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 3gw9_1_D DATA FIRST_RESID 29 DATA SEQUENCE GKLPPVYPVT VPILGHIIQF GKSPLGFMQE CKRQLKSGIF TINIVGKRVT DATA SEQUENCE IVGDPHEHSR FFLPRNEVLS PREVYSFMVP VFGEGVAYAA PYPRMREQLN DATA SEQUENCE FLAEELTIAK FQNFVPAIQH EVRKFMAANW DKDEGEINLL EDCSTMIINT DATA SEQUENCE ACQCLFGEDL RKRLDARRFA QLLAKMESSL IPAAVFLPIL LKLPLPQSAR DATA SEQUENCE CHEARTELQK ILSEIIIARK EEEVNKDSST SDLLSGLLSA VYRDGTPMSL DATA SEQUENCE HEVCGMIVAA MFAGQHTSSI TTTWSMLHLM HPANVKHLEA LRKEIEEFPA DATA SEQUENCE QLNYNNVMDE MPFAERCARE SIRRDPPLLM LMRKVMADVK VGSYVVPKGD DATA SEQUENCE IIACSPLLSH HDEEAFPEPR RWDPERDEKV EGAFIGFGAG VHKCIGQKFG DATA SEQUENCE LLQVKTILAT AFRSYDFQLL RDEVPDPDYH TMVVGPTASQ CRVKYIRRK 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 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 29 G C 0.000 174.943 174.900 0.072 0.000 0.946 29 G CA 0.000 45.132 45.100 0.054 0.000 0.502 30 K N 1.843 122.297 120.400 0.090 0.000 2.127 30 K HA 0.356 4.675 4.320 -0.003 0.000 0.261 30 K C 0.561 177.297 176.600 0.227 0.000 1.129 30 K CA -0.298 56.069 56.287 0.134 0.000 0.993 30 K CB -0.101 32.460 32.500 0.102 0.000 1.410 30 K HN 0.413 nan 8.250 nan 0.000 0.380 31 L N 4.797 126.119 121.223 0.165 0.000 2.395 31 L HA 0.271 4.610 4.340 -0.003 0.000 0.269 31 L C -1.792 175.078 176.870 0.001 0.000 1.133 31 L CA -2.014 52.887 54.840 0.102 0.000 0.812 31 L CB 0.444 42.532 42.059 0.048 0.000 1.125 31 L HN 0.304 nan 8.230 nan 0.000 0.452 32 P HA 0.066 nan 4.420 nan 0.000 0.269 32 P C -2.430 174.717 177.300 -0.255 0.000 1.209 32 P CA -0.913 61.794 63.100 -0.656 0.000 0.776 32 P CB -0.315 31.094 31.700 -0.485 0.000 0.876 33 P HA -0.031 nan 4.420 nan 0.000 0.266 33 P C -0.663 176.658 177.300 0.034 0.000 1.195 33 P CA 0.407 63.487 63.100 -0.032 0.000 0.768 33 P CB 0.344 32.044 31.700 0.000 0.000 0.838 34 V N 4.131 124.085 119.914 0.067 0.000 2.439 34 V HA 0.110 4.229 4.120 -0.003 0.000 0.282 34 V C 0.197 176.395 176.094 0.173 0.000 1.039 34 V CA -0.631 61.745 62.300 0.125 0.000 0.913 34 V CB 0.549 32.431 31.823 0.099 0.000 0.983 34 V HN 0.429 nan 8.190 nan 0.000 0.460 35 Y N 7.385 127.724 120.300 0.065 0.000 2.425 35 Y HA 0.305 4.853 4.550 -0.003 0.000 0.331 35 Y C -2.012 173.995 175.900 0.178 0.000 1.157 35 Y CA -2.381 55.725 58.100 0.010 0.000 1.372 35 Y CB 0.805 39.146 38.460 -0.200 0.000 1.253 35 Y HN 0.490 nan 8.280 nan 0.000 0.536 36 P HA 0.002 nan 4.420 nan 0.000 0.264 36 P C -1.091 176.228 177.300 0.031 0.000 1.193 36 P CA 0.150 63.177 63.100 -0.122 0.000 0.763 36 P CB 0.376 31.929 31.700 -0.245 0.000 0.810 37 V N 3.777 123.689 119.914 -0.002 0.000 2.385 37 V HA 0.107 4.225 4.120 -0.003 0.000 0.269 37 V C 1.544 177.575 176.094 -0.105 0.000 1.043 37 V CA 0.397 62.602 62.300 -0.158 0.000 0.906 37 V CB 0.411 32.125 31.823 -0.183 0.000 0.995 37 V HN 0.717 nan 8.190 nan 0.000 0.467 38 T N 1.382 115.882 114.554 -0.089 0.000 3.015 38 T HA 0.129 4.478 4.350 -0.003 0.000 0.250 38 T C 0.418 175.080 174.700 -0.064 0.000 1.057 38 T CA 0.052 62.118 62.100 -0.057 0.000 1.066 38 T CB 0.281 69.134 68.868 -0.025 0.000 0.959 38 T HN 0.285 nan 8.240 nan 0.000 0.488 39 V N 4.764 124.623 119.914 -0.093 0.000 2.334 39 V HA 0.278 4.397 4.120 -0.003 0.000 0.267 39 V C -1.135 174.899 176.094 -0.101 0.000 1.040 39 V CA -1.855 60.395 62.300 -0.083 0.000 0.866 39 V CB 1.112 32.888 31.823 -0.079 0.000 1.019 39 V HN 0.176 nan 8.190 nan 0.000 0.468 40 P HA -0.155 nan 4.420 nan 0.000 0.214 40 P C 1.404 178.663 177.300 -0.069 0.000 1.163 40 P CA 1.638 64.699 63.100 -0.066 0.000 0.889 40 P CB 0.584 32.257 31.700 -0.045 0.000 0.790 41 I N -1.838 118.695 120.570 -0.062 0.000 2.731 41 I HA -0.029 4.140 4.170 -0.003 0.000 0.260 41 I C 2.432 178.505 176.117 -0.073 0.000 1.138 41 I CA 0.578 61.845 61.300 -0.056 0.000 1.461 41 I CB -0.322 37.654 38.000 -0.041 0.000 1.128 41 I HN -0.199 nan 8.210 nan 0.000 0.438 42 L N 0.425 121.596 121.223 -0.087 0.000 2.446 42 L HA 0.215 4.553 4.340 -0.003 0.000 0.219 42 L C 1.750 178.530 176.870 -0.150 0.000 1.116 42 L CA 0.511 55.288 54.840 -0.105 0.000 0.844 42 L CB -0.773 41.231 42.059 -0.090 0.000 0.970 42 L HN 0.432 nan 8.230 nan 0.000 0.457 43 G N 0.649 109.340 108.800 -0.182 0.000 2.651 43 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.315 43 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.315 43 G C 0.561 175.280 174.900 -0.302 0.000 1.258 43 G CA 0.587 45.500 45.100 -0.313 0.000 1.002 43 G HN 0.405 nan 8.290 nan 0.000 0.551 44 H N 0.124 119.145 119.070 -0.082 0.000 2.549 44 H HA 0.322 4.877 4.556 -0.003 0.000 0.279 44 H C 2.390 177.551 175.328 -0.279 0.000 1.018 44 H CA 0.434 56.401 56.048 -0.135 0.000 1.175 44 H CB 0.197 29.963 29.762 0.007 0.000 1.485 44 H HN 0.408 nan 8.280 nan 0.000 0.543 45 I N 0.460 120.939 120.570 -0.152 0.000 2.315 45 I HA -0.215 3.953 4.170 -0.003 0.000 0.248 45 I C 1.831 177.884 176.117 -0.107 0.000 1.117 45 I CA 1.078 62.264 61.300 -0.191 0.000 1.404 45 I CB 0.097 37.953 38.000 -0.240 0.000 1.071 45 I HN 0.090 nan 8.210 nan 0.000 0.419 46 I N 0.214 120.725 120.570 -0.098 0.000 2.353 46 I HA -0.267 3.902 4.170 -0.003 0.000 0.248 46 I C 2.442 178.505 176.117 -0.089 0.000 1.119 46 I CA 0.988 62.248 61.300 -0.068 0.000 1.417 46 I CB -0.317 37.653 38.000 -0.050 0.000 1.078 46 I HN 0.271 nan 8.210 nan 0.000 0.421 47 Q N 0.360 120.070 119.800 -0.149 0.000 2.030 47 Q HA -0.240 4.099 4.340 -0.003 0.000 0.204 47 Q C 2.087 177.862 176.000 -0.374 0.000 0.986 47 Q CA 2.113 57.779 55.803 -0.228 0.000 0.843 47 Q CB -0.436 28.122 28.738 -0.299 0.000 0.904 47 Q HN 0.433 nan 8.270 nan 0.000 0.420 48 F N 0.427 119.928 119.950 -0.748 0.000 2.069 48 F HA -0.185 4.341 4.527 -0.002 0.000 0.298 48 F C 2.060 177.705 175.800 -0.258 0.000 1.113 48 F CA 1.914 59.573 58.000 -0.568 0.000 1.214 48 F CB -0.684 38.030 39.000 -0.478 0.000 0.978 48 F HN 0.129 nan 8.300 nan 0.000 0.474 49 G N -0.121 108.716 108.800 0.062 0.000 2.422 49 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.218 49 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.218 49 G C 1.731 176.610 174.900 -0.035 0.000 1.146 49 G CA 0.850 45.984 45.100 0.055 0.000 0.769 49 G HN 0.328 nan 8.290 nan 0.000 0.547 50 K N -0.458 119.905 120.400 -0.061 0.000 2.032 50 K HA -0.019 4.299 4.320 -0.003 0.000 0.209 50 K C 0.812 177.378 176.600 -0.058 0.000 1.048 50 K CA 1.259 57.524 56.287 -0.037 0.000 0.927 50 K CB -0.070 32.410 32.500 -0.033 0.000 0.712 50 K HN 0.234 nan 8.250 nan 0.000 0.441 51 S N -0.377 115.224 115.700 -0.165 0.000 2.488 51 S HA 0.254 4.722 4.470 -0.003 0.000 0.151 51 S C -2.516 171.841 174.600 -0.406 0.000 1.401 51 S CA -1.301 56.771 58.200 -0.213 0.000 1.221 51 S CB 0.851 64.001 63.200 -0.085 0.000 1.407 51 S HN -0.130 nan 8.310 nan 0.000 0.406 52 P HA -0.084 nan 4.420 nan 0.000 0.215 52 P C 1.566 178.486 177.300 -0.634 0.000 1.153 52 P CA 0.486 62.944 63.100 -1.071 0.000 0.853 52 P CB 0.163 31.111 31.700 -1.253 0.000 0.788 53 L N -0.217 120.668 121.223 -0.563 0.000 2.005 53 L HA 0.058 4.397 4.340 -0.003 0.000 0.207 53 L C 2.343 179.069 176.870 -0.241 0.000 1.072 53 L CA 2.431 57.048 54.840 -0.371 0.000 0.744 53 L CB -1.719 40.094 42.059 -0.410 0.000 0.895 53 L HN -0.042 nan 8.230 nan 0.000 0.433 54 G N -0.965 107.710 108.800 -0.207 0.000 2.446 54 G HA2 -0.377 3.581 3.960 -0.003 0.000 0.217 54 G HA3 -0.377 3.581 3.960 -0.003 0.000 0.217 54 G C 1.609 176.430 174.900 -0.131 0.000 1.168 54 G CA 1.029 46.050 45.100 -0.132 0.000 0.771 54 G HN 0.477 nan 8.290 nan 0.000 0.551 55 F N 1.027 120.828 119.950 -0.247 0.000 2.102 55 F HA -0.008 4.517 4.527 -0.003 0.000 0.298 55 F C 2.786 178.416 175.800 -0.282 0.000 1.105 55 F CA 1.797 59.653 58.000 -0.240 0.000 1.239 55 F CB -0.126 38.749 39.000 -0.209 0.000 0.991 55 F HN 0.072 nan 8.300 nan 0.000 0.474 56 M N -0.329 119.132 119.600 -0.233 0.000 2.132 56 M HA -0.236 4.243 4.480 -0.003 0.000 0.263 56 M C 2.277 178.380 176.300 -0.328 0.000 1.065 56 M CA 1.707 56.885 55.300 -0.205 0.000 1.122 56 M CB -0.570 32.091 32.600 0.102 0.000 1.365 56 M HN 0.228 nan 8.290 nan 0.000 0.411 57 Q N -0.202 119.453 119.800 -0.242 0.000 2.170 57 Q HA -0.232 4.107 4.340 -0.003 0.000 0.203 57 Q C 1.868 177.681 176.000 -0.311 0.000 0.976 57 Q CA 1.384 57.060 55.803 -0.212 0.000 0.858 57 Q CB -0.010 28.653 28.738 -0.125 0.000 0.907 57 Q HN 0.334 nan 8.270 nan 0.000 0.433 58 E N -0.170 119.790 120.200 -0.399 0.000 2.106 58 E HA -0.137 4.212 4.350 -0.003 0.000 0.192 58 E C 1.695 177.905 176.600 -0.650 0.000 0.984 58 E CA 1.197 57.343 56.400 -0.424 0.000 0.806 58 E CB -0.225 29.265 29.700 -0.349 0.000 0.750 58 E HN 0.335 nan 8.360 nan 0.000 0.458 59 C N 0.504 119.155 119.300 -1.082 0.000 2.453 59 C HA -0.028 4.431 4.460 -0.003 0.000 0.277 59 C C 2.530 176.890 174.990 -1.051 0.000 1.262 59 C CA 1.015 59.202 59.018 -1.385 0.000 1.718 59 C CB -0.868 25.721 27.740 -1.918 0.000 2.031 59 C HN 0.500 nan 8.230 nan 0.000 0.480 60 K N 1.407 121.226 120.400 -0.968 0.000 2.020 60 K HA -0.237 4.082 4.320 -0.003 0.000 0.212 60 K C 2.262 178.695 176.600 -0.279 0.000 1.050 60 K CA 1.963 57.950 56.287 -0.500 0.000 0.929 60 K CB -0.359 32.013 32.500 -0.214 0.000 0.714 60 K HN 0.421 nan 8.250 nan 0.000 0.443 61 R N -0.162 120.189 120.500 -0.249 0.000 2.070 61 R HA -0.097 4.241 4.340 -0.003 0.000 0.233 61 R C 2.437 178.663 176.300 -0.124 0.000 1.137 61 R CA 1.692 57.705 56.100 -0.146 0.000 0.945 61 R CB -0.188 30.037 30.300 -0.124 0.000 0.845 61 R HN 0.287 nan 8.270 nan 0.000 0.430 62 Q N 0.159 119.867 119.800 -0.152 0.000 2.224 62 Q HA -0.079 4.260 4.340 -0.003 0.000 0.203 62 Q C 1.871 177.841 176.000 -0.050 0.000 0.970 62 Q CA 1.140 56.902 55.803 -0.068 0.000 0.865 62 Q CB 0.214 28.958 28.738 0.011 0.000 0.922 62 Q HN 0.444 nan 8.270 nan 0.000 0.445 63 L N -0.220 120.941 121.223 -0.103 0.000 2.607 63 L HA 0.096 4.434 4.340 -0.003 0.000 0.228 63 L C 0.241 177.098 176.870 -0.021 0.000 1.123 63 L CA -0.021 54.787 54.840 -0.052 0.000 0.890 63 L CB 0.174 42.187 42.059 -0.077 0.000 1.103 63 L HN 0.037 nan 8.230 nan 0.000 0.468 64 K N 0.840 121.219 120.400 -0.035 0.000 3.148 64 K HA -0.188 4.130 4.320 -0.003 0.000 0.267 64 K C -0.078 176.551 176.600 0.048 0.000 0.996 64 K CA 0.553 56.841 56.287 0.002 0.000 0.737 64 K CB -1.283 31.226 32.500 0.015 0.000 1.308 64 K HN 0.275 nan 8.250 nan 0.000 0.470 65 S N -1.912 113.820 115.700 0.053 0.000 2.563 65 S HA 0.484 4.952 4.470 -0.003 0.000 0.279 65 S C 0.958 175.682 174.600 0.207 0.000 1.155 65 S CA -0.156 58.128 58.200 0.141 0.000 0.928 65 S CB 1.695 64.996 63.200 0.169 0.000 1.107 65 S HN 0.313 nan 8.310 nan 0.000 0.462 66 G N 2.785 111.714 108.800 0.215 0.000 2.471 66 G HA2 0.120 4.079 3.960 -0.003 0.000 0.219 66 G HA3 0.120 4.079 3.960 -0.003 0.000 0.219 66 G C 0.215 175.255 174.900 0.233 0.000 1.125 66 G CA 0.637 45.883 45.100 0.242 0.000 0.775 66 G HN 0.580 nan 8.290 nan 0.000 0.548 67 I N 1.137 121.826 120.570 0.198 0.000 2.321 67 I HA 0.557 4.725 4.170 -0.003 0.000 0.291 67 I C -0.559 175.560 176.117 0.003 0.000 0.998 67 I CA -0.955 60.359 61.300 0.022 0.000 1.227 67 I CB 1.201 39.260 38.000 0.098 0.000 1.368 67 I HN 0.185 nan 8.210 nan 0.000 0.466 68 F N 1.941 121.815 119.950 -0.126 0.000 2.773 68 F HA 0.779 5.304 4.527 -0.003 0.000 0.314 68 F C -1.034 174.714 175.800 -0.088 0.000 1.160 68 F CA -0.863 57.052 58.000 -0.142 0.000 0.920 68 F CB 1.287 40.212 39.000 -0.125 0.000 1.323 68 F HN 0.129 nan 8.300 nan 0.000 0.457 69 T N 3.390 118.051 114.554 0.179 0.000 2.840 69 T HA 0.679 5.028 4.350 -0.003 0.000 0.287 69 T C -0.265 174.582 174.700 0.244 0.000 0.991 69 T CA -0.516 61.648 62.100 0.106 0.000 0.964 69 T CB 1.142 70.042 68.868 0.053 0.000 0.954 69 T HN 0.810 nan 8.240 nan 0.000 0.438 70 I N 0.689 121.396 120.570 0.228 0.000 3.205 70 I HA 0.731 4.900 4.170 -0.003 0.000 0.310 70 I C -0.485 175.807 176.117 0.292 0.000 1.089 70 I CA -1.026 60.471 61.300 0.328 0.000 1.023 70 I CB 1.795 39.990 38.000 0.325 0.000 1.269 70 I HN 0.369 nan 8.210 nan 0.000 0.512 71 N N 2.807 121.773 118.700 0.443 0.000 2.448 71 N HA 0.394 5.132 4.740 -0.003 0.000 0.279 71 N C -1.654 173.837 175.510 -0.031 0.000 1.025 71 N CA -0.440 52.696 53.050 0.142 0.000 0.898 71 N CB 1.894 40.413 38.487 0.054 0.000 1.303 71 N HN 0.545 nan 8.380 nan 0.000 0.495 72 I N 4.346 124.809 120.570 -0.177 0.000 2.405 72 I HA 0.182 4.350 4.170 -0.003 0.000 0.280 72 I C 0.730 176.652 176.117 -0.324 0.000 1.027 72 I CA -0.550 60.487 61.300 -0.438 0.000 1.161 72 I CB 0.990 38.377 38.000 -1.022 0.000 1.300 72 I HN 0.332 nan 8.210 nan 0.000 0.463 73 V N 6.200 125.984 119.914 -0.216 0.000 5.325 73 V HA -0.293 3.826 4.120 -0.003 0.000 0.291 73 V C 1.510 177.580 176.094 -0.040 0.000 0.541 73 V CA 1.264 63.499 62.300 -0.107 0.000 0.687 73 V CB -2.197 29.585 31.823 -0.068 0.000 0.491 73 V HN 1.232 nan 8.190 nan 0.000 1.145 74 G N -0.891 107.879 108.800 -0.049 0.000 2.241 74 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.244 74 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.244 74 G C 0.127 175.037 174.900 0.017 0.000 0.998 74 G CA 0.586 45.677 45.100 -0.015 0.000 0.621 74 G HN 1.023 nan 8.290 nan 0.000 0.519 75 K N 1.614 122.042 120.400 0.047 0.000 2.227 75 K HA 0.599 4.917 4.320 -0.003 0.000 0.280 75 K C 0.764 177.414 176.600 0.084 0.000 1.041 75 K CA -0.659 55.689 56.287 0.102 0.000 0.905 75 K CB 0.316 32.967 32.500 0.253 0.000 1.068 75 K HN 0.306 nan 8.250 nan 0.000 0.470 76 R N 2.503 123.048 120.500 0.074 0.000 2.458 76 R HA 0.111 4.450 4.340 -0.003 0.000 0.303 76 R C -0.727 175.620 176.300 0.078 0.000 1.013 76 R CA -0.150 55.991 56.100 0.069 0.000 1.026 76 R CB 0.362 30.693 30.300 0.052 0.000 0.948 76 R HN 0.256 nan 8.270 nan 0.000 0.417 77 V N 3.720 123.672 119.914 0.063 0.000 2.326 77 V HA 0.146 4.265 4.120 -0.003 0.000 0.281 77 V C 0.014 176.096 176.094 -0.020 0.000 1.015 77 V CA -0.655 61.668 62.300 0.038 0.000 0.823 77 V CB 1.741 33.574 31.823 0.015 0.000 1.009 77 V HN 0.738 nan 8.190 nan 0.000 0.436 78 T N 6.740 121.268 114.554 -0.044 0.000 2.728 78 T HA 0.554 4.902 4.350 -0.003 0.000 0.296 78 T C 0.039 174.616 174.700 -0.204 0.000 0.940 78 T CA 0.020 62.048 62.100 -0.120 0.000 1.013 78 T CB 0.397 69.223 68.868 -0.070 0.000 0.912 78 T HN 0.380 nan 8.240 nan 0.000 0.484 79 I N 3.335 123.646 120.570 -0.432 0.000 2.315 79 I HA 0.220 4.388 4.170 -0.003 0.000 0.291 79 I C 0.179 176.021 176.117 -0.458 0.000 1.006 79 I CA -0.889 60.103 61.300 -0.515 0.000 1.265 79 I CB 1.425 38.947 38.000 -0.796 0.000 1.387 79 I HN 0.297 nan 8.210 nan 0.000 0.475 80 V N 6.520 126.284 119.914 -0.250 0.000 2.223 80 V HA 0.119 4.237 4.120 -0.003 0.000 0.249 80 V C 1.335 177.392 176.094 -0.062 0.000 1.233 80 V CA 0.002 62.239 62.300 -0.106 0.000 1.131 80 V CB 0.169 31.986 31.823 -0.010 0.000 1.298 80 V HN 1.040 nan 8.190 nan 0.000 0.498 81 G N 2.285 111.043 108.800 -0.070 0.000 3.141 81 G HA2 0.009 3.967 3.960 -0.003 0.000 0.218 81 G HA3 0.009 3.967 3.960 -0.003 0.000 0.218 81 G C 0.268 175.231 174.900 0.106 0.000 1.170 81 G CA -0.081 45.050 45.100 0.051 0.000 0.769 81 G HN 0.620 nan 8.290 nan 0.000 0.546 82 D N 0.081 120.532 120.400 0.086 0.000 2.392 82 D HA 0.346 4.984 4.640 -0.003 0.000 0.228 82 D C -1.599 174.653 176.300 -0.080 0.000 1.074 82 D CA -2.476 51.563 54.000 0.065 0.000 0.838 82 D CB 2.157 43.031 40.800 0.122 0.000 1.067 82 D HN -0.103 nan 8.370 nan 0.000 0.511 83 P HA -0.135 nan 4.420 nan 0.000 0.221 83 P C 1.001 177.929 177.300 -0.619 0.000 1.145 83 P CA 0.935 63.551 63.100 -0.807 0.000 0.795 83 P CB 0.092 31.486 31.700 -0.511 0.000 0.775 84 H N -0.372 118.589 119.070 -0.181 0.000 2.456 84 H HA -0.029 4.526 4.556 -0.002 0.000 0.296 84 H C 1.146 176.462 175.328 -0.019 0.000 1.079 84 