA -0.145 nan 4.420 nan 0.000 0.215 48 P C 1.141 178.269 177.300 -0.286 0.000 1.153 48 P CA 1.396 64.473 63.100 -0.039 0.000 0.853 48 P CB -0.044 31.696 31.700 0.066 0.000 0.788 49 I N -1.119 119.283 120.570 -0.280 0.000 2.252 49 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 49 I C 2.223 178.187 176.117 -0.256 0.000 1.102 49 I CA 1.419 62.527 61.300 -0.320 0.000 1.385 49 I CB -0.707 37.153 38.000 -0.234 0.000 1.064 49 I HN -0.072 nan 8.210 nan 0.000 0.414 50 S N 0.870 116.497 115.700 -0.121 0.000 2.383 50 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 50 S C 1.989 176.587 174.600 -0.004 0.000 1.030 50 S CA 1.328 59.548 58.200 0.033 0.000 1.002 50 S CB -0.337 63.032 63.200 0.281 0.000 0.829 50 S HN 0.335 nan 8.310 nan 0.000 0.467 51 L N 0.801 121.996 121.223 -0.047 0.000 2.093 51 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 51 L C 2.721 179.517 176.870 -0.124 0.000 1.085 51 L CA 0.994 55.861 54.840 0.045 0.000 0.755 51 L CB -0.617 41.532 42.059 0.149 0.000 0.904 51 L HN 0.310 nan 8.230 nan 0.000 0.435 52 A N -0.250 122.129 122.820 -0.736 0.000 1.877 52 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 52 A C 2.335 179.855 177.584 -0.107 0.000 1.186 52 A CA 1.809 53.358 52.037 -0.814 0.000 0.620 52 A CB -0.825 17.495 19.000 -1.133 0.000 0.822 52 A HN 0.170 nan 8.150 nan 0.000 0.443 53 V N 0.038 119.890 119.914 -0.103 0.000 2.295 53 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 53 V C 2.532 178.655 176.094 0.049 0.000 1.049 53 V CA 2.280 64.582 62.300 0.003 0.000 1.024 53 V CB -0.716 31.096 31.823 -0.018 0.000 0.648 53 V HN 0.740 nan 8.190 nan 0.000 0.447 54 E N -0.438 119.780 120.200 0.030 0.000 2.153 54 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 54 E C 1.633 178.176 176.600 -0.096 0.000 0.988 54 E CA 1.440 57.818 56.400 -0.037 0.000 0.811 54 E CB -0.020 29.634 29.700 -0.077 0.000 0.746 54 E HN 0.795 nan 8.360 nan 0.000 0.466 55 H N -1.775 117.403 119.070 0.181 0.000 2.517 55 H HA 0.264 4.820 4.556 -0.000 0.000 0.282 55 H C 0.705 176.234 175.328 0.334 0.000 1.023 55 H CA 0.529 56.747 56.048 0.283 0.000 1.169 55 H CB 1.120 31.124 29.762 0.404 0.000 1.454 55 H HN 0.305 nan 8.280 nan 0.000 0.556 56 G N -0.049 108.943 108.800 0.320 0.000 2.147 56 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 56 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 56 G C -0.555 174.479 174.900 0.223 0.000 1.005 56 G CA -0.330 44.895 45.100 0.209 0.000 0.713 56 G HN 0.246 nan 8.290 nan 0.000 0.515 57 W N 0.770 122.123 121.300 0.088 0.000 2.356 57 W HA 0.538 5.198 4.660 -0.000 0.000 0.311 57 W C -1.767 174.764 176.519 0.019 0.000 1.328 57 W CA -2.286 55.112 57.345 0.088 0.000 1.251 57 W CB 0.275 29.814 29.460 0.131 0.000 1.280 57 W HN 0.025 nan 8.180 nan 0.000 0.524 58 P HA 0.019 nan 4.420 nan 0.000 0.267 58 P C -0.555 176.789 177.300 0.073 0.000 1.205 58 P CA -0.015 63.140 63.100 0.091 0.000 0.765 58 P CB 0.497 32.229 31.700 0.054 0.000 0.828 59 V N 5.889 125.820 119.914 0.028 0.000 2.350 59 V HA 0.231 4.351 4.120 -0.000 0.000 0.276 59 V C 1.544 177.631 176.094 -0.011 0.000 1.028 59 V CA -0.223 62.065 62.300 -0.020 0.000 0.860 59 V CB 1.064 32.859 31.823 -0.046 0.000 0.990 59 V HN 0.524 nan 8.190 nan 0.000 0.453 60 R N 2.288 122.779 120.500 -0.015 0.000 2.093 60 R HA 0.130 4.469 4.340 -0.000 0.000 0.224 60 R C 0.159 176.466 176.300 0.012 0.000 1.101 60 R CA 0.816 56.924 56.100 0.014 0.000 0.979 60 R CB 0.162 30.485 30.300 0.037 0.000 0.877 60 R HN 0.663 nan 8.270 nan 0.000 0.441 61 T N 0.314 114.846 114.554 -0.036 0.000 2.894 61 T HA 0.414 4.763 4.350 -0.000 0.000 0.309 61 T C -1.703 172.921 174.700 -0.126 0.000 1.208 61 T CA -0.641 61.425 62.100 -0.058 0.000 1.016 61 T CB 2.504 71.327 68.868 -0.076 0.000 1.192 61 T HN -0.171 nan 8.240 nan 0.000 0.491 62 L N 2.715 123.886 121.223 -0.087 0.000 2.376 62 L HA 0.615 4.955 4.340 -0.000 0.000 0.275 62 L C -1.257 175.590 176.870 -0.039 0.000 0.987 62 L CA -0.568 54.228 54.840 -0.075 0.000 0.828 62 L CB 1.211 43.259 42.059 -0.019 0.000 1.249 62 L HN 0.557 nan 8.230 nan 0.000 0.409 63 L N 5.596 126.747 121.223 -0.120 0.000 2.295 63 L HA 0.564 4.904 4.340 -0.000 0.000 0.285 63 L C -0.855 176.027 176.870 0.020 0.000 1.035 63 L CA -0.881 53.884 54.840 -0.125 0.000 0.806 63 L CB 1.032 42.923 42.059 -0.280 0.000 1.214 63 L HN 0.561 nan 8.230 nan 0.000 0.426 64 Y N -0.673 119.582 120.300 -0.075 0.000 2.634 64 Y HA 0.522 5.072 4.550 -0.000 0.000 0.340 64 Y C -0.483 175.397 175.900 -0.033 0.000 1.058 64 Y CA -1.723 56.344 58.100 -0.055 0.000 1.081 64 Y CB 0.708 39.143 38.460 -0.043 0.000 1.295 64 Y HN 0.437 nan 8.280 nan 0.000 0.487 65 D N 0.394 120.850 120.400 0.094 0.000 2.390 65 D HA 0.173 4.813 4.640 -0.000 0.000 0.249 65 D C 0.789 177.093 176.300 0.006 0.000 1.144 65 D CA 0.817 54.825 54.000 0.013 0.000 0.880 65 D CB 1.797 42.625 40.800 0.046 0.000 1.182 65 D HN 0.971 nan 8.370 nan 0.000 0.451 66 G N 2.947 111.694 108.800 -0.088 0.000 2.595 66 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.213 66 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.213 66 G C 0.463 175.361 174.900 -0.004 0.000 1.141 66 G CA -0.038 45.011 45.100 -0.084 0.000 0.806 66 G HN 0.516 nan 8.290 nan 0.000 0.530 67 Q N 1.291 121.089 119.800 -0.003 0.000 2.681 67 Q HA 0.352 4.691 4.340 -0.000 0.000 0.222 67 Q C -0.529 175.487 176.000 0.028 0.000 1.258 67 Q CA -0.242 55.567 55.803 0.010 0.000 1.014 67 Q CB 0.627 29.364 28.738 -0.002 0.000 1.384 67 Q HN 0.191 nan 8.270 nan 0.000 0.570 68 R N 2.086 122.615 120.500 0.047 0.000 2.291 68 R HA -0.016 4.324 4.340 -0.000 0.000 0.333 68 R C 0.711 177.039 176.300 0.047 0.000 1.082 68 R CA -0.040 56.101 56.100 0.068 0.000 0.948 68 R CB 0.308 30.665 30.300 0.095 0.000 1.009 68 R HN 0.670 nan 8.270 nan 0.000 0.460 69 E N 3.027 123.252 120.200 0.042 0.000 1.992 69 E HA -0.172 4.178 4.350 -0.000 0.000 0.202 69 E C -0.229 176.396 176.600 0.040 0.000 1.007 69 E CA 0.029 56.450 56.400 0.035 0.000 0.857 69 E CB -0.137 29.581 29.700 0.030 0.000 0.796 69 E HN 0.163 nan 8.360 nan 0.000 0.486 70 L N 1.614 122.866 121.223 0.047 0.000 3.291 70 L HA -0.175 4.165 4.340 -0.000 0.000 0.659 70 L C -0.079 176.815 176.870 0.040 0.000 1.042 70 L CA 0.791 55.656 54.840 0.042 0.000 1.256 70 L CB -1.840 40.241 42.059 0.036 0.000 1.596 70 L HN 0.499 nan 8.230 nan 0.000 0.819 71 S N 2.120 117.851 115.700 0.052 0.000 2.580 71 S HA 0.173 4.643 4.470 -0.000 0.000 0.261 71 S C 1.465 176.115 174.600 0.084 0.000 1.366 71 S CA 0.107 58.351 58.200 0.073 0.000 0.996 71 S CB 0.721 63.985 63.200 0.107 0.000 0.902 71 S HN 0.540 nan 8.310 nan 0.000 0.566 72 K N -0.364 120.085 120.400 0.082 0.000 2.152 72 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 72 K C 1.768 178.435 176.600 0.113 0.000 1.048 72 K CA 1.347 57.670 56.287 0.060 0.000 0.933 72 K CB -0.246 32.266 32.500 0.020 0.000 0.721 72 K HN 0.779 nan 8.250 nan 0.000 0.447 73 W N 1.530 122.813 121.300 -0.029 0.000 2.378 73 W HA -0.063 4.596 4.660 -0.000 0.000 0.313 73 W C 2.277 178.768 176.519 -0.046 0.000 1.197 73 W CA 1.504 58.829 57.345 -0.033 0.000 1.304 73 W CB -0.748 28.697 29.460 -0.026 0.000 1.148 73 W HN 0.075 nan 8.180 nan 0.000 0.494 74 A N 1.071 124.024 122.820 0.222 0.000 1.883 74 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 74 A C 2.109 179.702 177.584 0.015 0.000 1.186 74 A CA 1.967 54.041 52.037 0.061 0.000 0.624 74 A CB -0.826 18.183 19.000 0.015 0.000 0.822 74 A HN 0.195 nan 8.150 nan 0.000 0.444 75 R N -0.521 119.988 120.500 0.014 0.000 2.091 75 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 75 R C 2.043 178.332 176.300 -0.018 0.000 1.136 75 R CA 1.748 57.829 56.100 -0.032 0.000 0.959 75 R CB -0.759 29.532 30.300 -0.016 0.000 0.856 75 R HN 0.681 nan 8.270 nan 0.000 0.437 76 E N 0.881 121.100 120.200 0.031 0.000 2.072 76 