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 1as2_1_A DATA FIRST_RESID 32 DATA SEQUENCE REVKLLLLGA VESGKSTIVK QMKIIHEAGY SEEECKQYKA VVYSNTIQSI DATA SEQUENCE IAIIRAMGRL KIDFGDAARA DDARQLFVLA GAAEEGFMTA ELAGVIKRLW DATA SEQUENCE KDSGVQACFN RSREYQLNDS AAYYLNDLDR IAQPNYIPTQ QDVLRTRVKT DATA SEQUENCE TGIVETHFTF KDLHFKMFDV GGQRSERKKW IHCFEGVTAI IFCVALSDYD DATA SEQUENCE LVLAEDEEMN RMHESMKLFD SICNNKWFTD TSIILFLNKK DLFEEKIKKS DATA SEQUENCE PLTICYPEYA GSNTYEEAAA YIQCQFEDLN KRKDTKEIYT HFTCATDTKN DATA SEQUENCE VQFVFDAVTD VIIKN 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 32 R HA 0.000 nan 4.340 nan 0.000 0.208 32 R C 0.000 176.242 176.300 -0.097 0.000 0.893 32 R CA 0.000 56.055 56.100 -0.075 0.000 0.921 32 R CB 0.000 30.245 30.300 -0.092 0.000 0.687 33 E N 1.962 122.120 120.200 -0.070 0.000 2.134 33 E HA 0.462 4.811 4.350 -0.000 0.000 0.278 33 E C -0.930 175.600 176.600 -0.117 0.000 0.959 33 E CA -0.668 55.701 56.400 -0.053 0.000 0.783 33 E CB 1.546 31.274 29.700 0.047 0.000 1.095 33 E HN 0.278 nan 8.360 nan 0.000 0.399 34 V N 5.500 125.249 119.914 -0.275 0.000 2.370 34 V HA 0.260 4.380 4.120 -0.000 0.000 0.279 34 V C -0.077 176.001 176.094 -0.026 0.000 1.029 34 V CA -0.656 61.499 62.300 -0.242 0.000 0.870 34 V CB 1.405 32.875 31.823 -0.589 0.000 0.984 34 V HN 0.646 nan 8.190 nan 0.000 0.451 35 K N 5.516 125.973 120.400 0.096 0.000 2.227 35 K HA 0.652 4.972 4.320 -0.000 0.000 0.280 35 K C -1.117 175.627 176.600 0.239 0.000 1.041 35 K CA -0.369 56.058 56.287 0.234 0.000 0.905 35 K CB 1.255 33.914 32.500 0.264 0.000 1.068 35 K HN 0.508 nan 8.250 nan 0.000 0.470 36 L N 4.401 125.806 121.223 0.304 0.000 2.381 36 L HA 0.427 4.767 4.340 -0.000 0.000 0.274 36 L C -1.106 175.898 176.870 0.223 0.000 0.988 36 L CA -1.155 53.824 54.840 0.232 0.000 0.824 36 L CB 1.521 43.736 42.059 0.260 0.000 1.263 36 L HN 0.375 nan 8.230 nan 0.000 0.410 37 L N 4.691 125.946 121.223 0.053 0.000 2.294 37 L HA 0.486 4.826 4.340 -0.000 0.000 0.283 37 L C -0.762 176.055 176.870 -0.088 0.000 1.015 37 L CA -0.048 54.743 54.840 -0.082 0.000 0.831 37 L CB 1.264 43.125 42.059 -0.330 0.000 1.217 37 L HN 0.448 nan 8.230 nan 0.000 0.420 38 L N 6.322 127.513 121.223 -0.054 0.000 2.313 38 L HA 0.412 4.751 4.340 -0.000 0.000 0.282 38 L C -0.419 176.379 176.870 -0.121 0.000 1.092 38 L CA 0.036 54.823 54.840 -0.089 0.000 0.831 38 L CB 0.738 42.764 42.059 -0.055 0.000 1.159 38 L HN 0.582 nan 8.230 nan 0.000 0.442 39 L N 2.710 123.830 121.223 -0.171 0.000 2.279 39 L HA 0.972 5.312 4.340 -0.000 0.000 0.262 39 L C 0.166 176.728 176.870 -0.514 0.000 1.019 39 L CA -0.747 53.969 54.840 -0.208 0.000 0.823 39 L CB 2.182 44.223 42.059 -0.029 0.000 1.358 39 L HN 0.706 nan 8.230 nan 0.000 0.432 40 G N -0.059 108.436 108.800 -0.507 0.000 2.333 40 G HA2 0.398 4.358 3.960 -0.000 0.000 0.330 40 G HA3 0.398 4.358 3.960 -0.000 0.000 0.330 40 G C -1.165 173.590 174.900 -0.241 0.000 1.465 40 G CA -0.301 44.402 45.100 -0.662 0.000 0.996 40 G HN 0.830 nan 8.290 nan 0.000 0.655 41 A N -0.542 122.192 122.820 -0.143 0.000 2.364 41 A HA 0.632 4.952 4.320 -0.000 0.000 0.258 41 A C 1.014 178.575 177.584 -0.039 0.000 1.131 41 A CA 0.480 52.504 52.037 -0.022 0.000 0.800 41 A CB 0.005 19.030 19.000 0.041 0.000 1.086 41 A HN 1.840 nan 8.150 nan 0.000 0.508 42 V N 0.678 120.587 119.914 -0.008 0.000 2.686 42 V HA 0.210 4.330 4.120 -0.000 0.000 0.295 42 V C 0.661 176.748 176.094 -0.012 0.000 1.055 42 V CA 0.682 62.976 62.300 -0.010 0.000 1.050 42 V CB 0.289 32.114 31.823 0.003 0.000 0.984 42 V HN 1.028 nan 8.190 nan 0.000 0.482 43 E N 1.648 121.838 120.200 -0.016 0.000 2.791 43 E HA -0.229 4.121 4.350 -0.000 0.000 0.271 43 E C 1.325 177.911 176.600 -0.023 0.000 1.044 43 E CA 0.679 57.069 56.400 -0.016 0.000 0.814 43 E CB -1.398 28.298 29.700 -0.007 0.000 1.400 43 E HN 0.981 nan 8.360 nan 0.000 0.423 44 S N -1.472 114.205 115.700 -0.039 0.000 2.478 44 S HA 0.269 4.739 4.470 -0.000 0.000 0.222 44 S C 1.569 176.146 174.600 -0.040 0.000 1.008 44 S CA 0.497 58.669 58.200 -0.047 0.000 0.928 44 S CB 1.072 64.216 63.200 -0.093 0.000 0.781 44 S HN 0.841 nan 8.310 nan 0.000 0.518 45 G N 1.151 109.927 108.800 -0.040 0.000 2.173 45 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.142 45 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.142 45 G C 0.654 175.538 174.900 -0.026 0.000 1.019 45 G CA 0.070 45.151 45.100 -0.032 0.000 0.699 45 G HN 0.380 nan 8.290 nan 0.000 0.495 46 K N 1.093 121.471 120.400 -0.037 0.000 2.020 46 K HA -0.133 4.187 4.320 -0.000 0.000 0.212 46 K C 2.763 179.350 176.600 -0.022 0.000 1.050 46 K CA 2.061 58.329 56.287 -0.033 0.000 0.929 46 K CB -0.314 32.157 32.500 -0.049 0.000 0.714 46 K HN 0.504 nan 8.250 nan 0.000 0.443 47 S N 0.541 116.230 115.700 -0.019 0.000 2.423 47 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 47 S C 2.008 176.589 174.600 -0.031 0.000 1.014 47 S CA 1.462 59.656 58.200 -0.010 0.000 0.965 47 S CB -0.475 62.730 63.200 0.007 0.000 0.785 47 S HN 0.199 nan 8.310 nan 0.000 0.495 48 T N 2.776 117.299 114.554 -0.051 0.000 2.777 48 T HA 0.158 4.508 4.350 -0.000 0.000 0.266 48 T C 1.684 176.334 174.700 -0.085 0.000 1.040 48 T CA 1.149 63.199 62.100 -0.083 0.000 1.141 48 T CB -0.404 68.408 68.868 -0.093 0.000 0.868 48 T HN 0.376 nan 8.240 nan 0.000 0.444 49 I N 0.869 121.406 120.570 -0.055 0.000 2.315 49 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 49 I C 2.411 178.458 176.117 -0.117 0.000 1.117 49 I CA 0.748 62.011 61.300 -0.062 0.000 1.404 49 I CB -0.363 37.660 38.000 0.038 0.000 1.071 49 I HN 0.089 nan 8.210 nan 0.000 0.419 50 V N 1.016 120.885 119.914 -0.076 0.000 2.255 50 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 50 V C 2.385 178.427 176.094 -0.087 0.000 1.051 50 V CA 1.908 64.162 62.300 -0.078 0.000 1.018 50 V CB -0.819 30.991 31.823 -0.022 0.000 0.641 50 V HN 0.390 nan 8.190 nan 0.000 0.445 51 K N -0.369 120.011 120.400 -0.033 0.000 2.103 51 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 51 K C 2.277 178.867 176.600 -0.017 0.000 1.048 51 K CA 1.344 57.662 56.287 0.051 0.000 0.930 51 K CB -0.248 32.255 32.500 0.006 0.000 0.716 51 K HN 0.411 nan 8.250 nan 0.000 0.444 52 Q N -0.152 119.565 119.800 -0.138 0.000 2.291 52 Q HA -0.039 4.301 4.340 -0.000 0.000 0.205 52 Q C 2.006 177.780 176.000 -0.377 0.000 0.970 52 Q CA 0.954 56.623 55.803 -0.224 0.000 0.876 52 Q CB 0.053 28.645 28.738 -0.243 0.000 0.935 52 Q HN 0.378 nan 8.270 nan 0.000 0.455 53 M N 0.093 119.429 119.600 -0.440 0.000 2.156 53 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 53 M C 2.071 178.073 176.300 -0.496 0.000 1.067 53 M CA 1.182 56.068 55.300 -0.691 0.000 1.131 53 M CB -0.755 31.365 32.600 -0.799 0.000 1.368 53 M HN 0.094 nan 8.290 nan 0.000 0.416 54 K N 0.978 121.199 120.400 -0.297 0.000 2.002 54 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 54 K C 1.895 178.358 176.600 -0.229 0.000 1.048 54 K CA 1.351 57.496 56.287 -0.237 0.000 0.930 54 K CB -0.139 32.200 32.500 -0.268 0.000 0.714 54 K HN 0.204 nan 8.250 nan 0.000 0.438 55 I N 0.937 121.404 120.570 -0.173 0.000 2.127 55 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 55 I C 2.343 178.342 176.117 -0.196 0.000 1.075 55 I CA 1.430 62.658 61.300 -0.120 0.000 1.334 55 I CB -0.228 37.748 38.000 -0.040 0.000 1.040 55 I HN 0.221 nan 8.210 nan 0.000 0.405 56 I N -0.399 119.967 120.570 -0.340 0.000 2.235 56 I HA -0.254 3.916 4.170 -0.000 0.000 0.241 56 I C 2.079 177.938 176.117 -0.430 0.000 1.085 56 I CA 1.588 62.611 61.300 -0.462 0.000 1.378 56 I CB -0.400 37.123 38.000 -0.796 0.000 1.076 56 I HN 0.223 nan 8.210 nan 0.000 0.415 57 H N -0.596 118.295 119.070 -0.299 0.000 2.575 57 H HA 0.208 4.764 4.556 -0.000 0.000 0.267 57 H C 0.651 175.937 175.328 -0.070 0.000 0.966 57 H CA -0.067 55.865 56.048 -0.193 0.000 1.165 57 H CB 0.570 30.114 29.762 -0.362 0.000 1.433 57 H HN 0.364 nan 8.280 nan 0.000 0.544 58 E N -0.467 119.721 120.200 -0.021 0.000 2.957 58 E HA 0.497 4.847 4.350 -0.000 0.000 0.169 58 E C 1.219 177.796 176.600 -0.038 0.000 0.757 58 E CA -0.145 56.255 56.400 -0.000 0.000 1.082 58 E CB 0.473 30.158 29.700 -0.026 0.000 1.896 58 E HN 0.090 nan 8.360 nan 0.000 0.365 59 A N 0.384 123.167 122.820 -0.062 0.000 1.832 59 A HA 0.315 4.635 4.320 -0.000 0.000 0.214 59 A C 1.080 178.604 177.584 -0.100 0.000 1.200 59 A CA 1.900 53.895 52.037 -0.070 0.000 0.610 59 A CB -1.010 17.943 19.000 -0.079 0.000 0.842 59 A HN 0.689 nan 8.150 nan 0.000 0.444 60 G N -3.446 105.242 108.800 -0.186 0.000 2.462 60 G HA2 0.073 4.033 3.960 -0.000 0.000 0.685 60 G HA3 0.073 4.033 3.960 -0.000 0.000 0.685 60 G C -0.779 173.960 174.900 -0.268 0.000 1.295 60 G CA -0.423 44.565 45.100 -0.187 0.000 0.941 60 G HN 0.574 nan 8.290 nan 0.000 0.554 61 Y N 1.631 121.903 120.300 -0.048 0.000 2.404 61 Y HA 0.508 5.058 4.550 -0.000 0.000 0.344 61 Y C 1.451 177.339 175.900 -0.021 0.000 0.995 61 Y CA 0.237 58.321 58.100 -0.027 0.000 1.201 61 Y CB 1.188 39.621 38.460 -0.043 0.000 1.151 61 Y HN 0.819 nan 8.280 nan 0.000 0.517 62 S N 1.036 116.784 115.700 0.080 0.000 2.603 62 S HA 0.117 4.587 4.470 -0.000 0.000 0.268 62 S C 0.882 175.515 174.600 0.056 0.000 1.317 62 S CA -0.768 57.460 58.200 0.046 0.000 1.012 62 S CB 1.134 64.344 63.200 0.016 0.000 0.926 62 S HN 0.702 nan 8.310 nan 0.000 0.539 63 E N 1.037 121.253 120.200 0.027 0.000 2.171 63 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 63 E C 1.339 177.942 176.600 0.005 0.000 0.997 63 E CA 1.649 58.054 56.400 0.009 0.000 0.810 63 E CB -0.138 29.561 29.700 -0.002 0.000 0.738 63 E HN 0.710 nan 8.360 nan 0.000 0.467 64 E N 0.094 120.302 120.200 0.014 0.000 2.479 64 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 64 E C 1.135 177.751 176.600 0.026 0.000 1.049 64 E CA 0.207 56.612 56.400 0.008 0.000 0.870 64 E CB 0.434 30.136 29.700 0.003 0.000 0.944 64 E HN 0.395 nan 8.360 nan 0.000 0.492 65 E N -0.244 119.995 120.200 0.065 0.000 2.251 65 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 65 E C 1.574 178.303 176.600 0.215 0.000 0.964 65 E CA 0.242 56.720 56.400 0.130 0.000 0.868 65 E CB 0.275 30.071 29.700 0.160 0.000 0.828 65 E HN 0.098 nan 8.360 nan 0.000 0.481 66 C N 0.894 120.288 119.300 0.157 0.000 2.457 66 C HA 0.041 4.501 4.460 -0.000 0.000 0.278 66 C C 2.261 177.279 174.990 0.046 0.000 1.309 66 C CA 0.377 59.468 59.018 0.121 0.000 1.735 66 C CB -0.483 27.264 27.740 0.012 0.000 1.992 66 C HN 0.370 nan 8.230 nan 0.000 0.493 67 K N 0.621 121.009 120.400 -0.019 0.000 2.160 67 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 67 K C 2.000 178.559 176.600 -0.068 0.000 1.047 67 K CA 1.353 57.594 56.287 -0.077 0.000 0.930 67 K CB -0.207 32.260 32.500 -0.055 0.000 0.720 67 K HN 0.623 nan 8.250 nan 0.000 0.450 68 Q N -0.936 118.836 119.800 -0.047 0.000 2.437 68 Q HA -0.138 4.202 4.340 -0.000 0.000 0.210 68 Q C 0.682 176.514 176.000 -0.280 0.000 0.972 68 Q CA 1.069 56.776 55.803 -0.160 0.000 0.903 68 Q CB 0.142 28.752 28.738 -0.213 0.000 0.967 68 Q HN 0.438 nan 8.270 nan 0.000 0.486 69 Y N -0.630 119.606 120.300 -0.106 0.000 2.458 69 Y HA 0.105 4.655 4.550 -0.000 0.000 0.256 69 Y C 1.893 177.667 175.900 -0.209 0.000 1.159 69 Y CA -0.127 57.896 58.100 -0.128 0.000 1.261 69 Y CB 0.378 38.764 38.460 -0.123 0.000 1.119 69 Y HN -0.064 nan 8.280 nan 0.000 0.524 70 K N 1.016 121.328 120.400 -0.145 0.000 2.089 70 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 70 K C 2.172 178.482 176.600 -0.484 0.000 1.048 70 K CA 1.612 57.684 56.287 -0.358 0.000 0.926 70 K CB -0.153 32.185 32.500 -0.269 0.000 0.714 70 K HN 0.318 nan 8.250 nan 0.000 0.448 71 A N 0.395 123.099 122.820 -0.193 0.000 1.873 71 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 71 A C 2.235 179.791 177.584 -0.046 0.000 1.186 71 A CA 1.490 53.499 52.037 -0.047 0.000 0.616 71 A CB -0.579 18.430 19.000 0.016 0.000 0.823 71 A HN 0.170 nan 8.150 nan 0.000 0.442 72 V N -0.078 119.809 119.914 -0.046 0.000 2.392 72 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 72 V C 2.564 178.610 176.094 -0.080 0.000 1.059 72 V CA 2.030 64.331 62.300 0.001 0.000 1.051 72 V CB -0.829 31.067 31.823 0.121 0.000 0.658 72 V HN 0.373 nan 8.190 nan 0.000 0.455 73 V N -1.185 118.615 119.914 -0.191 0.000 2.343 73 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 73 V C 2.257 178.128 176.094 -0.371 0.000 1.051 73 V CA 1.957 63.987 62.300 -0.449 0.000 1.036 73 V CB -0.787 30.813 31.823 -0.371 0.000 0.654 73 V HN 0.478 nan 8.190 nan 0.000 0.451 74 Y N 0.215 120.403 120.300 -0.186 0.000 2.163 74 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 74 Y C 2.988 178.773 