H CA 1.035 57.037 56.048 -0.076 0.000 1.322 84 H CB -0.056 29.684 29.762 -0.036 0.000 1.388 84 H HN 0.277 nan 8.280 nan 0.000 0.538 85 E N -0.140 120.110 120.200 0.084 0.000 2.476 85 E HA 0.010 4.358 4.350 -0.003 0.000 0.196 85 E C 1.372 178.118 176.600 0.243 0.000 1.029 85 E CA -0.126 56.362 56.400 0.147 0.000 0.896 85 E CB -0.059 29.727 29.700 0.143 0.000 1.012 85 E HN 0.675 nan 8.360 nan 0.000 0.475 86 H N 1.115 120.303 119.070 0.196 0.000 2.362 86 H HA -0.186 4.368 4.556 -0.003 0.000 0.294 86 H C 2.414 177.998 175.328 0.427 0.000 1.113 86 H CA 1.750 57.998 56.048 0.333 0.000 1.253 86 H CB 0.202 30.191 29.762 0.378 0.000 1.363 86 H HN 0.175 nan 8.280 nan 0.000 0.494 87 S N 0.847 116.806 115.700 0.431 0.000 2.419 87 S HA -0.148 4.321 4.470 -0.003 0.000 0.235 87 S C 1.960 176.716 174.600 0.261 0.000 1.019 87 S CA 0.777 59.179 58.200 0.337 0.000 0.982 87 S CB -0.022 63.306 63.200 0.214 0.000 0.789 87 S HN 0.299 nan 8.310 nan 0.000 0.490 88 R N 0.047 120.681 120.500 0.223 0.000 2.189 88 R HA 0.174 4.513 4.340 -0.003 0.000 0.223 88 R C 1.756 178.134 176.300 0.130 0.000 1.092 88 R CA 0.860 57.051 56.100 0.151 0.000 0.989 88 R CB -1.210 29.172 30.300 0.137 0.000 0.876 88 R HN 0.658 nan 8.270 nan 0.000 0.457 89 F N -0.289 119.645 119.950 -0.027 0.000 2.220 89 F HA 0.046 4.571 4.527 -0.002 0.000 0.290 89 F C 1.604 177.259 175.800 -0.241 0.000 1.080 89 F CA 0.960 58.822 58.000 -0.231 0.000 1.318 89 F CB -0.086 38.615 39.000 -0.499 0.000 1.063 89 F HN -0.184 nan 8.300 nan 0.000 0.498 90 F N 0.018 120.094 119.950 0.210 0.000 2.416 90 F HA 0.037 4.563 4.527 -0.003 0.000 0.296 90 F C 1.959 177.781 175.800 0.037 0.000 1.099 90 F CA 0.595 58.675 58.000 0.134 0.000 1.427 90 F CB -0.245 38.890 39.000 0.224 0.000 1.079 90 F HN -0.084 nan 8.300 nan 0.000 0.536 91 L N -0.460 120.880 121.223 0.194 0.000 2.127 91 L HA 0.047 4.385 4.340 -0.003 0.000 0.203 91 L C -1.336 175.547 176.870 0.022 0.000 1.080 91 L CA 0.031 54.933 54.840 0.103 0.000 0.768 91 L CB -1.798 40.323 42.059 0.103 0.000 0.924 91 L HN -0.061 nan 8.230 nan 0.000 0.444 92 P HA -0.023 nan 4.420 nan 0.000 0.266 92 P C -0.396 176.862 177.300 -0.070 0.000 1.193 92 P CA 0.114 63.187 63.100 -0.046 0.000 0.770 92 P CB 0.285 31.943 31.700 -0.070 0.000 0.836 93 R N 2.233 122.688 120.500 -0.075 0.000 2.801 93 R HA 0.177 4.516 4.340 -0.003 0.000 0.273 93 R C 0.776 176.975 176.300 -0.168 0.000 1.080 93 R CA -0.385 55.650 56.100 -0.109 0.000 1.197 93 R CB 0.019 30.262 30.300 -0.094 0.000 1.109 93 R HN 0.293 nan 8.270 nan 0.000 0.535 94 N N 0.946 119.486 118.700 -0.267 0.000 2.149 94 N HA -0.167 4.572 4.740 -0.003 0.000 0.188 94 N C 1.150 176.266 175.510 -0.657 0.000 1.019 94 N CA 1.576 54.320 53.050 -0.511 0.000 0.857 94 N CB -0.159 37.775 38.487 -0.922 0.000 0.997 94 N HN 0.567 nan 8.380 nan 0.000 0.426 95 E N 0.048 119.973 120.200 -0.458 0.000 2.153 95 E HA -0.054 4.294 4.350 -0.003 0.000 0.194 95 E C 1.985 178.550 176.600 -0.059 0.000 0.988 95 E CA 0.449 56.766 56.400 -0.138 0.000 0.811 95 E CB -0.007 29.687 29.700 -0.010 0.000 0.746 95 E HN 0.148 nan 8.360 nan 0.000 0.466 96 V N -0.239 119.619 119.914 -0.092 0.000 2.436 96 V HA 0.064 4.183 4.120 -0.003 0.000 0.240 96 V C 0.817 176.867 176.094 -0.074 0.000 1.040 96 V CA 0.670 62.936 62.300 -0.057 0.000 1.052 96 V CB -0.005 31.789 31.823 -0.050 0.000 0.707 96 V HN 0.100 nan 8.190 nan 0.000 0.469 97 L N 0.863 122.013 121.223 -0.121 0.000 2.316 97 L HA 0.502 4.840 4.340 -0.003 0.000 0.280 97 L C -0.336 176.441 176.870 -0.154 0.000 1.006 97 L CA 0.104 54.854 54.840 -0.149 0.000 0.836 97 L CB 1.664 43.577 42.059 -0.243 0.000 1.221 97 L HN 0.089 nan 8.230 nan 0.000 0.418 98 S N 4.287 119.930 115.700 -0.096 0.000 2.442 98 S HA 0.504 4.972 4.470 -0.003 0.000 0.297 98 S C -1.684 172.882 174.600 -0.056 0.000 1.131 98 S CA -1.407 56.772 58.200 -0.036 0.000 1.092 98 S CB 1.346 64.619 63.200 0.122 0.000 0.998 98 S HN 0.421 nan 8.310 nan 0.000 0.478 99 P HA 0.079 nan 4.420 nan 0.000 0.249 99 P C 1.105 178.376 177.300 -0.047 0.000 1.229 99 P CA 0.006 62.990 63.100 -0.193 0.000 0.788 99 P CB 0.113 31.472 31.700 -0.568 0.000 1.072 100 R N 1.357 121.930 120.500 0.123 0.000 2.073 100 R HA -0.149 4.189 4.340 -0.003 0.000 0.234 100 R C 1.724 178.109 176.300 0.142 0.000 1.134 100 R CA 1.680 57.900 56.100 0.200 0.000 0.952 100 R CB -0.290 30.145 30.300 0.226 0.000 0.850 100 R HN -0.023 nan 8.270 nan 0.000 0.433 101 E N -0.053 120.193 120.200 0.077 0.000 2.110 101 E HA -0.118 4.231 4.350 -0.003 0.000 0.193 101 E C 1.880 178.476 176.600 -0.007 0.000 0.988 101 E CA 1.208 57.624 56.400 0.027 0.000 0.804 101 E CB -0.034 29.659 29.700 -0.012 0.000 0.745 101 E HN 0.137 nan 8.360 nan 0.000 0.458 102 V N -0.142 119.754 119.914 -0.030 0.000 2.626 102 V HA -0.207 3.912 4.120 -0.003 0.000 0.252 102 V C 1.077 177.118 176.094 -0.088 0.000 1.067 102 V CA 1.428 63.657 62.300 -0.118 0.000 1.081 102 V CB -0.407 31.319 31.823 -0.162 0.000 0.686 102 V HN 0.329 nan 8.190 nan 0.000 0.468 103 Y N -0.352 119.955 120.300 0.013 0.000 2.468 103 Y HA 0.115 4.663 4.550 -0.002 0.000 0.268 103 Y C 2.394 178.280 175.900 -0.024 0.000 1.177 103 Y CA 0.203 58.308 58.100 0.008 0.000 1.265 103 Y CB 0.032 38.519 38.460 0.046 0.000 1.103 103 Y HN 0.157 nan 8.280 nan 0.000 0.522 104 S N 0.408 116.191 115.700 0.138 0.000 2.383 104 S HA -0.243 4.226 4.470 -0.003 0.000 0.229 104 S C 1.792 176.416 174.600 0.040 0.000 1.030 104 S CA 1.683 59.937 58.200 0.089 0.000 1.002 104 S CB -0.807 62.440 63.200 0.078 0.000 0.829 104 S HN 0.738 nan 8.310 nan 0.000 0.467 105 F N 0.752 120.652 119.950 -0.084 0.000 2.408 105 F HA 0.175 4.700 4.527 -0.003 0.000 0.300 105 F C 1.712 177.417 175.800 -0.159 0.000 1.090 105 F CA 0.640 58.574 58.000 -0.110 0.000 1.427 105 F CB -0.625 38.304 39.000 -0.117 0.000 1.070 105 F HN 0.077 nan 8.300 nan 0.000 0.549 106 M N -0.011 119.089 119.600 -0.832 0.000 2.371 106 M HA 0.091 4.570 4.480 -0.003 0.000 0.246 106 M C 1.633 177.518 176.300 -0.692 0.000 1.103 106 M CA -0.072 54.643 55.300 -0.974 0.000 1.010 106 M CB 0.393 32.202 32.600 -1.319 0.000 1.457 106 M HN 0.112 nan 8.290 nan 0.000 0.486 107 V N 1.633 121.358 119.914 -0.315 0.000 2.332 107 V HA -0.172 3.947 4.120 -0.003 0.000 0.248 107 V C -0.666 175.361 176.094 -0.111 0.000 1.055 107 V CA 2.014 64.244 62.300 -0.116 0.000 1.038 107 V CB -1.606 30.226 31.823 0.015 0.000 0.651 107 V HN 0.295 nan 8.190 nan 0.000 0.450 108 P HA -0.065 nan 4.420 nan 0.000 0.225 108 P C 1.632 178.790 177.300 -0.237 0.000 1.148 108 P CA 0.977 63.937 63.100 -0.234 0.000 0.779 108 P CB 0.057 31.468 31.700 -0.483 0.000 0.780 109 V N -1.604 118.090 119.914 -0.366 0.000 2.341 109 V HA -0.099 4.020 4.120 -0.003 0.000 0.240 109 V C 2.016 177.994 176.094 -0.193 0.000 1.035 109 V CA 1.460 63.523 62.300 -0.394 0.000 1.033 109 V CB -1.259 30.091 31.823 -0.788 0.000 0.678 109 V HN 0.035 nan 8.190 nan 0.000 0.464 110 F N 0.940 120.784 119.950 -0.176 0.000 2.325 110 F HA 0.356 4.881 4.527 -0.003 0.000 0.299 110 F C 1.435 177.157 175.800 -0.129 0.000 1.090 110 F CA 0.690 58.610 58.000 -0.134 0.000 1.392 110 F CB -0.237 38.699 39.000 -0.107 0.000 1.053 110 F HN 0.407 nan 8.300 nan 0.000 0.521 111 G N 0.778 109.634 108.800 0.094 0.000 2.629 111 G HA2 -0.147 3.812 3.960 -0.003 0.000 0.686 111 G HA3 -0.147 3.812 3.960 -0.003 0.000 0.686 111 G C -0.908 174.124 174.900 0.220 0.000 1.232 111 G CA -1.212 43.965 45.100 0.129 0.000 0.803 111 G HN 0.007 nan 8.290 nan 0.000 0.638 112 E N 0.349 120.754 120.200 0.341 0.000 2.465 112 E HA 0.368 4.716 4.350 -0.003 0.000 0.260 112 E C 1.480 178.225 176.600 0.242 0.000 0.980 112 E CA 1.392 57.933 56.400 0.235 0.000 0.927 112 E CB 0.628 30.410 29.700 0.137 0.000 0.934 112 E HN 2.218 nan 8.360 nan 0.000 0.459 113 G N 2.275 111.159 108.800 0.140 0.000 2.233 113 G HA2 -0.280 3.679 3.960 -0.003 0.000 0.270 113 G HA3 -0.280 3.679 3.960 -0.003 0.000 0.270 113 G C 0.238 175.196 174.900 0.096 0.000 1.011 113 G CA 0.516 45.673 45.100 0.096 0.000 0.762 113 G HN 0.336 nan 8.290 nan 0.000 0.511 114 V N -0.480 119.499 119.914 0.109 0.000 2.532 114 V HA 0.793 4.912 4.120 -0.003 0.000 0.295 114 V C 1.417 177.516 176.094 0.010 0.000 1.041 114 V CA 0.273 62.601 62.300 0.048 0.000 0.926 114 V CB 0.820 32.651 31.823 0.012 0.000 0.992 114 V HN 2.097 nan 8.190 nan 0.000 0.457 115 A N 3.761 126.513 122.820 -0.114 0.000 5.308 115 A HA -0.325 3.993 4.320 -0.003 0.000 0.321 115 A C 1.111 178.569 177.584 -0.210 0.000 1.849 115 A CA 2.233 54.080 52.037 -0.315 0.000 0.713 115 A CB -1.960 16.677 19.000 -0.604 0.000 1.360 115 A HN 0.980 nan 8.150 nan 0.000 0.384 116 Y N 0.134 120.434 120.300 -0.001 0.000 2.497 116 Y HA 0.119 4.667 4.550 -0.003 0.000 0.292 116 Y C 2.818 178.772 175.900 0.090 0.000 1.137 116 Y CA 1.480 59.615 58.100 0.057 0.000 1.285 116 Y CB -0.424 38.056 38.460 0.033 0.000 0.991 116 Y HN 0.718 nan 8.280 nan 0.000 0.556 117 A N 0.577 123.522 122.820 0.209 0.000 2.014 117 A HA 0.221 4.539 4.320 -0.003 0.000 0.218 117 A C 1.645 179.266 177.584 0.062 0.000 1.163 117 A CA 0.567 52.687 52.037 0.137 0.000 0.652 117 A CB -0.848 18.236 19.000 0.141 0.000 0.808 117 A HN 0.259 nan 8.150 nan 0.000 0.449 118 A N 0.469 123.315 122.820 0.043 0.000 2.406 118 A HA 0.502 4.821 4.320 -0.003 0.000 0.243 118 A C -2.293 175.266 177.584 -0.042 0.000 1.082 118 A CA -1.114 50.921 52.037 -0.003 0.000 0.786 118 A CB -0.493 18.502 19.000 -0.008 0.000 1.029 118 A HN 0.246 nan 8.150 nan 0.000 0.495 119 P HA 0.046 nan 4.420 nan 0.000 0.267 119 P C 0.111 177.376 177.300 -0.058 0.000 1.200 119 P CA 0.303 63.309 63.100 -0.157 0.000 0.772 119 P CB 0.095 31.725 31.700 -0.116 0.000 0.855 120 Y N 2.492 122.810 120.300 0.030 0.000 2.069 120 Y HA -0.243 4.306 4.550 -0.003 0.000 0.278 120 Y C -0.322 175.585 175.900 0.013 0.000 1.175 120 Y CA 1.416 59.538 58.100 0.038 0.000 1.134 120 Y CB -2.407 36.080 38.460 0.044 0.000 0.965 120 Y HN 0.456 nan 8.280 nan 0.000 0.498 121 P HA -0.174 nan 4.420 nan 0.000 0.216 121 P C 1.308 178.636 177.300 0.046 0.000 1.150 121 P CA 1.591 64.738 63.100 0.079 0.000 0.837 121 P CB 0.029 31.760 31.700 0.052 0.000 0.786 122 R N -0.271 120.241 120.500 0.020 0.000 2.073 122 R HA 0.027 4.365 4.340 -0.003 0.000 0.229 122 R C 2.259 178.580 176.300 0.034 0.000 1.120 122 R CA 1.288 57.381 56.100 -0.011 0.000 0.967 122 R CB -1.622 28.621 30.300 -0.094 0.000 0.862 122 R HN 0.091 nan 8.270 nan 0.000 0.436 123 M N -0.088 119.533 119.600 0.034 0.000 2.089 123 M HA -0.287 4.191 4.480 -0.003 0.000 0.257 123 M C 2.044 178.340 176.300 -0.006 0.000 1.071 123 M CA 2.203 57.509 55.300 0.011 0.000 1.096 123 M CB -0.195 32.440 32.600 0.059 0.000 1.330 123 M HN 0.067 nan 8.290 nan 0.000 0.403 124 R N 0.473 120.982 120.500 0.016 0.000 2.081 124 R HA -0.117 4.222 4.340 -0.003 0.000 0.235 124 R C 1.860 178.124 176.300 -0.061 0.000 1.131 124 R CA 2.217 58.300 56.100 -0.029 0.000 0.960 124 R CB -0.427 29.860 30.300 -0.022 0.000 0.856 124 R HN 0.586 nan 8.270 nan 0.000 0.436 125 E N -0.259 119.934 120.200 -0.011 0.000 2.077 125 E HA -0.239 4.110 4.350 -0.003 0.000 0.193 125 E C 2.107 178.712 176.600 0.009 0.000 0.989 125 E CA 1.393 57.761 56.400 -0.053 0.000 0.800 125 E CB -0.050 29.794 29.700 0.239 0.000 0.746 125 E HN 0.508 nan 8.360 nan 0.000 0.452 126 Q N 0.470 120.392 119.800 0.204 0.000 2.046 126 Q HA -0.127 4.212 4.340 -0.003 0.000 0.200 126 Q C 2.420 178.466 176.000 0.077 0.000 0.975 126 Q CA 0.981 56.936 55.803 0.252 0.000 0.836 126 Q CB -0.107 28.728 28.738 0.161 0.000 0.896 126 Q HN 0.281 nan 8.270 nan 0.000 0.428 127 L N 0.841 122.038 121.223 -0.042 0.000 2.046 127 L HA -0.228 4.110 4.340 -0.003 0.000 0.208 127 L C 1.938 178.759 176.870 -0.081 0.000 1.077 127 L CA 0.883 55.668 54.840 -0.092 0.000 0.747 127 L CB -0.382 41.600 42.059 -0.129 0.000 0.896 127 L HN 0.254 nan 8.230 nan 0.000 0.432 128 N N -0.174 118.440 118.700 -0.144 0.000 2.104 128 N HA -0.190 4.549 4.740 -0.003 0.000 0.190 128 N C 1.702 177.088 175.510 -0.208 0.000 1.024 128 N CA 1.517 54.432 53.050 -0.225 0.000 0.853 128 N CB -0.421 37.839 38.487 -0.379 0.000 1.008 128 N HN 0.224 nan 8.380 nan 0.000 0.424 129 F N 0.088 120.009 119.950 -0.049 0.000 2.134 129 F HA -0.095 4.431 4.527 -0.003 0.000 0.299 129 F C 2.098 177.865 175.800 -0.054 0.000 1.097 129 F CA 0.255 58.217 58.000 -0.064 0.000 1.264 129 F CB -0.288 38.656 39.000 -0.094 0.000 1.001 129 F HN 0.050 nan 8.300 nan 0.000 0.479 130 L N 0.676 121.969 121.223 0.117 0.000 2.046 130 L HA -0.086 4.253 4.340 -0.003 0.000 0.208 130 L C 2.399 179.281 176.870 0.021 0.000 1.077 130 L CA 1.886 56.754 54.840 0.047 0.000 0.747 130 L CB -1.208 40.854 42.059 0.004 0.000 0.896 130 L HN 0.042 nan 8.230 nan 0.000 0.432 131 A N -0.625 122.195 122.820 0.000 0.000 1.908 131 A HA -0.255 4.063 4.320 -0.003 0.000 0.218 131 A C 2.151 179.730 177.584 -0.008 0.000 1.181 131 A CA 1.957 53.990 52.037 -0.007 0.000 0.627 131 A CB -0.707 18.273 19.000 -0.033 0.000 0.818 131 A HN 0.640 nan 8.150 nan 0.000 0.445 132 E N -0.349 119.846 120.200 -0.009 0.000 2.265 132 E HA -0.143 4.206 4.350 -0.003 0.000 0.196 132 E C 1.434 178.036 176.600 0.003 0.000 0.996 132 E CA 0.909 57.304 56.400 -0.009 0.000 0.832 132 E CB -0.037 29.672 29.700 0.015 0.000 0.756 132 E HN 0.536 nan 8.360 nan 0.000 0.491 133 E N -0.032 120.183 120.200 0.025 0.000 2.481 133 E HA -0.022 4.327 4.350 -0.003 0.000 0.195 133 E C 1.216 177.846 176.600 0.050 0.000 1.047 133 E CA 0.536 56.953 56.400 0.029 0.000 0.867 133 E CB 0.363 30.078 29.700 0.026 0.000 0.858 133 E HN 0.332 nan 8.360 nan 0.000 0.513 134 L N 0.669 121.926 121.223 0.056 0.000 3.069 134 L HA 0.143 4.481 4.340 -0.003 0.000 0.271 134 L C 0.786 177.787 176.870 0.218 0.000 1.201 134 L CA -0.177 54.758 54.840 0.157 0.000 1.015 134 L CB 0.454 42.564 42.059 0.084 0.000 1.371 134 L HN -0.066 nan 8.230 nan 0.000 0.574 135 T N -2.776 111.768 114.554 -0.018 0.000 2.862 135 T HA 0.306 4.655 4.350 -0.003 0.000 0.276 135 T C 1.502 175.763 174.700 -0.731 0.000 0.974 135 T CA -0.563 61.385 62.100 -0.253 0.000 0.966 135 T CB 1.425 70.177 68.868 -0.192 0.000 1.072 135 T HN 0.219 nan 8.240 nan 0.000 0.538 136 I N -0.720 119.330 120.570 -0.866 0.000 2.530 136 I HA 0.063 4.232 4.170 -0.003 0.000 0.257 136 I C 2.436 178.215 176.117 -0.563 0.000 1.179 136 I CA 1.292 61.982 61.300 -1.017 0.000 1.440 136 I CB -0.850 36.912 38.000 -0.396 0.000 1.087 136 I HN 0.673 nan 8.210 nan 0.000 0.440 137 A N 1.398 123.983 122.820 -0.392 0.000 2.131 137 A HA -0.116 4.202 4.320 -0.003 0.000 0.220 137 A C 2.133 179.553 177.584 -0.273 0.000 1.158 137 A CA 1.383 53.248 52.037 -0.286 0.000 0.665 137 A CB -0.401 18.480 19.000 -0.199 0.000 0.795 137 A HN 0.468 nan 8.150 nan 0.000 0.460 138 K N -1.340 118.878 120.400 -0.304 0.000 2.367 138 K HA 0.173 4.491 4.320 -0.003 0.000 0.194 138 K C 0.698 176.933 176.600 -0.609 0.000 1.027 138 K CA 0.095 56.126 56.287 -0.427 0.000 1.075 138 K CB -0.122 32.067 32.500 -0.517 0.000 0.845 138 K HN 0.464 nan 8.250 nan 0.000 0.529 139 F N 2.317 121.927 119.950 -0.566 0.000 2.558 139 F HA 0.036 4.561 4.527 -0.002 0.000 0.298 139 F C 2.205 177.987 175.800 -0.030 0.000 1.119 139 F CA 0.414 58.245 58.000 -0.282 0.000 1.451 139 F CB -0.274 38.839 39.000 0.187 0.000 1.091 139 F HN 0.010 nan 8.300 nan 0.000 0.563 140 Q N 0.123 119.943 119.800 0.033 0.000 2.084 140 Q HA -0.186 4.152 4.340 -0.003 0.000 0.202 140 Q C 1.762 177.818 176.000 0.092 0.000 0.978 140 Q CA 1.254 57.079 55.803 0.037 0.000 0.844 140 Q CB -0.510 28.167 28.738 -0.101 0.000 0.898 140 Q HN 0.347 nan 8.270 nan 0.000 0.426 141 N N -0.229 118.520 118.700 0.082 0.000 2.354 141 N HA -0.046 4.693 4.740 -0.003 0.000 0.179 141 N C 1.384 177.081 175.510 0.311 0.000 1.021 