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 76 E C 2.118 178.740 176.600 0.037 0.000 0.985 76 E CA 0.833 57.246 56.400 0.023 0.000 0.801 76 E CB -0.261 29.444 29.700 0.009 0.000 0.750 76 E HN 0.214 nan 8.360 nan 0.000 0.452 77 L N -0.334 120.942 121.223 0.087 0.000 2.042 77 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 77 L C 2.060 178.916 176.870 -0.024 0.000 1.076 77 L CA 0.558 55.426 54.840 0.048 0.000 0.749 77 L CB -0.319 41.766 42.059 0.042 0.000 0.893 77 L HN 0.244 nan 8.230 nan 0.000 0.432 78 L N -0.006 121.175 121.223 -0.071 0.000 2.217 78 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 78 L C 2.455 179.269 176.870 -0.094 0.000 1.107 78 L CA 1.673 56.431 54.840 -0.135 0.000 0.783 78 L CB -0.680 41.213 42.059 -0.277 0.000 0.919 78 L HN 0.361 nan 8.230 nan 0.000 0.442 79 R N -3.369 117.092 120.500 -0.064 0.000 2.362 79 R HA 0.123 4.463 4.340 -0.000 0.000 0.227 79 R C 1.543 177.826 176.300 -0.029 0.000 0.905 79 R CA 0.706 56.779 56.100 -0.046 0.000 1.067 79 R CB -0.428 29.847 30.300 -0.042 0.000 1.078 79 R HN -0.019 nan 8.270 nan 0.000 0.516 80 T N -0.415 114.125 114.554 -0.023 0.000 2.978 80 T HA 0.252 4.602 4.350 -0.000 0.000 0.248 80 T C -0.064 174.630 174.700 -0.010 0.000 1.018 80 T CA -0.063 62.029 62.100 -0.014 0.000 1.026 80 T CB 0.417 69.280 68.868 -0.008 0.000 1.032 80 T HN 0.013 nan 8.240 nan 0.000 0.485 81 V N 3.907 123.813 119.914 -0.014 0.000 2.353 81 V HA 0.420 4.540 4.120 -0.000 0.000 0.264 81 V C -0.003 176.085 176.094 -0.011 0.000 1.049 81 V CA -0.563 61.730 62.300 -0.012 0.000 0.896 81 V CB 0.554 32.365 31.823 -0.020 0.000 1.025 81 V HN 0.264 nan 8.190 nan 0.000 0.475 82 R N 3.301 123.799 120.500 -0.004 0.000 2.441 82 R HA 0.496 4.836 4.340 -0.000 0.000 0.300 82 R C 0.209 176.513 176.300 0.006 0.000 1.284 82 R CA 0.131 56.232 56.100 0.001 0.000 1.069 82 R CB 0.471 30.774 30.300 0.004 0.000 1.087 82 R HN 0.767 nan 8.270 nan 0.000 0.519 83 T N 0.008 114.566 114.554 0.008 0.000 2.693 83 T HA 0.073 4.423 4.350 -0.000 0.000 0.304 83 T C -1.432 173.283 174.700 0.025 0.000 1.471 83 T CA -0.826 61.283 62.100 0.014 0.000 0.993 83 T CB 1.155 70.025 68.868 0.003 0.000 1.554 83 T HN 0.583 nan 8.240 nan 0.000 0.496 84 E N 1.100 121.321 120.200 0.035 0.000 2.376 84 E HA 0.257 4.606 4.350 -0.000 0.000 0.266 84 E C -0.779 175.856 176.600 0.059 0.000 1.009 84 E CA 0.110 56.543 56.400 0.055 0.000 0.902 84 E CB 0.458 30.202 29.700 0.074 0.000 0.972 84 E HN 0.390 nan 8.360 nan 0.000 0.439 85 Q N 4.165 124.019 119.800 0.091 0.000 2.321 85 Q HA 0.488 4.828 4.340 -0.000 0.000 0.270 85 Q C -0.838 175.283 176.000 0.202 0.000 1.032 85 Q CA -0.559 55.337 55.803 0.155 0.000 0.784 85 Q CB 2.013 30.841 28.738 0.150 0.000 1.264 85 Q HN 0.548 nan 8.270 nan 0.000 0.448 86 I N 1.823 122.488 120.570 0.158 0.000 2.478 86 I HA 0.479 4.649 4.170 -0.000 0.000 0.287 86 I C -0.044 175.831 176.117 -0.403 0.000 1.042 86 I CA -0.686 60.606 61.300 -0.013 0.000 1.067 86 I CB 1.798 39.820 38.000 0.037 0.000 1.233 86 I HN 0.657 nan 8.210 nan 0.000 0.431 90 P HA -0.145 nan 4.420 nan 0.000 0.219 90 P C 0.616 177.901 177.300 -0.025 0.000 1.146 90 P CA 2.046 65.128 63.100 -0.030 0.000 0.808 90 P CB -0.067 31.621 31.700 -0.019 0.000 0.779 91 D N -0.412 119.964 120.400 -0.039 0.000 2.234 91 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 91 D C 2.030 178.301 176.300 -0.049 0.000 0.962 91 D CA 0.504 54.482 54.000 -0.036 0.000 0.855 91 D CB -1.184 39.590 40.800 -0.043 0.000 0.951 91 D HN 0.142 nan 8.370 nan 0.000 0.500 92 L N -0.073 121.084 121.223 -0.108 0.000 2.131 92 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 92 L C 1.427 178.346 176.870 0.082 0.000 1.092 92 L CA 0.527 55.262 54.840 -0.176 0.000 0.759 92 L CB -0.543 41.306 42.059 -0.349 0.000 0.903 92 L HN 0.136 nan 8.230 nan 0.000 0.435 96 L N 1.653 122.924 121.223 0.080 0.000 2.409 96 L HA 0.794 5.134 4.340 -0.000 0.000 0.272 96 L C -0.217 176.672 176.870 0.032 0.000 0.980 96 L CA 0.255 55.124 54.840 0.048 0.000 0.826 96 L CB 1.250 43.332 42.059 0.038 0.000 1.268 96 L HN 0.694 nan 8.230 nan 0.000 0.407 97 G N 3.595 112.411 108.800 0.026 0.000 3.265 97 G HA2 0.483 4.443 3.960 -0.000 0.000 0.171 97 G HA3 0.483 4.443 3.960 -0.000 0.000 0.171 97 G C -1.360 173.548 174.900 0.013 0.000 1.110 97 G CA -0.152 44.957 45.100 0.015 0.000 0.855 97 G HN 0.438 nan 8.290 nan 0.000 0.658 98 E N 0.744 120.950 120.200 0.010 0.000 2.642 98 E HA 0.352 4.702 4.350 -0.000 0.000 0.284 98 E C -1.112 175.493 176.600 0.009 0.000 1.039 98 E CA -0.470 55.936 56.400 0.009 0.000 0.777 98 E CB 1.573 31.276 29.700 0.004 0.000 1.473 98 E HN 0.350 nan 8.360 nan 0.000 0.388 99 K N 1.900 122.307 120.400 0.012 0.000 2.578 99 K HA -0.132 4.188 4.320 -0.000 0.000 0.279 99 K C 0.383 176.988 176.600 0.008 0.000 0.983 99 K CA 0.701 56.995 56.287 0.013 0.000 1.078 99 K CB -0.081 32.428 32.500 0.015 0.000 0.852 99 K HN 0.557 nan 8.250 nan 0.000 0.490 100 N N 1.584 120.288 118.700 0.008 0.000 2.741 100 N HA -0.222 4.517 4.740 -0.000 0.000 0.250 100 N C -1.139 174.373 175.510 0.003 0.000 1.115 100 N CA 0.800 53.853 53.050 0.005 0.000 0.724 100 N CB -0.392 38.097 38.487 0.005 0.000 1.090 100 N HN 0.627 nan 8.380 nan 0.000 0.558 101 E N 0.032 120.234 120.200 0.003 0.000 2.759 101 E HA 0.422 4.772 4.350 -0.000 0.000 0.318 101 E C -0.874 175.725 176.600 -0.002 0.000 1.093 101 E CA 0.310 56.710 56.400 0.000 0.000 0.762 101 E CB 1.122 30.822 29.700 -0.000 0.000 1.543 101 E HN 0.402 nan 8.360 nan 0.000 0.381 102 A N 3.329 126.147 122.820 -0.004 0.000 2.102 102 A HA -0.081 4.239 4.320 -0.000 0.000 0.249 102 A C -2.632 174.948 177.584 -0.007 0.000 1.348 102 A CA -0.519 51.512 52.037 -0.009 0.000 0.694 102 A CB -1.133 17.858 19.000 -0.015 0.000 1.175 102 A HN 0.285 nan 8.150 nan 0.000 0.287 103 P HA 0.433 nan 4.420 nan 0.000 0.287 103 P C -2.306 174.988 177.300 -0.010 0.000 1.307 103 P CA -1.016 62.083 63.100 -0.002 0.000 0.777 103 P CB 0.335 32.037 31.700 0.002 0.000 0.883 104 P HA 0.087 nan 4.420 nan 0.000 0.271 104 P C 0.653 177.938 177.300 -0.024 0.000 1.216 104 P CA 0.033 63.115 63.100 -0.031 0.000 0.771 104 P CB 1.414 33.093 31.700 -0.035 0.000 0.864 105 E N 2.007 122.188 120.200 -0.032 0.000 2.230 105 E HA 0.056 4.405 4.350 -0.000 0.000 0.192 105 E C -0.399 176.203 176.600 0.003 0.000 0.987 105 E CA 0.421 56.816 56.400 -0.009 0.000 0.841 105 E CB 0.331 30.025 29.700 -0.010 0.000 0.783 105 E HN 0.226 nan 8.360 nan 0.000 0.481 106 V N 1.022 120.913 119.914 -0.038 0.000 2.888 106 V HA 0.393 4.513 4.120 -0.000 0.000 0.309 106 V C -0.937 175.106 176.094 -0.085 0.000 1.114 106 V CA -0.971 61.306 62.300 -0.039 0.000 0.940 106 V CB 2.197 33.984 31.823 -0.060 0.000 1.021 106 V HN -0.031 nan 8.190 nan 0.000 0.426 107 V N 2.327 122.181 119.914 -0.101 0.000 2.686 107 V HA 0.868 4.988 4.120 -0.000 0.000 0.306 107 V C -0.017 175.961 176.094 -0.194 0.000 1.065 107 V CA -0.493 61.721 62.300 -0.143 0.000 0.894 107 V CB 1.960 33.697 31.823 -0.145 0.000 1.004 107 V HN 1.095 nan 8.190 nan 0.000 0.424 108 A N 3.852 126.548 122.820 -0.207 0.000 2.324 108 A HA 0.853 5.173 4.320 -0.000 0.000 0.330 108 A C -0.648 176.767 177.584 -0.282 0.000 1.165 108 A CA -0.587 51.310 52.037 -0.234 0.000 0.813 108 A CB 1.566 20.436 19.000 -0.215 0.000 1.197 108 A HN 0.739 nan 8.150 nan 0.000 0.484 109 V N 3.233 122.977 119.914 -0.284 0.000 2.348 109 V HA 0.332 4.452 4.120 -0.000 0.000 0.270 109 V C -0.154 175.812 176.094 -0.213 0.000 1.037 109 V CA -0.240 61.910 62.300 -0.249 0.000 0.872 109 V CB 0.682 32.388 31.823 -0.195 0.000 1.002 109 V HN 0.587 nan 8.190 nan 0.000 0.464 110 V N 4.428 124.136 119.914 -0.344 0.000 2.513 110 V HA 0.388 4.508 4.120 -0.000 0.000 0.299 110 V C 0.370 176.374 176.094 -0.150 0.000 1.035 110 V CA -0.697 61.424 62.300 -0.298 0.000 0.889 110 V CB 1.881 33.395 31.823 -0.514 0.000 0.988 110 V HN 