175.900 -0.191 0.000 1.136 74 Y CA 1.200 59.178 58.100 -0.204 0.000 1.147 74 Y CB -1.271 37.103 38.460 -0.144 0.000 0.987 74 Y HN 0.203 nan 8.280 nan 0.000 0.509 75 S N -0.019 115.714 115.700 0.055 0.000 2.359 75 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 75 S C 2.036 176.628 174.600 -0.014 0.000 1.035 75 S CA 1.539 59.752 58.200 0.022 0.000 1.018 75 S CB -0.508 62.716 63.200 0.040 0.000 0.876 75 S HN 0.546 nan 8.310 nan 0.000 0.448 76 N N -0.292 118.379 118.700 -0.047 0.000 2.061 76 N HA -0.122 4.618 4.740 -0.000 0.000 0.193 76 N C 1.670 177.162 175.510 -0.030 0.000 1.030 76 N CA 1.958 54.994 53.050 -0.023 0.000 0.856 76 N CB -0.350 38.109 38.487 -0.047 0.000 1.023 76 N HN 0.455 nan 8.380 nan 0.000 0.424 77 T N 1.714 116.191 114.554 -0.127 0.000 2.746 77 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 77 T C 2.064 176.699 174.700 -0.107 0.000 1.039 77 T CA 0.728 62.761 62.100 -0.113 0.000 1.142 77 T CB -0.159 68.607 68.868 -0.170 0.000 0.866 77 T HN 0.204 nan 8.240 nan 0.000 0.444 78 I N 1.178 121.684 120.570 -0.107 0.000 2.179 78 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 78 I C 2.808 178.889 176.117 -0.060 0.000 1.088 78 I CA 1.447 62.680 61.300 -0.112 0.000 1.357 78 I CB -0.458 37.470 38.000 -0.120 0.000 1.051 78 I HN 0.316 nan 8.210 nan 0.000 0.409 79 Q N 0.161 119.951 119.800 -0.017 0.000 2.124 79 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 79 Q C 2.407 178.430 176.000 0.037 0.000 0.977 79 Q CA 1.754 57.571 55.803 0.023 0.000 0.850 79 Q CB -0.155 28.610 28.738 0.045 0.000 0.901 79 Q HN 0.421 nan 8.270 nan 0.000 0.429 80 S N 0.998 116.715 115.700 0.028 0.000 2.353 80 S HA -0.173 4.297 4.470 -0.000 0.000 0.222 80 S C 1.922 176.550 174.600 0.047 0.000 1.035 80 S CA 1.227 59.458 58.200 0.051 0.000 1.025 80 S CB -0.291 62.919 63.200 0.017 0.000 0.902 80 S HN 0.288 nan 8.310 nan 0.000 0.440 81 I N 2.149 122.704 120.570 -0.025 0.000 2.226 81 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 81 I C 1.824 177.942 176.117 0.001 0.000 1.100 81 I CA 1.223 62.516 61.300 -0.012 0.000 1.374 81 I CB -0.328 37.628 38.000 -0.074 0.000 1.057 81 I HN 0.266 nan 8.210 nan 0.000 0.413 82 I N 0.495 121.045 120.570 -0.033 0.000 2.226 82 I HA -0.296 3.873 4.170 -0.000 0.000 0.245 82 I C 2.614 178.773 176.117 0.069 0.000 1.100 82 I CA 1.319 62.605 61.300 -0.023 0.000 1.374 82 I CB -1.070 36.940 38.000 0.017 0.000 1.057 82 I HN 0.299 nan 8.210 nan 0.000 0.413 83 A N 1.481 124.345 122.820 0.072 0.000 1.877 83 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 83 A C 2.313 179.854 177.584 -0.071 0.000 1.186 83 A CA 1.506 53.580 52.037 0.061 0.000 0.620 83 A CB -0.759 18.330 19.000 0.148 0.000 0.822 83 A HN 0.358 nan 8.150 nan 0.000 0.443 84 I N -0.116 120.461 120.570 0.012 0.000 2.142 84 I HA -0.236 3.933 4.170 -0.000 0.000 0.240 84 I C 2.228 178.292 176.117 -0.088 0.000 1.078 84 I CA 0.985 62.261 61.300 -0.041 0.000 1.343 84 I CB -0.350 37.791 38.000 0.235 0.000 1.046 84 I HN 0.230 nan 8.210 nan 0.000 0.405 85 I N 0.677 121.261 120.570 0.023 0.000 2.208 85 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 85 I C 2.653 178.800 176.117 0.051 0.000 1.097 85 I CA 1.642 62.981 61.300 0.065 0.000 1.363 85 I CB -1.276 36.808 38.000 0.141 0.000 1.051 85 I HN 0.290 nan 8.210 nan 0.000 0.413 86 R N 0.337 120.876 120.500 0.065 0.000 2.115 86 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 86 R C 2.240 178.482 176.300 -0.096 0.000 1.111 86 R CA 1.309 57.434 56.100 0.040 0.000 0.976 86 R CB -0.215 30.128 30.300 0.071 0.000 0.870 86 R HN 0.358 nan 8.270 nan 0.000 0.445 87 A N 0.923 123.589 122.820 -0.256 0.000 1.929 87 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 87 A C 2.177 179.616 177.584 -0.241 0.000 1.176 87 A CA 0.836 52.641 52.037 -0.387 0.000 0.628 87 A CB -0.325 18.038 19.000 -1.061 0.000 0.816 87 A HN 0.152 nan 8.150 nan 0.000 0.444 88 M N -0.451 119.019 119.600 -0.217 0.000 2.089 88 M HA -0.222 4.258 4.480 -0.000 0.000 0.257 88 M C 2.276 178.491 176.300 -0.140 0.000 1.071 88 M CA 1.762 56.950 55.300 -0.187 0.000 1.096 88 M CB -0.738 31.695 32.600 -0.278 0.000 1.330 88 M HN 0.551 nan 8.290 nan 0.000 0.403 89 G N -0.514 108.221 108.800 -0.109 0.000 2.433 89 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 89 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 89 G C 1.524 176.391 174.900 -0.056 0.000 1.186 89 G CA 0.889 45.949 45.100 -0.067 0.000 0.779 89 G HN 0.400 nan 8.290 nan 0.000 0.543 90 R N -0.126 120.339 120.500 -0.059 0.000 2.117 90 R HA 0.011 4.351 4.340 -0.000 0.000 0.243 90 R C 2.152 178.433 176.300 -0.031 0.000 1.143 90 R CA 1.148 57.224 56.100 -0.040 0.000 0.968 90 R CB -0.276 29.998 30.300 -0.042 0.000 0.863 90 R HN 0.406 nan 8.270 nan 0.000 0.444 91 L N 0.732 121.928 121.223 -0.044 0.000 2.607 91 L HA 0.109 4.449 4.340 -0.000 0.000 0.228 91 L C -0.080 176.771 176.870 -0.032 0.000 1.123 91 L CA -0.078 54.748 54.840 -0.024 0.000 0.890 91 L CB 0.293 42.347 42.059 -0.009 0.000 1.103 91 L HN 0.072 nan 8.230 nan 0.000 0.468 92 K N 1.162 121.535 120.400 -0.045 0.000 3.393 92 K HA -0.141 4.179 4.320 -0.000 0.000 0.272 92 K C -0.597 175.970 176.600 -0.054 0.000 1.004 92 K CA 0.804 57.066 56.287 -0.043 0.000 0.764 92 K CB -2.041 30.444 32.500 -0.025 0.000 1.373 92 K HN 0.323 nan 8.250 nan 0.000 0.458 93 I N 0.703 121.220 120.570 -0.088 0.000 2.530 93 I HA 0.268 4.438 4.170 -0.000 0.000 0.297 93 I C 0.348 176.368 176.117 -0.162 0.000 1.011 93 I CA -0.825 60.414 61.300 -0.103 0.000 1.107 93 I CB 1.746 39.683 38.000 -0.105 0.000 1.285 93 I HN -0.018 nan 8.210 nan 0.000 0.436 94 D N 4.000 124.326 120.400 -0.125 0.000 2.198 94 D HA 0.392 5.032 4.640 -0.000 0.000 0.247 94 D C -0.399 175.828 176.300 -0.122 0.000 1.010 94 D CA -0.253 53.676 54.000 -0.118 0.000 0.880 94 D CB 1.424 42.219 40.800 -0.008 0.000 1.209 94 D HN 0.029 nan 8.370 nan 0.000 0.451 95 F N 0.318 120.276 119.950 0.013 0.000 2.539 95 F HA 0.205 4.732 4.527 -0.000 0.000 0.340 95 F C 1.995 177.797 175.800 0.002 0.000 1.185 95 F CA 0.213 58.219 58.000 0.010 0.000 1.333 95 F CB 0.486 39.493 39.000 0.013 0.000 1.152 95 F HN 0.436 nan 8.300 nan 0.000 0.602 96 G N -0.261 108.659 108.800 0.200 0.000 2.408 96 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.215 96 