141 N CA 0.434 53.583 53.050 0.164 0.000 0.887 141 N CB -0.159 38.422 38.487 0.157 0.000 0.974 141 N HN 0.097 nan 8.380 nan 0.000 0.437 142 F N 0.729 120.727 119.950 0.081 0.000 2.095 142 F HA -0.092 4.433 4.527 -0.002 0.000 0.298 142 F C 2.347 178.155 175.800 0.013 0.000 1.104 142 F CA 0.421 58.445 58.000 0.039 0.000 1.232 142 F CB -1.100 37.890 39.000 -0.017 0.000 0.987 142 F HN -0.161 nan 8.300 nan 0.000 0.475 143 V N 1.080 121.135 119.914 0.235 0.000 2.255 143 V HA -0.250 3.869 4.120 -0.003 0.000 0.247 143 V C -0.193 175.957 176.094 0.094 0.000 1.051 143 V CA 2.283 64.654 62.300 0.120 0.000 1.018 143 V CB -1.855 30.032 31.823 0.107 0.000 0.641 143 V HN 0.150 nan 8.190 nan 0.000 0.445 144 P HA -0.169 nan 4.420 nan 0.000 0.215 144 P C 1.726 179.087 177.300 0.102 0.000 1.157 144 P CA 2.236 65.391 63.100 0.091 0.000 0.868 144 P CB -0.231 31.516 31.700 0.078 0.000 0.788 145 A N -0.515 122.366 122.820 0.102 0.000 1.883 145 A HA -0.215 4.103 4.320 -0.003 0.000 0.217 145 A C 2.276 179.907 177.584 0.079 0.000 1.186 145 A CA 1.846 53.939 52.037 0.092 0.000 0.624 145 A CB -1.728 17.308 19.000 0.061 0.000 0.822 145 A HN 0.116 nan 8.150 nan 0.000 0.444 146 I N -0.899 119.686 120.570 0.025 0.000 2.127 146 I HA -0.330 3.838 4.170 -0.003 0.000 0.241 146 I C 2.853 178.967 176.117 -0.006 0.000 1.075 146 I CA 1.891 63.172 61.300 -0.032 0.000 1.334 146 I CB -0.400 37.552 38.000 -0.079 0.000 1.040 146 I HN 0.445 nan 8.210 nan 0.000 0.405 147 Q N -0.321 119.499 119.800 0.033 0.000 2.124 147 Q HA -0.291 4.047 4.340 -0.003 0.000 0.202 147 Q C 2.207 178.242 176.000 0.058 0.000 0.977 147 Q CA 1.874 57.702 55.803 0.042 0.000 0.850 147 Q CB -0.140 28.635 28.738 0.062 0.000 0.901 147 Q HN 0.572 nan 8.270 nan 0.000 0.429 148 H N 0.492 119.565 119.070 0.004 0.000 2.319 148 H HA -0.114 4.440 4.556 -0.002 0.000 0.299 148 H C 1.764 177.090 175.328 -0.004 0.000 1.092 148 H CA 1.921 57.974 56.048 0.007 0.000 1.302 148 H CB 0.234 30.004 29.762 0.013 0.000 1.373 148 H HN 0.157 nan 8.280 nan 0.000 0.497 149 E N 0.053 120.183 120.200 -0.117 0.000 2.106 149 E HA -0.091 4.258 4.350 -0.003 0.000 0.192 149 E C 2.624 179.133 176.600 -0.152 0.000 0.984 149 E CA 1.019 57.315 56.400 -0.174 0.000 0.806 149 E CB -0.320 29.332 29.700 -0.080 0.000 0.750 149 E HN 0.395 nan 8.360 nan 0.000 0.458 150 V N 1.759 121.600 119.914 -0.123 0.000 2.295 150 V HA -0.247 3.872 4.120 -0.003 0.000 0.246 150 V C 2.430 178.465 176.094 -0.098 0.000 1.049 150 V CA 1.737 63.960 62.300 -0.128 0.000 1.024 150 V CB -0.452 31.313 31.823 -0.097 0.000 0.648 150 V HN 0.198 nan 8.190 nan 0.000 0.447 151 R N 0.053 120.508 120.500 -0.075 0.000 2.081 151 R HA -0.178 4.161 4.340 -0.003 0.000 0.235 151 R C 2.434 178.672 176.300 -0.104 0.000 1.131 151 R CA 1.496 57.563 56.100 -0.054 0.000 0.960 151 R CB -0.416 29.875 30.300 -0.014 0.000 0.856 151 R HN 0.478 nan 8.270 nan 0.000 0.436 152 K N 0.504 120.797 120.400 -0.178 0.000 2.032 152 K HA -0.198 4.121 4.320 -0.003 0.000 0.209 152 K C 1.997 178.508 176.600 -0.149 0.000 1.048 152 K CA 1.505 57.679 56.287 -0.189 0.000 0.927 152 K CB -0.231 32.095 32.500 -0.291 0.000 0.712 152 K HN 0.037 nan 8.250 nan 0.000 0.441 153 F N 1.584 121.361 119.950 -0.289 0.000 2.069 153 F HA -0.213 4.313 4.527 -0.003 0.000 0.298 153 F C 2.188 177.714 175.800 -0.457 0.000 1.113 153 F CA 1.836 59.626 58.000 -0.351 0.000 1.214 153 F CB -0.189 38.566 39.000 -0.407 0.000 0.978 153 F HN 0.001 nan 8.300 nan 0.000 0.474 154 M N 0.123 119.498 119.600 -0.375 0.000 2.108 154 M HA -0.229 4.250 4.480 -0.003 0.000 0.261 154 M C 2.424 178.576 176.300 -0.246 0.000 1.066 154 M CA 1.820 56.832 55.300 -0.480 0.000 1.107 154 M CB -0.858 31.638 32.600 -0.173 0.000 1.356 154 M HN 0.343 nan 8.290 nan 0.000 0.406 155 A N 0.147 122.874 122.820 -0.156 0.000 1.930 155 A HA 0.016 4.335 4.320 -0.003 0.000 0.217 155 A C 2.328 179.833 177.584 -0.132 0.000 1.175 155 A CA 1.817 53.801 52.037 -0.087 0.000 0.627 155 A CB -0.726 18.238 19.000 -0.061 0.000 0.815 155 A HN 0.508 nan 8.150 nan 0.000 0.443 156 A N -0.634 122.045 122.820 -0.235 0.000 1.975 156 A HA -0.020 4.299 4.320 -0.003 0.000 0.215 156 A C 1.831 179.249 177.584 -0.276 0.000 1.170 156 A CA 1.354 53.252 52.037 -0.232 0.000 0.656 156 A CB -0.187 18.666 19.000 -0.245 0.000 0.821 156 A HN 0.547 nan 8.150 nan 0.000 0.449 157 N N -2.297 116.120 118.700 -0.472 0.000 2.382 157 N HA 0.017 4.755 4.740 -0.003 0.000 0.200 157 N C -0.463 175.009 175.510 -0.063 0.000 1.122 157 N CA 0.243 53.051 53.050 -0.403 0.000 0.870 157 N CB 0.312 38.256 38.487 -0.906 0.000 1.176 157 N HN 0.565 nan 8.380 nan 0.000 0.474 158 W N 3.087 124.086 121.300 -0.501 0.000 1.843 158 W HA 0.316 4.975 4.660 -0.002 0.000 0.309 158 W C 0.321 176.662 176.519 -0.297 0.000 0.773 158 W CA -1.175 55.652 57.345 -0.864 0.000 2.405 158 W CB -0.567 28.139 29.460 -1.256 0.000 2.324 158 W HN 0.077 nan 8.180 nan 0.000 0.517 159 D N -0.622 119.859 120.400 0.135 0.000 2.349 159 D HA 0.016 4.654 4.640 -0.003 0.000 0.214 159 D C 0.551 176.970 176.300 0.199 0.000 1.063 159 D CA 0.353 54.438 54.000 0.143 0.000 0.847 159 D CB 0.699 41.533 40.800 0.056 0.000 0.933 159 D HN -0.065 nan 8.370 nan 0.000 0.513 160 K N 0.439 121.038 120.400 0.333 0.000 2.354 160 K HA 0.205 4.524 4.320 -0.003 0.000 0.238 160 K C 0.574 177.325 176.600 0.251 0.000 1.068 160 K CA -0.682 55.744 56.287 0.231 0.000 0.925 160 K CB 0.815 33.416 32.500 0.167 0.000 1.286 160 K HN -0.294 nan 8.250 nan 0.000 0.500 161 D N 1.060 121.522 120.400 0.104 0.000 2.178 161 D HA -0.123 4.515 4.640 -0.003 0.000 0.201 161 D C 0.215 176.514 176.300 -0.002 0.000 0.980 161 D CA 1.423 55.455 54.000 0.053 0.000 0.842 161 D CB 0.477 41.277 40.800 -0.001 0.000 0.948 161 D HN 0.561 nan 8.370 nan 0.000 0.472 162 E N -2.068 118.040 120.200 -0.153 0.000 2.429 162 E HA 0.631 4.980 4.350 -0.003 0.000 0.280 162 E C -0.554 175.524 176.600 -0.869 0.000 1.068 162 E CA -1.271 54.785 56.400 -0.573 0.000 0.837 162 E CB 1.675 31.155 29.700 -0.366 0.000 1.357 162 E HN -0.025 nan 8.360 nan 0.000 0.455 163 G N 0.147 108.157 108.800 -1.317 0.000 2.519 163 G HA2 0.344 4.302 3.960 -0.003 0.000 0.292 163 G HA3 0.344 4.302 3.960 -0.003 0.000 0.292 163 G C -1.921 172.689 174.900 -0.484 0.000 1.507 163 G CA -0.821 43.805 45.100 -0.791 0.000 0.806 163 G HN 0.561 nan 8.290 nan 0.000 0.523 164 E N -0.111 119.990 120.200 -0.166 0.000 2.175 164 E HA 0.694 5.042 4.350 -0.003 0.000 0.278 164 E C -0.036 176.581 176.600 0.029 0.000 0.969 164 E CA -0.807 55.551 56.400 -0.070 0.000 0.796 164 E CB 1.270 30.936 29.700 -0.058 0.000 1.104 164 E HN 0.636 nan 8.360 nan 0.000 0.395 165 I N 0.627 121.220 120.570 0.039 0.000 2.994 165 I HA 0.478 4.646 4.170 -0.003 0.000 0.306 165 I C -0.960 175.189 176.117 0.053 0.000 1.195 165 I CA -1.204 60.153 61.300 0.096 0.000 1.001 165 I CB 2.099 40.198 38.000 0.165 0.000 1.244 165 I HN 0.309 nan 8.210 nan 0.000 0.437 166 N N 2.964 121.706 118.700 0.069 0.000 2.420 166 N HA 0.168 4.907 4.740 -0.003 0.000 0.249 166 N C 0.296 175.823 175.510 0.029 0.000 1.033 166 N CA -0.309 52.755 53.050 0.023 0.000 0.944 166 N CB 1.608 40.102 38.487 0.012 0.000 1.113 166 N HN 0.823 nan 8.380 nan 0.000 0.502 167 L N 5.347 126.553 121.223 -0.028 0.000 2.141 167 L HA -0.039 4.299 4.340 -0.003 0.000 0.209 167 L C 1.890 178.712 176.870 -0.080 0.000 1.094 167 L CA 1.259 56.069 54.840 -0.050 0.000 0.763 167 L CB -0.479 41.490 42.059 -0.150 0.000 0.908 167 L HN 0.594 nan 8.230 nan 0.000 0.437 168 L N -0.397 120.755 121.223 -0.118 0.000 2.046 168 L HA -0.184 4.154 4.340 -0.003 0.000 0.208 168 L C 2.351 179.166 176.870 -0.091 0.000 1.077 168 L CA 1.794 56.548 54.840 -0.143 0.000 0.747 168 L CB -0.614 41.338 42.059 -0.178 0.000 0.896 168 L HN 0.368 nan 8.230 nan 0.000 0.432 169 E N -0.728 119.443 120.200 -0.048 0.000 2.072 169 E HA -0.202 4.146 4.350 -0.003 0.000 0.191 169 E C 1.731 178.317 176.600 -0.023 0.000 0.985 169 E CA 1.299 57.687 56.400 -0.020 0.000 0.801 169 E CB -0.061 29.651 29.700 0.020 0.000 0.750 169 E HN 0.526 nan 8.360 nan 0.000 0.452 170 D N -0.000 120.415 120.400 0.025 0.000 2.123 170 D HA -0.105 4.534 4.640 -0.003 0.000 0.200 170 D C 1.929 178.038 176.300 -0.317 0.000 0.976 170 D CA 0.690 54.678 54.000 -0.020 0.000 0.831 170 D CB -0.442 40.570 40.800 0.353 0.000 0.974 170 D HN 0.184 nan 8.370 nan 0.000 0.469 171 C N 0.437 119.627 119.300 -0.183 0.000 2.413 171 C HA -0.092 4.366 4.460 -0.003 0.000 0.276 171 C C 2.931 177.782 174.990 -0.231 0.000 1.248 171 C CA 0.857 59.741 59.018 -0.223 0.000 1.742 171 C CB -0.892 26.759 27.740 -0.148 0.000 2.017 171 C HN 0.290 nan 8.230 nan 0.000 0.481 172 S N 0.374 115.972 115.700 -0.170 0.000 2.356 172 S HA -0.170 4.298 4.470 -0.003 0.000 0.223 172 S C 1.884 176.371 174.600 -0.188 0.000 1.032 172 S CA 2.035 60.151 58.200 -0.139 0.000 1.005 172 S CB -0.618 62.541 63.200 -0.068 0.000 0.867 172 S HN 0.716 nan 8.310 nan 0.000 0.449 173 T N 2.649 117.068 114.554 -0.225 0.000 2.684 173 T HA -0.049 4.300 4.350 -0.003 0.000 0.267 173 T C 1.834 176.309 174.700 -0.376 0.000 1.036 173 T CA 1.270 63.219 62.100 -0.252 0.000 1.148 173 T CB -0.350 68.396 68.868 -0.204 0.000 0.863 173 T HN 0.309 nan 8.240 nan 0.000 0.436 174 M N 0.267 119.512 119.600 -0.592 0.000 2.108 174 M HA -0.064 4.415 4.480 -0.003 0.000 0.261 174 M C 2.145 178.258 176.300 -0.311 0.000 1.066 174 M CA 1.406 56.387 55.300 -0.532 0.000 1.107 174 M CB -0.402 31.826 32.600 -0.620 0.000 1.356 174 M HN 0.179 nan 8.290 nan 0.000 0.406 175 I N -0.027 120.386 120.570 -0.262 0.000 2.252 175 I HA -0.243 3.926 4.170 -0.003 0.000 0.245 175 I C 2.381 178.393 176.117 -0.176 0.000 1.102 175 I CA 1.427 62.604 61.300 -0.205 0.000 1.385 175 I CB -0.820 37.076 38.000 -0.173 0.000 1.064 175 I HN 0.324 nan 8.210 nan 0.000 0.414 176 I N 1.166 121.633 120.570 -0.171 0.000 2.226 176 I HA -0.329 3.839 4.170 -0.003 0.000 0.245 176 I C 2.212 178.270 176.117 -0.098 0.000 1.100 176 I CA 1.444 62.656 61.300 -0.146 0.000 1.374 176 I CB -0.104 37.809 38.000 -0.146 0.000 1.057 176 I HN 0.245 nan 8.210 nan 0.000 0.413 177 N N 0.475 119.112 118.700 -0.105 0.000 2.106 177 N HA -0.181 4.558 4.740 -0.003 0.000 0.188 177 N C 1.906 177.376 175.510 -0.066 0.000 1.029 177 N CA 2.239 55.252 53.050 -0.063 0.000 0.848 177 N CB -1.065 37.374 38.487 -0.080 0.000 1.007 177 N HN 0.523 nan 8.380 nan 0.000 0.423 178 T N -0.951 113.532 114.554 -0.118 0.000 2.708 178 T HA -0.018 4.331 4.350 -0.003 0.000 0.266 178 T C 2.047 176.675 174.700 -0.120 0.000 1.037 178 T CA 1.567 63.592 62.100 -0.125 0.000 1.146 178 T CB -0.652 68.109 68.868 -0.177 0.000 0.865 178 T HN 0.180 nan 8.240 nan 0.000 0.435 179 A N 0.848 123.605 122.820 -0.105 0.000 1.883 179 A HA -0.089 4.229 4.320 -0.003 0.000 0.217 179 A C 2.855 180.351 177.584 -0.146 0.000 1.186 179 A CA 1.789 53.805 52.037 -0.034 0.000 0.624 179 A CB -1.557 17.438 19.000 -0.008 0.000 0.822 179 A HN 0.735 nan 8.150 nan 0.000 0.444 180 C N -1.618 117.654 119.300 -0.048 0.000 2.432 180 C HA -0.096 4.362 4.460 -0.003 0.000 0.277 180 C C 2.864 177.876 174.990 0.036 0.000 1.249 180 C CA 1.415 60.498 59.018 0.108 0.000 1.725 180 C CB -1.161 26.748 27.740 0.281 0.000 2.028 180 C HN 0.765 nan 8.230 nan 0.000 0.477 181 Q N -0.066 119.739 119.800 0.007 0.000 2.135 181 Q HA -0.168 4.170 4.340 -0.003 0.000 0.204 181 Q C 2.141 178.083 176.000 -0.098 0.000 0.981 181 Q CA 2.122 57.930 55.803 0.007 0.000 0.856 181 Q CB -0.561 28.201 28.738 0.040 0.000 0.902 181 Q HN 0.717 nan 8.270 nan 0.000 0.425 182 C N -0.889 118.256 119.300 -0.259 0.000 2.462 182 C HA -0.031 4.427 4.460 -0.003 0.000 0.278 182 C C 2.375 176.995 174.990 -0.616 0.000 1.253 182 C CA 0.702 59.365 59.018 -0.592 0.000 1.713 182 C CB -0.974 26.185 27.740 -0.969 0.000 2.049 182 C HN 0.538 nan 8.230 nan 0.000 0.477 183 L N -1.598 119.211 121.223 -0.691 0.000 2.418 183 L HA 0.166 4.505 4.340 -0.003 0.000 0.218 183 L C -0.134 176.324 176.870 -0.688 0.000 1.125 183 L CA 0.718 55.077 54.840 -0.802 0.000 0.835 183 L CB -0.226 41.131 42.059 -1.171 0.000 0.953 183 L HN 0.278 nan 8.230 nan 0.000 0.454 184 F N -0.580 119.363 119.950 -0.011 0.000 2.529 184 F HA 0.523 5.048 4.527 -0.003 0.000 0.320 184 F C 1.018 176.835 175.800 0.029 0.000 1.118 184 F CA -1.155 56.862 58.000 0.028 0.000 0.915 184 F CB 1.179 40.212 39.000 0.055 0.000 1.161 184 F HN -0.209 nan 8.300 nan 0.000 0.445 185 G N 1.027 109.967 108.800 0.234 0.000 2.630 185 G HA2 -0.025 3.934 3.960 -0.003 0.000 0.236 185 G HA3 -0.025 3.934 3.960 -0.003 0.000 0.236 185 G C 0.702 175.673 174.900 0.118 0.000 1.248 185 G CA -0.229 44.952 45.100 0.134 0.000 0.844 185 G HN 0.926 nan 8.290 nan 0.000 0.588 186 E N 0.221 120.468 120.200 0.078 0.000 2.265 186 E HA -0.183 4.165 4.350 -0.003 0.000 0.196 186 E C 1.864 178.491 176.600 0.045 0.000 0.996 186 E CA 1.413 57.851 56.400 0.063 0.000 0.832 186 E CB 0.074 29.800 29.700 0.042 0.000 0.756 186 E HN 0.666 nan 8.360 nan 0.000 0.491 187 D N 1.062 121.482 120.400 0.034 0.000 2.097 187 D HA -0.229 4.410 4.640 -0.003 0.000 0.195 187 D C 2.083 178.379 176.300 -0.007 0.000 0.989 187 D CA 0.488 54.495 54.000 0.011 0.000 0.827 187 D CB -0.739 40.063 40.800 0.004 0.000 0.966 187 D HN 0.217 nan 8.370 nan 0.000 0.456 188 L N 1.305 122.524 121.223 -0.007 0.000 1.990 188 L HA -0.150 4.188 4.340 -0.003 0.000 0.213 188 L C 2.340 179.186 176.870 -0.041 0.000 1.072 188 L CA 1.745 56.545 54.840 -0.067 0.000 0.755 188 L CB -0.852 41.157 42.059 -0.084 0.000 0.889 188 L HN 0.004 nan 8.230 nan 0.000 0.432 189 R N 0.054 120.579 120.500 0.040 0.000 2.152 189 R HA -0.184 4.155 4.340 -0.003 0.000 0.232 189 R C 2.070 178.390 176.300 0.034 0.000 1.117 189 R CA 1.615 57.756 56.100 0.068 0.000 0.981 189 R CB -0.234 30.129 30.300 0.104 0.000 0.870 189 R HN 0.633 nan 8.270 nan 0.000 0.451 190 K N -0.008 120.401 120.400 0.015 0.000 2.137 190 K HA -0.066 4.253 4.320 -0.003 0.000 0.202 190 K C 2.152 178.745 176.600 -0.012 0.000 1.052 190 K CA 0.655 56.946 56.287 0.008 0.000 0.961 190 K CB -0.076 32.429 32.500 0.008 0.000 0.741 190 K HN -0.051 nan 8.250 nan 0.000 0.452 191 R N 0.322 120.801 120.500 -0.034 0.000 2.057 191 R HA 0.095 4.434 4.340 -0.003 0.000 0.224 191 R C 0.197 176.451 176.300 -0.077 0.000 1.136 191 R CA 0.507 56.574 56.100 -0.055 0.000 0.968 191 R CB 0.033 30.290 30.300 -0.071 0.000 0.863 191 R HN 0.180 nan 8.270 nan 0.000 0.433 192 L N 3.139 124.290 121.223 -0.120 0.000 2.407 192 L HA 0.180 4.518 4.340 -0.003 0.000 0.261 192 L C -0.991 175.846 176.870 -0.054 0.000 1.108 192 L CA -0.505 54.235 54.840 -0.166 0.000 0.995 192 L CB 0.432 42.254 42.059 -0.394 0.000 1.349 192 L HN 0.199 nan 8.230 nan 0.000 0.423 193 D N 2.111 122.516 120.400 0.008 0.000 2.358 193 D HA 0.077 4.716 4.640 -0.003 0.000 0.244 193 D C 1.040 177.418 176.300 0.129 0.000 1.163 193 D CA 0.201 54.241 54.000 0.066 0.000 0.945 193 D CB 1.223 42.050 40.800 0.046 0.000 1.152 193 D HN 0.391 nan 8.370 nan 0.000 0.451 194 A N 1.104 124.003 122.820 0.132 0.000 1.948 194 A HA -0.248 4.070 4.320 -0.003 0.000 0.220 194 A C 2.287 179.939 177.584 0.114 0.000 1.177 194 A CA 1.721 53.840 52.037 0.137 0.000 0.636 194 A CB -0.610 18.434 19.000 0.074 0.000 0.815 194 A HN 0.693 nan 8.150 nan 0.000 0.449 195 R N -0.992 119.559 120.500 0.084 0.000 2.062 195 R HA -0.072 4.267 4.340 -0.003 0.000 0.231 195 R C 2.491 178.841 176.300 0.083 0.000 1.136 195 R CA 1.555 57.695 56.100 0.066 0.000 0.948 195 R CB -0.236 30.093 30.300 0.048 0.000 0.845 195 R HN 0.520 nan 8.270 nan 0.000 0.430 196 R N -0.637 119.913 120.500 0.083 0.000 2.115 196 R HA -0.122 4.217 4.340 -0.003 0.000 0.230 196 R C 2.028 178.408 176.300 0.133 0.000 1.111 196 R CA 1.076 57.220 56.100 0.074 0.000 0.976 196 R CB -0.241 