0.941 nan 8.190 nan 0.000 0.440 114 A N 0.573 123.368 122.820 -0.042 0.000 2.561 114 A HA 0.217 4.537 4.320 -0.000 0.000 0.234 114 A C 0.284 177.865 177.584 -0.006 0.000 1.055 114 A CA 0.324 52.351 52.037 -0.017 0.000 0.756 114 A CB -0.298 18.690 19.000 -0.020 0.000 0.986 114 A HN 0.416 nan 8.150 nan 0.000 0.505 115 D N 1.622 122.025 120.400 0.005 0.000 2.608 115 D HA 0.163 4.803 4.640 -0.000 0.000 0.224 115 D C -0.751 175.525 176.300 -0.039 0.000 1.123 115 D CA 0.594 54.590 54.000 -0.007 0.000 1.030 115 D CB 0.269 41.071 40.800 0.004 0.000 1.093 115 D HN 0.531 nan 8.370 nan 0.000 0.497 116 D N 0.994 121.362 120.400 -0.054 0.000 2.425 116 D HA 0.119 4.759 4.640 -0.000 0.000 0.240 116 D C 1.222 177.437 176.300 -0.141 0.000 1.080 116 D CA -0.631 53.327 54.000 -0.070 0.000 0.836 116 D CB 1.236 42.017 40.800 -0.031 0.000 1.125 116 D HN 0.014 nan 8.370 nan 0.000 0.525 117 L N 2.435 123.495 121.223 -0.272 0.000 2.261 117 L HA -0.103 4.237 4.340 -0.000 0.000 0.216 117 L C 1.010 177.645 176.870 -0.390 0.000 1.114 117 L CA 0.811 55.284 54.840 -0.612 0.000 0.777 117 L CB -0.090 41.201 42.059 -1.280 0.000 0.910 117 L HN 0.437 nan 8.230 nan 0.000 0.440 118 D N -0.139 120.231 120.400 -0.051 0.000 2.348 118 D HA -0.092 4.548 4.640 -0.000 0.000 0.216 118 D C 2.118 178.479 176.300 0.102 0.000 0.970 118 D CA 0.561 54.658 54.000 0.161 0.000 0.889 118 D CB -0.016 40.875 40.800 0.153 0.000 0.912 118 D HN 0.232 nan 8.370 nan 0.000 0.524 119 R N -0.065 120.450 120.500 0.025 0.000 2.241 119 R HA 0.046 4.386 4.340 -0.000 0.000 0.224 119 R C 0.492 176.839 176.300 0.078 0.000 1.101 119 R CA 0.457 56.577 56.100 0.033 0.000 0.995 119 R CB 0.051 30.348 30.300 -0.006 0.000 0.870 119 R HN 0.199 nan 8.270 nan 0.000 0.463 120 I N 3.446 124.074 120.570 0.096 0.000 2.301 120 I HA 0.157 4.327 4.170 -0.000 0.000 0.292 120 I C -2.032 174.283 176.117 0.330 0.000 1.046 120 I CA -2.364 59.061 61.300 0.208 0.000 1.282 120 I CB 1.130 39.242 38.000 0.186 0.000 1.409 120 I HN -0.184 nan 8.210 nan 0.000 0.484 121 P HA 0.141 nan 4.420 nan 0.000 0.276 121 P C -0.700 176.756 177.300 0.261 0.000 1.230 121 P CA -0.161 63.064 63.100 0.209 0.000 0.776 121 P CB 1.501 33.275 31.700 0.123 0.000 0.888 122 V N 5.247 125.255 119.914 0.156 0.000 2.349 122 V HA 0.374 4.494 4.120 -0.000 0.000 0.284 122 V C 0.639 176.738 176.094 0.008 0.000 1.014 122 V CA -0.422 61.920 62.300 0.071 0.000 0.826 122 V CB 0.837 32.537 31.823 -0.205 0.000 1.009 122 V HN 0.525 nan 8.190 nan 0.000 0.431 123 R N 2.196 122.718 120.500 0.037 0.000 2.923 123 R HA 0.429 4.769 4.340 -0.000 0.000 0.252 123 R C 1.224 177.554 176.300 0.050 0.000 1.130 123 R CA -0.813 55.289 56.100 0.004 0.000 1.043 123 R CB 1.382 31.658 30.300 -0.040 0.000 1.205 123 R HN 0.721 nan 8.270 nan 0.000 0.495 124 E N 1.051 121.270 120.200 0.032 0.000 2.208 124 E HA -0.257 4.092 4.350 -0.000 0.000 0.202 124 E C 0.258 176.915 176.600 0.095 0.000 1.014 124 E CA 1.675 58.104 56.400 0.049 0.000 0.819 124 E CB -0.221 29.497 29.700 0.030 0.000 0.735 124 E HN 0.640 nan 8.360 nan 0.000 0.469 125 D N 0.206 120.672 120.400 0.111 0.000 2.615 125 D HA -0.010 4.630 4.640 -0.000 0.000 0.236 125 D C -0.125 176.343 176.300 0.280 0.000 1.233 125 D CA -0.890 53.207 54.000 0.162 0.000 0.829 125 D CB -1.117 39.764 40.800 0.134 0.000 1.024 125 D HN 0.012 nan 8.370 nan 0.000 0.490 126 F N 1.411 121.434 119.950 0.122 0.000 2.623 126 F HA 0.125 4.652 4.527 -0.000 0.000 0.386 126 F C -0.379 175.612 175.800 0.318 0.000 1.068 126 F CA 0.188 58.321 58.000 0.222 0.000 1.265 126 F CB 0.501 39.580 39.000 0.131 0.000 1.026 126 F HN 0.068 nan 8.300 nan 0.000 0.568 127 L N 6.962 127.947 121.223 -0.398 0.000 2.457 127 L HA 0.572 4.911 4.340 -0.000 0.000 0.266 127 L C -0.346 176.008 176.870 -0.862 0.000 0.979 127 L CA -0.245 54.276 54.840 -0.533 0.000 0.857 127 L CB 0.942 42.786 42.059 -0.358 0.000 1.213 127 L HN 0.831 nan 8.230 nan 0.000 0.418 128 G N 3.262 111.573 108.800 -0.816 0.000 2.569 128 G HA2 0.703 4.663 3.960 -0.000 0.000 0.300 128 G HA3 0.703 4.663 3.960 -0.000 0.000 0.300 128 G C -1.550 173.292 174.900 -0.096 0.000 1.269 128 G CA -0.442 44.444 45.100 -0.358 0.000 0.959 128 G HN 0.283 nan 8.290 nan 0.000 0.478 129 V N 0.318 120.199 119.914 -0.055 0.000 2.735 129 V HA 0.645 4.765 4.120 -0.000 0.000 0.310 129 V C -0.613 175.450 176.094 -0.050 0.000 1.061 129 V CA -0.747 61.505 62.300 -0.080 0.000 0.913 129 V CB 1.775 33.515 31.823 -0.139 0.000 1.005 129 V HN 0.725 nan 8.190 nan 0.000 0.428 130 L N 4.104 125.272 121.223 -0.092 0.000 2.385 130 L HA 0.665 5.004 4.340 -0.000 0.000 0.273 130 L C -1.756 175.062 176.870 -0.086 0.000 0.990 130 L CA -0.440 54.331 54.840 -0.114 0.000 0.821 130 L CB 1.756 43.661 42.059 -0.257 0.000 1.279 130 L HN 0.609 nan 8.230 nan 0.000 0.412 131 F N 4.132 123.967 119.950 -0.191 0.000 2.347 131 F HA 0.309 4.836 4.527 -0.000 0.000 0.366 131 F C -0.231 175.486 175.800 -0.140 0.000 1.107 131 F CA -1.470 56.434 58.000 -0.160 0.000 1.058 131 F CB 1.000 39.925 39.000 -0.125 0.000 1.236 131 F HN 0.488 nan 8.300 nan 0.000 0.456 132 D N 5.615 126.063 120.400 0.080 0.000 2.374 132 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 132 D C 0.235 176.508 176.300 -0.044 0.000 1.229 132 D CA 0.224 54.229 54.000 0.007 0.000 0.895 132 D CB 0.122 40.909 40.800 -0.022 0.000 1.046 132 D HN 0.636 nan 8.370 nan 0.000 0.498 133 R N 1.990 122.433 120.500 -0.094 0.000 3.205 133 R HA -0.123 4.217 4.340 -0.000 0.000 0.249 133 R C -2.160 173.978 176.300 -0.271 0.000 0.937 133 R CA 0.503 56.525 56.100 -0.129 0.000 0.641 133 R CB -1.586 28.704 30.300 -0.015 0.000 1.114 133 R HN 0.494 nan 8.270 nan 0.000 0.451 134 P HA -0.034 nan 4.420 nan 0.000 0.268 134 P C 0.422 177.517 177.300 -0.342 0.000 1.205 134 P CA 0.195 62.852 63.100 -0.739 0.000 0.771 134 P CB 1.034 31.915 31.700 -1.365 0.000 0.858 135 T N 0.299 114.723 114.554 -0.215 0.000 2.896 135 T HA -0.031 4.319 4.350 -0.000 0.000 0.263 135 T C 0.998 175.641 174.700 -0.095 0.000 1.050 135 T CA 1.167 63.199 62.100 -0.113 0.000 1.140 135 T CB -0.051 68.783 68.868 -0.058 0.000 0.877 135 T HN 0.531 nan 8.240 nan 0.000 0.457 136 S N 1.946 117.593 115.700 -0.089 0.000 2.474 136 S HA 0.315 4.785 4.470 -0.000 0.000 0.321 136 S C -1.896 172.674 174.600 -0.049 0.000 1.080 136 S CA -1.895 56.280 58.200 -0.042 0.000 1.106 136 S CB 1.633 64.835 63.200 0.002 0.000 0.984 136 S HN -0.061 nan 8.310 nan 0.000 0.464 137 P HA -0.021 nan 4.420 nan 0.000 0.218 137 P C 1.636 178.921 177.300 -0.026 0.000 1.148 137 P CA 1.443 64.510 63.100 -0.054 0.000 0.822 137 P CB -0.357 31.312 31.700 -0.052 0.000 0.784 138 G N 0.483 109.276 108.800 -0.012 0.000 2.469 138 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 138 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 138 G C 1.604 176.516 174.900 0.019 0.000 1.150 138 G CA 0.692 45.789 45.100 -0.005 0.000 0.763 138 G HN 0.225 nan 8.290 nan 0.000 0.561 139 N N 0.637 119.378 118.700 0.069 0.000 2.166 139 N HA -0.046 4.694 4.740 -0.000 0.000 0.186 139 N C 2.244 177.876 175.510 0.203 0.000 1.019 139 N CA 0.792 53.928 53.050 0.144 0.000 0.856 139 N CB -0.241 38.419 38.487 0.289 0.000 0.993 139 N HN 0.387 nan 8.380 nan 0.000 0.426 140 I N 0.551 121.262 120.570 0.234 0.000 2.142 140 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 140 I C 2.460 178.585 176.117 0.013 0.000 1.078 140 I CA 1.431 62.847 61.300 0.193 0.000 1.343 140 I CB -0.713 37.308 38.000 0.034 0.000 1.046 140 I HN 0.138 nan 8.210 nan 0.000 0.405 141 G N -0.319 108.458 108.800 -0.040 0.000 2.422 141 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 141 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 141 G C 1.782 176.633 174.900 -0.081 0.000 1.146 141 G CA 0.969 46.017 45.100 -0.088 0.000 0.769 141 G HN 0.329 nan 8.290 nan 0.000 0.547 142 S N 0.226 115.890 115.700 -0.059 0.000 