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.215 96 G C -0.209 174.746 174.900 0.091 0.000 1.156 96 G CA 0.552 45.712 45.100 0.100 0.000 0.793 96 G HN 0.524 nan 8.290 nan 0.000 0.535 97 D N -0.981 119.483 120.400 0.105 0.000 2.505 97 D HA 0.570 5.210 4.640 -0.000 0.000 0.249 97 D C 0.998 177.319 176.300 0.035 0.000 1.082 97 D CA -0.268 53.761 54.000 0.047 0.000 0.839 97 D CB 1.797 42.602 40.800 0.009 0.000 1.317 97 D HN -0.025 nan 8.370 nan 0.000 0.497 98 A N 3.058 125.891 122.820 0.020 0.000 2.119 98 A HA 0.141 4.461 4.320 -0.000 0.000 0.217 98 A C 1.835 179.364 177.584 -0.092 0.000 1.153 98 A CA 1.359 53.394 52.037 -0.003 0.000 0.692 98 A CB -0.301 18.713 19.000 0.022 0.000 0.799 98 A HN 0.589 nan 8.150 nan 0.000 0.458 99 A N -0.520 122.246 122.820 -0.090 0.000 2.172 99 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 99 A C 2.065 179.533 177.584 -0.193 0.000 1.154 99 A CA 0.732 52.704 52.037 -0.108 0.000 0.701 99 A CB -0.353 18.603 19.000 -0.072 0.000 0.789 99 A HN 0.349 nan 8.150 nan 0.000 0.465 100 R N -0.224 120.091 120.500 -0.309 0.000 2.092 100 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 100 R C 2.353 178.174 176.300 -0.799 0.000 1.119 100 R CA 1.282 57.050 56.100 -0.553 0.000 0.970 100 R CB -1.121 28.720 30.300 -0.764 0.000 0.864 100 R HN 0.510 nan 8.270 nan 0.000 0.440 101 A N 1.481 123.820 122.820 -0.801 0.000 2.032 101 A HA -0.195 4.125 4.320 -0.000 0.000 0.221 101 A C 1.501 178.959 177.584 -0.210 0.000 1.165 101 A CA 1.922 53.675 52.037 -0.473 0.000 0.645 101 A CB -0.331 18.584 19.000 -0.143 0.000 0.807 101 A HN 0.170 nan 8.150 nan 0.000 0.453 102 D N -0.248 120.040 120.400 -0.187 0.000 2.224 102 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 102 D C 1.188 177.434 176.300 -0.090 0.000 0.965 102 D CA 0.979 54.922 54.000 -0.096 0.000 0.852 102 D CB -0.218 40.535 40.800 -0.078 0.000 0.947 102 D HN 0.376 nan 8.370 nan 0.000 0.494 103 D N 0.078 120.388 120.400 -0.149 0.000 2.162 103 D HA 0.019 4.659 4.640 -0.000 0.000 0.203 103 D C 2.005 178.249 176.300 -0.095 0.000 0.967 103 D CA 0.781 54.711 54.000 -0.117 0.000 0.840 103 D CB -0.111 40.607 40.800 -0.137 0.000 0.972 103 D HN 0.085 nan 8.370 nan 0.000 0.482 104 A N 1.093 123.848 122.820 -0.108 0.000 1.902 104 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 104 A C 2.183 179.841 177.584 0.123 0.000 1.181 104 A CA 1.333 53.386 52.037 0.027 0.000 0.623 104 A CB -0.446 18.677 19.000 0.204 0.000 0.818 104 A HN 0.078 nan 8.150 nan 0.000 0.443 105 R N -1.000 119.579 120.500 0.132 0.000 2.092 105 R HA -0.167 4.173 4.340 -0.000 0.000 0.231 105 R C 2.279 178.665 176.300 0.144 0.000 1.119 105 R CA 1.798 58.016 56.100 0.197 0.000 0.970 105 R CB -0.218 30.144 30.300 0.102 0.000 0.864 105 R HN 0.511 nan 8.270 nan 0.000 0.440 106 Q N 0.793 120.621 119.800 0.047 0.000 2.167 106 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 106 Q C 1.914 177.914 176.000 -0.001 0.000 0.970 106 Q CA 1.084 56.900 55.803 0.022 0.000 0.855 106 Q CB -0.302 28.430 28.738 -0.010 0.000 0.911 106 Q HN 0.329 nan 8.270 nan 0.000 0.438 107 L N -0.710 120.464 121.223 -0.081 0.000 2.017 107 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 107 L C 1.634 178.396 176.870 -0.179 0.000 1.073 107 L CA 1.743 56.464 54.840 -0.200 0.000 0.745 107 L CB -0.618 41.211 42.059 -0.383 0.000 0.894 107 L HN 0.196 nan 8.230 nan 0.000 0.432 108 F N -1.384 118.588 119.950 0.036 0.000 2.365 108 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 108 F C 2.300 178.124 175.800 0.039 0.000 1.090 108 F CA 1.023 59.046 58.000 0.038 0.000 1.408 108 F CB -0.885 38.135 39.000 0.034 0.000 1.060 108 F HN -0.095 nan 8.300 nan 0.000 0.534 109 V N -0.074 119.950 119.914 0.184 0.000 2.407 109 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 109 V C 2.275 178.428 176.094 0.098 0.000 1.041 109 V CA 1.386 63.757 62.300 0.119 0.000 1.040 109 V CB -0.475 31.396 31.823 0.080 0.000 0.671 109 V HN 0.278 nan 8.190 nan 0.000 0.455 110 L N -0.144 121.141 121.223 0.104 0.000 2.131 110 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 110 L C 2.637 179.654 176.870 0.245 0.000 1.087 110 L CA 1.347 56.284 54.840 0.162 0.000 0.767 110 L CB -0.738 41.428 42.059 0.178 0.000 0.917 110 L HN 0.344 nan 8.230 nan 0.000 0.441 111 A N 0.426 123.351 122.820 0.175 0.000 1.874 111 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 111 A C 2.165 179.849 177.584 0.166 0.000 1.189 111 A CA 1.192 53.337 52.037 0.180 0.000 0.615 111 A CB -1.045 18.000 19.000 0.076 0.000 0.830 111 A HN 0.376 nan 8.150 nan 0.000 0.443 112 G N -1.248 107.649 108.800 0.163 0.000 3.094 112 G HA2 0.316 4.276 3.960 -0.000 0.000 0.208 112 G HA3 0.316 4.276 3.960 -0.000 0.000 0.208 112 G C 0.874 175.822 174.900 0.081 0.000 1.189 112 G CA 1.036 46.216 45.100 0.134 0.000 0.856 112 G HN 0.732 nan 8.290 nan 0.000 0.510 113 A N -0.059 122.800 122.820 0.064 0.000 1.995 113 A HA 0.781 5.101 4.320 -0.000 0.000 0.200 113 A C 1.556 179.124 177.584 -0.027 0.000 1.566 113 A CA 0.894 52.935 52.037 0.007 0.000 0.895 113 A CB -0.381 18.606 19.000 -0.021 0.000 1.046 113 A HN 0.716 nan 8.150 nan 0.000 0.523 114 A N -0.032 122.762 122.820 -0.042 0.000 2.425 114 A HA 0.449 4.768 4.320 -0.000 0.000 0.242 114 A C 0.607 178.210 177.584 0.031 0.000 1.077 114 A CA 0.512 52.498 52.037 -0.084 0.000 0.781 114 A CB 0.284 19.200 19.000 -0.141 0.000 1.020 114 A HN 0.311 nan 8.150 nan 0.000 0.494 115 E N -0.349 119.864 120.200 0.020 0.000 2.434 115 E HA 0.157 4.507 4.350 -0.000 0.000 0.207 115 E C 0.298 176.943 176.600 0.075 0.000 0.929 115 E CA 0.534 56.961 56.400 0.044 0.000 1.001 115 E CB 0.408 30.120 29.700 0.019 0.000 1.016 115 E HN 0.758 nan 8.360 nan 0.000 0.502 116 E N -1.228 119.032 120.200 0.100 0.000 2.299 116 E HA 0.555 4.905 4.350 -0.000 0.000 0.265 116 E C -0.548 176.200 176.600 0.246 0.000 0.911 116 E CA -0.955 55.525 56.400 0.134 0.000 0.789 116 E CB 1.355 31.115 29.700 0.099 0.000 1.246 116 E HN 0.136 nan 8.360 nan 0.000 0.427 117 G N 2.776 111.699 108.800 0.206 0.000 2.327 117 G HA2 0.286 4.246 3.960 -0.000 0.000 0.278 117 G HA3 0.286 4.246 3.960 -0.000 0.000 0.278 117 G C -0.465 174.640 174.900 0.343 0.000 1.145 117 G CA 0.176 45.414 45.100 0.229 0.000 1.097 117 G HN 0.321 nan 8.290 nan 0.000 0.430 118 F N 1.594 121.566 119.950 