30.076 30.300 0.028 0.000 0.870 196 R HN 0.157 nan 8.270 nan 0.000 0.445 197 F N 0.896 120.843 119.950 -0.005 0.000 2.113 197 F HA -0.018 4.507 4.527 -0.003 0.000 0.297 197 F C 2.132 177.931 175.800 -0.002 0.000 1.103 197 F CA 1.043 59.041 58.000 -0.004 0.000 1.248 197 F CB -0.911 38.090 39.000 0.001 0.000 0.999 197 F HN 0.095 nan 8.300 nan 0.000 0.475 198 A N -0.163 122.768 122.820 0.186 0.000 1.908 198 A HA -0.262 4.057 4.320 -0.003 0.000 0.218 198 A C 2.161 179.785 177.584 0.067 0.000 1.181 198 A CA 1.876 53.938 52.037 0.041 0.000 0.627 198 A CB -0.907 18.093 19.000 -0.000 0.000 0.818 198 A HN 0.553 nan 8.150 nan 0.000 0.445 199 Q N -0.517 119.336 119.800 0.089 0.000 2.014 199 Q HA -0.174 4.165 4.340 -0.003 0.000 0.207 199 Q C 2.155 178.209 176.000 0.090 0.000 0.993 199 Q CA 1.795 57.642 55.803 0.072 0.000 0.850 199 Q CB -0.383 28.392 28.738 0.062 0.000 0.916 199 Q HN 0.687 nan 8.270 nan 0.000 0.417 200 L N 0.211 121.508 121.223 0.124 0.000 2.046 200 L HA -0.226 4.113 4.340 -0.003 0.000 0.208 200 L C 2.350 179.325 176.870 0.175 0.000 1.077 200 L CA 0.937 55.860 54.840 0.138 0.000 0.747 200 L CB -0.375 41.767 42.059 0.139 0.000 0.896 200 L HN 0.263 nan 8.230 nan 0.000 0.432 201 L N -0.642 120.697 121.223 0.194 0.000 2.056 201 L HA -0.167 4.171 4.340 -0.003 0.000 0.207 201 L C 2.858 179.768 176.870 0.066 0.000 1.078 201 L CA 1.111 56.042 54.840 0.151 0.000 0.749 201 L CB -0.710 41.331 42.059 -0.031 0.000 0.901 201 L HN 0.221 nan 8.230 nan 0.000 0.433 202 A N 0.071 122.905 122.820 0.023 0.000 1.933 202 A HA -0.265 4.053 4.320 -0.003 0.000 0.218 202 A C 2.375 180.009 177.584 0.083 0.000 1.175 202 A CA 2.014 54.070 52.037 0.031 0.000 0.628 202 A CB -0.444 18.572 19.000 0.025 0.000 0.814 202 A HN 0.352 nan 8.150 nan 0.000 0.444 203 K N -0.793 119.664 120.400 0.094 0.000 2.026 203 K HA -0.102 4.216 4.320 -0.003 0.000 0.208 203 K C 2.078 178.747 176.600 0.115 0.000 1.048 203 K CA 1.723 58.066 56.287 0.093 0.000 0.929 203 K CB -0.261 32.288 32.500 0.081 0.000 0.713 203 K HN 0.493 nan 8.250 nan 0.000 0.439 204 M N 0.513 120.213 119.600 0.166 0.000 2.086 204 M HA -0.177 4.301 4.480 -0.003 0.000 0.261 204 M C 2.324 178.775 176.300 0.251 0.000 1.067 204 M CA 1.779 57.191 55.300 0.186 0.000 1.116 204 M CB -0.344 32.409 32.600 0.254 0.000 1.348 204 M HN 0.300 nan 8.290 nan 0.000 0.407 205 E N 0.479 120.911 120.200 0.388 0.000 2.058 205 E HA -0.215 4.133 4.350 -0.003 0.000 0.194 205 E C 1.908 178.638 176.600 0.216 0.000 0.997 205 E CA 1.900 58.532 56.400 0.387 0.000 0.801 205 E CB -0.008 29.802 29.700 0.184 0.000 0.746 205 E HN 0.497 nan 8.360 nan 0.000 0.450 206 S N -0.394 115.393 115.700 0.146 0.000 2.469 206 S HA -0.057 4.412 4.470 -0.003 0.000 0.238 206 S C 1.863 176.517 174.600 0.091 0.000 0.998 206 S CA 1.229 59.492 58.200 0.105 0.000 0.957 206 S CB -0.050 63.197 63.200 0.079 0.000 0.764 206 S HN 0.133 nan 8.310 nan 0.000 0.514 207 S N 1.053 116.806 115.700 0.088 0.000 2.562 207 S HA 0.342 4.810 4.470 -0.003 0.000 0.221 207 S C 0.558 175.197 174.600 0.064 0.000 0.975 207 S CA -0.168 58.066 58.200 0.056 0.000 0.918 207 S CB -0.355 62.857 63.200 0.020 0.000 0.772 207 S HN 0.472 nan 8.310 nan 0.000 0.531 208 L N 1.941 123.229 121.223 0.108 0.000 2.426 208 L HA 0.302 4.641 4.340 -0.003 0.000 0.271 208 L C -0.212 176.758 176.870 0.166 0.000 1.169 208 L CA 0.205 55.145 54.840 0.167 0.000 0.836 208 L CB 0.436 42.646 42.059 0.252 0.000 1.112 208 L HN 0.160 nan 8.230 nan 0.000 0.465 209 I N 4.052 124.735 120.570 0.190 0.000 2.555 209 I HA 0.191 4.359 4.170 -0.003 0.000 0.275 209 I C -1.665 174.380 176.117 -0.120 0.000 1.082 209 I CA -1.543 59.792 61.300 0.059 0.000 1.167 209 I CB 1.209 39.230 38.000 0.035 0.000 1.312 209 I HN 0.409 nan 8.210 nan 0.000 0.493 210 P HA -0.256 nan 4.420 nan 0.000 0.216 210 P C 1.659 178.589 177.300 -0.616 0.000 1.154 210 P CA 1.345 63.938 63.100 -0.844 0.000 0.865 210 P CB 0.298 31.777 31.700 -0.368 0.000 0.789 211 A N -0.215 122.458 122.820 -0.245 0.000 2.131 211 A HA -0.129 4.190 4.320 -0.003 0.000 0.220 211 A C 2.226 179.765 177.584 -0.075 0.000 1.158 211 A CA 1.756 53.746 52.037 -0.077 0.000 0.665 211 A CB -1.476 17.505 19.000 -0.033 0.000 0.795 211 A HN 0.226 nan 8.150 nan 0.000 0.460 212 A N -0.569 122.156 122.820 -0.158 0.000 2.070 212 A HA 0.047 4.365 4.320 -0.003 0.000 0.220 212 A C 2.076 179.563 177.584 -0.162 0.000 1.159 212 A CA 1.456 53.433 52.037 -0.099 0.000 0.656 212 A CB -0.704 18.283 19.000 -0.022 0.000 0.800 212 A HN 0.374 nan 8.150 nan 0.000 0.453 213 V N -1.512 118.201 119.914 -0.335 0.000 2.332 213 V HA -0.267 3.852 4.120 -0.003 0.000 0.248 213 V C 2.001 177.725 176.094 -0.616 0.000 1.055 213 V CA 2.176 64.171 62.300 -0.509 0.000 1.038 213 V CB -0.822 30.560 31.823 -0.735 0.000 0.651 213 V HN 0.662 nan 8.190 nan 0.000 0.450 214 F N -1.664 118.207 119.950 -0.132 0.000 2.721 214 F HA 0.378 4.903 4.527 -0.003 0.000 0.301 214 F C 0.764 176.521 175.800 -0.071 0.000 1.096 214 F CA 0.121 58.063 58.000 -0.097 0.000 1.308 214 F CB 0.487 39.420 39.000 -0.112 0.000 1.086 214 F HN 0.061 nan 8.300 nan 0.000 0.587 215 L N 2.267 123.522 121.223 0.053 0.000 2.594 215 L HA 0.453 4.791 4.340 -0.003 0.000 0.245 215 L C -1.909 174.960 176.870 -0.001 0.000 1.460 215 L CA -1.764 53.093 54.840 0.027 0.000 0.865 215 L CB 0.392 42.468 42.059 0.027 0.000 1.131 215 L HN -0.292 nan 8.230 nan 0.000 0.506 216 P HA -0.177 nan 4.420 nan 0.000 0.222 216 P C 1.773 179.076 177.300 0.004 0.000 1.147 216 P CA 1.068 64.161 63.100 -0.012 0.000 0.790 216 P CB 0.287 31.974 31.700 -0.021 0.000 0.780 217 I N -0.442 120.132 120.570 0.006 0.000 2.399 217 I HA -0.231 3.937 4.170 -0.003 0.000 0.254 217 I C 2.037 178.163 176.117 0.014 0.000 1.146 217 I CA 1.135 62.441 61.300 0.010 0.000 1.412 217 I CB -0.282 37.724 38.000 0.009 0.000 1.076 217 I HN -0.111 nan 8.210 nan 0.000 0.432 218 L N 0.316 121.547 121.223 0.014 0.000 2.079 218 L HA -0.252 4.087 4.340 -0.003 0.000 0.210 218 L C 2.365 179.251 176.870 0.027 0.000 1.081 218 L CA 1.283 56.134 54.840 0.018 0.000 0.752 218 L CB -0.424 41.645 42.059 0.016 0.000 0.896 218 L HN 0.324 nan 8.230 nan 0.000 0.433 219 L N -0.791 120.450 121.223 0.030 0.000 2.478 219 L HA -0.117 4.221 4.340 -0.003 0.000 0.223 219 L C 1.996 178.890 176.870 0.040 0.000 1.140 219 L CA 0.776 55.640 54.840 0.040 0.000 0.842 219 L CB -0.267 41.819 42.059 0.045 0.000 0.953 219 L HN 0.223 nan 8.230 nan 0.000 0.452 220 K N -0.052 120.366 120.400 0.031 0.000 2.367 220 K HA 0.244 4.563 4.320 -0.003 0.000 0.194 220 K C 0.315 176.931 176.600 0.028 0.000 1.027 220 K CA 0.011 56.315 56.287 0.029 0.000 1.075 220 K CB 0.487 32.999 32.500 0.021 0.000 0.845 220 K HN 0.214 nan 8.250 nan 0.000 0.529 221 L N 2.986 124.225 121.223 0.028 0.000 2.379 221 L HA 0.252 4.590 4.340 -0.003 0.000 0.269 221 L C -1.983 174.907 176.870 0.034 0.000 1.084 221 L CA -2.124 52.732 54.840 0.026 0.000 0.802 221 L CB 0.285 42.357 42.059 0.022 0.000 1.175 221 L HN -0.122 nan 8.230 nan 0.000 0.448 222 P HA 0.224 nan 4.420 nan 0.000 0.260 222 P C -0.898 176.423 177.300 0.036 0.000 1.651 222 P CA 0.010 63.132 63.100 0.037 0.000 1.139 222 P CB 0.094 31.811 31.700 0.029 0.000 1.756 223 L N 5.512 126.759 121.223 0.040 0.000 2.343 223 L HA 0.339 4.677 4.340 -0.003 0.000 0.275 223 L C -0.701 176.191 176.870 0.037 0.000 1.056 223 L CA -2.297 52.563 54.840 0.033 0.000 0.804 223 L CB 1.376 43.453 42.059 0.030 0.000 1.203 223 L HN 0.046 nan 8.230 nan 0.000 0.440 224 P HA -0.160 nan 4.420 nan 0.000 0.218 224 P C 0.948 178.267 177.300 0.031 0.000 1.149 224 P CA 1.048 64.168 63.100 0.033 0.000 0.817 224 P CB 0.345 32.062 31.700 0.028 0.000 0.785 225 Q N 0.284 120.099 119.800 0.025 0.000 2.061 225 Q HA -0.118 4.220 4.340 -0.003 0.000 0.204 225 Q C 2.463 178.459 176.000 -0.007 0.000 0.984 225 Q CA 2.188 58.002 55.803 0.017 0.000 0.846 225 Q CB -1.278 27.473 28.738 0.021 0.000 0.902 225 Q HN 0.260 nan 8.270 nan 0.000 0.421 226 S N 0.343 116.040 115.700 -0.006 0.000 2.383 226 S HA -0.114 4.354 4.470 -0.003 0.000 0.227 226 S C 1.990 176.593 174.600 0.005 0.000 1.026 226 S CA 0.902 59.072 58.200 -0.050 0.000 0.981 226 S CB -0.449 62.765 63.200 0.023 0.000 0.818 226 S HN 0.518 nan 8.310 nan 0.000 0.472 227 A N 1.985 124.857 122.820 0.086 0.000 1.898 227 A HA -0.069 4.249 4.320 -0.003 0.000 0.216 227 A C 2.175 179.810 177.584 0.086 0.000 1.181 227 A CA 1.315 53.427 52.037 0.125 0.000 0.620 227 A CB -0.437 18.615 19.000 0.087 0.000 0.819 227 A HN 0.230 nan 8.150 nan 0.000 0.442 228 R N -0.620 119.907 120.500 0.045 0.000 2.091 228 R HA -0.123 4.215 4.340 -0.003 0.000 0.238 228 R C 2.259 178.575 176.300 0.026 0.000 1.136 228 R CA 1.278 57.400 56.100 0.038 0.000 0.959 228 R CB -1.839 28.480 30.300 0.032 0.000 0.856 228 R HN 0.660 nan 8.270 nan 0.000 0.437 229 C N 0.104 119.388 119.300 -0.026 0.000 2.442 229 C HA -0.122 4.337 4.460 -0.003 0.000 0.279 229 C C 2.487 177.448 174.990 -0.049 0.000 1.237 229 C CA 0.742 59.715 59.018 -0.076 0.000 1.722 229 C CB -0.966 26.655 27.740 -0.198 0.000 2.056 229 C HN 0.512 nan 8.230 nan 0.000 0.469 230 H N 0.460 119.545 119.070 0.025 0.000 2.390 230 H HA -0.146 4.409 4.556 -0.002 0.000 0.298 230 H C 2.219 177.567 175.328 0.034 0.000 1.106 230 H CA 2.065 58.130 56.048 0.029 0.000 1.297 230 H CB -0.731 29.046 29.762 0.025 0.000 1.375 230 H HN 0.752 nan 8.280 nan 0.000 0.509 231 E N 0.871 121.157 120.200 0.144 0.000 2.047 231 E HA -0.120 4.229 4.350 -0.003 0.000 0.191 231 E C 2.410 179.054 176.600 0.074 0.000 0.987 231 E CA 1.002 57.457 56.400 0.092 0.000 0.799 231 E CB -0.065 29.677 29.700 0.071 0.000 0.752 231 E HN 0.316 nan 8.360 nan 0.000 0.449 232 A N 1.647 124.508 122.820 0.070 0.000 1.933 232 A HA -0.183 4.136 4.320 -0.003 0.000 0.218 232 A C 2.318 179.949 177.584 0.077 0.000 1.175 232 A CA 1.554 53.633 52.037 0.070 0.000 0.628 232 A CB -0.628 18.420 19.000 0.080 0.000 0.814 232 A HN 0.267 nan 8.150 nan 0.000 0.444 233 R N -0.907 119.645 120.500 0.086 0.000 2.075 233 R HA -0.103 4.235 4.340 -0.003 0.000 0.232 233 R C 2.177 178.527 176.300 0.084 0.000 1.126 233 R CA 1.864 58.020 56.100 0.092 0.000 0.963 233 R CB -0.531 29.830 30.300 0.102 0.000 0.858 233 R HN 0.518 nan 8.270 nan 0.000 0.435 234 T N 0.651 115.258 114.554 0.088 0.000 2.684 234 T HA -0.220 4.129 4.350 -0.003 0.000 0.267 234 T C 1.581 176.304 174.700 0.037 0.000 1.036 234 T CA 1.871 64.010 62.100 0.066 0.000 1.148 234 T CB -0.231 68.674 68.868 0.062 0.000 0.863 234 T HN 0.471 nan 8.240 nan 0.000 0.436 235 E N 0.562 120.781 120.200 0.033 0.000 2.077 235 E HA -0.150 4.199 4.350 -0.003 0.000 0.193 235 E C 2.145 178.735 176.600 -0.016 0.000 0.989 235 E CA 0.902 57.308 56.400 0.009 0.000 0.800 235 E CB -0.321 29.386 29.700 0.012 0.000 0.746 235 E HN 0.304 nan 8.360 nan 0.000 0.452 236 L N 1.322 122.540 121.223 -0.009 0.000 2.012 236 L HA -0.222 4.116 4.340 -0.003 0.000 0.210 236 L C 2.484 179.315 176.870 -0.065 0.000 1.073 236 L CA 2.354 57.161 54.840 -0.056 0.000 0.748 236 L CB -0.866 41.192 42.059 -0.002 0.000 0.891 236 L HN 0.301 nan 8.230 nan 0.000 0.431 237 Q N -0.557 119.235 119.800 -0.014 0.000 2.170 237 Q HA -0.269 4.070 4.340 -0.003 0.000 0.203 237 Q C 2.330 178.316 176.000 -0.024 0.000 0.976 237 Q CA 1.896 57.695 55.803 -0.008 0.000 0.858 237 Q CB -0.189 28.572 28.738 0.038 0.000 0.907 237 Q HN 0.587 nan 8.270 nan 0.000 0.433 238 K N 0.382 120.769 120.400 -0.021 0.000 2.009 238 K HA -0.201 4.117 4.320 -0.003 0.000 0.210 238 K C 1.936 178.504 176.600 -0.054 0.000 1.049 238 K CA 1.780 58.050 56.287 -0.029 0.000 0.929 238 K CB -0.256 32.232 32.500 -0.021 0.000 0.714 238 K HN 0.281 nan 8.250 nan 0.000 0.440 239 I N 1.494 122.015 120.570 -0.082 0.000 2.208 239 I HA -0.312 3.857 4.170 -0.003 0.000 0.245 239 I C 2.324 178.362 176.117 -0.131 0.000 1.097 239 I CA 1.094 62.324 61.300 -0.116 0.000 1.363 239 I CB -0.204 37.698 38.000 -0.164 0.000 1.051 239 I HN 0.204 nan 8.210 nan 0.000 0.413 240 L N -0.448 120.690 121.223 -0.142 0.000 2.081 240 L HA -0.279 4.059 4.340 -0.003 0.000 0.212 240 L C 2.707 179.528 176.870 -0.081 0.000 1.080 240 L CA 1.412 56.173 54.840 -0.130 0.000 0.754 240 L CB -0.639 41.354 42.059 -0.111 0.000 0.893 240 L HN 0.258 nan 8.230 nan 0.000 0.433 241 S N -0.443 115.222 115.700 -0.058 0.000 2.348 241 S HA -0.205 4.264 4.470 -0.003 0.000 0.221 241 S C 1.800 176.375 174.600 -0.043 0.000 1.033 241 S CA 1.477 59.654 58.200 -0.040 0.000 1.010 241 S CB -0.081 63.103 63.200 -0.026 0.000 0.891 241 S HN 0.425 nan 8.310 nan 0.000 0.442 242 E N 0.493 120.664 120.200 -0.049 0.000 2.048 242 E HA -0.202 4.146 4.350 -0.003 0.000 0.202 242 E C 2.056 178.626 176.600 -0.049 0.000 1.021 242 E CA 1.789 58.161 56.400 -0.046 0.000 0.825 242 E CB -0.395 29.274 29.700 -0.051 0.000 0.756 242 E HN 0.536 nan 8.360 nan 0.000 0.454 243 I N 0.863 121.394 120.570 -0.066 0.000 2.208 243 I HA -0.305 3.863 4.170 -0.003 0.000 0.245 243 I C 2.436 178.525 176.117 -0.046 0.000 1.097 243 I CA 1.129 62.390 61.300 -0.065 0.000 1.363 243 I CB -0.246 37.694 38.000 -0.099 0.000 1.051 243 I HN 0.132 nan 8.210 nan 0.000 0.413 244 I N 0.464 121.007 120.570 -0.045 0.000 2.179 244 I HA -0.309 3.859 4.170 -0.003 0.000 0.242 244 I C 2.445 178.547 176.117 -0.024 0.000 1.088 244 I CA 1.606 62.887 61.300 -0.031 0.000 1.357 244 I CB -0.241 37.741 38.000 -0.030 0.000 1.051 244 I HN 0.151 nan 8.210 nan 0.000 0.409 245 I N 0.806 121.361 120.570 -0.025 0.000 2.099 245 I HA -0.338 3.830 4.170 -0.003 0.000 0.239 245 I C 2.816 178.922 176.117 -0.018 0.000 1.066 245 I CA 1.560 62.848 61.300 -0.020 0.000 1.324 245 I CB -0.612 37.376 38.000 -0.020 0.000 1.037 245 I HN 0.193 nan 8.210 nan 0.000 0.401 246 A N 0.410 123.217 122.820 -0.022 0.000 1.986 246 A HA -0.263 4.056 4.320 -0.003 0.000 0.220 246 A C 2.412 179.988 177.584 -0.014 0.000 1.171 246 A CA 1.853 53.879 52.037 -0.018 0.000 0.640 246 A CB -0.669 18.317 19.000 -0.023 0.000 0.811 246 A HN 0.361 nan 8.150 nan 0.000 0.451 247 R N -0.624 119.867 120.500 -0.015 0.000 2.075 247 R HA -0.025 4.313 4.340 -0.003 0.000 0.226 247 R C 2.100 178.395 176.300 -0.008 0.000 1.114 247 R CA 1.365 57.460 56.100 -0.009 0.000 0.972 247 R CB -0.158 30.137 30.300 -0.008 0.000 0.869 247 R HN 0.522 nan 8.270 nan 0.000 0.437 248 K N 0.288 120.682 120.400 -0.010 0.000 2.147 248 K HA -0.150 4.169 4.320 -0.003 0.000 0.205 248 K C 1.824 178.419 176.600 -0.008 0.000 1.049 248 K CA 1.260 57.541 56.287 -0.010 0.000 0.936 248 K CB 0.040 32.533 32.500 -0.011 0.000 0.722 248 K HN 0.292 nan 8.250 nan 0.000 0.446 249 E N 1.002 121.197 120.200 -0.009 0.000 2.072 249 E HA -0.163 4.186 4.350 -0.003 0.000 0.190 249 E C 1.818 178.415 176.600 -0.006 0.000 0.982 249 E CA 0.967 57.362 56.400 -0.007 0.000 0.803 249 E CB 0.083 29.778 29.700 -0.008 0.000 0.755 249 E HN 0.350 nan 8.360 nan 0.000 0.453 250 E N 0.763 120.960 120.200 -0.005 0.000 2.204 250 E HA -0.156 4.192 4.350 -0.003 0.000 0.194 250 E C 1.225 177.824 176.600 -0.002 0.000 0.989 250 E CA 0.703 57.101 56.400 -0.003 0.000 0.824 250 E CB 0.050 29.750 29.700 -0.001 0.000 0.756 250 E HN 0.228 nan 8.360 nan 0.000 0.477 251 E N -0.115 120.083 120.200 -0.003 0.000 2.445 251 E HA 0.009 4.358 4.350 -0.003 0.000 0.189 251 E C 0.991 177.589 176.600 -0.004 0.000 1.069 251 E CA -0.197 56.201 56.400 -0.003 0.000 0.871 251 E CB 0.719 30.417 29.700 -0.003 0.000 0.991 251 E HN 0.015 nan 8.360 nan 0.000 0.481 252 V N -0.014 119.897 119.914 -0.004 0.000 2.870 252 V HA -0.084 4.034 4.120 -0.003 0.000 0.232 252 V C 1.838 177.930 176.094 -0.003 0.000 1.161 252 V CA 0.903 63.200 62.300 -0.004 0.000 1.204 252 V CB -0.225 31.595 31.823 -0.005 0.000 1.003 252 V HN 0.212 nan 8.190 nan 0.000 0.499 253 N N 0.738 119.436 