2.368 142 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 142 S C 2.292 176.832 174.600 -0.100 0.000 1.030 142 S CA 0.773 58.930 58.200 -0.071 0.000 0.999 142 S CB -0.205 62.959 63.200 -0.059 0.000 0.844 142 S HN 0.384 nan 8.310 nan 0.000 0.459 143 I N 1.120 121.616 120.570 -0.124 0.000 2.286 143 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 143 I C 1.968 177.999 176.117 -0.142 0.000 1.115 143 I CA 1.092 62.285 61.300 -0.178 0.000 1.392 143 I CB -0.360 37.462 38.000 -0.296 0.000 1.065 143 I HN 0.267 nan 8.210 nan 0.000 0.418 144 I N 0.454 120.952 120.570 -0.119 0.000 2.208 144 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 144 I C 2.811 178.859 176.117 -0.115 0.000 1.097 144 I CA 1.381 62.608 61.300 -0.122 0.000 1.363 144 I CB -0.398 37.515 38.000 -0.145 0.000 1.051 144 I HN 0.229 nan 8.210 nan 0.000 0.413 145 R N 0.628 121.064 120.500 -0.107 0.000 2.066 145 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 145 R C 2.416 178.666 176.300 -0.082 0.000 1.131 145 R CA 1.947 57.994 56.100 -0.089 0.000 0.955 145 R CB -0.132 30.122 30.300 -0.076 0.000 0.851 145 R HN 0.174 nan 8.270 nan 0.000 0.432 146 S N 0.450 116.095 115.700 -0.093 0.000 2.368 146 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 146 S C 1.968 176.506 174.600 -0.103 0.000 1.030 146 S CA 1.157 59.302 58.200 -0.092 0.000 0.999 146 S CB -0.194 62.943 63.200 -0.105 0.000 0.844 146 S HN 0.576 nan 8.310 nan 0.000 0.459 147 A N 1.519 124.266 122.820 -0.122 0.000 1.902 147 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 147 A C 1.881 179.393 177.584 -0.121 0.000 1.181 147 A CA 1.959 53.914 52.037 -0.137 0.000 0.623 147 A CB -0.839 18.075 19.000 -0.143 0.000 0.818 147 A HN 0.495 nan 8.150 nan 0.000 0.443 148 D N -0.059 120.285 120.400 -0.094 0.000 2.092 148 D HA -0.072 4.568 4.640 -0.000 0.000 0.193 148 D C 2.000 178.267 176.300 -0.055 0.000 0.994 148 D CA 1.907 55.867 54.000 -0.068 0.000 0.828 148 D CB -0.250 40.513 40.800 -0.062 0.000 0.963 148 D HN 0.321 nan 8.370 nan 0.000 0.450 149 A N -0.383 122.405 122.820 -0.054 0.000 2.015 149 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 149 A C 2.139 179.698 177.584 -0.041 0.000 1.163 149 A CA 0.772 52.787 52.037 -0.036 0.000 0.646 149 A CB -0.412 18.569 19.000 -0.032 0.000 0.806 149 A HN 0.383 nan 8.150 nan 0.000 0.448 150 L N -1.454 119.729 121.223 -0.066 0.000 2.700 150 L HA 0.300 4.640 4.340 -0.000 0.000 0.234 150 L C 1.451 178.253 176.870 -0.114 0.000 1.156 150 L CA 0.466 55.262 54.840 -0.073 0.000 0.946 150 L CB 0.238 42.251 42.059 -0.075 0.000 1.216 150 L HN 0.537 nan 8.230 nan 0.000 0.493 151 G N 0.038 108.763 108.800 -0.125 0.000 2.157 151 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 151 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 151 G C 0.496 175.174 174.900 -0.369 0.000 0.979 151 G CA 0.002 44.998 45.100 -0.173 0.000 0.650 151 G HN 0.482 nan 8.290 nan 0.000 0.529 152 A N -0.649 121.959 122.820 -0.354 0.000 2.448 152 A HA 0.578 4.898 4.320 -0.000 0.000 0.239 152 A C 0.809 178.126 177.584 -0.446 0.000 1.080 152 A CA 1.285 53.033 52.037 -0.481 0.000 0.779 152 A CB 0.163 18.982 19.000 -0.302 0.000 1.026 152 A HN 0.728 nan 8.150 nan 0.000 0.499 153 H N -0.254 118.728 119.070 -0.146 0.000 2.740 153 H HA 0.450 5.006 4.556 -0.000 0.000 0.265 153 H C 0.824 176.162 175.328 0.016 0.000 0.978 153 H CA 0.561 56.583 56.048 -0.044 0.000 1.198 153 H CB 0.733 30.491 29.762 -0.005 0.000 1.467 153 H HN 0.934 nan 8.280 nan 0.000 0.511 154 G N 0.243 109.074 108.800 0.052 0.000 2.387 154 G HA2 0.372 4.332 3.960 -0.000 0.000 0.294 154 G HA3 0.372 4.332 3.960 -0.000 0.000 0.294 154 G C -2.345 172.558 174.900 0.006 0.000 1.509 154 G CA -0.921 44.217 45.100 0.062 0.000 0.806 154 G HN 0.076 nan 8.290 nan 0.000 0.546 155 L N 0.432 121.648 121.223 -0.011 0.000 2.365 155 L HA 0.853 5.192 4.340 -0.000 0.000 0.273 155 L C -0.751 176.100 176.870 -0.032 0.000 1.000 155 L CA -0.858 53.964 54.840 -0.030 0.000 0.819 155 L CB 1.553 43.580 42.059 -0.055 0.000 1.284 155 L HN 0.486 nan 8.230 nan 0.000 0.418 156 I N 5.166 125.721 120.570 -0.024 0.000 2.377 156 I HA 0.451 4.621 4.170 -0.000 0.000 0.293 156 I C -0.780 175.328 176.117 -0.016 0.000 0.987 156 I CA -0.827 60.450 61.300 -0.038 0.000 1.185 156 I CB 1.845 39.827 38.000 -0.031 0.000 1.341 156 I HN 0.261 nan 8.210 nan 0.000 0.455 157 V N 5.866 125.759 119.914 -0.035 0.000 2.357 157 V HA 0.592 4.712 4.120 -0.000 0.000 0.284 157 V C 0.321 176.390 176.094 -0.042 0.000 1.018 157 V CA -0.572 61.704 62.300 -0.040 0.000 0.841 157 V CB 1.340 33.106 31.823 -0.094 0.000 0.991 157 V HN 0.832 nan 8.190 nan 0.000 0.437 158 A N 3.969 126.792 122.820 0.005 0.000 2.310 158 A HA 0.952 5.272 4.320 -0.000 0.000 0.299 158 A C 0.638 178.234 177.584 0.019 0.000 1.147 158 A CA 0.374 52.457 52.037 0.077 0.000 0.818 158 A CB 0.755 19.921 19.000 0.276 0.000 1.096 158 A HN 2.058 nan 8.150 nan 0.000 0.495 159 G N 0.527 109.336 108.800 0.014 0.000 2.655 159 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.680 159 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.680 159 G C -0.415 174.413 174.900 -0.120 0.000 1.302 159 G CA -0.355 44.756 45.100 0.018 0.000 0.872 159 G HN 1.079 nan 8.290 nan 0.000 0.540 160 H N 0.732 119.794 119.070 -0.014 0.000 2.505 160 H HA 0.550 5.106 4.556 -0.000 0.000 0.260 160 H C 1.092 176.401 175.328 -0.032 0.000 1.232 160 H CA 0.634 56.670 56.048 -0.019 0.000 0.991 160 H CB 0.304 30.061 29.762 -0.009 0.000 1.729 160 H HN 0.817 nan 8.280 nan 0.000 0.561 161 A N 0.842 123.651 122.820 -0.017 0.000 3.563 161 A HA 0.718 5.038 4.320 -0.000 0.000 0.195 161 A C 0.537 178.073 177.584 -0.079 0.000 1.891 161 A CA 0.250 52.260 52.037 -0.045 0.000 1.864 161 A CB -0.540 18.411 19.000 -0.081 0.000 1.323 161 A HN 0.359 nan 8.150 nan 0.000 0.390 162 A N 0.049 122.791 122.820 -0.131 0.000 2.371 162 A HA 0.492 4.812 4.320 -0.000 0.000 0.257 162 A C -0.736 176.758 177.584 -0.151 0.000 1.089 162 A CA 0.100 52.058 52.037 -0.131 0.000 0.794 162 A CB -0.021 18.885 19.000 -0.156 0.000 1.029 162 A HN 0.561 nan 8.150 nan 0.000 0.488 163 D N 1.305 121.631 120.400 -0.123 0.000 2.256 163 D HA 0.382 5.022 4.640 -0.000 0.000 0.246 163 D C 1.015 177.195 176.300 -0.200 0.000 1.042 163 D CA -0.462 53.458 54.000 -0.134 0.000 0.841 163 D CB 1.611 42.377 40.800 -0.056 0.000 1.223 163 D HN 0.077 nan 8.370 nan 0.000 0.470 164 V N 3.471 123.188 119.914 -0.329 0.000 2.317 164 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 164 V C 1.126 176.843 176.094 -0.629 0.000 1.065 164 V CA 1.746 63.721 62.300 -0.540 0.000 1.049 164 V CB -0.767 30.555 31.823 -0.834 0.000 0.651 164 V HN 0.640 nan 8.190 nan 0.000 0.450 165 Y N -0.946 119.201 120.300 -0.255 0.000 2.461 165 Y HA 0.257 4.807 4.550 -0.000 0.000 0.277 165 Y C 1.049 176.862 175.900 -0.145 0.000 1.182 165 Y CA -0.976 56.906 58.100 -0.363 0.000 1.276 165 Y CB -0.344 37.813 38.460 -0.505 0.000 1.087 165 Y HN 0.206 nan 8.280 nan 0.000 0.519 166 D N 1.650 122.041 120.400 -0.015 0.000 2.488 166 D HA -0.041 4.599 4.640 -0.000 0.000 0.238 166 D C -1.717 174.598 176.300 0.024 0.000 1.138 166 D CA -1.240 52.768 54.000 0.012 0.000 0.873 166 D CB 1.624 42.409 40.800 -0.026 0.000 1.183 166 D HN 0.057 nan 8.370 nan 0.000 0.458 167 P HA -0.169 nan 4.420 nan 0.000 0.217 167 P C 0.950 178.263 177.300 0.022 0.000 1.151 167 P CA 1.708 64.844 63.100 0.061 0.000 0.849 167 P CB 0.232 31.966 31.700 0.056 0.000 0.787 168 K N -0.811 119.592 120.400 0.004 0.000 2.097 168 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 168 K C 2.372 178.953 176.600 -0.031 0.000 1.050 168 K CA 1.509 57.789 56.287 -0.011 0.000 0.938 168 K CB -0.620 31.873 32.500 -0.012 0.000 0.718 168 K HN 0.087 nan 8.250 nan 0.000 0.442 169 S N 0.681 116.350 115.700 -0.051 0.000 2.345 169 S HA -0.111 4.359 4.470 -0.000 0.000 0.220 