0.037 0.000 2.746 118 F HA 0.942 5.469 4.527 -0.000 0.000 0.378 118 F C -0.534 174.950 175.800 -0.527 0.000 1.165 118 F CA -2.640 55.308 58.000 -0.087 0.000 1.089 118 F CB 2.054 41.009 39.000 -0.074 0.000 1.439 118 F HN 0.429 nan 8.300 nan 0.000 0.516 119 M N 1.679 120.848 119.600 -0.717 0.000 2.346 119 M HA 0.479 4.959 4.480 -0.000 0.000 0.287 119 M C -1.463 174.656 176.300 -0.301 0.000 1.100 119 M CA -0.129 54.622 55.300 -0.915 0.000 0.950 119 M CB 1.301 32.998 32.600 -1.505 0.000 1.815 119 M HN 1.129 nan 8.290 nan 0.000 0.497 120 T N 1.222 115.661 114.554 -0.191 0.000 2.864 120 T HA 0.909 5.259 4.350 -0.000 0.000 0.289 120 T C 0.645 175.299 174.700 -0.076 0.000 1.082 120 T CA -0.314 61.766 62.100 -0.033 0.000 1.009 120 T CB 1.384 70.308 68.868 0.093 0.000 1.234 120 T HN 0.892 nan 8.240 nan 0.000 0.526 121 A N -0.286 122.512 122.820 -0.037 0.000 1.968 121 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 121 A C 2.140 179.699 177.584 -0.042 0.000 1.169 121 A CA 1.586 53.598 52.037 -0.042 0.000 0.638 121 A CB -0.965 18.020 19.000 -0.024 0.000 0.812 121 A HN 0.984 nan 8.150 nan 0.000 0.446 122 E N -0.448 119.737 120.200 -0.024 0.000 2.072 122 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 122 E C 1.894 178.471 176.600 -0.039 0.000 0.982 122 E CA 1.190 57.577 56.400 -0.022 0.000 0.803 122 E CB -0.157 29.543 29.700 -0.002 0.000 0.755 122 E HN 0.436 nan 8.360 nan 0.000 0.453 123 L N 0.974 122.167 121.223 -0.050 0.000 2.083 123 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 123 L C 2.255 179.043 176.870 -0.137 0.000 1.083 123 L CA 2.106 56.885 54.840 -0.102 0.000 0.752 123 L CB -0.632 41.317 42.059 -0.184 0.000 0.899 123 L HN 0.153 nan 8.230 nan 0.000 0.433 124 A N -0.680 122.056 122.820 -0.139 0.000 1.972 124 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 124 A C 2.291 179.825 177.584 -0.085 0.000 1.169 124 A CA 1.421 53.379 52.037 -0.132 0.000 0.635 124 A CB -1.406 17.519 19.000 -0.125 0.000 0.810 124 A HN 0.531 nan 8.150 nan 0.000 0.446 125 G N -0.670 108.090 108.800 -0.065 0.000 2.394 125 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.215 125 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.215 125 G C 1.502 176.377 174.900 -0.042 0.000 1.165 125 G CA 1.045 46.117 45.100 -0.045 0.000 0.784 125 G HN 0.271 nan 8.290 nan 0.000 0.535 126 V N 1.443 121.324 119.914 -0.054 0.000 2.233 126 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 126 V C 2.819 178.886 176.094 -0.044 0.000 1.050 126 V CA 1.832 64.099 62.300 -0.055 0.000 1.010 126 V CB -0.478 31.304 31.823 -0.069 0.000 0.637 126 V HN 0.393 nan 8.190 nan 0.000 0.444 127 I N -0.471 120.062 120.570 -0.062 0.000 2.208 127 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 127 I C 2.591 178.726 176.117 0.029 0.000 1.097 127 I CA 1.873 63.146 61.300 -0.045 0.000 1.363 127 I CB -0.480 37.453 38.000 -0.112 0.000 1.051 127 I HN 0.290 nan 8.210 nan 0.000 0.413 128 K N 1.183 121.591 120.400 0.014 0.000 2.002 128 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 128 K C 2.356 179.008 176.600 0.086 0.000 1.048 128 K CA 1.509 57.836 56.287 0.067 0.000 0.930 128 K CB -0.055 32.456 32.500 0.018 0.000 0.714 128 K HN 0.200 nan 8.250 nan 0.000 0.438 129 R N 0.446 120.966 120.500 0.033 0.000 2.105 129 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 129 R C 2.441 178.766 176.300 0.042 0.000 1.135 129 R CA 1.371 57.481 56.100 0.017 0.000 0.967 129 R CB -0.379 29.911 30.300 -0.017 0.000 0.861 129 R HN 0.246 nan 8.270 nan 0.000 0.442 130 L N -0.704 120.563 121.223 0.073 0.000 2.005 130 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 130 L C 2.497 179.490 176.870 0.205 0.000 1.072 130 L CA 1.274 56.195 54.840 0.135 0.000 0.744 130 L CB -0.590 41.548 42.059 0.132 0.000 0.895 130 L HN 0.407 nan 8.230 nan 0.000 0.433 131 W N 1.752 123.039 121.300 -0.021 0.000 2.302 131 W HA -0.338 4.321 4.660 -0.000 0.000 0.320 131 W C 2.524 179.017 176.519 -0.043 0.000 1.241 131 W CA 1.796 59.111 57.345 -0.050 0.000 1.264 131 W CB -0.030 29.380 29.460 -0.084 0.000 1.154 131 W HN 0.118 nan 8.180 nan 0.000 0.483 132 K N 0.745 121.102 120.400 -0.070 0.000 2.360 132 K HA -0.197 4.123 4.320 -0.000 0.000 0.201 132 K C 0.673 177.186 176.600 -0.146 0.000 1.046 132 K CA 1.028 57.203 56.287 -0.185 0.000 0.940 132 K CB -0.578 31.877 32.500 -0.075 0.000 0.748 132 K HN 0.008 nan 8.250 nan 0.000 0.465 133 D N 0.254 120.617 120.400 -0.062 0.000 2.389 133 D HA -0.066 4.574 4.640 -0.000 0.000 0.247 133 D C 0.858 177.137 176.300 -0.036 0.000 1.128 133 D CA 0.224 54.222 54.000 -0.004 0.000 0.884 133 D CB 1.691 42.561 40.800 0.115 0.000 1.194 133 D HN 0.186 nan 8.370 nan 0.000 0.441 134 S N 2.778 118.467 115.700 -0.019 0.000 2.359 134 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 134 S C 1.960 176.555 174.600 -0.009 0.000 1.035 134 S CA 1.733 59.916 58.200 -0.028 0.000 1.018 134 S CB -0.526 62.666 63.200 -0.014 0.000 0.876 134 S HN 0.642 nan 8.310 nan 0.000 0.448 135 G N 0.522 109.333 108.800 0.019 0.000 2.422 135 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.218 135 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.218 135 G C 1.477 176.360 174.900 -0.028 0.000 1.140 135 G CA 0.881 45.971 45.100 -0.017 0.000 0.775 135 G HN 0.495 nan 8.290 nan 0.000 0.545 136 V N 0.351 120.278 119.914 0.021 0.000 2.358 136 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 136 V C 2.964 179.101 176.094 0.072 0.000 1.047 136 V CA 1.656 63.993 62.300 0.061 0.000 1.035 136 V CB -0.251 31.656 31.823 0.141 0.000 0.658 136 V HN 0.271 nan 8.190 nan 0.000 0.452 137 Q N -0.183 119.600 119.800 -0.029 0.000 2.119 137 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 137 Q C 2.413 178.478 176.000 0.108 0.000 0.972 137 Q CA 1.759 57.546 55.803 -0.028 0.000 0.847 137 Q CB -0.676 27.972 28.738 -0.150 0.000 0.903 137 Q HN 0.648 nan 8.270 nan 0.000 0.433 138 A N 0.345 123.196 122.820 0.052 0.000 1.877 138 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 138 A C 2.505 180.138 177.584 0.082 0.000 1.186 138 A CA 1.600 53.666 52.037 0.047 0.000 0.620 138 A CB -1.263 17.744 19.000 0.012 0.000 0.822 138 A HN 0.516 nan 8.150 nan 0.000 0.443 139 C N -1.423 117.934 119.300 0.096 0.000 2.425 139 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 