118.700 -0.003 0.000 2.027 253 N HA -0.177 4.561 4.740 -0.003 0.000 0.200 253 N C 0.710 176.219 175.510 -0.002 0.000 1.042 253 N CA 1.532 54.580 53.050 -0.002 0.000 0.871 253 N CB -0.036 38.450 38.487 -0.002 0.000 1.063 253 N HN 0.201 nan 8.380 nan 0.000 0.438 254 K N 0.433 120.832 120.400 -0.001 0.000 2.095 254 K HA 0.151 4.470 4.320 -0.003 0.000 0.252 254 K C -0.236 176.363 176.600 -0.001 0.000 0.977 254 K CA -0.255 56.032 56.287 -0.001 0.000 0.900 254 K CB 0.866 33.366 32.500 0.000 0.000 1.060 254 K HN 0.211 nan 8.250 nan 0.000 0.449 255 D N -0.111 120.288 120.400 -0.001 0.000 2.349 255 D HA -0.022 4.617 4.640 -0.003 0.000 0.214 255 D C 0.362 176.661 176.300 -0.001 0.000 1.063 255 D CA 0.266 54.265 54.000 -0.002 0.000 0.847 255 D CB 0.715 41.513 40.800 -0.002 0.000 0.933 255 D HN 0.297 nan 8.370 nan 0.000 0.513 256 S N 0.305 116.005 115.700 0.000 0.000 2.614 256 S HA 0.301 4.769 4.470 -0.003 0.000 0.265 256 S C 0.147 174.748 174.600 0.002 0.000 1.303 256 S CA -0.411 57.790 58.200 0.001 0.000 1.000 256 S CB 0.868 64.070 63.200 0.003 0.000 0.935 256 S HN 0.192 nan 8.310 nan 0.000 0.551 257 S N 1.636 117.338 115.700 0.004 0.000 2.570 257 S HA 0.586 5.055 4.470 -0.003 0.000 0.286 257 S C -0.719 173.889 174.600 0.012 0.000 1.099 257 S CA -0.835 57.368 58.200 0.006 0.000 0.913 257 S CB 1.350 64.551 63.200 0.002 0.000 1.085 257 S HN 0.595 nan 8.310 nan 0.000 0.480 258 T N 2.326 116.891 114.554 0.017 0.000 2.869 258 T HA 0.488 4.836 4.350 -0.003 0.000 0.295 258 T C -0.109 174.610 174.700 0.033 0.000 0.987 258 T CA -0.162 61.956 62.100 0.030 0.000 1.109 258 T CB 1.074 69.965 68.868 0.038 0.000 0.932 258 T HN 0.623 nan 8.240 nan 0.000 0.518 259 S N 2.911 118.635 115.700 0.040 0.000 2.530 259 S HA 0.560 5.028 4.470 -0.003 0.000 0.322 259 S C -0.928 173.713 174.600 0.069 0.000 1.085 259 S CA -0.818 57.407 58.200 0.042 0.000 1.096 259 S CB 0.179 63.396 63.200 0.028 0.000 0.988 259 S HN 0.886 nan 8.310 nan 0.000 0.466 260 D N 2.875 123.322 120.400 0.078 0.000 2.838 260 D HA 0.119 4.758 4.640 -0.003 0.000 0.334 260 D C 0.716 177.074 176.300 0.097 0.000 1.315 260 D CA -0.797 53.267 54.000 0.106 0.000 0.917 260 D CB -0.157 40.731 40.800 0.147 0.000 1.435 260 D HN 0.360 nan 8.370 nan 0.000 0.517 261 L N -0.007 121.271 121.223 0.091 0.000 2.046 261 L HA 0.023 4.361 4.340 -0.003 0.000 0.208 261 L C 2.063 179.012 176.870 0.131 0.000 1.077 261 L CA 1.590 56.477 54.840 0.078 0.000 0.747 261 L CB -0.957 41.103 42.059 0.001 0.000 0.896 261 L HN 0.548 nan 8.230 nan 0.000 0.432 262 L N -0.630 120.722 121.223 0.216 0.000 1.994 262 L HA -0.169 4.170 4.340 -0.003 0.000 0.208 262 L C 2.791 179.698 176.870 0.061 0.000 1.071 262 L CA 2.243 57.168 54.840 0.142 0.000 0.745 262 L CB -1.112 41.025 42.059 0.130 0.000 0.892 262 L HN 0.598 nan 8.230 nan 0.000 0.431 263 S N -0.719 115.018 115.700 0.061 0.000 2.356 263 S HA -0.116 4.352 4.470 -0.003 0.000 0.223 263 S C 2.154 176.754 174.600 -0.002 0.000 1.032 263 S CA 1.091 59.304 58.200 0.023 0.000 1.005 263 S CB -1.635 61.583 63.200 0.029 0.000 0.867 263 S HN 0.522 nan 8.310 nan 0.000 0.449 264 G N 1.670 110.477 108.800 0.012 0.000 2.418 264 G HA2 -0.035 3.924 3.960 -0.003 0.000 0.217 264 G HA3 -0.035 3.924 3.960 -0.003 0.000 0.217 264 G C 1.531 176.400 174.900 -0.052 0.000 1.158 264 G CA 0.952 46.046 45.100 -0.009 0.000 0.771 264 G HN 0.520 nan 8.290 nan 0.000 0.545 265 L N -0.188 121.010 121.223 -0.042 0.000 2.093 265 L HA 0.035 4.374 4.340 -0.003 0.000 0.208 265 L C 2.848 179.617 176.870 -0.168 0.000 1.085 265 L CA 0.389 55.166 54.840 -0.105 0.000 0.755 265 L CB -0.378 41.656 42.059 -0.041 0.000 0.904 265 L HN 0.163 nan 8.230 nan 0.000 0.435 266 L N -0.275 120.888 121.223 -0.100 0.000 2.127 266 L HA -0.206 4.133 4.340 -0.003 0.000 0.211 266 L C 2.541 179.325 176.870 -0.143 0.000 1.089 266 L CA 1.561 56.339 54.840 -0.103 0.000 0.757 266 L CB -0.509 41.516 42.059 -0.055 0.000 0.899 266 L HN 0.371 nan 8.230 nan 0.000 0.434 267 S N -0.918 114.694 115.700 -0.147 0.000 2.603 267 S HA 0.276 4.744 4.470 -0.003 0.000 0.220 267 S C 0.902 175.347 174.600 -0.257 0.000 0.967 267 S CA -0.079 58.028 58.200 -0.154 0.000 0.920 267 S CB -0.303 62.840 63.200 -0.095 0.000 0.773 267 S HN 0.221 nan 8.310 nan 0.000 0.529 268 A N 1.443 123.993 122.820 -0.450 0.000 2.401 268 A HA 0.619 4.937 4.320 -0.003 0.000 0.259 268 A C -0.175 176.962 177.584 -0.745 0.000 1.103 268 A CA -0.419 51.101 52.037 -0.861 0.000 0.789 268 A CB 0.434 18.375 19.000 -1.765 0.000 1.035 268 A HN 0.387 nan 8.150 nan 0.000 0.491 269 V N 3.074 122.657 119.914 -0.553 0.000 2.588 269 V HA 0.326 4.445 4.120 -0.003 0.000 0.304 269 V C -0.671 175.362 176.094 -0.102 0.000 1.042 269 V CA -0.555 61.562 62.300 -0.304 0.000 0.877 269 V CB 1.090 32.860 31.823 -0.089 0.000 0.996 269 V HN 0.844 nan 8.190 nan 0.000 0.425 270 Y N 2.385 122.753 120.300 0.113 0.000 2.258 270 Y HA 0.264 4.812 4.550 -0.003 0.000 0.345 270 Y C 1.803 177.784 175.900 0.135 0.000 1.303 270 Y CA -0.223 58.008 58.100 0.219 0.000 1.537 270 Y CB 0.409 38.960 38.460 0.151 0.000 1.383 270 Y HN 0.466 nan 8.280 nan 0.000 0.606 271 R N 0.063 120.738 120.500 0.291 0.000 2.159 271 R HA -0.185 4.154 4.340 -0.003 0.000 0.237 271 R C 1.270 177.646 176.300 0.126 0.000 1.131 271 R CA 1.637 57.830 56.100 0.155 0.000 0.982 271 R CB -0.315 30.049 30.300 0.107 0.000 0.868 271 R HN 0.699 nan 8.270 nan 0.000 0.453 272 D N -0.600 119.890 120.400 0.150 0.000 2.203 272 D HA -0.128 4.510 4.640 -0.003 0.000 0.199 272 D C 1.315 177.674 176.300 0.097 0.000 0.997 272 D CA 1.829 55.893 54.000 0.107 0.000 0.863 272 D CB -0.253 40.616 40.800 0.116 0.000 0.928 272 D HN 0.464 nan 8.370 nan 0.000 0.458 273 G N -0.635 108.235 108.800 0.117 0.000 2.148 273 G HA2 -0.278 3.681 3.960 -0.003 0.000 0.254 273 G HA3 -0.278 3.681 3.960 -0.003 0.000 0.254 273 G C 0.416 175.367 174.900 0.086 0.000 0.981 273 G CA 0.874 46.023 45.100 0.081 0.000 0.670 273 G HN 0.506 nan 8.290 nan 0.000 0.528 274 T N -0.102 114.541 114.554 0.149 0.000 2.907 274 T HA 0.678 5.026 4.350 -0.003 0.000 0.284 274 T C -2.425 172.379 174.700 0.174 0.000 1.004 274 T CA -1.688 60.505 62.100 0.157 0.000 1.063 274 T CB 2.937 71.909 68.868 0.174 0.000 0.992 274 T HN 0.168 nan 8.240 nan 0.000 0.483 275 P HA 0.247 nan 4.420 nan 0.000 0.290 275 P C -0.204 177.116 177.300 0.033 0.000 1.276 275 P CA -0.940 62.141 63.100 -0.032 0.000 0.808 275 P CB 0.693 32.370 31.700 -0.037 0.000 0.966 276 M N 3.043 122.536 119.600 -0.179 0.000 2.336 276 M HA 0.000 4.479 4.480 -0.003 0.000 0.371 276 M C 0.434 176.754 176.300 0.033 0.000 1.542 276 M CA 0.482 55.758 55.300 -0.040 0.000 0.959 276 M CB 0.010 32.435 32.600 -0.291 0.000 2.033 276 M HN 0.455 nan 8.290 nan 0.000 0.472 277 S N 5.075 120.846 115.700 0.118 0.000 2.589 277 S HA 0.080 4.549 4.470 -0.003 0.000 0.265 277 S C 1.104 175.749 174.600 0.074 0.000 1.342 277 S CA -0.895 57.359 58.200 0.090 0.000 1.005 277 S CB 0.913 64.186 63.200 0.123 0.000 0.909 277 S HN 0.941 nan 8.310 nan 0.000 0.555 278 L N 0.795 122.058 121.223 0.065 0.000 2.079 278 L HA -0.183 4.156 4.340 -0.003 0.000 0.210 278 L C 2.714 179.636 176.870 0.088 0.000 1.081 278 L CA 2.085 56.957 54.840 0.054 0.000 0.752 278 L CB -0.712 41.372 42.059 0.042 0.000 0.896 278 L HN 0.993 nan 8.230 nan 0.000 0.433 279 H N 0.250 119.335 119.070 0.025 0.000 2.319 279 H HA -0.228 4.327 4.556 -0.002 0.000 0.299 279 H C 1.871 177.230 175.328 0.051 0.000 1.092 279 H CA 2.247 58.317 56.048 0.037 0.000 1.302 279 H CB 0.258 30.041 29.762 0.034 0.000 1.373 279 H HN 0.509 nan 8.280 nan 0.000 0.497 280 E N -0.149 120.081 120.200 0.051 0.000 2.107 280 E HA -0.082 4.266 4.350 -0.003 0.000 0.191 280 E C 2.557 179.151 176.600 -0.010 0.000 0.982 280 E CA 0.866 57.269 56.400 0.006 0.000 0.809 280 E CB 0.233 30.010 29.700 0.129 0.000 0.756 280 E HN 0.212 nan 8.360 nan 0.000 0.459 281 V N 1.115 121.032 119.914 0.004 0.000 2.261 281 V HA -0.327 3.792 4.120 -0.003 0.000 0.246 281 V C 2.517 178.617 176.094 0.009 0.000 1.047 281 V CA 1.759 64.058 62.300 -0.000 0.000 1.015 281 V CB -0.465 31.355 31.823 -0.006 0.000 0.642 281 V HN 0.559 nan 8.190 nan 0.000 0.446 282 C N 1.063 120.363 119.300 -0.001 0.000 2.401 282 C HA -0.133 4.325 4.460 -0.003 0.000 0.276 282 C C 2.948 177.950 174.990 0.020 0.000 1.233 282 C CA 1.174 60.198 59.018 0.011 0.000 1.753 282 C CB -1.583 26.157 27.740 0.001 0.000 2.029 282 C HN 0.639 nan 8.230 nan 0.000 0.478 283 G N -0.002 108.767 108.800 -0.051 0.000 2.408 283 G HA2 -0.127 3.832 3.960 -0.003 0.000 0.217 283 G HA3 -0.127 3.832 3.960 -0.003 0.000 0.217 283 G C 1.531 176.420 174.900 -0.018 0.000 1.150 283 G CA 1.015 46.094 45.100 -0.035 0.000 0.776 283 G HN 0.456 nan 8.290 nan 0.000 0.542 284 M N 0.218 119.798 119.600 -0.034 0.000 2.319 284 M HA 0.214 4.692 4.480 -0.003 0.000 0.265 284 M C 2.508 178.823 176.300 0.024 0.000 1.068 284 M CA 0.460 55.730 55.300 -0.050 0.000 1.118 284 M CB -0.818 31.766 32.600 -0.026 0.000 1.395 284 M HN 0.223 nan 8.290 nan 0.000 0.435 285 I N -0.574 120.053 120.570 0.096 0.000 2.179 285 I HA -0.250 3.918 4.170 -0.003 0.000 0.242 285 I C 2.354 178.616 176.117 0.240 0.000 1.088 285 I CA 0.864 62.285 61.300 0.202 0.000 1.357 285 I CB -0.356 37.796 38.000 0.254 0.000 1.051 285 I HN -0.012 nan 8.210 nan 0.000 0.409 286 V N 1.033 121.089 119.914 0.237 0.000 2.332 286 V HA -0.334 3.784 4.120 -0.003 0.000 0.248 286 V C 2.680 178.978 176.094 0.341 0.000 1.055 286 V CA 2.108 64.601 62.300 0.322 0.000 1.038 286 V CB -0.986 31.006 31.823 0.282 0.000 0.651 286 V HN 0.516 nan 8.190 nan 0.000 0.450 287 A N -0.239 122.671 122.820 0.151 0.000 1.902 287 A HA -0.085 4.233 4.320 -0.003 0.000 0.217 287 A C 2.413 180.055 177.584 0.096 0.000 1.181 287 A CA 1.986 54.012 52.037 -0.018 0.000 0.623 287 A CB -0.720 17.932 19.000 -0.581 0.000 0.818 287 A HN 0.574 nan 8.150 nan 0.000 0.443 288 A N -0.872 121.995 122.820 0.079 0.000 1.902 288 A HA -0.096 4.223 4.320 -0.003 0.000 0.217 288 A C 2.184 179.834 177.584 0.110 0.000 1.181 288 A CA 1.902 53.988 52.037 0.081 0.000 0.623 288 A CB -0.447 18.578 19.000 0.043 0.000 0.818 288 A HN 0.427 nan 8.150 nan 0.000 0.443 289 M N -1.744 117.935 119.600 0.131 0.000 2.099 289 M HA -0.014 4.464 4.480 -0.003 0.000 0.262 289 M C 2.051 178.377 176.300 0.043 0.000 1.067 289 M CA 1.276 56.593 55.300 0.029 0.000 1.124 289 M CB -1.475 31.088 32.600 -0.063 0.000 1.353 289 M HN 0.426 nan 8.290 nan 0.000 0.410 290 F N 0.782 120.764 119.950 0.053 0.000 2.134 290 F HA -0.149 4.377 4.527 -0.002 0.000 0.299 290 F C 2.600 178.468 175.800 0.113 0.000 1.097 290 F CA 1.622 59.676 58.000 0.091 0.000 1.264 290 F CB -0.852 38.281 39.000 0.221 0.000 1.001 290 F HN 0.161 nan 8.300 nan 0.000 0.479 291 A N -0.115 122.901 122.820 0.325 0.000 1.858 291 A HA -0.068 4.250 4.320 -0.003 0.000 0.216 291 A C 2.526 180.220 177.584 0.184 0.000 1.190 291 A CA 1.843 54.036 52.037 0.261 0.000 0.617 291 A CB -1.601 17.530 19.000 0.218 0.000 0.827 291 A HN 0.394 nan 8.150 nan 0.000 0.443 292 G N -1.342 107.541 108.800 0.138 0.000 2.448 292 G HA2 -0.074 3.884 3.960 -0.003 0.000 0.218 292 G HA3 -0.074 3.884 3.960 -0.003 0.000 0.218 292 G C 1.584 176.501 174.900 0.028 0.000 1.135 292 G CA 1.226 46.395 45.100 0.117 0.000 0.784 292 G HN 0.551 nan 8.290 nan 0.000 0.543 293 Q N 0.239 119.994 119.800 -0.075 0.000 1.969 293 Q HA -0.082 4.256 4.340 -0.003 0.000 0.198 293 Q C 2.361 178.277 176.000 -0.140 0.000 0.978 293 Q CA 1.423 57.108 55.803 -0.196 0.000 0.830 293 Q CB -0.471 28.024 28.738 -0.405 0.000 0.896 293 Q HN 0.507 nan 8.270 nan 0.000 0.431 294 H N -0.266 118.782 119.070 -0.037 0.000 2.357 294 H HA -0.039 4.515 4.556 -0.002 0.000 0.301 294 H C 2.197 177.530 175.328 0.007 0.000 1.082 294 H CA 2.105 58.134 56.048 -0.032 0.000 1.342 294 H CB -0.879 28.868 29.762 -0.024 0.000 1.389 294 H HN 0.585 nan 8.280 nan 0.000 0.511 295 T N -1.033 113.620 114.554 0.164 0.000 2.684 295 T HA -0.141 4.208 4.350 -0.003 0.000 0.267 295 T C 2.346 177.117 174.700 0.117 0.000 1.036 295 T CA 1.786 63.974 62.100 0.146 0.000 1.148 295 T CB -0.556 68.411 68.868 0.164 0.000 0.863 295 T HN 0.158 nan 8.240 nan 0.000 0.436 296 S N 1.571 117.321 115.700 0.083 0.000 2.387 296 S HA -0.029 4.440 4.470 -0.003 0.000 0.226 296 S C 2.540 177.145 174.600 0.009 0.000 1.026 296 S CA 1.069 59.295 58.200 0.044 0.000 0.972 296 S CB -0.498 62.690 63.200 -0.021 0.000 0.814 296 S HN 0.618 nan 8.310 nan 0.000 0.477 297 S N 1.781 117.476 115.700 -0.009 0.000 2.368 297 S HA 0.018 4.486 4.470 -0.003 0.000 0.225 297 S C 1.798 176.374 174.600 -0.039 0.000 1.030 297 S CA 0.982 59.157 58.200 -0.043 0.000 0.999 297 S CB -0.382 62.796 63.200 -0.037 0.000 0.844 297 S HN 0.401 nan 8.310 nan 0.000 0.459 298 I N 1.410 121.978 120.570 -0.003 0.000 2.202 298 I HA -0.178 3.990 4.170 -0.003 0.000 0.242 298 I C 2.527 178.694 176.117 0.083 0.000 1.091 298 I CA 1.160 62.443 61.300 -0.030 0.000 1.368 298 I CB -0.809 37.212 38.000 0.035 0.000 1.058 298 I HN 0.267 nan 8.210 nan 0.000 0.410 299 T N 0.112 114.760 114.554 0.158 0.000 2.720 299 T HA -0.192 4.157 4.350 -0.003 0.000 0.268 299 T C 1.874 176.677 174.700 0.172 0.000 1.037 299 T CA 2.144 64.373 62.100 0.216 0.000 1.144 299 T CB -0.450 68.527 68.868 0.180 0.000 0.864 299 T HN 0.385 nan 8.240 nan 0.000 0.444 300 T N 1.792 116.395 114.554 0.081 0.000 2.746 300 T HA -0.112 4.236 4.350 -0.003 0.000 0.267 300 T C 2.307 177.015 174.700 0.012 0.000 1.039 300 T CA 1.667 63.794 62.100 0.044 0.000 1.142 300 T CB -0.723 68.132 68.868 -0.021 0.000 0.866 300 T HN 0.416 nan 8.240 nan 0.000 0.444 301 T N 0.524 115.044 114.554 -0.056 0.000 2.674 301 T HA -0.114 4.235 4.350 -0.003 0.000 0.265 301 T C 1.631 176.257 174.700 -0.124 0.000 1.039 301 T CA 1.223 63.230 62.100 -0.155 0.000 1.150 301 T CB -0.599 68.106 68.868 -0.270 0.000 0.864 301 T HN 0.530 nan 8.240 nan 0.000 0.427 302 W N 1.553 122.780 121.300 -0.122 0.000 2.317 302 W HA -0.197 4.462 4.660 -0.002 0.000 0.318 302 W C 3.054 179.452 176.519 -0.203 0.000 1.227 302 W CA 0.861 58.086 57.345 -0.200 0.000 1.269 302 W CB -0.491 28.938 29.460 -0.052 0.000 1.155 302 W HN 0.169 nan 8.180 nan 0.000 0.484 303 S N 0.187 116.027 115.700 0.233 0.000 2.370 303 S HA -0.257 4.211 4.470 -0.003 0.000 0.226 303 S C 1.673 176.329 174.600 0.094 0.000 1.033 303 S CA 1.745 60.056 58.200 0.185 0.000 1.011 303 S CB -0.569 62.770 63.200 0.231 0.000 0.852 303 S HN 0.252 nan 8.310 nan 0.000 0.457 304 M N 0.589 120.243 119.600 0.089 0.000 2.175 304 M HA -0.021 4.457 4.480 -0.003 0.000 0.264 304 M C 1.955 178.267 176.300 0.020 0.000 1.063 304 M CA 1.162 56.531 55.300 0.115 0.000 1.119 304 M CB -0.550 31.967 32.600 -0.137 0.000 1.377 304 M HN 0.249 nan 8.290 nan 0.000 0.415 305 L N -0.859 120.293 121.223 -0.118 0.000 2.017 305 L HA -0.263 4.076 4.340 -0.003 0.000 0.208 305 L C 2.695 179.448 176.870 -0.196 0.000 1.073 305 L CA 1.176 55.916 54.840 -0.167 0.000 0.745 305 L CB -1.086 40.835 42.059 -0.229 0.000 0.894 305 L HN 0.371 nan 8.230 nan 0.000 0.432 306 H N -0.092 118.803 119.070 -0.293 0.000 2.321 306 H HA -0.122 4.433 4.556 -0.002 0.000 0.300 306 H C 2.416 177.540 175.328 -0.340 0.000 1.087 306 H CA 1.478 57.163 56.048 -0.606 0.000 1.319 306 H CB -0.432 28.238 29.762 -1.820 0.000 1.379 306 H HN 0.285 nan 8.280 nan 0.000 0.501 307 L N 0.909 122.053 121.223 -0.132 0.000 2.127 307 L HA -0.195 4.144 4.340 -0.003 0.000 0.211 307 L C 2.732 179.667 176.870 0.109 0.000 1.089 307 L CA 1.342 56.184 54.840 0.003 0.000 0.757 307 L CB -0.356 41.611 42.059 -0.153 0.000 0.899 307 L HN 0.318 nan 8.230 nan 0.000 0.434 308 M N -2.190 117.541 119.600 0.219 0.000 2.514 308 M HA 0.019 4.497 4.480 -0.003 0.000 0.258 308 M C 0.884 177.297 176.300 0.189 