169 S C 2.075 176.610 174.600 -0.109 0.000 1.031 169 S CA 1.074 59.221 58.200 -0.089 0.000 0.996 169 S CB -0.262 62.856 63.200 -0.136 0.000 0.882 169 S HN 0.066 nan 8.310 nan 0.000 0.445 170 V N 2.257 122.114 119.914 -0.094 0.000 2.250 170 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 170 V C 2.748 178.806 176.094 -0.060 0.000 1.060 170 V CA 2.525 64.775 62.300 -0.083 0.000 1.030 170 V CB -0.871 30.993 31.823 0.069 0.000 0.643 170 V HN 0.495 nan 8.190 nan 0.000 0.445 171 R N -0.226 120.261 120.500 -0.022 0.000 2.073 171 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 171 R C 2.590 178.869 176.300 -0.035 0.000 1.134 171 R CA 1.851 57.941 56.100 -0.017 0.000 0.952 171 R CB -0.489 29.807 30.300 -0.007 0.000 0.850 171 R HN 0.452 nan 8.270 nan 0.000 0.433 172 S N -0.165 115.508 115.700 -0.045 0.000 2.382 172 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 172 S C 1.806 176.367 174.600 -0.066 0.000 1.027 172 S CA 1.464 59.634 58.200 -0.049 0.000 0.991 172 S CB -0.215 62.957 63.200 -0.047 0.000 0.823 172 S HN 0.653 nan 8.310 nan 0.000 0.469 173 S N 0.475 116.116 115.700 -0.097 0.000 2.469 173 S HA -0.075 4.395 4.470 -0.000 0.000 0.238 173 S C 0.783 175.326 174.600 -0.096 0.000 0.998 173 S CA 1.153 59.277 58.200 -0.125 0.000 0.957 173 S CB -0.902 62.172 63.200 -0.210 0.000 0.764 173 S HN 0.402 nan 8.310 nan 0.000 0.514 174 T N 1.142 115.658 114.554 -0.062 0.000 3.946 174 T HA -0.087 4.263 4.350 -0.000 0.000 0.356 174 T C 1.171 175.872 174.700 0.002 0.000 0.758 174 T CA 0.997 63.083 62.100 -0.023 0.000 1.911 174 T CB -2.356 66.501 68.868 -0.018 0.000 1.835 174 T HN 1.773 nan 8.240 nan 0.000 0.807 175 G N -0.652 108.148 108.800 -0.001 0.000 2.225 175 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 175 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 175 G C 1.080 175.968 174.900 -0.020 0.000 0.988 175 G CA 0.663 45.836 45.100 0.121 0.000 0.625 175 G HN 0.755 nan 8.290 nan 0.000 0.527 176 S N -0.134 115.490 115.700 -0.126 0.000 2.453 176 S HA 0.027 4.497 4.470 -0.000 0.000 0.231 176 S C 2.223 176.668 174.600 -0.258 0.000 1.005 176 S CA 1.320 59.430 58.200 -0.149 0.000 0.949 176 S CB -0.118 63.015 63.200 -0.112 0.000 0.774 176 S HN 0.742 nan 8.310 nan 0.000 0.510 177 L N 1.159 122.104 121.223 -0.463 0.000 2.089 177 L HA -0.125 4.215 4.340 -0.000 0.000 0.213 177 L C 1.380 177.920 176.870 -0.550 0.000 1.079 177 L CA 1.941 56.420 54.840 -0.601 0.000 0.758 177 L CB -0.740 40.752 42.059 -0.945 0.000 0.891 177 L HN 0.264 nan 8.230 nan 0.000 0.433 178 F N -1.152 118.627 119.950 -0.286 0.000 2.615 178 F HA 0.056 4.583 4.527 -0.000 0.000 0.297 178 F C 2.448 178.168 175.800 -0.134 0.000 1.124 178 F CA 0.744 58.530 58.000 -0.357 0.000 1.451 178 F CB -0.901 37.771 39.000 -0.547 0.000 1.103 178 F HN 0.289 nan 8.300 nan 0.000 0.569 179 S N -1.248 114.334 115.700 -0.198 0.000 2.505 179 S HA 0.230 4.700 4.470 -0.000 0.000 0.216 179 S C 0.360 174.962 174.600 0.004 0.000 1.018 179 S CA -0.202 57.846 58.200 -0.252 0.000 0.911 179 S CB 0.202 63.177 63.200 -0.376 0.000 0.818 179 S HN 0.126 nan 8.310 nan 0.000 0.497 180 L N 3.648 124.877 121.223 0.010 0.000 2.294 180 L HA 0.546 4.886 4.340 -0.000 0.000 0.283 180 L C -3.060 173.853 176.870 0.071 0.000 1.015 180 L CA -2.055 52.800 54.840 0.025 0.000 0.831 180 L CB 1.490 43.526 42.059 -0.037 0.000 1.217 180 L HN -0.025 nan 8.230 nan 0.000 0.420 181 P HA 0.127 nan 4.420 nan 0.000 0.265 181 P C -0.990 176.337 177.300 0.044 0.000 1.222 181 P CA 0.013 63.173 63.100 0.099 0.000 0.767 181 P CB 0.623 32.378 31.700 0.092 0.000 0.801 182 A N 3.882 126.723 122.820 0.035 0.000 2.304 182 A HA 0.592 4.912 4.320 -0.000 0.000 0.314 182 A C -0.700 176.858 177.584 -0.043 0.000 1.187 182 A CA -0.586 51.426 52.037 -0.041 0.000 0.810 182 A CB 0.950 19.880 19.000 -0.116 0.000 1.183 182 A HN 0.328 nan 8.150 nan 0.000 0.487 183 V N 3.409 123.283 119.914 -0.067 0.000 2.540 183 V HA 0.480 4.600 4.120 -0.000 0.000 0.302 183 V C -0.018 176.028 176.094 -0.080 0.000 1.035 183 V CA -0.707 61.552 62.300 -0.069 0.000 0.873 183 V CB 1.842 33.595 31.823 -0.117 0.000 0.992 183 V HN 0.967 nan 8.190 nan 0.000 0.428 184 R N 2.790 123.253 120.500 -0.061 0.000 2.368 184 R HA 0.777 5.117 4.340 -0.000 0.000 0.302 184 R C -0.782 175.484 176.300 -0.056 0.000 1.002 184 R CA -0.578 55.478 56.100 -0.073 0.000 0.929 184 R CB 1.919 32.170 30.300 -0.081 0.000 1.073 184 R HN 0.651 nan 8.270 nan 0.000 0.464 185 V N 0.011 119.900 119.914 -0.042 0.000 2.876 185 V HA 0.458 4.578 4.120 -0.000 0.000 0.312 185 V C -2.226 173.873 176.094 0.007 0.000 1.085 185 V CA -2.074 60.224 62.300 -0.003 0.000 0.945 185 V CB 2.254 34.099 31.823 0.037 0.000 1.017 185 V HN 0.605 nan 8.190 nan 0.000 0.428 186 P HA 0.063 nan 4.420 nan 0.000 0.220 186 P C 0.475 177.843 177.300 0.113 0.000 1.152 186 P CA 1.523 64.690 63.100 0.112 0.000 0.812 186 P CB 0.290 32.104 31.700 0.190 0.000 0.792 187 S N -3.502 112.249 115.700 0.085 0.000 2.636 187 S HA 0.429 4.899 4.470 -0.000 0.000 0.266 187 S C -2.673 171.930 174.600 0.006 0.000 1.147 187 S CA -1.073 57.152 58.200 0.042 0.000 0.815 187 S CB 1.083 64.281 63.200 -0.004 0.000 1.119 187 S HN -0.291 nan 8.310 nan 0.000 0.470 188 P HA 0.113 nan 4.420 nan 0.000 0.220 188 P C 1.678 178.879 177.300 -0.164 0.000 1.148 188 P CA 1.615 64.462 63.100 -0.421 0.000 0.803 188 P CB -0.459 30.549 31.700 -1.153 0.000 0.782 189 G N 0.455 109.188 108.800 -0.113 0.000 2.459 189 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 189 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 189 G C 1.602 176.519 174.900 0.029 0.000 1.183 189 G CA 0.929 46.002 45.100 -0.044 0.000 0.776 189 G HN 0.335 nan 8.290 nan 0.000 0.552 190 E N -0.104 120.125 120.200 0.048 0.000 2.118 190 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 190 E C 1.261 177.947 176.600 0.143 0.000 0.992 190 E CA 0.265 56.714 56.400 0.081 0.000 0.804 190 E CB -0.092 29.643 29.700 0.058 0.000 0.741 190 E HN 0.249 nan 8.360 nan 0.000 0.458 194 W N 2.612 123.923 121.300 0.019 0.000 2.418 194 W HA 0.030 4.690 4.660 -0.000 0.000 0.292 194 W C 1.670 178.181 176.519 -0.014 0.000 1.213 194 W CA 1.355 58.704 57.345 0.006 0.000 1.283 194 W CB -0.169 29.302 29.460 0.017 0.000 1.119 194 W HN -0.140 nan 8.180 nan 0.000 0.542 195 V N 1.346 121.294 119.914 0.057 0.000 2.407 195 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 195 V C 2.360 178.349 176.094 -0.175 0.000 1.055 195 V CA 2.212 64.418 62.300 -0.157 0.000 1.049 195 V CB -0.730 31.133 31.823 0.066 0.000 0.662 195 V HN 0.124 nan 8.190 nan 0.000 0.455 196 E N 0.393 120.549 120.200 -0.073 0.000 2.106 196 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 196 E C 2.374 178.909 176.600 -0.109 0.000 0.984 196 E CA 1.359 57.718 56.400 -0.068 0.000 0.806 196 E CB -0.429 29.258 29.700 -0.022 0.000 0.750 196 E HN 0.573 nan 8.360 nan 0.000 0.458 197 A N 2.006 124.747 122.820 -0.132 0.000 1.902 197 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 197 A C 2.131 179.573 177.584 -0.238 0.000 1.181 197 A CA 1.143 53.088 52.037 -0.153 0.000 0.623 197 A CB -0.273 18.653 19.000 -0.124 0.000 0.818 197 A HN 0.016 nan 8.150 nan 0.000 0.443 198 R N -0.221 120.038 120.500 -0.402 0.000 2.096 198 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 198 R C 2.166 178.305 176.300 -0.268 0.000 1.127 198 R CA 1.521 57.356 56.100 -0.442 0.000 0.968 198 R CB -0.616 29.244 30.300 -0.734 0.000 0.861 198 R HN 0.599 nan 8.270 nan 0.000 0.440 199 R N 0.129 120.500 120.500 -0.214 0.000 2.115 199 R HA 0.037 4.377 4.340 -0.000 0.000 0.226 199 R C 2.252 178.495 176.300 -0.096 0.000 1.100 199 R CA 1.144 57.165 56.100 -0.131 0.000 0.980 199 R CB -0.281 29.963 30.300 -0.094 0.000 0.875 199 R HN 0.174 nan 8.270 nan 0.000 0.445 200 A N 1.280 124.042 122.820 -0.096 0.000 1.898 200 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 