139 C C 2.449 177.617 174.990 0.295 0.000 1.280 139 C CA 1.127 60.231 59.018 0.144 0.000 1.744 139 C CB -1.680 26.094 27.740 0.057 0.000 1.989 139 C HN 0.638 nan 8.230 nan 0.000 0.491 140 F N 2.173 122.235 119.950 0.188 0.000 2.216 140 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 140 F C 1.814 177.695 175.800 0.135 0.000 1.085 140 F CA 2.137 60.283 58.000 0.243 0.000 1.326 140 F CB -0.833 38.306 39.000 0.230 0.000 1.027 140 F HN 0.304 nan 8.300 nan 0.000 0.497 141 N N -0.235 118.397 118.700 -0.112 0.000 2.461 141 N HA 0.038 4.778 4.740 -0.000 0.000 0.188 141 N C 0.505 175.902 175.510 -0.188 0.000 1.134 141 N CA 0.027 52.944 53.050 -0.222 0.000 0.878 141 N CB 0.019 38.481 38.487 -0.043 0.000 0.972 141 N HN 0.252 nan 8.380 nan 0.000 0.456 142 R N -0.251 120.176 120.500 -0.121 0.000 2.652 142 R HA 0.122 4.462 4.340 -0.000 0.000 0.372 142 R C 1.219 177.402 176.300 -0.195 0.000 1.104 142 R CA -0.029 56.019 56.100 -0.087 0.000 1.072 142 R CB 0.458 30.775 30.300 0.029 0.000 1.367 142 R HN 0.158 nan 8.270 nan 0.000 0.577 143 S N 1.191 116.620 115.700 -0.452 0.000 2.440 143 S HA -0.247 4.223 4.470 -0.000 0.000 0.238 143 S C 1.855 175.989 174.600 -0.777 0.000 1.010 143 S CA 0.969 58.587 58.200 -0.971 0.000 0.972 143 S CB -0.212 62.545 63.200 -0.738 0.000 0.774 143 S HN 0.472 nan 8.310 nan 0.000 0.501 144 R N 1.441 121.680 120.500 -0.436 0.000 2.285 144 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 144 R C 1.634 177.793 176.300 -0.234 0.000 1.068 144 R CA 1.335 57.249 56.100 -0.309 0.000 1.004 144 R CB -0.571 29.580 30.300 -0.248 0.000 0.873 144 R HN 0.527 nan 8.270 nan 0.000 0.467 145 E N 0.424 120.495 120.200 -0.214 0.000 2.318 145 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 145 E C -0.196 176.435 176.600 0.051 0.000 0.998 145 E CA 0.505 56.879 56.400 -0.044 0.000 0.859 145 E CB 0.124 29.859 29.700 0.057 0.000 0.812 145 E HN 0.478 nan 8.360 nan 0.000 0.492 146 Y N -1.364 118.916 120.300 -0.034 0.000 2.773 146 Y HA 0.492 5.042 4.550 -0.000 0.000 0.323 146 Y C -0.415 175.478 175.900 -0.012 0.000 1.183 146 Y CA -1.544 56.547 58.100 -0.014 0.000 1.144 146 Y CB 0.493 38.955 38.460 0.003 0.000 1.340 146 Y HN -0.359 nan 8.280 nan 0.000 0.531 147 Q N 1.919 121.828 119.800 0.181 0.000 2.368 147 Q HA 0.444 4.784 4.340 -0.000 0.000 0.256 147 Q C -1.688 174.402 176.000 0.150 0.000 0.980 147 Q CA -0.429 55.423 55.803 0.083 0.000 0.887 147 Q CB 1.919 30.705 28.738 0.081 0.000 1.221 147 Q HN 0.717 nan 8.270 nan 0.000 0.458 148 L N 3.289 124.540 121.223 0.047 0.000 2.410 148 L HA 0.415 4.755 4.340 -0.000 0.000 0.270 148 L C -0.712 176.195 176.870 0.061 0.000 0.983 148 L CA -0.450 54.454 54.840 0.106 0.000 0.822 148 L CB 1.659 43.780 42.059 0.104 0.000 1.285 148 L HN 0.373 nan 8.230 nan 0.000 0.409 149 N N 3.850 122.601 118.700 0.086 0.000 2.365 149 N HA -0.055 4.685 4.740 -0.000 0.000 0.265 149 N C 0.558 176.101 175.510 0.055 0.000 1.288 149 N CA 0.350 53.440 53.050 0.066 0.000 0.869 149 N CB 0.656 39.197 38.487 0.090 0.000 1.071 149 N HN 0.673 nan 8.380 nan 0.000 0.480 150 D N 1.149 121.561 120.400 0.018 0.000 2.191 150 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 150 D C 0.464 176.762 176.300 -0.003 0.000 1.003 150 D CA 1.446 55.447 54.000 0.003 0.000 0.867 150 D CB 0.148 40.931 40.800 -0.030 0.000 0.926 150 D HN 0.399 nan 8.370 nan 0.000 0.450 151 S N 0.103 115.779 115.700 -0.040 0.000 2.671 151 S HA 0.226 4.696 4.470 -0.000 0.000 0.220 151 S C 1.784 176.366 174.600 -0.031 0.000 0.951 151 S CA 0.144 58.263 58.200 -0.134 0.000 0.932 151 S CB 0.553 63.557 63.200 -0.327 0.000 0.777 151 S HN 0.298 nan 8.310 nan 0.000 0.508 152 A N 2.263 125.118 122.820 0.059 0.000 1.873 152 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 152 A C 2.375 179.895 177.584 -0.106 0.000 1.193 152 A CA 1.925 53.989 52.037 0.045 0.000 0.629 152 A CB -1.196 17.875 19.000 0.120 0.000 0.826 152 A HN 0.578 nan 8.150 nan 0.000 0.447 153 A N -1.942 120.857 122.820 -0.034 0.000 1.930 153 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 153 A C 2.138 179.676 177.584 -0.077 0.000 1.175 153 A CA 1.650 53.616 52.037 -0.118 0.000 0.627 153 A CB -0.785 18.305 19.000 0.149 0.000 0.815 153 A HN 0.803 nan 8.150 nan 0.000 0.443 154 Y N -0.777 119.420 120.300 -0.173 0.000 2.114 154 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 154 Y C 2.174 177.961 175.900 -0.189 0.000 1.143 154 Y CA 2.161 60.136 58.100 -0.208 0.000 1.135 154 Y CB -0.479 37.779 38.460 -0.336 0.000 0.980 154 Y HN 0.345 nan 8.280 nan 0.000 0.499 155 Y N 0.149 120.424 120.300 -0.041 0.000 2.242 155 Y HA -0.196 4.354 4.550 -0.000 0.000 0.291 155 Y C 2.378 178.084 175.900 -0.323 0.000 1.137 155 Y CA 1.385 59.377 58.100 -0.180 0.000 1.181 155 Y CB -0.862 37.556 38.460 -0.071 0.000 0.989 155 Y HN 0.166 nan 8.280 nan 0.000 0.527 156 L N -0.357 120.690 121.223 -0.293 0.000 2.141 156 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 156 L C 1.633 178.249 176.870 -0.422 0.000 1.094 156 L CA 1.015 55.472 54.840 -0.638 0.000 0.763 156 L CB -0.397 40.739 42.059 -1.539 0.000 0.908 156 L HN 0.184 nan 8.230 nan 0.000 0.437 157 N N -0.424 118.150 118.700 -0.211 0.000 2.463 157 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 157 N C 0.318 175.765 175.510 -0.105 0.000 1.078 157 N CA 0.794 53.834 53.050 -0.017 0.000 0.902 157 N CB 0.070 38.573 38.487 0.026 0.000 0.970 157 N HN 0.245 nan 8.380 nan 0.000 0.451 158 D N -0.504 119.776 120.400 -0.200 0.000 2.538 158 D HA 0.079 4.719 4.640 -0.000 0.000 0.231 158 D C 1.412 177.596 176.300 -0.193 0.000 1.229 158 D CA -0.298 53.576 54.000 -0.210 0.000 0.828 158 D CB 0.282 40.890 40.800 -0.320 0.000 1.035 158 D HN -0.035 nan 8.370 nan 0.000 0.495 159 L N 0.884 122.006 121.223 -0.169 0.000 2.079 159 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 159 L C 1.290 178.067 176.870 -0.155 0.000 1.081 159 L CA 1.883 56.619 54.840 -0.173 0.000 0.752 159 L CB -0.257 41.710 42.059 -0.153 0.000 0.896 159 L HN -0.062 nan 8.230 nan 0.000 0.433 160 D N -0.763 119.570 120.400 -0.112 0.000 2.158 160 D HA -0.245 4.395 4.640 -0.000 0.000 0.197 160 D C 2.300 178.539 176.300 -0.100 0.000 0.995 160 D CA 1.412 55.360 54.000 -0.087 0.000 0.846 160 D CB -0.037 40.728 40.800 -0.058 0.000 0.941 160 D HN 0.422 nan 8.370 