0.000 1.119 308 M CA 0.504 55.970 55.300 0.277 0.000 1.111 308 M CB -0.543 32.249 32.600 0.320 0.000 1.390 308 M HN 0.047 nan 8.290 nan 0.000 0.475 309 H N 3.433 122.553 119.070 0.084 0.000 2.803 309 H HA 0.160 4.715 4.556 -0.002 0.000 0.330 309 H C -1.654 173.730 175.328 0.094 0.000 1.057 309 H CA -0.726 55.367 56.048 0.076 0.000 1.458 309 H CB 0.898 30.699 29.762 0.065 0.000 1.470 309 H HN 0.009 nan 8.280 nan 0.000 0.560 310 P HA -0.230 nan 4.420 nan 0.000 0.216 310 P C 1.039 178.430 177.300 0.151 0.000 1.150 310 P CA 1.768 64.862 63.100 -0.011 0.000 0.837 310 P CB -0.050 31.587 31.700 -0.106 0.000 0.786 311 A N 0.224 123.269 122.820 0.376 0.000 2.084 311 A HA -0.171 4.148 4.320 -0.003 0.000 0.221 311 A C 1.771 179.512 177.584 0.261 0.000 1.161 311 A CA 1.519 53.751 52.037 0.325 0.000 0.653 311 A CB -1.071 18.140 19.000 0.351 0.000 0.802 311 A HN 0.196 nan 8.150 nan 0.000 0.457 312 N N 0.093 118.985 118.700 0.320 0.000 2.279 312 N HA 0.081 4.820 4.740 -0.003 0.000 0.226 312 N C 1.437 177.075 175.510 0.213 0.000 1.126 312 N CA 0.771 54.028 53.050 0.344 0.000 0.846 312 N CB 0.499 39.294 38.487 0.514 0.000 1.050 312 N HN 0.452 nan 8.380 nan 0.000 0.502 313 V N -1.018 118.968 119.914 0.121 0.000 2.380 313 V HA -0.206 3.913 4.120 -0.003 0.000 0.251 313 V C 2.053 178.155 176.094 0.012 0.000 1.063 313 V CA 1.282 63.622 62.300 0.066 0.000 1.055 313 V CB -0.359 31.488 31.823 0.041 0.000 0.657 313 V HN 0.009 nan 8.190 nan 0.000 0.455 314 K N -0.151 120.207 120.400 -0.071 0.000 2.147 314 K HA -0.123 4.196 4.320 -0.003 0.000 0.205 314 K C 2.140 178.660 176.600 -0.134 0.000 1.049 314 K CA 1.879 58.073 56.287 -0.156 0.000 0.936 314 K CB -0.761 31.585 32.500 -0.256 0.000 0.722 314 K HN 0.687 nan 8.250 nan 0.000 0.446 315 H N 0.223 119.377 119.070 0.139 0.000 2.395 315 H HA -0.029 4.525 4.556 -0.003 0.000 0.299 315 H C 2.046 177.498 175.328 0.208 0.000 1.070 315 H CA 0.650 56.859 56.048 0.269 0.000 1.356 315 H CB -0.373 29.691 29.762 0.504 0.000 1.401 315 H HN 0.011 nan 8.280 nan 0.000 0.524 316 L N 2.044 123.398 121.223 0.218 0.000 2.042 316 L HA -0.184 4.154 4.340 -0.003 0.000 0.210 316 L C 2.394 179.265 176.870 0.001 0.000 1.076 316 L CA 1.977 56.840 54.840 0.038 0.000 0.749 316 L CB -0.592 41.461 42.059 -0.010 0.000 0.893 316 L HN 0.419 nan 8.230 nan 0.000 0.432 317 E N -0.898 119.295 120.200 -0.013 0.000 2.152 317 E HA -0.138 4.210 4.350 -0.003 0.000 0.192 317 E C 2.000 178.532 176.600 -0.113 0.000 0.983 317 E CA 0.969 57.339 56.400 -0.050 0.000 0.818 317 E CB -0.547 29.124 29.700 -0.049 0.000 0.758 317 E HN 0.472 nan 8.360 nan 0.000 0.467 318 A N 1.835 124.531 122.820 -0.207 0.000 1.883 318 A HA -0.152 4.166 4.320 -0.003 0.000 0.217 318 A C 2.262 179.639 177.584 -0.345 0.000 1.186 318 A CA 1.489 53.254 52.037 -0.454 0.000 0.624 318 A CB -0.692 17.682 19.000 -1.044 0.000 0.822 318 A HN 0.338 nan 8.150 nan 0.000 0.444 319 L N -0.239 120.932 121.223 -0.087 0.000 2.046 319 L HA -0.121 4.218 4.340 -0.003 0.000 0.208 319 L C 2.443 179.350 176.870 0.063 0.000 1.077 319 L CA 1.926 56.868 54.840 0.171 0.000 0.747 319 L CB -0.525 41.685 42.059 0.250 0.000 0.896 319 L HN 0.326 nan 8.230 nan 0.000 0.432 320 R N -0.315 120.194 120.500 0.015 0.000 2.081 320 R HA -0.211 4.128 4.340 -0.003 0.000 0.235 320 R C 2.390 178.663 176.300 -0.045 0.000 1.131 320 R CA 1.756 57.864 56.100 0.014 0.000 0.960 320 R CB -0.395 29.918 30.300 0.023 0.000 0.856 320 R HN 0.368 nan 8.270 nan 0.000 0.436 321 K N 1.121 121.472 120.400 -0.082 0.000 2.063 321 K HA -0.227 4.092 4.320 -0.003 0.000 0.208 321 K C 2.059 178.572 176.600 -0.146 0.000 1.048 321 K CA 1.770 57.991 56.287 -0.110 0.000 0.928 321 K CB 0.019 32.445 32.500 -0.123 0.000 0.713 321 K HN 0.171 nan 8.250 nan 0.000 0.442 322 E N 0.812 120.933 120.200 -0.132 0.000 2.047 322 E HA -0.183 4.166 4.350 -0.003 0.000 0.191 322 E C 1.941 178.296 176.600 -0.409 0.000 0.987 322 E CA 1.586 57.890 56.400 -0.160 0.000 0.799 322 E CB -0.186 29.524 29.700 0.016 0.000 0.752 322 E HN 0.578 nan 8.360 nan 0.000 0.449 323 I N -0.893 119.531 120.570 -0.243 0.000 3.030 323 I HA -0.006 4.163 4.170 -0.003 0.000 0.270 323 I C 2.035 177.960 176.117 -0.320 0.000 1.211 323 I CA 0.904 62.026 61.300 -0.298 0.000 1.479 323 I CB -0.531 37.555 38.000 0.143 0.000 1.105 323 I HN 0.081 nan 8.210 nan 0.000 0.447 324 E N 1.559 121.633 120.200 -0.210 0.000 2.333 324 E HA -0.182 4.167 4.350 -0.003 0.000 0.198 324 E C 1.172 177.676 176.600 -0.160 0.000 1.007 324 E CA 0.824 57.151 56.400 -0.122 0.000 0.845 324 E CB -0.251 29.404 29.700 -0.075 0.000 0.766 324 E HN 0.534 nan 8.360 nan 0.000 0.507 325 E N 0.327 120.327 120.200 -0.334 0.000 2.489 325 E HA 0.107 4.456 4.350 -0.003 0.000 0.193 325 E C -0.194 176.346 176.600 -0.100 0.000 1.057 325 E CA 0.117 56.374 56.400 -0.239 0.000 0.866 325 E CB -0.015 29.530 29.700 -0.258 0.000 0.916 325 E HN 0.343 nan 8.360 nan 0.000 0.500 326 F N 2.049 122.029 119.950 0.051 0.000 2.378 326 F HA 0.285 4.810 4.527 -0.003 0.000 0.325 326 F C -1.286 174.544 175.800 0.050 0.000 1.097 326 F CA -2.391 55.641 58.000 0.053 0.000 1.079 326 F CB 0.507 39.544 39.000 0.062 0.000 1.240 326 F HN -0.127 nan 8.300 nan 0.000 0.519 327 P HA 0.151 nan 4.420 nan 0.000 0.289 327 P C 0.010 177.399 177.300 0.150 0.000 1.299 327 P CA -0.249 62.946 63.100 0.157 0.000 0.766 327 P CB 0.538 32.309 31.700 0.118 0.000 1.226 328 A N -0.837 122.047 122.820 0.106 0.000 1.930 328 A HA -0.125 4.193 4.320 -0.003 0.000 0.217 328 A C 1.393 179.034 177.584 0.094 0.000 1.175 328 A CA 1.415 53.510 52.037 0.096 0.000 0.627 328 A CB -0.861 18.183 19.000 0.073 0.000 0.815 328 A HN 0.539 nan 8.150 nan 0.000 0.443 329 Q N 0.318 120.168 119.800 0.083 0.000 2.465 329 Q HA 0.563 4.902 4.340 -0.003 0.000 0.237 329 Q C -0.813 175.221 176.000 0.057 0.000 1.051 329 Q CA -0.058 55.787 55.803 0.069 0.000 0.874 329 Q CB 0.538 29.312 28.738 0.060 0.000 1.207 329 Q HN 0.534 nan 8.270 nan 0.000 0.508 330 L N 2.662 123.912 121.223 0.046 0.000 2.483 330 L HA 0.177 4.515 4.340 -0.003 0.000 0.275 330 L C 0.516 177.382 176.870 -0.007 0.000 1.220 330 L CA -0.112 54.719 54.840 -0.014 0.000 0.833 330 L CB 0.176 42.215 42.059 -0.033 0.000 1.102 330 L HN 0.703 nan 8.230 nan 0.000 0.490 331 N N -0.215 118.459 118.700 -0.043 0.000 2.577 331 N HA 0.109 4.848 4.740 -0.003 0.000 0.285 331 N C 0.455 175.983 175.510 0.029 0.000 1.309 331 N CA -0.846 52.219 53.050 0.024 0.000 0.798 331 N CB 0.252 38.769 38.487 0.050 0.000 1.463 331 N HN 0.526 nan 8.380 nan 0.000 0.518 332 Y N 0.457 120.755 120.300 -0.003 0.000 2.132 332 Y HA -0.321 4.227 4.550 -0.002 0.000 0.280 332 Y C 1.212 177.107 175.900 -0.008 0.000 1.193 332 Y CA 2.350 60.466 58.100 0.026 0.000 1.157 332 Y CB -0.331 38.157 38.460 0.045 0.000 0.966 332 Y HN 0.540 nan 8.280 nan 0.000 0.511 333 N N 0.392 119.125 118.700 0.055 0.000 2.171 333 N HA -0.177 4.561 4.740 -0.003 0.000 0.184 333 N C 1.367 176.774 175.510 -0.170 0.000 1.021 333 N CA 1.336 54.363 53.050 -0.038 0.000 0.854 333 N CB -0.732 37.793 38.487 0.063 0.000 0.994 333 N HN 0.490 nan 8.380 nan 0.000 0.426 334 N N 1.113 119.659 118.700 -0.255 0.000 2.036 334 N HA -0.111 4.628 4.740 -0.003 0.000 0.195 334 N C 1.882 177.109 175.510 -0.472 0.000 1.037 334 N CA 0.990 53.689 53.050 -0.584 0.000 0.855 334 N CB -0.558 37.346 38.487 -0.971 0.000 1.033 334 N HN 0.080 nan 8.380 nan 0.000 0.423 335 V N 1.007 120.723 119.914 -0.330 0.000 2.535 335 V HA -0.011 4.107 4.120 -0.003 0.000 0.246 335 V C 2.266 178.256 176.094 -0.173 0.000 1.045 335 V CA 0.979 63.156 62.300 -0.205 0.000 1.058 335 V CB -0.194 31.547 31.823 -0.137 0.000 0.689 335 V HN 0.225 nan 8.190 nan 0.000 0.461 336 M N -0.409 119.014 119.600 -0.297 0.000 2.287 336 M HA 0.027 4.505 4.480 -0.003 0.000 0.266 336 M C 1.400 177.588 176.300 -0.186 0.000 1.079 336 M CA 1.369 56.486 55.300 -0.305 0.000 1.146 336 M CB -0.639 31.542 32.600 -0.698 0.000 1.374 336 M HN 0.355 nan 8.290 nan 0.000 0.435 337 D N -0.591 119.712 120.400 -0.163 0.000 2.423 337 D HA 0.058 4.697 4.640 -0.003 0.000 0.212 337 D C 0.675 176.979 176.300 0.006 0.000 1.060 337 D CA 0.445 54.409 54.000 -0.060 0.000 0.872 337 D CB 0.327 41.106 40.800 -0.034 0.000 1.012 337 D HN 0.400 nan 8.370 nan 0.000 0.503 338 E N -0.167 120.046 120.200 0.021 0.000 2.624 338 E HA 0.285 4.634 4.350 -0.003 0.000 0.210 338 E C 0.303 177.075 176.600 0.287 0.000 0.997 338 E CA -0.031 56.465 56.400 0.161 0.000 0.999 338 E CB 0.780 30.628 29.700 0.246 0.000 1.040 338 E HN 0.015 nan 8.360 nan 0.000 0.469 339 M N 1.426 121.129 119.600 0.173 0.000 3.101 339 M HA 0.180 4.659 4.480 -0.003 0.000 0.307 339 M C -2.003 174.380 176.300 0.138 0.000 1.315 339 M CA -1.401 54.027 55.300 0.214 0.000 0.734 339 M CB 1.001 33.716 32.600 0.192 0.000 1.392 339 M HN -0.090 nan 8.290 nan 0.000 0.496 340 P HA -0.164 nan 4.420 nan 0.000 0.218 340 P C 1.261 178.617 177.300 0.092 0.000 1.149 340 P CA 1.327 64.476 63.100 0.082 0.000 0.817 340 P CB 0.074 31.823 31.700 0.082 0.000 0.785 341 F N 1.524 121.491 119.950 0.029 0.000 2.128 341 F HA 0.056 4.582 4.527 -0.003 0.000 0.295 341 F C 2.485 178.305 175.800 0.034 0.000 1.100 341 F CA 1.390 59.398 58.000 0.013 0.000 1.260 341 F CB -0.956 38.058 39.000 0.022 0.000 1.009 341 F HN -0.102 nan 8.300 nan 0.000 0.476 342 A N -0.133 122.759 122.820 0.121 0.000 1.948 342 A HA -0.300 4.018 4.320 -0.003 0.000 0.220 342 A C 2.174 179.740 177.584 -0.031 0.000 1.177 342 A CA 2.087 54.159 52.037 0.058 0.000 0.636 342 A CB -1.069 18.033 19.000 0.170 0.000 0.815 342 A HN 0.592 nan 8.150 nan 0.000 0.449 343 E N -0.474 119.709 120.200 -0.028 0.000 2.106 343 E HA -0.169 4.180 4.350 -0.003 0.000 0.192 343 E C 2.224 178.753 176.600 -0.119 0.000 0.984 343 E CA 0.867 57.245 56.400 -0.038 0.000 0.806 343 E CB -0.092 29.596 29.700 -0.020 0.000 0.750 343 E HN 0.603 nan 8.360 nan 0.000 0.458 344 R N -0.219 120.144 120.500 -0.228 0.000 2.105 344 R HA -0.137 4.202 4.340 -0.003 0.000 0.239 344 R C 2.526 178.576 176.300 -0.417 0.000 1.135 344 R CA 1.458 57.341 56.100 -0.362 0.000 0.967 344 R CB -0.475 29.544 30.300 -0.467 0.000 0.861 344 R HN 0.343 nan 8.270 nan 0.000 0.442 345 C N -0.043 119.009 119.300 -0.412 0.000 2.432 345 C HA -0.071 4.388 4.460 -0.003 0.000 0.277 345 C C 2.952 178.011 174.990 0.116 0.000 1.249 345 C CA 0.808 59.751 59.018 -0.124 0.000 1.725 345 C CB -0.968 26.784 27.740 0.021 0.000 2.028 345 C HN 0.598 nan 8.230 nan 0.000 0.477 346 A N 0.386 123.248 122.820 0.071 0.000 1.877 346 A HA -0.180 4.138 4.320 -0.003 0.000 0.216 346 A C 2.271 179.919 177.584 0.107 0.000 1.186 346 A CA 1.413 53.531 52.037 0.135 0.000 0.620 346 A CB -0.540 18.539 19.000 0.133 0.000 0.822 346 A HN 0.647 nan 8.150 nan 0.000 0.443 347 R N -0.980 119.520 120.500 -0.000 0.000 2.092 347 R HA -0.128 4.211 4.340 -0.003 0.000 0.231 347 R C 2.222 178.426 176.300 -0.159 0.000 1.119 347 R CA 1.494 57.545 56.100 -0.082 0.000 0.970 347 R CB -0.181 29.946 30.300 -0.288 0.000 0.864 347 R HN 0.628 nan 8.270 nan 0.000 0.440 348 E N 0.446 120.514 120.200 -0.219 0.000 2.152 348 E HA -0.069 4.279 4.350 -0.003 0.000 0.192 348 E C 1.640 178.215 176.600 -0.040 0.000 0.983 348 E CA 1.320 57.538 56.400 -0.303 0.000 0.818 348 E CB 0.036 29.346 29.700 -0.650 0.000 0.758 348 E HN 0.038 nan 8.360 nan 0.000 0.467 349 S N -0.148 115.692 115.700 0.233 0.000 2.382 349 S HA -0.073 4.395 4.470 -0.003 0.000 0.228 349 S C 1.869 176.497 174.600 0.048 0.000 1.027 349 S CA 1.173 59.523 58.200 0.249 0.000 0.991 349 S CB -0.239 63.167 63.200 0.344 0.000 0.823 349 S HN 0.316 nan 8.310 nan 0.000 0.469 350 I N 0.888 121.510 120.570 0.086 0.000 2.353 350 I HA -0.098 4.070 4.170 -0.003 0.000 0.248 350 I C 2.745 178.922 176.117 0.101 0.000 1.119 350 I CA 0.756 62.107 61.300 0.085 0.000 1.417 350 I CB -0.238 37.808 38.000 0.078 0.000 1.078 350 I HN 0.175 nan 8.210 nan 0.000 0.421 351 R N 1.415 121.943 120.500 0.047 0.000 2.070 351 R HA -0.196 4.143 4.340 -0.003 0.000 0.233 351 R C 2.441 178.644 176.300 -0.162 0.000 1.137 351 R CA 1.788 57.752 56.100 -0.226 0.000 0.945 351 R CB -0.370 29.657 30.300 -0.455 0.000 0.845 351 R HN 0.261 nan 8.270 nan 0.000 0.430 352 R N -0.037 120.357 120.500 -0.176 0.000 2.075 352 R HA -0.074 4.264 4.340 -0.003 0.000 0.232 352 R C -0.229 176.063 176.300 -0.014 0.000 1.126 352 R CA 1.650 57.664 56.100 -0.143 0.000 0.963 352 R CB 0.154 30.367 30.300 -0.146 0.000 0.858 352 R HN 0.193 nan 8.270 nan 0.000 0.435 353 D N 1.402 121.717 120.400 -0.142 0.000 2.513 353 D HA 0.229 4.867 4.640 -0.003 0.000 0.295 353 D C -2.567 173.749 176.300 0.027 0.000 1.202 353 D CA -1.315 52.601 54.000 -0.141 0.000 0.849 353 D CB 1.717 42.096 40.800 -0.703 0.000 1.116 353 D HN 0.236 nan 8.370 nan 0.000 0.502 354 P HA 0.158 nan 4.420 nan 0.000 0.276 354 P C -2.008 175.359 177.300 0.111 0.000 1.230 354 P CA -1.100 62.049 63.100 0.082 0.000 0.776 354 P CB 1.334 33.042 31.700 0.014 0.000 0.888 355 P HA -0.009 nan 4.420 nan 0.000 0.219 355 P C 0.303 177.673 177.300 0.117 0.000 1.150 355 P CA 1.323 64.506 63.100 0.139 0.000 0.814 355 P CB 0.241 32.021 31.700 0.134 0.000 0.787 356 L N -0.120 121.153 121.223 0.082 0.000 2.276 356 L HA 0.261 4.599 4.340 -0.003 0.000 0.286 356 L C 1.507 178.404 176.870 0.046 0.000 1.024 356 L CA -0.531 54.361 54.840 0.085 0.000 0.826 356 L CB 1.393 43.510 42.059 0.096 0.000 1.211 356 L HN -0.164 nan 8.230 nan 0.000 0.422 357 L N 2.987 124.253 121.223 0.072 0.000 2.209 357 L HA 0.165 4.503 4.340 -0.003 0.000 0.207 357 L C 0.300 177.183 176.870 0.021 0.000 1.094 357 L CA 0.920 55.790 54.840 0.051 0.000 0.790 357 L CB 0.029 42.150 42.059 0.103 0.000 0.932 357 L HN 0.574 nan 8.230 nan 0.000 0.447 358 M N 0.898 120.522 119.600 0.040 0.000 2.267 358 M HA 0.408 4.886 4.480 -0.003 0.000 0.289 358 M C -1.144 175.156 176.300 -0.000 0.000 1.043 358 M CA -0.189 55.113 55.300 0.004 0.000 0.928 358 M CB 2.572 35.198 32.600 0.042 0.000 1.613 358 M HN -0.094 nan 8.290 nan 0.000 0.450 359 L N 4.090 125.276 121.223 -0.063 0.000 2.307 359 L HA 0.710 5.048 4.340 -0.003 0.000 0.284 359 L C -0.436 176.494 176.870 0.100 0.000 1.023 359 L CA -0.325 54.543 54.840 0.046 0.000 0.810 359 L CB 1.606 43.708 42.059 0.072 0.000 1.231 359 L HN 0.687 nan 8.230 nan 0.000 0.423 360 M N 3.532 123.245 119.600 0.189 0.000 2.572 360 M HA 0.643 5.122 4.480 -0.003 0.000 0.299 360 M C -0.941 175.413 176.300 0.089 0.000 1.205 360 M CA -0.808 54.585 55.300 0.155 0.000 0.876 360 M CB 2.870 35.481 32.600 0.019 0.000 1.728 360 M HN 0.470 nan 8.290 nan 0.000 0.458 361 R N 1.167 121.690 120.500 0.038 0.000 2.707 361 R HA 0.483 4.821 4.340 -0.003 0.000 0.272 361 R C -1.429 174.837 176.300 -0.058 0.000 1.011 361 R CA -1.069 54.979 56.100 -0.087 0.000 0.893 361 R CB 2.157 32.311 30.300 -0.243 0.000 1.233 361 R HN 0.525 nan 8.270 nan 0.000 0.464 362 K N 1.071 121.434 120.400 -0.060 0.000 2.258 362 K HA 0.230 4.549 4.320 -0.003 0.000 0.284 362 K C -0.571 176.010 176.600 -0.031 0.000 1.051 362 K CA -0.368 55.896 56.287 -0.037 0.000 0.923 362 K CB 1.004 33.490 32.500 -0.024 0.000 1.046 362 K HN 0.356 nan 8.250 nan 0.000 0.474 363 V N 7.031 126.934 119.914 -0.020 0.000 2.421 363 V HA 0.007 4.126 4.120 -0.003 0.000 0.271 363 V C 0.957 177.051 176.094 0.000 0.000 1.031 363 V CA -0.062 62.229 62.300 -0.015 0.000 1.032 363 V CB 0.534 32.356 31.823 -0.002 0.000 1.009 363 V HN 0.867 nan 8.190 nan 0.000 0.477 364 M N 3.355 122.956 119.600 0.003 0.000 2.502 364 M HA 0.411 4.889 4.480 -0.003 0.000 0.243 364 M C 0.575 176.887 176.300 0.020 0.000 1.130 364 M CA 0.359 55.673 55.300 0.023 0.000 1.055 364 M CB -0.278 32.348 32.600 0.044 0.000 1.457 364 M HN 0.741 nan 8.290 nan 0.000 0.488 365 A N 0.076 122.903 122.820 0.012 0.000 2.582 365 A HA 