200 A C 2.318 179.861 177.584 -0.068 0.000 1.181 200 A CA 1.554 53.550 52.037 -0.069 0.000 0.620 200 A CB -0.593 18.370 19.000 -0.061 0.000 0.819 200 A HN 0.365 nan 8.150 nan 0.000 0.442 201 A N -1.918 120.849 122.820 -0.088 0.000 2.125 201 A HA 0.331 4.651 4.320 -0.000 0.000 0.219 201 A C 1.768 179.311 177.584 -0.068 0.000 1.156 201 A CA 1.735 53.725 52.037 -0.078 0.000 0.671 201 A CB -0.739 18.203 19.000 -0.097 0.000 0.794 201 A HN 1.892 nan 8.150 nan 0.000 0.459 202 G N -2.884 105.872 108.800 -0.073 0.000 2.155 202 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.130 202 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.130 202 G C 0.057 174.924 174.900 -0.056 0.000 1.027 202 G CA 0.066 45.133 45.100 -0.054 0.000 0.705 202 G HN 0.605 nan 8.290 nan 0.000 0.496 203 T N 2.911 117.414 114.554 -0.085 0.000 2.893 203 T HA 0.535 4.885 4.350 -0.000 0.000 0.324 203 T C -2.528 172.128 174.700 -0.075 0.000 1.082 203 T CA -1.242 60.812 62.100 -0.077 0.000 0.983 203 T CB 2.513 71.307 68.868 -0.122 0.000 1.005 203 T HN 0.101 nan 8.240 nan 0.000 0.475 204 P HA 0.264 nan 4.420 nan 0.000 0.230 204 P C -0.062 177.258 177.300 0.034 0.000 1.791 204 P CA -0.362 62.735 63.100 -0.004 0.000 1.020 204 P CB -0.458 31.250 31.700 0.013 0.000 1.977 205 I N 2.045 122.617 120.570 0.003 0.000 2.683 205 I HA -0.031 4.139 4.170 -0.000 0.000 0.286 205 I C 1.083 177.274 176.117 0.123 0.000 1.175 205 I CA -0.022 61.317 61.300 0.066 0.000 1.429 205 I CB 0.678 38.642 38.000 -0.060 0.000 1.371 205 I HN 0.086 nan 8.210 nan 0.000 0.569 206 V N 6.315 126.358 119.914 0.214 0.000 2.483 206 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 206 V C -0.181 176.072 176.094 0.265 0.000 1.035 206 V CA -0.931 61.526 62.300 0.261 0.000 0.896 206 V CB 1.683 33.750 31.823 0.408 0.000 0.986 206 V HN 0.426 nan 8.190 nan 0.000 0.447 207 L N 4.993 126.343 121.223 0.211 0.000 2.281 207 L HA 0.492 4.832 4.340 -0.000 0.000 0.285 207 L C -0.470 176.490 176.870 0.151 0.000 1.074 207 L CA -0.221 54.725 54.840 0.177 0.000 0.817 207 L CB 1.473 43.635 42.059 0.172 0.000 1.168 207 L HN 0.598 nan 8.230 nan 0.000 0.434 208 V N 3.154 123.121 119.914 0.089 0.000 2.380 208 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 208 V C 0.695 176.760 176.094 -0.047 0.000 1.015 208 V CA -0.644 61.639 62.300 -0.028 0.000 0.834 208 V CB 1.514 33.232 31.823 -0.176 0.000 1.009 208 V HN 0.906 nan 8.190 nan 0.000 0.428 209 G N 3.049 111.826 108.800 -0.038 0.000 2.507 209 G HA2 0.572 4.532 3.960 -0.000 0.000 0.271 209 G HA3 0.572 4.532 3.960 -0.000 0.000 0.271 209 G C 0.076 174.940 174.900 -0.060 0.000 1.189 209 G CA -0.052 45.024 45.100 -0.040 0.000 0.859 209 G HN 0.718 nan 8.290 nan 0.000 0.542 210 T N -1.431 113.089 114.554 -0.057 0.000 2.829 210 T HA 0.641 4.991 4.350 -0.000 0.000 0.280 210 T C -0.989 173.684 174.700 -0.046 0.000 0.999 210 T CA -0.778 61.287 62.100 -0.059 0.000 0.983 210 T CB 2.375 71.200 68.868 -0.071 0.000 0.968 210 T HN 0.550 nan 8.240 nan 0.000 0.446 211 D N -0.175 120.194 120.400 -0.052 0.000 2.671 211 D HA 0.257 4.897 4.640 -0.000 0.000 0.273 211 D C 0.689 176.928 176.300 -0.101 0.000 1.264 211 D CA -0.633 53.331 54.000 -0.061 0.000 0.788 211 D CB 1.454 42.237 40.800 -0.028 0.000 1.324 211 D HN 0.546 nan 8.370 nan 0.000 0.424 212 E N -0.788 119.294 120.200 -0.197 0.000 2.046 212 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 212 E C 0.189 176.636 176.600 -0.256 0.000 0.982 212 E CA 0.777 56.992 56.400 -0.308 0.000 0.800 212 E CB 0.016 29.358 29.700 -0.596 0.000 0.756 212 E HN 0.372 nan 8.360 nan 0.000 0.449 213 H N 0.306 119.375 119.070 -0.001 0.000 2.498 213 H HA 0.311 4.867 4.556 -0.000 0.000 0.239 213 H C 0.359 175.685 175.328 -0.004 0.000 1.586 213 H CA -0.160 55.887 56.048 -0.001 0.000 1.164 213 H CB -0.323 29.442 29.762 0.005 0.000 1.597 213 H HN 0.041 nan 8.280 nan 0.000 0.516 214 G N 0.198 109.030 108.800 0.052 0.000 2.634 214 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.255 214 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.255 214 G C 0.689 175.604 174.900 0.026 0.000 1.205 214 G CA -0.413 44.700 45.100 0.022 0.000 0.884 214 G HN 0.255 nan 8.290 nan 0.000 0.549 215 D N -1.324 119.090 120.400 0.024 0.000 2.219 215 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 215 D C 1.283 177.595 176.300 0.019 0.000 0.970 215 D CA 1.397 55.419 54.000 0.036 0.000 0.851 215 D CB -0.124 40.715 40.800 0.065 0.000 0.943 215 D HN 0.488 nan 8.370 nan 0.000 0.488 216 C N -0.663 118.628 119.300 -0.014 0.000 3.239 216 C HA 0.402 4.861 4.460 -0.000 0.000 0.317 216 C C -0.765 174.148 174.990 -0.129 0.000 1.310 216 C CA -1.303 57.684 59.018 -0.052 0.000 1.371 216 C CB 1.951 29.678 27.740 -0.022 0.000 1.714 216 C HN -0.073 nan 8.230 nan 0.000 0.473 217 D N 1.243 121.499 120.400 -0.240 0.000 2.423 217 D HA 0.052 4.692 4.640 -0.000 0.000 0.238 217 D C 1.243 177.280 176.300 -0.438 0.000 1.142 217 D CA 0.255 53.969 54.000 -0.477 0.000 0.884 217 D CB 1.715 41.879 40.800 -1.060 0.000 1.199 217 D HN 0.606 nan 8.370 nan 0.000 0.438 218 V N 3.156 122.886 119.914 -0.308 0.000 2.469 218 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 218 V C 1.700 177.882 176.094 0.147 0.000 1.064 218 V CA 1.739 64.058 62.300 0.032 0.000 1.066 218 V CB -0.555 31.346 31.823 0.131 0.000 0.667 218 V HN 0.572 nan 8.190 nan 0.000 0.461 219 F N -0.863 119.193 119.950 0.177 0.000 2.748 219 F HA 0.228 4.755 4.527 -0.000 0.000 0.299 219 F C 1.455 177.309 175.800 0.091 0.000 1.154 219 F CA 0.519 58.603 58.000 0.140 0.000 1.446 219 F CB -0.545 38.511 39.000 0.094 0.000 1.112 219 F HN 0.156 nan 8.300 nan 0.000 0.584 220 D N -0.113 120.285 120.400 -0.003 0.000 2.363 220 D HA 0.088 4.728 4.640 -0.000 0.000 0.214 220 D C -0.453 175.827 176.300 -0.034 0.000 1.093 220 D CA 0.154 54.164 54.000 0.017 0.000 0.837 220 D CB 0.070 40.844 40.800 -0.042 0.000 0.948 220 D HN 0.247 nan 8.370 nan 0.000 0.507 221 F N 1.246 121.056 119.950 -0.234 0.000 2.458 221 F HA 0.263 4.790 4.527 -0.000 0.000 0.330 221 F C 0.140 175.649 175.800 -0.486 0.000 1.082 221 F CA -1.243 56.477 58.000 -0.467 0.000 0.995 221 F CB 1.398 39.950 39.000 -0.747 0.000 1.170 221 F HN -0.348 nan 8.300 nan 0.000 0.478 222 D N 4.759 124.304 120.400 -1.424 0.000 2.483 222 D HA 0.068 4.708 4.640 -0.000 0.000 0.220 222 D C 0.337 176.169 176.300 -0.779 0.000 1.173 222 D CA 0.175 53.647 54.000 -0.880 0.000 0.964 222 D CB -0.389 39.972 40.800 -0.732 0.000 1.046 222 D HN 0.381 nan 8.370 nan 0.000 0.517 223 F N 0.664 120.524 119.950 -0.150 0.000 2.811 223 F HA -0.026 4.501 4.527 -0.000 0.000 0.301 223 F C 2.557 178.349 175.800 -0.014 0.000 1.151 223 F CA 0.487 58.504 58.000 0.029 0.000 1.412 223 F CB -0.286 38.763 39.000 0.082 0.000 1.113 223 F HN 0.314 nan 8.300 nan 0.000 0.579 224 T N -2.111 112.482 114.554 0.066 0.000 3.035 224 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 224 T C 0.967 175.700 174.700 0.055 0.000 1.109 224 T CA 0.091 62.221 62.100 0.050 0.000 1.119 224 T CB -0.537 68.332 68.868 0.003 0.000 0.900 224 T HN 0.449 nan 8.240 nan 0.000 0.503 225 Q N 2.215 122.030 119.800 0.025 0.000 2.368 225 Q HA 0.330 4.670 4.340 -0.000 0.000 0.237 225 Q C -2.671 173.419 176.000 0.151 0.000 0.987 225 Q CA -2.511 53.320 55.803 0.048 0.000 0.896 225 Q CB 0.245 28.969 28.738 -0.024 0.000 1.241 225 Q HN 0.110 nan 8.270 nan 0.000 0.485 226 P HA 0.003 nan 4.420 nan 0.000 0.263 226 P C -0.976 176.533 177.300 0.348 0.000 1.195 226 P CA 0.270 63.543 63.100 0.289 0.000 0.762 226 P CB 0.592 32.429 31.700 0.228 0.000 0.799 227 T N 4.095 118.917 114.554 0.447 0.000 2.991 227 T HA 0.355 4.705 4.350 -0.000 0.000 0.303 227 T C -0.758 174.193 174.700 0.419 0.000 1.015 227 T CA -0.378 61.961 62.100 0.398 0.000 1.007 227 T CB 0.995 70.099 68.868 0.394 0.000 1.034 227 T HN 0.176 nan 8.240 