nan 0.000 0.456 161 R N 0.647 121.068 120.500 -0.132 0.000 2.080 161 R HA 0.016 4.356 4.340 -0.000 0.000 0.222 161 R C 2.519 178.656 176.300 -0.273 0.000 1.107 161 R CA 0.581 56.602 56.100 -0.132 0.000 0.980 161 R CB -0.173 30.064 30.300 -0.105 0.000 0.879 161 R HN 0.284 nan 8.270 nan 0.000 0.439 162 I N -1.618 118.653 120.570 -0.498 0.000 2.928 162 I HA 0.164 4.334 4.170 -0.000 0.000 0.266 162 I C 1.791 177.571 176.117 -0.562 0.000 1.234 162 I CA 1.212 61.813 61.300 -1.164 0.000 1.483 162 I CB 0.040 37.467 38.000 -0.956 0.000 1.097 162 I HN 0.073 nan 8.210 nan 0.000 0.455 163 A N 0.364 123.035 122.820 -0.249 0.000 2.123 163 A HA 0.077 4.397 4.320 -0.000 0.000 0.214 163 A C 1.287 178.853 177.584 -0.029 0.000 1.152 163 A CA 0.120 52.083 52.037 -0.123 0.000 0.728 163 A CB -0.348 18.570 19.000 -0.138 0.000 0.814 163 A HN 0.511 nan 8.150 nan 0.000 0.464 164 Q N 0.080 119.883 119.800 0.006 0.000 2.379 164 Q HA -0.043 4.297 4.340 -0.000 0.000 0.320 164 Q C -1.356 174.718 176.000 0.124 0.000 1.153 164 Q CA -0.513 55.333 55.803 0.072 0.000 0.993 164 Q CB 0.050 28.857 28.738 0.114 0.000 1.265 164 Q HN 0.302 nan 8.270 nan 0.000 0.423 165 P HA -0.114 nan 4.420 nan 0.000 0.219 165 P C 0.496 177.866 177.300 0.117 0.000 1.150 165 P CA 1.333 64.487 63.100 0.090 0.000 0.814 165 P CB 0.294 32.027 31.700 0.055 0.000 0.787 166 N N -1.609 117.161 118.700 0.117 0.000 2.204 166 N HA -0.066 4.674 4.740 -0.000 0.000 0.219 166 N C 0.164 175.746 175.510 0.119 0.000 1.151 166 N CA -0.803 52.304 53.050 0.096 0.000 0.867 166 N CB -1.092 37.431 38.487 0.060 0.000 1.043 166 N HN 0.040 nan 8.380 nan 0.000 0.516 167 Y N 2.083 122.415 120.300 0.053 0.000 2.969 167 Y HA 0.065 4.614 4.550 -0.000 0.000 0.339 167 Y C -0.369 175.538 175.900 0.011 0.000 1.272 167 Y CA 0.080 58.203 58.100 0.038 0.000 1.577 167 Y CB 0.231 38.732 38.460 0.067 0.000 1.234 167 Y HN 0.091 nan 8.280 nan 0.000 0.590 168 I N 9.349 129.603 120.570 -0.527 0.000 2.447 168 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 168 I C -2.288 173.383 176.117 -0.743 0.000 1.023 168 I CA -2.376 58.565 61.300 -0.600 0.000 1.083 168 I CB 1.937 39.800 38.000 -0.228 0.000 1.245 168 I HN 0.564 nan 8.210 nan 0.000 0.434 169 P HA 0.054 nan 4.420 nan 0.000 0.265 169 P C -0.119 177.103 177.300 -0.130 0.000 1.193 169 P CA -0.063 62.816 63.100 -0.370 0.000 0.765 169 P CB 0.324 31.887 31.700 -0.229 0.000 0.823 170 T N -0.554 114.001 114.554 0.001 0.000 2.810 170 T HA 0.138 4.488 4.350 -0.000 0.000 0.277 170 T C 1.278 175.939 174.700 -0.065 0.000 0.973 170 T CA -0.420 61.678 62.100 -0.004 0.000 0.949 170 T CB 0.441 69.339 68.868 0.049 0.000 1.075 170 T HN 0.351 nan 8.240 nan 0.000 0.537 171 Q N -0.385 119.372 119.800 -0.072 0.000 2.084 171 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 171 Q C 2.362 178.249 176.000 -0.189 0.000 0.978 171 Q CA 1.719 57.432 55.803 -0.150 0.000 0.844 171 Q CB -0.272 28.417 28.738 -0.081 0.000 0.898 171 Q HN 0.746 nan 8.270 nan 0.000 0.426 172 Q N 1.100 120.842 119.800 -0.097 0.000 2.170 172 Q HA -0.168 4.172 4.340 -0.000 0.000 0.203 172 Q C 1.156 177.095 176.000 -0.103 0.000 0.976 172 Q CA 1.588 57.327 55.803 -0.107 0.000 0.858 172 Q CB -0.003 28.732 28.738 -0.004 0.000 0.907 172 Q HN 0.285 nan 8.270 nan 0.000 0.433 173 D N -1.090 119.338 120.400 0.046 0.000 2.178 173 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 173 D C 1.714 178.013 176.300 -0.001 0.000 0.974 173 D CA 1.015 55.136 54.000 0.202 0.000 0.841 173 D CB 0.095 41.090 40.800 0.325 0.000 0.953 173 D HN 0.179 nan 8.370 nan 0.000 0.478 174 V N 0.785 120.542 119.914 -0.263 0.000 2.407 174 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 174 V C 2.518 178.285 176.094 -0.546 0.000 1.041 174 V CA 0.817 62.745 62.300 -0.619 0.000 1.040 174 V CB -0.309 30.929 31.823 -0.976 0.000 0.671 174 V HN 0.173 nan 8.190 nan 0.000 0.455 175 L N -0.390 120.578 121.223 -0.426 0.000 2.275 175 L HA -0.065 4.275 4.340 -0.000 0.000 0.215 175 L C 2.521 179.216 176.870 -0.290 0.000 1.119 175 L CA 1.101 55.736 54.840 -0.342 0.000 0.790 175 L CB -0.409 41.474 42.059 -0.293 0.000 0.919 175 L HN 0.241 nan 8.230 nan 0.000 0.443 176 R N -0.337 119.982 120.500 -0.301 0.000 2.300 176 R HA 0.066 4.406 4.340 -0.000 0.000 0.199 176 R C 1.047 177.295 176.300 -0.087 0.000 0.920 176 R CA 0.377 56.274 56.100 -0.339 0.000 1.046 176 R CB -0.453 29.399 30.300 -0.747 0.000 0.984 176 R HN 0.407 nan 8.270 nan 0.000 0.493 177 T N 0.029 114.590 114.554 0.012 0.000 2.680 177 T HA 0.181 4.531 4.350 -0.000 0.000 0.314 177 T C 0.262 175.001 174.700 0.065 0.000 1.045 177 T CA -0.508 61.667 62.100 0.124 0.000 1.025 177 T CB 0.981 69.890 68.868 0.069 0.000 1.000 177 T HN -0.008 nan 8.240 nan 0.000 0.535 178 R N 0.295 120.854 120.500 0.097 0.000 2.468 178 R HA 0.581 4.921 4.340 -0.000 0.000 0.302 178 R C -2.030 174.313 176.300 0.072 0.000 1.041 178 R CA -0.700 55.440 56.100 0.066 0.000 0.899 178 R CB 0.758 31.097 30.300 0.066 0.000 1.167 178 R HN 0.610 nan 8.270 nan 0.000 0.483 179 V N 4.764 124.718 119.914 0.067 0.000 2.577 179 V HA 0.436 4.556 4.120 -0.000 0.000 0.303 179 V C -0.330 175.793 176.094 0.048 0.000 1.042 179 V CA -0.967 61.374 62.300 0.068 0.000 0.872 179 V CB 1.977 33.860 31.823 0.101 0.000 0.998 179 V HN 0.635 nan 8.190 nan 0.000 0.423 180 K N 3.061 123.484 120.400 0.038 0.000 2.316 180 K HA 0.331 4.651 4.320 -0.000 0.000 0.289 180 K C 0.077 176.694 176.600 0.029 0.000 1.070 180 K CA -0.286 56.018 56.287 0.028 0.000 0.928 180 K CB 0.634 33.148 32.500 0.024 0.000 1.039 180 K HN 0.846 nan 8.250 nan 0.000 0.480 181 T N 1.839 116.409 114.554 0.026 0.000 2.727 181 T HA 0.055 4.405 4.350 -0.000 0.000 0.295 181 T C 1.281 175.994 174.700 0.022 0.000 0.915 181 T CA -0.708 61.410 62.100 0.030 0.000 1.066 181 T CB 1.057 69.945 68.868 0.034 0.000 0.891 181 T HN 0.665 nan 8.240 nan 0.000 0.516 182 T N 1.166 115.733 114.554 0.022 0.000 2.976 182 T HA 0.251 4.601 4.350 -0.000 0.000 0.257 182 T C 1.370 176.079 174.700 0.015 0.000 1.051 182 T CA 0.199 62.307 62.100 0.012 0.000 1.141 182 T CB -0.347 68.528 68.868 0.012 0.000 0.881 182 T HN 0.730 nan 8.240 nan 0.000 0.461 183 G N 0.979 109.800 108.800 0.034 0.000 2.588 183 G HA2 0.595 4.555 3.960 -0.000 0.000 0.281 183 G HA3 0.595 4.555 3.960 -0.000 0.000 0.281 183 