0.477 4.796 4.320 -0.003 0.000 0.297 365 A C -1.391 176.200 177.584 0.011 0.000 1.059 365 A CA -1.046 50.999 52.037 0.014 0.000 0.705 365 A CB 0.673 19.681 19.000 0.013 0.000 1.279 365 A HN 0.162 nan 8.150 nan 0.000 0.404 366 D N 1.053 121.463 120.400 0.017 0.000 2.583 366 D HA 0.320 4.959 4.640 -0.003 0.000 0.232 366 D C 0.529 176.841 176.300 0.020 0.000 1.128 366 D CA 1.193 55.206 54.000 0.021 0.000 0.859 366 D CB 0.763 41.578 40.800 0.026 0.000 1.169 366 D HN 1.154 nan 8.370 nan 0.000 0.481 367 V N -0.883 119.046 119.914 0.025 0.000 2.962 367 V HA 0.630 4.748 4.120 -0.003 0.000 0.313 367 V C -0.419 175.702 176.094 0.044 0.000 1.099 367 V CA -1.230 61.086 62.300 0.027 0.000 0.971 367 V CB 2.192 34.025 31.823 0.015 0.000 1.028 367 V HN 0.261 nan 8.190 nan 0.000 0.430 368 K N 2.644 123.071 120.400 0.045 0.000 2.183 368 K HA 0.752 5.071 4.320 -0.003 0.000 0.274 368 K C -1.233 175.409 176.600 0.071 0.000 1.009 368 K CA -0.427 55.893 56.287 0.055 0.000 0.888 368 K CB 1.424 33.947 32.500 0.037 0.000 1.078 368 K HN 0.803 nan 8.250 nan 0.000 0.459 369 V N 4.861 124.834 119.914 0.097 0.000 2.488 369 V HA 0.551 4.669 4.120 -0.003 0.000 0.293 369 V C 0.750 176.915 176.094 0.118 0.000 1.027 369 V CA -0.183 62.187 62.300 0.118 0.000 0.862 369 V CB 0.516 32.425 31.823 0.145 0.000 1.008 369 V HN 1.048 nan 8.190 nan 0.000 0.428 370 G N 5.135 113.975 108.800 0.067 0.000 2.622 370 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.307 370 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.307 370 G C 1.120 175.956 174.900 -0.107 0.000 1.226 370 G CA 0.730 45.831 45.100 0.002 0.000 0.997 370 G HN 0.870 nan 8.290 nan 0.000 0.551 371 S N 0.175 115.677 115.700 -0.331 0.000 2.489 371 S HA 0.248 4.717 4.470 -0.003 0.000 0.228 371 S C 0.679 175.008 174.600 -0.452 0.000 0.995 371 S CA 1.389 59.298 58.200 -0.485 0.000 0.934 371 S CB -0.089 62.685 63.200 -0.710 0.000 0.771 371 S HN 0.472 nan 8.310 nan 0.000 0.522 372 Y N 0.364 120.682 120.300 0.031 0.000 2.534 372 Y HA 0.600 5.148 4.550 -0.002 0.000 0.329 372 Y C 0.213 176.129 175.900 0.027 0.000 1.154 372 Y CA -1.377 56.741 58.100 0.031 0.000 1.192 372 Y CB 0.536 39.017 38.460 0.035 0.000 1.275 372 Y HN -0.252 nan 8.280 nan 0.000 0.491 373 V N 1.942 121.977 119.914 0.201 0.000 2.532 373 V HA 0.410 4.529 4.120 -0.003 0.000 0.295 373 V C -0.520 175.641 176.094 0.112 0.000 1.041 373 V CA -0.929 61.444 62.300 0.121 0.000 0.926 373 V CB 1.487 33.361 31.823 0.084 0.000 0.992 373 V HN 0.507 nan 8.190 nan 0.000 0.457 374 V N 6.392 126.352 119.914 0.078 0.000 2.350 374 V HA 0.381 4.499 4.120 -0.003 0.000 0.285 374 V C -2.184 173.933 176.094 0.039 0.000 1.014 374 V CA -1.634 60.697 62.300 0.051 0.000 0.831 374 V CB 1.715 33.564 31.823 0.043 0.000 1.000 374 V HN 0.768 nan 8.190 nan 0.000 0.433 375 P HA 0.168 nan 4.420 nan 0.000 0.277 375 P C -0.380 176.934 177.300 0.023 0.000 1.240 375 P CA -0.683 62.434 63.100 0.030 0.000 0.798 375 P CB 0.943 32.661 31.700 0.031 0.000 0.979 376 K N 1.119 121.531 120.400 0.021 0.000 2.543 376 K HA 0.023 4.341 4.320 -0.003 0.000 0.279 376 K C 1.112 177.723 176.600 0.018 0.000 1.001 376 K CA 1.497 57.794 56.287 0.018 0.000 1.088 376 K CB -0.843 31.668 32.500 0.019 0.000 0.863 376 K HN 0.838 nan 8.250 nan 0.000 0.488 377 G N 3.048 111.857 108.800 0.015 0.000 2.213 377 G HA2 -0.215 3.744 3.960 -0.003 0.000 0.236 377 G HA3 -0.215 3.744 3.960 -0.003 0.000 0.236 377 G C -0.252 174.659 174.900 0.017 0.000 0.991 377 G CA 0.181 45.289 45.100 0.015 0.000 0.629 377 G HN 0.719 nan 8.290 nan 0.000 0.517 378 D N 0.268 120.680 120.400 0.019 0.000 2.357 378 D HA 0.514 5.153 4.640 -0.003 0.000 0.242 378 D C 0.944 177.255 176.300 0.018 0.000 1.153 378 D CA -0.037 53.978 54.000 0.025 0.000 0.918 378 D CB 0.728 41.542 40.800 0.023 0.000 1.181 378 D HN 0.308 nan 8.370 nan 0.000 0.435 379 I N 1.933 122.523 120.570 0.033 0.000 2.371 379 I HA 0.211 4.379 4.170 -0.003 0.000 0.290 379 I C 0.270 176.408 176.117 0.035 0.000 1.028 379 I CA -0.266 61.050 61.300 0.027 0.000 1.345 379 I CB 0.805 38.836 38.000 0.053 0.000 1.407 379 I HN 0.179 nan 8.210 nan 0.000 0.501 380 I N 6.184 126.781 120.570 0.045 0.000 2.460 380 I HA 0.734 4.902 4.170 -0.003 0.000 0.298 380 I C -0.427 175.792 176.117 0.170 0.000 0.989 380 I CA -0.248 61.100 61.300 0.080 0.000 1.173 380 I CB 1.185 39.242 38.000 0.096 0.000 1.338 380 I HN 0.683 nan 8.210 nan 0.000 0.456 381 A N 6.381 129.227 122.820 0.043 0.000 2.435 381 A HA 0.672 4.990 4.320 -0.003 0.000 0.304 381 A C -1.607 175.677 177.584 -0.500 0.000 1.064 381 A CA -0.478 51.477 52.037 -0.136 0.000 0.727 381 A CB 1.561 20.486 19.000 -0.125 0.000 1.284 381 A HN 0.772 nan 8.150 nan 0.000 0.415 382 C N 1.335 120.023 119.300 -1.020 0.000 2.396 382 C HA 0.787 5.246 4.460 -0.003 0.000 0.321 382 C C 0.280 174.963 174.990 -0.512 0.000 1.233 382 C CA -0.228 58.256 59.018 -0.890 0.000 1.440 382 C CB 0.593 27.366 27.740 -1.612 0.000 2.110 382 C HN 0.993 nan 8.230 nan 0.000 0.473 383 S N 6.402 121.936 115.700 -0.276 0.000 2.461 383 S HA 0.448 4.917 4.470 -0.003 0.000 0.322 383 S C -1.585 172.888 174.600 -0.212 0.000 1.063 383 S CA -1.150 56.946 58.200 -0.174 0.000 1.120 383 S CB 1.123 64.283 63.200 -0.067 0.000 0.968 383 S HN 0.699 nan 8.310 nan 0.000 0.467 384 P HA -0.148 nan 4.420 nan 0.000 0.217 384 P C 1.488 178.420 177.300 -0.613 0.000 1.151 384 P CA 0.587 63.288 63.100 -0.664 0.000 0.849 384 P CB 0.115 31.497 31.700 -0.530 0.000 0.787 385 L N -1.043 120.036 121.223 -0.241 0.000 1.994 385 L HA -0.126 4.212 4.340 -0.003 0.000 0.208 385 L C 2.188 179.065 176.870 0.012 0.000 1.071 385 L CA 1.792 56.582 54.840 -0.084 0.000 0.745 385 L CB -1.577 40.425 42.059 -0.094 0.000 0.892 385 L HN -0.122 nan 8.230 nan 0.000 0.431 386 L N -1.090 120.122 121.223 -0.018 0.000 2.005 386 L HA -0.136 4.203 4.340 -0.003 0.000 0.207 386 L C 2.491 179.447 176.870 0.144 0.000 1.072 386 L CA 2.092 56.967 54.840 0.059 0.000 0.744 386 L CB -0.904 41.193 42.059 0.063 0.000 0.895 386 L HN 0.296 nan 8.230 nan 0.000 0.433 387 S N -0.949 114.821 115.700 0.117 0.000 2.383 387 S HA -0.196 4.272 4.470 -0.003 0.000 0.229 387 S C 1.766 176.619 174.600 0.421 0.000 1.030 387 S CA 1.294 59.650 58.200 0.260 0.000 1.002 387 S CB -0.675 62.750 63.200 0.374 0.000 0.829 387 S HN 0.583 nan 8.310 nan 0.000 0.467 388 H N 0.341 119.508 119.070 0.162 0.000 2.559 388 H HA 0.109 4.664 4.556 -0.003 0.000 0.273 388 H C 1.209 176.417 175.328 -0.201 0.000 1.000 388 H CA 0.624 56.606 56.048 -0.110 0.000 1.195 388 H CB -0.248 29.343 29.762 -0.285 0.000 1.368 388 H HN 0.550 nan 8.280 nan 0.000 0.592 389 H N -0.570 118.617 119.070 0.196 0.000 2.652 389 H HA 0.036 4.590 4.556 -0.003 0.000 0.274 389 H C 0.183 175.608 175.328 0.163 0.000 1.021 389 H CA -0.217 55.918 56.048 0.144 0.000 1.187 389 H CB 1.000 30.800 29.762 0.065 0.000 1.505 389 H HN 0.331 nan 8.280 nan 0.000 0.530 390 D N 1.846 122.409 120.400 0.271 0.000 2.434 390 D HA -0.064 4.575 4.640 -0.003 0.000 0.252 390 D C 0.497 176.880 176.300 0.138 0.000 1.185 390 D CA 0.306 54.412 54.000 0.176 0.000 0.886 390 D CB 1.021 41.906 40.800 0.142 0.000 1.148 390 D HN 0.374 nan 8.370 nan 0.000 0.483 391 E N 2.500 122.753 120.200 0.090 0.000 2.435 391 E HA -0.102 4.247 4.350 -0.003 0.000 0.195 391 E C 1.437 178.048 176.600 0.019 0.000 1.029 391 E CA 0.146 56.583 56.400 0.063 0.000 0.865 391 E CB 0.366 30.099 29.700 0.055 0.000 0.833 391 E HN 0.612 nan 8.360 nan 0.000 0.510 392 E N 0.656 120.858 120.200 0.003 0.000 2.028 392 E HA -0.178 4.171 4.350 -0.003 0.000 0.191 392 E C 1.970 178.494 176.600 -0.128 0.000 0.988 392 E CA 1.047 57.427 56.400 -0.034 0.000 0.799 392 E CB -0.003 29.696 29.700 -0.001 0.000 0.755 392 E HN 0.224 nan 8.360 nan 0.000 0.447 393 A N 0.085 122.778 122.820 -0.211 0.000 1.929 393 A HA -0.022 4.296 4.320 -0.003 0.000 0.216 393 A C 0.607 177.676 177.584 -0.857 0.000 1.176 393 A CA 0.789 52.485 52.037 -0.568 0.000 0.628 393 A CB -0.037 18.584 19.000 -0.633 0.000 0.816 393 A HN 0.267 nan 8.150 nan 0.000 0.444 394 F N -0.344 119.582 119.950 -0.040 0.000 2.809 394 F HA 0.350 4.875 4.527 -0.002 0.000 0.369 394 F C -2.835 172.926 175.800 -0.065 0.000 1.225 394 F CA -2.253 55.704 58.000 -0.072 0.000 1.201 394 F CB 1.409 40.346 39.000 -0.104 0.000 1.527 394 F HN -0.081 nan 8.300 nan 0.000 0.565 395 P HA 0.047 nan 4.420 nan 0.000 0.269 395 P C -0.256 177.066 177.300 0.038 0.000 1.209 395 P CA 0.297 63.419 63.100 0.037 0.000 0.776 395 P CB 0.425 32.130 31.700 0.008 0.000 0.876 396 E N 1.369 121.590 120.200 0.034 0.000 2.210 396 E HA -0.181 4.168 4.350 -0.003 0.000 0.201 396 E C -1.446 175.162 176.600 0.013 0.000 1.339 396 E CA -0.090 56.328 56.400 0.029 0.000 0.699 396 E CB -1.032 28.681 29.700 0.021 0.000 1.126 396 E HN 0.520 nan 8.360 nan 0.000 0.355 397 P HA -0.119 nan 4.420 nan 0.000 0.233 397 P C 0.927 178.164 177.300 -0.104 0.000 1.167 397 P CA 0.661 63.699 63.100 -0.104 0.000 0.770 397 P CB 0.331 31.927 31.700 -0.173 0.000 0.837 398 R N -0.143 120.377 120.500 0.034 0.000 2.275 398 R HA 0.076 4.414 4.340 -0.003 0.000 0.199 398 R C 1.303 177.625 176.300 0.036 0.000 0.989 398 R CA -0.044 56.101 56.100 0.074 0.000 1.016 398 R CB -0.786 29.579 30.300 0.107 0.000 0.918 398 R HN 0.245 nan 8.270 nan 0.000 0.473 399 R N 0.734 121.243 120.500 0.015 0.000 2.351 399 R HA -0.040 4.298 4.340 -0.003 0.000 0.318 399 R C -0.865 175.429 176.300 -0.010 0.000 1.055 399 R CA -0.296 55.817 56.100 0.022 0.000 0.968 399 R CB 0.126 30.433 30.300 0.013 0.000 0.974 399 R HN -0.032 nan 8.270 nan 0.000 0.439 400 W N 6.288 127.461 121.300 -0.211 0.000 2.485 400 W HA 0.091 4.750 4.660 -0.002 0.000 0.315 400 W C -0.829 175.538 176.519 -0.254 0.000 1.304 400 W CA -0.012 57.115 57.345 -0.363 0.000 1.345 400 W CB 0.575 29.619 29.460 -0.693 0.000 1.368 400 W HN 0.507 nan 8.180 nan 0.000 0.497 401 D N 8.671 128.619 120.400 -0.754 0.000 2.358 401 D HA 0.241 4.880 4.640 -0.003 0.000 0.253 401 D C -1.695 174.052 176.300 -0.921 0.000 1.288 401 D CA -2.163 51.419 54.000 -0.698 0.000 0.950 401 D CB 1.850 42.479 40.800 -0.286 0.000 1.197 401 D HN 0.126 nan 8.370 nan 0.000 0.550 402 P HA -0.033 nan 4.420 nan 0.000 0.226 402 P C 0.638 177.611 177.300 -0.546 0.000 1.153 402 P CA 0.618 63.104 63.100 -1.023 0.000 0.777 402 P CB 0.488 31.418 31.700 -1.284 0.000 0.794 403 E N 0.099 120.096 120.200 -0.338 0.000 2.482 403 E HA -0.060 4.288 4.350 -0.003 0.000 0.196 403 E C 1.047 177.568 176.600 -0.131 0.000 1.047 403 E CA -0.076 56.255 56.400 -0.115 0.000 0.869 403 E CB -0.194 29.518 29.700 0.020 0.000 0.836 403 E HN 0.447 nan 8.360 nan 0.000 0.520 404 R N 1.419 121.803 120.500 -0.193 0.000 2.679 404 R HA 0.147 4.486 4.340 -0.003 0.000 0.269 404 R C -0.426 175.810 176.300 -0.107 0.000 1.076 404 R CA 0.006 56.031 56.100 -0.125 0.000 1.160 404 R CB 0.629 30.862 30.300 -0.112 0.000 1.054 404 R HN -0.274 nan 8.270 nan 0.000 0.507 405 D N 0.766 121.128 120.400 -0.063 0.000 2.527 405 D HA 0.083 4.721 4.640 -0.003 0.000 0.233 405 D C -0.572 175.697 176.300 -0.052 0.000 1.063 405 D CA -0.666 53.300 54.000 -0.057 0.000 0.880 405 D CB 1.693 42.454 40.800 -0.065 0.000 1.457 405 D HN 0.704 nan 8.370 nan 0.000 0.475 406 E N 0.551 120.722 120.200 -0.049 0.000 2.442 406 E HA -0.017 4.332 4.350 -0.003 0.000 0.262 406 E C 0.006 176.433 176.600 -0.289 0.000 1.004 406 E CA -0.062 56.159 56.400 -0.298 0.000 0.928 406 E CB 0.919 30.515 29.700 -0.173 0.000 0.937 406 E HN 0.050 nan 8.360 nan 0.000 0.446 407 K N 1.878 122.034 120.400 -0.406 0.000 2.353 407 K HA 0.200 4.518 4.320 -0.003 0.000 0.195 407 K C -0.293 176.180 176.600 -0.212 0.000 1.031 407 K CA -0.031 56.113 56.287 -0.240 0.000 1.079 407 K CB 0.829 33.210 32.500 -0.198 0.000 0.857 407 K HN 0.382 nan 8.250 nan 0.000 0.535 408 V N 1.793 121.530 119.914 -0.295 0.000 2.495 408 V HA 0.194 4.313 4.120 -0.003 0.000 0.298 408 V C 0.103 176.093 176.094 -0.174 0.000 1.031 408 V CA -1.233 60.920 62.300 -0.244 0.000 0.871 408 V CB 2.138 33.715 31.823 -0.410 0.000 0.988 408 V HN 0.126 nan 8.190 nan 0.000 0.432 409 E N 3.029 123.176 120.200 -0.089 0.000 2.493 409 E HA 0.268 4.616 4.350 -0.003 0.000 0.255 409 E C 1.242 177.848 176.600 0.009 0.000 0.999 409 E CA 1.096 57.482 56.400 -0.024 0.000 0.934 409 E CB 0.311 30.015 29.700 0.006 0.000 0.940 409 E HN 1.108 nan 8.360 nan 0.000 0.473 410 G N 3.069 111.913 108.800 0.074 0.000 2.179 410 G HA2 -0.386 3.572 3.960 -0.003 0.000 0.260 410 G HA3 -0.386 3.572 3.960 -0.003 0.000 0.260 410 G C 0.892 175.970 174.900 0.297 0.000 0.977 410 G CA 0.567 45.762 45.100 0.159 0.000 0.641 410 G HN 0.749 nan 8.290 nan 0.000 0.533 411 A N -0.426 122.517 122.820 0.205 0.000 1.969 411 A HA 0.408 4.727 4.320 -0.003 0.000 0.218 411 A C 1.081 179.048 177.584 0.638 0.000 1.169 411 A CA 1.352 53.584 52.037 0.325 0.000 0.635 411 A CB -0.182 18.824 19.000 0.010 0.000 0.810 411 A HN 1.351 nan 8.150 nan 0.000 0.445 412 F N 1.095 121.293 119.950 0.413 0.000 2.504 412 F HA 0.416 4.941 4.527 -0.003 0.000 0.369 412 F C 0.501 176.434 175.800 0.223 0.000 1.082 412 F CA -0.288 57.872 58.000 0.267 0.000 1.216 412 F CB 0.570 39.630 39.000 0.099 0.000 1.108 412 F HN 0.250 nan 8.300 nan 0.000 0.554 413 I N 3.485 123.837 120.570 -0.363 0.000 3.114 413 I HA 0.380 4.548 4.170 -0.003 0.000 0.326 413 I C 1.062 176.850 176.117 -0.548 0.000 1.510 413 I CA -0.199 60.854 61.300 -0.411 0.000 0.918 413 I CB 0.253 38.067 38.000 -0.311 0.000 1.561 413 I HN 0.645 nan 8.210 nan 0.000 0.565 414 G N 1.284 109.322 108.800 -1.270 0.000 2.443 414 G HA2 -0.067 3.892 3.960 -0.003 0.000 0.219 414 G HA3 -0.067 3.892 3.960 -0.003 0.000 0.219 414 G C 0.759 175.313 174.900 -0.577 0.000 1.131 414 G CA 0.813 45.404 45.100 -0.848 0.000 0.775 414 G HN 0.493 nan 8.290 nan 0.000 0.547 415 F N 0.941 120.809 119.950 -0.136 0.000 2.772 415 F HA 0.437 4.962 4.527 -0.002 0.000 0.302 415 F C 1.558 177.368 175.800 0.016 0.000 1.136 415 F CA -0.042 57.982 58.000 0.041 0.000 1.322 415 F CB 0.637 39.720 39.000 0.139 0.000 0.967 415 F HN 0.360 nan 8.300 nan 0.000 0.513 416 G N 1.441 110.273 108.800 0.054 0.000 2.601 416 G HA2 0.142 4.100 3.960 -0.003 0.000 0.252 416 G HA3 0.142 4.100 3.960 -0.003 0.000 0.252 416 G C -0.477 174.285 174.900 -0.230 0.000 1.294 416 G CA -0.376 44.736 45.100 0.020 0.000 0.912 416 G HN 1.080 nan 8.290 nan 0.000 0.574 417 A N -2.763 119.919 122.820 -0.229 0.000 2.522 417 A HA 1.024 5.342 4.320 -0.003 0.000 0.291 417 A C 1.269 178.891 177.584 0.063 0.000 1.039 417 A CA 1.225 53.110 52.037 -0.254 0.000 0.643 417 A CB 0.398 18.963 19.000 -0.725 0.000 1.310 417 A HN 3.226 nan 8.150 nan 0.000 0.436 418 G N -0.883 107.959 108.800 0.070 0.000 2.574 418 G HA2 -0.050 3.908 3.960 -0.003 0.000 0.286 418 G HA3 -0.050 3.908 3.960 -0.003 0.000 0.286 418 G C 1.155 176.106 174.900 0.085 0.000 1.212 418 G CA 1.317 46.493 45.100 0.126 0.000 0.979 418 G HN 1.884 nan 8.290 nan 0.000 0.557 419 V N 0.768 120.716 119.914 0.057 0.000 2.469 419 V HA -0.098 4.020 4.120 -0.003 0.000 0.251 419 V C 1.727 177.651 176.094 -0.283 0.000 1.064 419 V CA 2.612 64.831 62.300 -0.135 0.000 1.066 419 V CB -0.484 31.219 31.823 -0.201 0.000 0.667 419 V HN 0.678 nan 8.190 nan 0.000 0.461 420 H N -0.061 119.088 119.070 0.132 0.000 2.492 420 H HA 0.228 4.783 4.556 -0.002 0.000 0.264 420 H C 0.655 176.093 175.328 0.182 0.000 1.150 420 H CA -0.437 55.704 56.048 0.155 0.000 0.962 420 H CB 0.230 30.099 29.762 0.179 0.000 1.766 420 H HN 0.595 nan 8.280 nan 0.000 0.589 421 K N 0.102 120.625 120.400 0.205 0.000 2.336 421 K HA 0.068 4.387 4.320 -0.003 0.000 0.262 421 K C 0.278 176.984 176.600 0.177 0.000 0.992 421 K CA -0.344 56.049 56.287 0.176 0.000 0.927 421 K CB 0.783 33.342 32.500 0.098 0.000 0.956 421 K