nan 0.000 0.446 228 L N 4.647 126.113 121.223 0.404 0.000 2.276 228 L HA 0.665 5.005 4.340 -0.000 0.000 0.286 228 L C -1.005 175.964 176.870 0.165 0.000 1.024 228 L CA -0.799 54.248 54.840 0.345 0.000 0.826 228 L CB 0.756 43.047 42.059 0.385 0.000 1.211 228 L HN 0.571 nan 8.230 nan 0.000 0.422 229 L N 6.137 127.407 121.223 0.078 0.000 2.290 229 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 229 L C -0.974 175.847 176.870 -0.082 0.000 1.078 229 L CA 0.075 54.918 54.840 0.005 0.000 0.815 229 L CB 0.727 42.763 42.059 -0.037 0.000 1.162 229 L HN 0.524 nan 8.230 nan 0.000 0.435 230 L N 6.604 127.757 121.223 -0.117 0.000 2.265 230 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 230 L C -0.606 176.165 176.870 -0.165 0.000 1.033 230 L CA -0.602 54.110 54.840 -0.214 0.000 0.814 230 L CB 1.153 43.044 42.059 -0.280 0.000 1.203 230 L HN 0.437 nan 8.230 nan 0.000 0.423 231 I N 2.664 123.138 120.570 -0.161 0.000 2.354 231 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 231 I C 0.839 176.970 176.117 0.024 0.000 0.989 231 I CA -0.144 61.080 61.300 -0.126 0.000 1.188 231 I CB 1.448 39.261 38.000 -0.311 0.000 1.342 231 I HN 0.557 nan 8.210 nan 0.000 0.457 232 G N 4.898 113.720 108.800 0.038 0.000 2.528 232 G HA2 0.094 4.054 3.960 -0.000 0.000 0.289 232 G HA3 0.094 4.054 3.960 -0.000 0.000 0.289 232 G C 0.136 175.151 174.900 0.193 0.000 1.192 232 G CA -0.523 44.634 45.100 0.094 0.000 0.921 232 G HN 0.725 nan 8.290 nan 0.000 0.512 233 N N -0.030 118.746 118.700 0.126 0.000 2.395 233 N HA -0.051 4.689 4.740 -0.000 0.000 0.246 233 N C 1.064 176.625 175.510 0.085 0.000 1.246 233 N CA 0.109 53.207 53.050 0.081 0.000 0.879 233 N CB 0.898 39.394 38.487 0.015 0.000 1.098 233 N HN 0.495 nan 8.380 nan 0.000 0.444 234 E N 0.908 121.156 120.200 0.080 0.000 2.118 234 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 234 E C 1.520 178.140 176.600 0.034 0.000 0.992 234 E CA 2.310 58.750 56.400 0.067 0.000 0.804 234 E CB 0.040 29.775 29.700 0.059 0.000 0.741 234 E HN 0.863 nan 8.360 nan 0.000 0.458 235 T N -3.324 111.244 114.554 0.024 0.000 3.026 235 T HA 0.355 4.705 4.350 -0.000 0.000 0.245 235 T C 1.843 176.554 174.700 0.019 0.000 1.004 235 T CA 0.255 62.365 62.100 0.017 0.000 1.069 235 T CB 0.193 69.068 68.868 0.012 0.000 1.005 235 T HN 0.118 nan 8.240 nan 0.000 0.472 236 A N 1.276 124.110 122.820 0.024 0.000 2.195 236 A HA 0.671 4.991 4.320 -0.000 0.000 0.210 236 A C 1.596 179.202 177.584 0.038 0.000 1.165 236 A CA 0.602 52.656 52.037 0.029 0.000 0.806 236 A CB -0.981 18.037 19.000 0.030 0.000 0.847 236 A HN 1.272 nan 8.150 nan 0.000 0.482 237 G N -0.769 108.054 108.800 0.040 0.000 2.697 237 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.240 237 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.240 237 G C -0.144 174.798 174.900 0.069 0.000 1.346 237 G CA -0.217 44.910 45.100 0.045 0.000 0.887 237 G HN 0.667 nan 8.290 nan 0.000 0.569 238 L N 1.064 122.331 121.223 0.074 0.000 2.485 238 L HA 0.354 4.694 4.340 -0.000 0.000 0.275 238 L C 1.776 178.741 176.870 0.158 0.000 1.207 238 L CA 0.301 55.215 54.840 0.122 0.000 0.855 238 L CB 0.713 42.838 42.059 0.110 0.000 1.114 238 L HN 1.017 nan 8.230 nan 0.000 0.485 239 S N 1.465 117.308 115.700 0.239 0.000 2.600 239 S HA 0.048 4.518 4.470 -0.000 0.000 0.265 239 S C 0.807 175.493 174.600 0.142 0.000 1.325 239 S CA -0.399 57.904 58.200 0.172 0.000 1.002 239 S CB 0.619 63.920 63.200 0.168 0.000 0.921 239 S HN 0.694 nan 8.310 nan 0.000 0.554 240 N N 0.782 119.527 118.700 0.074 0.000 2.166 240 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 240 N C 2.013 177.538 175.510 0.024 0.000 1.019 240 N CA 1.047 54.126 53.050 0.048 0.000 0.856 240 N CB -0.407 38.094 38.487 0.023 0.000 0.993 240 N HN 0.780 nan 8.380 nan 0.000 0.426 241 A N 0.312 123.112 122.820 -0.034 0.000 1.902 241 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 241 A C 1.717 179.217 177.584 -0.140 0.000 1.181 241 A CA 1.085 53.036 52.037 -0.142 0.000 0.623 241 A CB -0.961 17.878 19.000 -0.268 0.000 0.818 241 A HN 0.470 nan 8.150 nan 0.000 0.443 242 W N -0.546 120.767 121.300 0.022 0.000 2.418 242 W HA -0.033 4.627 4.660 -0.000 0.000 0.292 242 W C 2.624 179.156 176.519 0.021 0.000 1.213 242 W CA 0.919 58.280 57.345 0.027 0.000 1.283 242 W CB -0.044 29.437 29.460 0.035 0.000 1.119 242 W HN 0.226 nan 8.180 nan 0.000 0.542 243 R N -0.544 120.105 120.500 0.249 0.000 2.096 243 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 243 R C 2.035 178.393 176.300 0.098 0.000 1.127 243 R CA 1.844 58.032 56.100 0.146 0.000 0.968 243 R CB -0.915 29.446 30.300 0.102 0.000 0.861 243 R HN 0.035 nan 8.270 nan 0.000 0.440 244 T N 1.223 115.819 114.554 0.070 0.000 2.788 244 T HA -0.058 4.291 4.350 -0.000 0.000 0.268 244 T C 1.657 176.380 174.700 0.038 0.000 1.044 244 T CA 1.011 63.130 62.100 0.032 0.000 1.139 244 T CB -0.014 68.853 68.868 -0.001 0.000 0.867 244 T HN 0.139 nan 8.240 nan 0.000 0.454 245 L N 0.285 121.554 121.223 0.078 0.000 2.418 245 L HA 0.137 4.477 4.340 -0.000 0.000 0.218 245 L C 1.021 177.973 176.870 0.137 0.000 1.125 245 L CA -0.274 54.630 54.840 0.107 0.000 0.835 245 L CB -0.272 41.875 42.059 0.147 0.000 0.953 245 L HN 0.206 nan 8.230 nan 0.000 0.454 246 C N 1.465 120.850 119.300 0.140 0.000 2.596 246 C HA -0.072 4.388 4.460 -0.000 0.000 0.414 246 C C 1.794 176.781 174.990 -0.004 0.000 1.396 246 C CA -0.538 58.535 59.018 0.092 0.000 1.698 246 C CB 0.020 27.807 27.740 0.078 0.000 2.572 246 C HN 0.445 nan 8.230 nan 0.000 0.604 247 D N 0.461 120.832 120.400 -0.049 0.000 2.162 247 D HA 0.030 4.670 4.640 -0.000 0.000 0.203 247 D C -0.093 175.876 176.300 -0.551 0.000 0.967 247 D CA 1.637 55.460 54.000 -0.295 0.000 0.840 247 D CB 0.216 40.849 40.800 -0.279 0.000 0.972 247 D HN 0.678 nan 8.370 nan 0.000 0.482 248 Y N -0.953 119.355 120.300 0.013 0.000 2.588 248 Y HA 0.374 4.924 4.550 -0.000 0.000 0.343 248 Y C -0.129 175.702 175.900 -0.116 0.000 1.065 248 Y CA -0.907 57.168 58.100 -0.042 0.000 1.038 248 Y CB 2.052 40.476 38.460 -0.060 0.000 1.297 248 Y HN -0.448 nan 8.280 nan 0.000 0.467 249 T N 2.399 116.988 114.554 0.059 0.000 2.861 249 T HA 0.645 4.995 4.350 -0.000 0.000 0.287 249 T C -1.066 173.581 174.700 -0.088 0.000 1.003 249 T CA -0.727 61.356 62.100 -0.029 0.000 0.977 249 T CB 1.195 70.068 68.868 0.009 0.000 0.996 249 T HN 0.610 nan 8.240 nan 0.000 0.448 250 V N 0.616 120.449 119.914 -0.135 0.000 3.001 250 V HA 1.046 5.166 4.120 -0.000 0.000 0.314 250 V C -0.522 175.527 176.094 -0.076 0.000 1.099 250 V CA -0.947 61.274 62.300 -0.131 0.000 0.989 250 V CB 1.988 33.701 31.823 -0.184 0.000 1.040 250 V HN 1.011 nan 8.190 nan 0.000 0.434 251 S N 2.075 117.730 115.700 -0.075 0.000 2.556 251 S HA 0.736 5.206 4.470 -0.000 0.000 0.271 251 S C -0.876 173.687 174.600 -0.062 0.000 1.135 251 S CA -0.837 57.327 58.200 -0.061 0.000 0.858 251 S CB 1.471 64.641 63.200 -0.050 0.000 1.114 251 S HN 0.893 nan 8.310 nan 0.000 0.468 252 I N 3.340 123.891 120.570 -0.031 0.000 2.371 252 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 252 I C -1.406 174.722 176.117 0.018 0.000 1.028 252 I CA -1.692 59.612 61.300 0.007 0.000 1.345 252 I CB 0.599 38.609 38.000 0.017 0.000 1.407 252 I HN 0.620 nan 8.210 nan 0.000 0.501 256 G N -0.473 108.344 108.800 0.027 0.000 2.949 256 G HA2 0.514 4.474 3.960 -0.000 0.000 0.285 256 G HA3 0.514 4.474 3.960 -0.000 0.000 0.285 256 G C 0.794 175.715 174.900 0.035 0.000 1.395 256 G CA 0.876 45.993 45.100 0.029 0.000 0.901 256 G HN 0.805 nan 8.290 nan 0.000 0.519 257 S N -0.980 114.742 115.700 0.038 0.000 2.453 257 S HA 0.094 4.564 4.470 -0.000 0.000 0.231 257 S C 2.163 176.788 174.600 0.041 0.000 1.005 257 S CA 1.402 59.631 58.200 0.049 0.000 0.949 257 S CB -0.112 63.115 63.200 0.045 0.000 0.774 257 S HN 0.971 nan 8.310 nan 0.000 0.510 258 A N 1.834 124.671 