HN 0.040 nan 8.250 nan 0.000 0.495 422 C N 4.495 123.917 119.300 0.204 0.000 2.648 422 C HA 0.150 4.609 4.460 -0.003 0.000 0.415 422 C C 1.745 176.815 174.990 0.133 0.000 1.366 422 C CA -0.674 58.474 59.018 0.217 0.000 1.756 422 C CB -1.678 26.263 27.740 0.335 0.000 2.549 422 C HN 0.944 nan 8.230 nan 0.000 0.597 423 I N 3.583 124.226 120.570 0.122 0.000 3.419 423 I HA 0.290 4.458 4.170 -0.003 0.000 0.286 423 I C 1.629 177.813 176.117 0.113 0.000 1.268 423 I CA 1.234 62.584 61.300 0.083 0.000 1.414 423 I CB -0.333 37.697 38.000 0.050 0.000 1.074 423 I HN 0.670 nan 8.210 nan 0.000 0.457 424 G N 0.792 109.688 108.800 0.159 0.000 3.088 424 G HA2 -0.020 3.938 3.960 -0.003 0.000 0.217 424 G HA3 -0.020 3.938 3.960 -0.003 0.000 0.217 424 G C 1.346 176.374 174.900 0.212 0.000 1.159 424 G CA 0.135 45.372 45.100 0.227 0.000 0.760 424 G HN 0.502 nan 8.290 nan 0.000 0.550 425 Q N 0.639 120.474 119.800 0.058 0.000 2.077 425 Q HA -0.192 4.146 4.340 -0.003 0.000 0.206 425 Q C 2.166 178.091 176.000 -0.126 0.000 0.989 425 Q CA 1.830 57.476 55.803 -0.261 0.000 0.853 425 Q CB -0.086 28.266 28.738 -0.643 0.000 0.907 425 Q HN 0.415 nan 8.270 nan 0.000 0.418 426 K N -0.479 119.955 120.400 0.057 0.000 2.103 426 K HA -0.107 4.211 4.320 -0.003 0.000 0.204 426 K C 1.802 178.638 176.600 0.394 0.000 1.052 426 K CA 1.286 57.699 56.287 0.211 0.000 0.945 426 K CB -0.265 32.381 32.500 0.242 0.000 0.722 426 K HN 0.196 nan 8.250 nan 0.000 0.443 427 F N 1.280 121.408 119.950 0.297 0.000 2.146 427 F HA -0.021 4.505 4.527 -0.002 0.000 0.298 427 F C 2.043 177.837 175.800 -0.010 0.000 1.096 427 F CA 1.583 59.623 58.000 0.068 0.000 1.275 427 F CB -0.791 38.290 39.000 0.136 0.000 1.008 427 F HN 0.016 nan 8.300 nan 0.000 0.480 428 G N 1.112 109.903 108.800 -0.014 0.000 2.491 428 G HA2 -0.271 3.688 3.960 -0.003 0.000 0.218 428 G HA3 -0.271 3.688 3.960 -0.003 0.000 0.218 428 G C 1.768 176.613 174.900 -0.092 0.000 1.180 428 G CA 1.346 46.395 45.100 -0.084 0.000 0.774 428 G HN 0.440 nan 8.290 nan 0.000 0.562 429 L N -0.310 120.913 121.223 0.001 0.000 2.201 429 L HA 0.032 4.371 4.340 -0.003 0.000 0.212 429 L C 2.695 179.537 176.870 -0.046 0.000 1.105 429 L CA 0.158 55.010 54.840 0.020 0.000 0.775 429 L CB -0.380 41.705 42.059 0.043 0.000 0.913 429 L HN 0.196 nan 8.230 nan 0.000 0.440 430 L N -0.220 120.939 121.223 -0.107 0.000 2.017 430 L HA -0.253 4.086 4.340 -0.003 0.000 0.208 430 L C 2.651 179.395 176.870 -0.211 0.000 1.073 430 L CA 1.795 56.541 54.840 -0.157 0.000 0.745 430 L CB -0.367 41.523 42.059 -0.281 0.000 0.894 430 L HN 0.248 nan 8.230 nan 0.000 0.432 431 Q N -1.308 118.282 119.800 -0.349 0.000 2.020 431 Q HA -0.206 4.132 4.340 -0.003 0.000 0.202 431 Q C 2.172 178.077 176.000 -0.159 0.000 0.982 431 Q CA 2.117 57.731 55.803 -0.315 0.000 0.838 431 Q CB -0.442 28.021 28.738 -0.459 0.000 0.899 431 Q HN 0.442 nan 8.270 nan 0.000 0.423 432 V N 1.500 121.352 119.914 -0.104 0.000 2.252 432 V HA -0.326 3.793 4.120 -0.003 0.000 0.249 432 V C 2.061 178.169 176.094 0.023 0.000 1.056 432 V CA 2.201 64.490 62.300 -0.017 0.000 1.022 432 V CB -0.519 31.330 31.823 0.043 0.000 0.641 432 V HN 0.327 nan 8.190 nan 0.000 0.445 433 K N -0.423 119.991 120.400 0.023 0.000 2.148 433 K HA -0.109 4.209 4.320 -0.003 0.000 0.204 433 K C 2.186 178.827 176.600 0.069 0.000 1.050 433 K CA 1.707 58.033 56.287 0.064 0.000 0.942 433 K CB -0.427 32.101 32.500 0.047 0.000 0.724 433 K HN 0.481 nan 8.250 nan 0.000 0.446 434 T N 1.556 116.117 114.554 0.012 0.000 2.777 434 T HA -0.059 4.290 4.350 -0.003 0.000 0.266 434 T C 1.875 176.603 174.700 0.046 0.000 1.040 434 T CA 1.024 63.135 62.100 0.018 0.000 1.141 434 T CB -0.159 68.691 68.868 -0.031 0.000 0.868 434 T HN 0.117 nan 8.240 nan 0.000 0.444 435 I N 0.757 121.338 120.570 0.018 0.000 2.179 435 I HA -0.125 4.043 4.170 -0.003 0.000 0.242 435 I C 2.288 178.473 176.117 0.114 0.000 1.088 435 I CA 1.123 62.439 61.300 0.027 0.000 1.357 435 I CB -0.468 37.511 38.000 -0.035 0.000 1.051 435 I HN 0.178 nan 8.210 nan 0.000 0.409 436 L N 0.635 121.957 121.223 0.165 0.000 2.012 436 L HA -0.261 4.078 4.340 -0.003 0.000 0.210 436 L C 2.891 179.996 176.870 0.391 0.000 1.073 436 L CA 1.631 56.663 54.840 0.320 0.000 0.748 436 L CB -0.818 41.437 42.059 0.326 0.000 0.891 436 L HN 0.276 nan 8.230 nan 0.000 0.431 437 A N -0.529 122.470 122.820 0.298 0.000 1.902 437 A HA -0.196 4.122 4.320 -0.003 0.000 0.217 437 A C 2.353 180.108 177.584 0.286 0.000 1.181 437 A CA 2.367 54.591 52.037 0.313 0.000 0.623 437 A CB -0.916 18.260 19.000 0.292 0.000 0.818 437 A HN 0.426 nan 8.150 nan 0.000 0.443 438 T N 0.222 114.909 114.554 0.223 0.000 2.777 438 T HA 0.055 4.403 4.350 -0.003 0.000 0.266 438 T C 2.247 177.112 174.700 0.276 0.000 1.040 438 T CA 1.484 63.707 62.100 0.205 0.000 1.141 438 T CB -0.460 68.488 68.868 0.134 0.000 0.868 438 T HN 0.582 nan 8.240 nan 0.000 0.444 439 A N 1.123 124.114 122.820 0.285 0.000 1.845 439 A HA 0.036 4.354 4.320 -0.003 0.000 0.215 439 A C 1.921 179.733 177.584 0.379 0.000 1.195 439 A CA 1.274 53.536 52.037 0.375 0.000 0.616 439 A CB -1.094 18.025 19.000 0.198 0.000 0.832 439 A HN 0.508 nan 8.150 nan 0.000 0.443 440 F N -0.540 119.665 119.950 0.424 0.000 2.699 440 F HA 0.031 4.556 4.527 -0.003 0.000 0.298 440 F C 2.358 178.300 175.800 0.236 0.000 1.154 440 F CA 0.883 59.097 58.000 0.357 0.000 1.457 440 F CB 0.033 39.216 39.000 0.306 0.000 1.106 440 F HN 0.199 nan 8.300 nan 0.000 0.585 441 R N -0.268 120.443 120.500 0.351 0.000 2.075 441 R HA -0.068 4.270 4.340 -0.003 0.000 0.226 441 R C 1.594 177.973 176.300 0.132 0.000 1.114 441 R CA 1.651 57.882 56.100 0.220 0.000 0.972 441 R CB -0.149 30.268 30.300 0.195 0.000 0.869 441 R HN 0.104 nan 8.270 nan 0.000 0.437 442 S N -1.115 114.649 115.700 0.107 0.000 2.511 442 S HA 0.191 4.660 4.470 -0.003 0.000 0.214 442 S C -0.810 173.548 174.600 -0.404 0.000 0.997 442 S CA -0.100 58.009 58.200 -0.151 0.000 0.908 442 S CB 0.389 63.439 63.200 -0.251 0.000 0.803 442 S HN 0.202 nan 8.310 nan 0.000 0.504 443 Y N 1.013 121.316 120.300 0.006 0.000 2.524 443 Y HA 0.490 5.039 4.550 -0.003 0.000 0.347 443 Y C -0.278 175.473 175.900 -0.248 0.000 1.005 443 Y CA -1.359 56.605 58.100 -0.226 0.000 1.025 443 Y CB 1.204 39.334 38.460 -0.548 0.000 1.275 443 Y HN -0.072 nan 8.280 nan 0.000 0.460 444 D N 0.988 121.292 120.400 -0.160 0.000 2.385 444 D HA 0.523 5.161 4.640 -0.003 0.000 0.254 444 D C -1.274 174.687 176.300 -0.564 0.000 1.053 444 D CA -0.049 53.889 54.000 -0.104 0.000 0.992 444 D CB 1.627 42.443 40.800 0.026 0.000 1.145 444 D HN 0.267 nan 8.370 nan 0.000 0.523 445 F N 0.058 120.074 119.950 0.111 0.000 2.591 445 F HA 0.265 4.790 4.527 -0.003 0.000 0.309 445 F C 0.152 175.963 175.800 0.019 0.000 1.098 445 F CA -0.855 57.148 58.000 0.005 0.000 0.937 445 F CB 1.967 40.935 39.000 -0.054 0.000 1.250 445 F HN -0.023 nan 8.300 nan 0.000 0.447 446 Q N 3.021 122.903 119.800 0.137 0.000 2.333 446 Q HA 0.475 4.813 4.340 -0.003 0.000 0.268 446 Q C -1.148 174.880 176.000 0.046 0.000 1.007 446 Q CA -0.735 55.106 55.803 0.062 0.000 0.810 446 Q CB 1.751 30.488 28.738 -0.001 0.000 1.264 446 Q HN 0.754 nan 8.270 nan 0.000 0.452 447 L N 5.208 126.452 121.223 0.035 0.000 2.499 447 L HA 0.021 4.359 4.340 -0.003 0.000 0.273 447 L C 0.317 177.182 176.870 -0.008 0.000 1.195 447 L CA 0.209 55.056 54.840 0.011 0.000 0.882 447 L CB 0.504 42.575 42.059 0.020 0.000 1.133 447 L HN 0.761 nan 8.230 nan 0.000 0.483 448 L N 5.515 126.729 121.223 -0.015 0.000 2.779 448 L HA 0.161 4.499 4.340 -0.003 0.000 0.239 448 L C 0.303 177.165 176.870 -0.014 0.000 1.245 448 L CA -0.007 54.821 54.840 -0.020 0.000 1.064 448 L CB -0.703 41.340 42.059 -0.026 0.000 1.350 448 L HN 0.671 nan 8.230 nan 0.000 0.455 449 R N -3.850 116.647 120.500 -0.005 0.000 2.766 449 R HA 0.368 4.706 4.340 -0.003 0.000 0.270 449 R C -0.526 175.786 176.300 0.020 0.000 1.035 449 R CA -0.936 55.168 56.100 0.007 0.000 0.911 449 R CB 0.630 30.936 30.300 0.011 0.000 1.243 449 R HN -0.292 nan 8.270 nan 0.000 0.460 450 D N -0.013 120.409 120.400 0.035 0.000 2.213 450 D HA 0.044 4.682 4.640 -0.003 0.000 0.205 450 D C -0.269 176.120 176.300 0.148 0.000 0.961 450 D CA 1.268 55.298 54.000 0.051 0.000 0.853 450 D CB 0.386 41.217 40.800 0.051 0.000 0.967 450 D HN 0.327 nan 8.370 nan 0.000 0.496 451 E N 0.217 120.510 120.200 0.156 0.000 2.299 451 E HA 0.280 4.628 4.350 -0.003 0.000 0.265 451 E C -0.076 176.619 176.600 0.158 0.000 0.911 451 E CA -0.976 55.550 56.400 0.210 0.000 0.789 451 E CB 2.695 32.471 29.700 0.126 0.000 1.246 451 E HN -0.122 nan 8.360 nan 0.000 0.427 452 V N -0.627 119.359 119.914 0.119 0.000 2.763 452 V HA 0.172 4.291 4.120 -0.003 0.000 0.306 452 V C -2.214 173.940 176.094 0.100 0.000 1.059 452 V CA -1.293 61.053 62.300 0.077 0.000 1.138 452 V CB -0.543 31.281 31.823 0.002 0.000 0.940 452 V HN 0.436 nan 8.190 nan 0.000 0.489 453 P HA 0.069 nan 4.420 nan 0.000 0.266 453 P C -0.467 176.925 177.300 0.154 0.000 1.186 453 P CA 0.327 63.444 63.100 0.029 0.000 0.767 453 P CB 0.210 31.819 31.700 -0.151 0.000 0.820 454 D N 3.275 123.724 120.400 0.082 0.000 2.372 454 D HA 0.123 4.762 4.640 -0.003 0.000 0.243 454 D C -2.075 174.275 176.300 0.082 0.000 1.121 454 D CA -0.978 53.078 54.000 0.094 0.000 0.898 454 D CB -0.217 40.599 40.800 0.026 0.000 1.202 454 D HN 0.216 nan 8.370 nan 0.000 0.428 455 P HA 0.037 nan 4.420 nan 0.000 0.271 455 P C -0.357 176.714 177.300 -0.382 0.000 1.218 455 P CA -0.130 62.900 63.100 -0.118 0.000 0.780 455 P CB 0.619 32.078 31.700 -0.401 0.000 0.901 456 D N 1.425 121.642 120.400 -0.306 0.000 2.460 456 D HA 0.128 4.767 4.640 -0.003 0.000 0.232 456 D C -0.020 176.175 176.300 -0.174 0.000 1.079 456 D CA -0.581 53.309 54.000 -0.184 0.000 0.864 456 D CB -0.089 40.677 40.800 -0.056 0.000 1.048 456 D HN 0.260 nan 8.370 nan 0.000 0.523 457 Y N 1.744 122.078 120.300 0.058 0.000 2.578 457 Y HA -0.061 4.487 4.550 -0.002 0.000 0.297 457 Y C 2.266 178.186 175.900 0.033 0.000 1.176 457 Y CA 0.257 58.372 58.100 0.025 0.000 1.315 457 Y CB 0.095 38.550 38.460 -0.009 0.000 1.031 457 Y HN 0.601 nan 8.280 nan 0.000 0.524 458 H N -0.668 118.462 119.070 0.099 0.000 2.535 458 H HA 0.043 4.597 4.556 -0.002 0.000 0.273 458 H C 0.567 175.925 175.328 0.051 0.000 0.983 458 H CA 0.985 57.074 56.048 0.068 0.000 1.238 458 H CB -0.240 29.542 29.762 0.033 0.000 1.412 458 H HN 0.202 nan 8.280 nan 0.000 0.562 459 T N -3.057 111.218 114.554 -0.465 0.000 2.881 459 T HA 0.226 4.575 4.350 -0.003 0.000 0.278 459 T C 1.453 176.088 174.700 -0.109 0.000 0.982 459 T CA -0.804 61.067 62.100 -0.381 0.000 0.989 459 T CB 2.069 70.658 68.868 -0.465 0.000 1.058 459 T HN 0.178 nan 8.240 nan 0.000 0.529 460 M N 0.378 119.947 119.600 -0.052 0.000 2.132 460 M HA 0.059 4.538 4.480 -0.003 0.000 0.263 460 M C -0.139 176.206 176.300 0.075 0.000 1.065 460 M CA 1.358 56.688 55.300 0.050 0.000 1.122 460 M CB 0.141 32.813 32.600 0.119 0.000 1.365 460 M HN 0.481 nan 8.290 nan 0.000 0.411 461 V N 1.401 121.338 119.914 0.039 0.000 2.417 461 V HA 0.274 4.393 4.120 -0.003 0.000 0.291 461 V C -0.343 175.744 176.094 -0.012 0.000 1.024 461 V CA -0.899 61.437 62.300 0.059 0.000 0.861 461 V CB 1.439 33.330 31.823 0.113 0.000 0.985 461 V HN -0.083 nan 8.190 nan 0.000 0.436 462 V N 4.484 124.429 119.914 0.051 0.000 2.432 462 V HA 0.789 4.907 4.120 -0.003 0.000 0.275 462 V C 0.826 176.958 176.094 0.065 0.000 1.043 462 V CA 0.293 62.618 62.300 0.042 0.000 0.925 462 V CB 1.100 33.006 31.823 0.138 0.000 0.985 462 V HN 1.017 nan 8.190 nan 0.000 0.466 463 G N 5.054 113.828 108.800 -0.043 0.000 3.015 463 G HA2 0.722 4.681 3.960 -0.003 0.000 0.281 463 G HA3 0.722 4.681 3.960 -0.003 0.000 0.281 463 G C -3.106 171.616 174.900 -0.297 0.000 1.386 463 G CA -1.569 43.447 45.100 -0.139 0.000 0.959 463 G HN 0.511 nan 8.290 nan 0.000 0.522 464 P HA 0.130 nan 4.420 nan 0.000 0.269 464 P C 0.144 177.185 177.300 -0.432 0.000 1.209 464 P CA 0.185 62.739 63.100 -0.911 0.000 0.776 464 P CB 0.323 31.153 31.700 -1.449 0.000 0.876 465 T N 2.769 117.163 114.554 -0.267 0.000 2.831 465 T HA 0.107 4.455 4.350 -0.003 0.000 0.291 465 T C 1.744 176.343 174.700 -0.169 0.000 0.981 465 T CA 0.566 62.570 62.100 -0.160 0.000 1.174 465 T CB 0.275 69.085 68.868 -0.097 0.000 0.929 465 T HN 0.438 nan 8.240 nan 0.000 0.532 466 A N 4.043 126.781 122.820 -0.137 0.000 1.883 466 A HA -0.125 4.194 4.320 -0.003 0.000 0.217 466 A C 2.514 180.041 177.584 -0.094 0.000 1.186 466 A CA 1.930 53.892 52.037 -0.126 0.000 0.624 466 A CB -0.992 17.954 19.000 -0.090 0.000 0.822 466 A HN 0.888 nan 8.150 nan 0.000 0.444 467 S N -0.547 115.112 115.700 -0.068 0.000 2.465 467 S HA -0.194 4.274 4.470 -0.003 0.000 0.241 467 S C 1.471 176.038 174.600 -0.056 0.000 1.000 467 S CA 1.452 59.621 58.200 -0.051 0.000 0.964 467 S CB -0.437 62.740 63.200 -0.038 0.000 0.763 467 S HN 0.710 nan 8.310 nan 0.000 0.512 468 Q N -0.830 118.925 119.800 -0.075 0.000 2.280 468 Q HA 0.292 4.631 4.340 -0.003 0.000 0.201 468 Q C 0.469 176.413 176.000 -0.093 0.000 0.890 468 Q CA -0.087 55.673 55.803 -0.072 0.000 0.947 468 Q CB 0.169 28.866 28.738 -0.069 0.000 1.081 468 Q HN 0.591 nan 8.270 nan 0.000 0.502 469 C N 1.262 120.495 119.300 -0.112 0.000 2.688 469 C HA 0.252 4.711 4.460 -0.003 0.000 0.297 469 C C 0.579 175.514 174.990 -0.091 0.000 1.308 469 C CA -0.515 58.423 59.018 -0.132 0.000 1.726 469 C CB -1.001 26.630 27.740 -0.181 0.000 1.982 469 C HN 0.311 nan 8.230 nan 0.000 0.604 470 R N 1.417 121.879 120.500 -0.062 0.000 2.449 470 R HA 0.400 4.739 4.340 -0.003 0.000 0.296 470 R C -0.059 176.216 176.300 -0.042 0.000 1.047 470 R CA 0.377 56.452 56.100 -0.042 0.000 1.018 470 R CB 0.531 30.812 30.300 -0.031 0.000 0.962 470 R HN 0.391 nan 8.270 nan 0.000 0.428 471 V N -0.674 119.218 119.914 -0.036 0.000 3.130 471 V HA 0.537 4.656 4.120 -0.003 0.000 0.310 471 V C -0.831 175.245 176.094 -0.029 0.000 1.158 471 V CA -1.207 61.080 62.300 -0.023 0.000 1.029 471 V CB 2.248 34.061 31.823 -0.016 0.000 1.057 471 V HN 0.664 nan 8.190 nan 0.000 0.436 472 K N 2.033 122.412 120.400 -0.034 0.000 2.240 472 K HA 0.526 4.845 4.320 -0.003 0.000 0.271 472 K C -1.034 175.496 176.600 -0.115 0.000 1.018 472 K CA -0.699 55.513 56.287 -0.124 0.000 0.874 472 K CB 1.128 33.542 32.500 -0.143 0.000 1.098 472 K HN 0.878 nan 8.250 nan 0.000 0.458 473 Y N 2.883 123.023 120.300 -0.266 0.000 2.299 473 Y HA 0.557 5.106 4.550 -0.001 0.000 0.326 473 Y C -0.700 175.017 175.900 -0.305 0.000 1.164 473 Y CA -0.989 56.803 58.100 -0.513 0.000 1.234 473 Y CB 0.507 38.432 38.460 -0.892 0.000 1.219 473 Y HN 0.292 nan 8.280 nan 0.000 0.497 474 I N 4.483 124.957 120.570 -0.161 0.000 2.468 474 I HA 0.337 4.506 4.170 -0.003 0.000 0.285 474 I C -0.510 175.642 176.117 0.059 0.000 1.039 474 I CA -1.024 60.235 61.300 -0.068 0.000 1.074 474 I CB 1.622 39.559 38.000 -0.106 0.000 1.228 474 I HN 0.546 nan 8.210 nan 0.000 0.436 475 R N 4.602 125.173 120.500 0.119 0.000 2.449 475 R HA 0.178 4.517 4.340 -0.003 0.000 0.296 475 R C 0.918 177.158 176.300 -0.100 0.000 1.047 475 R CA 0.475 56.536 56.100 -0.066 0.000 1.018 475 R CB 0.366 30.657 30.300 -0.016 0.000 0.962 475 R HN 0.487 nan 8.270 nan 0.000 0.428 476 R N 2.827 123.235 120.500 -0.153 0.000 2.115 476 R HA -0.037 4.302 4.340 -0.003 0.000 0.230 476 R C 0.172 176.440 176.300 -0.054 0.000 1.111 476 R CA 0.965 57.019 56.100 -0.077 0.000 0.976 476 R CB -0.204 30.063 30.300 -0.055 0.000 0.870 476 R HN 0.685 nan 8.270 nan 0.000 0.445 477 K N 0.000 120.361 120.400 -0.065 0.000 2.780 477 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 477 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 477 K CB 0.000 32.480 32.500 -0.034 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543