122.820 0.027 0.000 1.849 258 A HA 0.295 4.615 4.320 -0.000 0.000 0.214 258 A C 1.559 179.151 177.584 0.013 0.000 1.269 258 A CA 0.845 52.894 52.037 0.020 0.000 0.605 258 A CB -1.178 17.831 19.000 0.015 0.000 0.937 258 A HN 0.473 nan 8.150 nan 0.000 0.461 259 S N -1.037 114.669 115.700 0.009 0.000 2.617 259 S HA 0.477 4.947 4.470 -0.000 0.000 0.259 259 S C 0.291 174.888 174.600 -0.004 0.000 1.301 259 S CA 0.225 58.426 58.200 0.002 0.000 0.984 259 S CB 0.216 63.417 63.200 0.001 0.000 0.954 259 S HN 1.199 nan 8.310 nan 0.000 0.572 260 S N 0.716 116.410 115.700 -0.010 0.000 2.688 260 S HA 0.651 5.121 4.470 -0.000 0.000 0.275 260 S C -1.456 173.132 174.600 -0.020 0.000 1.175 260 S CA -1.032 57.156 58.200 -0.020 0.000 0.818 260 S CB 0.510 63.695 63.200 -0.025 0.000 1.157 260 S HN 0.609 nan 8.310 nan 0.000 0.482 261 L N 1.649 122.856 121.223 -0.027 0.000 2.334 261 L HA 0.540 4.880 4.340 -0.000 0.000 0.276 261 L C 0.213 177.066 176.870 -0.028 0.000 1.014 261 L CA -0.884 53.939 54.840 -0.029 0.000 0.815 261 L CB 1.538 43.575 42.059 -0.036 0.000 1.268 261 L HN 0.908 nan 8.230 nan 0.000 0.428 262 N N 1.340 120.025 118.700 -0.026 0.000 2.353 262 N HA -0.037 4.703 4.740 -0.000 0.000 0.248 262 N C 0.974 176.460 175.510 -0.041 0.000 1.240 262 N CA 0.823 53.860 53.050 -0.022 0.000 0.862 262 N CB 1.229 39.703 38.487 -0.022 0.000 1.086 262 N HN 0.748 nan 8.380 nan 0.000 0.453 263 A N 3.600 126.403 122.820 -0.029 0.000 1.908 263 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 263 A C 2.184 179.654 177.584 -0.190 0.000 1.181 263 A CA 1.989 53.974 52.037 -0.086 0.000 0.627 263 A CB -1.480 17.519 19.000 -0.002 0.000 0.818 263 A HN 0.873 nan 8.150 nan 0.000 0.445 264 A N -0.030 122.694 122.820 -0.159 0.000 1.930 264 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 264 A C 1.898 179.397 177.584 -0.142 0.000 1.175 264 A CA 1.637 53.562 52.037 -0.186 0.000 0.627 264 A CB -0.820 18.109 19.000 -0.119 0.000 0.815 264 A HN 0.731 nan 8.150 nan 0.000 0.443 265 N N 0.025 118.665 118.700 -0.100 0.000 2.142 265 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 265 N C 1.982 177.440 175.510 -0.087 0.000 1.023 265 N CA 0.948 53.948 53.050 -0.083 0.000 0.852 265 N CB -0.225 38.226 38.487 -0.061 0.000 0.998 265 N HN 0.500 nan 8.380 nan 0.000 0.424 266 A N 1.347 124.111 122.820 -0.094 0.000 1.877 266 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 266 A C 2.354 179.868 177.584 -0.116 0.000 1.186 266 A CA 1.648 53.630 52.037 -0.091 0.000 0.620 266 A CB -0.929 18.016 19.000 -0.091 0.000 0.822 266 A HN 0.331 nan 8.150 nan 0.000 0.443 267 A N -0.956 121.765 122.820 -0.166 0.000 1.908 267 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 267 A C 2.314 179.802 177.584 -0.159 0.000 1.181 267 A CA 2.453 54.371 52.037 -0.198 0.000 0.627 267 A CB -1.358 17.473 19.000 -0.282 0.000 0.818 267 A HN 0.442 nan 8.150 nan 0.000 0.445 268 T N 0.149 114.624 114.554 -0.131 0.000 2.746 268 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 268 T C 2.223 176.893 174.700 -0.049 0.000 1.039 268 T CA 1.607 63.650 62.100 -0.095 0.000 1.142 268 T CB -0.441 68.374 68.868 -0.088 0.000 0.866 268 T HN 0.609 nan 8.240 nan 0.000 0.444 269 A N 0.896 123.690 122.820 -0.044 0.000 1.930 269 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 269 A C 2.252 179.857 177.584 0.035 0.000 1.175 269 A CA 1.122 53.169 52.037 0.017 0.000 0.627 269 A CB -0.668 18.332 19.000 0.001 0.000 0.815 269 A HN 0.533 nan 8.150 nan 0.000 0.443 270 I N -0.865 119.662 120.570 -0.073 0.000 2.500 270 I HA -0.140 4.030 4.170 -0.000 0.000 0.252 270 I C 2.105 178.020 176.117 -0.337 0.000 1.142 270 I CA 0.352 61.542 61.300 -0.183 0.000 1.451 270 I CB -0.141 37.751 38.000 -0.180 0.000 1.093 270 I HN 0.195 nan 8.210 nan 0.000 0.430 271 L N 0.122 121.201 121.223 -0.240 0.000 2.056 271 L HA -0.233 4.107 4.340 -0.000 0.000 0.207 271 L C 2.505 179.255 176.870 -0.200 0.000 1.078 271 L CA 1.913 56.601 54.840 -0.253 0.000 0.749 271 L CB -1.426 40.524 42.059 -0.181 0.000 0.901 271 L HN 0.305 nan 8.230 nan 0.000 0.433 272 Y N 0.853 121.045 120.300 -0.179 0.000 2.207 272 Y HA -0.285 4.265 4.550 -0.000 0.000 0.287 272 Y C 2.531 178.361 175.900 -0.117 0.000 1.156 272 Y CA 2.081 60.106 58.100 -0.125 0.000 1.182 272 Y CB -0.102 38.305 38.460 -0.088 0.000 0.979 272 Y HN 0.326 nan 8.280 nan 0.000 0.521 273 E N 0.802 120.788 120.200 -0.356 0.000 2.150 273 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 273 E C 2.175 178.570 176.600 -0.342 0.000 0.985 273 E CA 1.373 57.556 56.400 -0.363 0.000 0.814 273 E CB -0.550 29.105 29.700 -0.074 0.000 0.752 273 E HN 0.514 nan 8.360 nan 0.000 0.466 274 A N 0.263 122.803 122.820 -0.467 0.000 1.858 274 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 274 A C 2.513 179.978 177.584 -0.197 0.000 1.190 274 A CA 1.649 53.489 52.037 -0.328 0.000 0.617 274 A CB -0.964 17.768 19.000 -0.447 0.000 0.827 274 A HN 0.186 nan 8.150 nan 0.000 0.443 275 V N 0.372 120.133 119.914 -0.255 0.000 2.282 275 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 275 V C 2.704 178.663 176.094 -0.226 0.000 1.057 275 V CA 2.521 64.696 62.300 -0.208 0.000 1.032 275 V CB -0.851 30.860 31.823 -0.188 0.000 0.645 275 V HN 0.667 nan 8.190 nan 0.000 0.447 276 R N -0.332 119.933 120.500 -0.392 0.000 2.083 276 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 276 R C 2.366 178.580 176.300 -0.142 0.000 1.137 276 R CA 2.035 57.942 56.100 -0.322 0.000 0.951 276 R CB -0.225 29.775 30.300 -0.500 0.000 0.851 276 R HN 0.612 nan 8.270 nan 0.000 0.434 277 Q N -0.585 119.158 119.800 -0.095 0.000 2.224 277 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 277 Q C 2.179 178.171 176.000 -0.015 0.000 0.970 277 Q CA 1.132 56.925 55.803 -0.016 0.000 0.865 277 Q CB 0.107 28.879 28.738 0.057 0.000 0.922 277 Q HN 0.342 nan 8.270 nan 0.000 0.445 278 R N 0.755 121.239 120.500 -0.027 0.000 2.062 278 R HA 0.048 4.388 4.340 -0.000 0.000 0.226 278 R C 1.332 177.622 176.300 -0.017 0.000 1.125 278 R CA 0.486 56.578 56.100 -0.013 0.000 0.966 278 R CB -0.238 30.055 30.300 -0.012 0.000 0.861 278 R HN 0.270 nan 8.270 nan 0.000 0.433 279 I N -0.449 120.102 120.570 -0.032 0.000 2.421 279 I HA 0.079 4.248 4.170 -0.000 0.000 0.291 279 I C 0.385 176.492 176.117 -0.016 0.000 1.089 279 I CA 0.256 61.544 61.300 -0.021 0.000 1.354 279 I CB 1.365 39.351 38.000 -0.023 0.000 1.413 279 I HN 0.186 nan 8.210 nan 0.000 0.513 280 S N 4.471 120.166 115.700 -0.008 0.000 2.242 280 S HA -0.225 4.245 4.470 -0.000 0.000 0.233 280 S C 0.961 175.557 174.600 -0.007 0.000 1.183 280 S CA 1.995 60.192 58.200 -0.006 0.000 1.639 280 S CB -1.587 61.610 63.200 -0.005 0.000 2.135 280 S HN 2.535 nan 8.310 nan 0.000 0.602 281 G N 0.798 109.591 108.800 -0.011 0.000 2.788 281 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.249 281 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.249 281 G C 0.095 174.990 174.900 -0.009 0.000 1.008 281 G CA 0.436 45.530 45.100 -0.010 0.000 1.220 281 G HN 0.508 nan 8.290 nan 0.000 0.506 282 R N -0.002 120.493 120.500 -0.008 0.000 2.087 282 R HA 0.162 4.502 4.340 -0.000 0.000 0.216 282 R C 0.910 177.210 176.300 0.001 0.000 1.114 282 R CA 1.865 57.962 56.100 -0.005 0.000 1.002 282 R CB 0.155 30.452 30.300 -0.006 0.000 0.903 282 R HN 0.695 nan 8.270 nan 0.000 0.445 283 T N -0.546 114.014 114.554 0.011 0.000 2.923 283 T HA 0.640 4.990 4.350 -0.000 0.000 0.311 283 T C -0.710 174.006 174.700 0.026 0.000 1.183 283 T CA -0.194 61.919 62.100 0.020 0.000 1.020 283 T CB 2.322 71.211 68.868 0.034 0.000 1.165 283 T HN 0.460 nan 8.240 nan 0.000 0.482 284 A N 0.000 122.822 122.820 0.003 0.000 2.254 284 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 284 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 284 A CB 0.000 18.982 19.000 -0.029 0.000 0.831 284 A HN 0.000 nan 8.150 nan 0.000 0.486