G C -0.478 174.468 174.900 0.077 0.000 1.236 183 G CA -1.057 44.075 45.100 0.054 0.000 0.969 183 G HN 0.487 nan 8.290 nan 0.000 0.504 184 I N 0.577 121.222 120.570 0.126 0.000 2.352 184 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 184 I C -0.106 176.114 176.117 0.173 0.000 1.036 184 I CA -0.371 61.045 61.300 0.193 0.000 1.336 184 I CB 1.241 39.435 38.000 0.323 0.000 1.407 184 I HN -0.086 nan 8.210 nan 0.000 0.497 185 V N 6.557 126.554 119.914 0.138 0.000 2.713 185 V HA 0.443 4.563 4.120 -0.000 0.000 0.307 185 V C 0.021 176.147 176.094 0.054 0.000 1.052 185 V CA -0.563 61.791 62.300 0.090 0.000 0.967 185 V CB 1.728 33.589 31.823 0.063 0.000 1.019 185 V HN 0.754 nan 8.190 nan 0.000 0.459 186 E N 1.120 121.307 120.200 -0.023 0.000 2.429 186 E HA 0.775 5.125 4.350 -0.000 0.000 0.276 186 E C -1.402 175.108 176.600 -0.150 0.000 0.953 186 E CA -0.909 55.366 56.400 -0.208 0.000 0.787 186 E CB 2.633 32.107 29.700 -0.378 0.000 1.307 186 E HN 0.789 nan 8.360 nan 0.000 0.458 187 T N -0.807 113.592 114.554 -0.258 0.000 2.932 187 T HA 0.502 4.852 4.350 -0.000 0.000 0.318 187 T C -1.280 173.284 174.700 -0.228 0.000 1.265 187 T CA -0.977 61.070 62.100 -0.088 0.000 1.036 187 T CB 1.030 69.927 68.868 0.047 0.000 1.209 187 T HN 0.452 nan 8.240 nan 0.000 0.484 188 H N 1.204 120.352 119.070 0.130 0.000 2.547 188 H HA 0.745 5.301 4.556 -0.000 0.000 0.342 188 H C -0.719 174.711 175.328 0.169 0.000 1.048 188 H CA -0.726 55.369 56.048 0.078 0.000 1.204 188 H CB 1.164 31.078 29.762 0.253 0.000 1.493 188 H HN 0.738 nan 8.280 nan 0.000 0.511 189 F N -1.105 118.773 119.950 -0.120 0.000 2.662 189 F HA 0.760 5.287 4.527 -0.000 0.000 0.312 189 F C -0.853 174.887 175.800 -0.100 0.000 1.113 189 F CA -1.016 56.961 58.000 -0.037 0.000 0.951 189 F CB 1.246 40.228 39.000 -0.030 0.000 1.344 189 F HN 0.284 nan 8.300 nan 0.000 0.462 190 T N 2.020 116.710 114.554 0.227 0.000 2.856 190 T HA 0.667 5.017 4.350 -0.000 0.000 0.283 190 T C -2.116 172.799 174.700 0.359 0.000 1.008 190 T CA -0.317 61.910 62.100 0.211 0.000 0.997 190 T CB 1.229 70.250 68.868 0.254 0.000 0.992 190 T HN 0.599 nan 8.240 nan 0.000 0.454 191 F N 3.192 123.243 119.950 0.170 0.000 2.839 191 F HA 0.370 4.897 4.527 -0.000 0.000 0.344 191 F C -0.305 175.623 175.800 0.214 0.000 1.242 191 F CA -1.155 56.948 58.000 0.172 0.000 1.091 191 F CB 0.722 39.771 39.000 0.082 0.000 1.374 191 F HN 0.662 nan 8.300 nan 0.000 0.553 192 K N 5.143 125.330 120.400 -0.354 0.000 3.181 192 K HA -0.197 4.123 4.320 -0.000 0.000 0.269 192 K C -0.185 176.344 176.600 -0.117 0.000 1.097 192 K CA 1.003 57.100 56.287 -0.316 0.000 0.783 192 K CB -1.003 31.219 32.500 -0.463 0.000 1.267 192 K HN 0.876 nan 8.250 nan 0.000 0.484 193 D N -1.093 119.279 120.400 -0.047 0.000 2.955 193 D HA -0.232 4.408 4.640 -0.000 0.000 0.226 193 D C -0.264 176.018 176.300 -0.030 0.000 1.178 193 D CA 1.469 55.458 54.000 -0.019 0.000 0.808 193 D CB -0.518 40.264 40.800 -0.029 0.000 1.099 193 D HN 0.404 nan 8.370 nan 0.000 0.421 194 L N 0.435 121.638 121.223 -0.034 0.000 2.341 194 L HA 0.320 4.660 4.340 -0.000 0.000 0.278 194 L C 0.401 177.188 176.870 -0.139 0.000 1.005 194 L CA -0.686 54.063 54.840 -0.151 0.000 0.818 194 L CB 2.235 44.131 42.059 -0.272 0.000 1.259 194 L HN 0.029 nan 8.230 nan 0.000 0.418 195 H N 3.932 122.835 119.070 -0.277 0.000 2.541 195 H HA 0.376 4.932 4.556 -0.000 0.000 0.316 195 H C -1.316 173.795 175.328 -0.362 0.000 1.043 195 H CA -0.487 55.443 56.048 -0.196 0.000 1.232 195 H CB 0.935 30.649 29.762 -0.080 0.000 1.406 195 H HN 0.299 nan 8.280 nan 0.000 0.469 196 F N 3.166 122.631 119.950 -0.809 0.000 2.399 196 F HA 0.308 4.835 4.527 -0.000 0.000 0.328 196 F C 0.589 175.989 175.800 -0.665 0.000 1.084 196 F CA -0.614 56.957 58.000 -0.715 0.000 1.053 196 F CB 1.190 39.548 39.000 -1.071 0.000 1.209 196 F HN 0.388 nan 8.300 nan 0.000 0.502 197 K N 3.328 123.646 120.400 -0.137 0.000 2.664 197 K HA 0.389 4.709 4.320 -0.000 0.000 0.234 197 K C -1.347 175.164 176.600 -0.148 0.000 0.980 197 K CA -0.447 55.677 56.287 -0.271 0.000 0.996 197 K CB 0.984 33.393 32.500 -0.152 0.000 1.190 197 K HN 0.762 nan 8.250 nan 0.000 0.479 198 M N 4.305 123.811 119.600 -0.156 0.000 2.216 198 M HA 0.396 4.876 4.480 -0.000 0.000 0.356 198 M C -1.440 174.747 176.300 -0.187 0.000 1.205 198 M CA -0.284 55.020 55.300 0.007 0.000 1.122 198 M CB 0.488 33.164 32.600 0.126 0.000 1.571 198 M HN 0.498 nan 8.290 nan 0.000 0.464 199 F N 2.538 122.510 119.950 0.036 0.000 2.493 199 F HA 0.339 4.866 4.527 -0.000 0.000 0.329 199 F C -0.324 175.468 175.800 -0.012 0.000 1.126 199 F CA -0.807 57.217 58.000 0.040 0.000 0.937 199 F CB 1.381 40.411 39.000 0.051 0.000 1.146 199 F HN 0.410 nan 8.300 nan 0.000 0.442 200 D N 2.647 123.154 120.400 0.178 0.000 2.440 200 D HA 0.322 4.962 4.640 -0.000 0.000 0.239 200 D C 0.356 176.726 176.300 0.117 0.000 1.084 200 D CA -0.409 53.646 54.000 0.091 0.000 0.843 200 D CB 1.832 42.662 40.800 0.049 0.000 1.097 200 D HN 0.333 nan 8.370 nan 0.000 0.531 201 V N 1.758 121.718 119.914 0.076 0.000 3.471 201 V HA 0.551 4.671 4.120 -0.000 0.000 0.258 201 V C 1.132 177.231 176.094 0.009 0.000 1.192 201 V CA 0.717 63.068 62.300 0.086 0.000 1.116 201 V CB -0.826 31.068 31.823 0.118 0.000 0.792 201 V HN 0.804 nan 8.190 nan 0.000 0.459 202 G N -0.354 108.442 108.800 -0.007 0.000 2.712 202 G HA2 0.129 4.089 3.960 -0.000 0.000 0.683 202 G HA3 0.129 4.089 3.960 -0.000 0.000 0.683 202 G C 0.549 175.429 174.900 -0.033 0.000 1.320 202 G CA -0.300 44.786 45.100 -0.024 0.000 0.847 202 G HN 1.019 nan 8.290 nan 0.000 0.553 203 G N -0.861 107.921 108.800 -0.029 0.000 2.421 203 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 203 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 203 G C 1.549 176.448 174.900 -0.002 0.000 1.171 203 G CA 1.862 46.953 45.100 -0.015 0.000 0.775 203 G HN 1.029 nan 8.290 nan 0.000 0.543 204 Q N 0.137 119.924 119.800 -0.022 0.000 2.030 204 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 204 Q C 2.668 178.637 176.000 -0.052 0.000 0.986 204 Q CA 1.321 57.105 55.803 -0.032 0.000 0.843 204 Q CB -0.126 28.578 28.738 -0.056 0.000 0.904 204 Q HN 0.430 nan 8.270 nan 0.000 0.420 205 R N -0.295 120.134 120.500 -0.119 0.000 2.235 205 R HA 0.019 4.359 4.340 -0.000 0.000 0.213 205 R C 2.289 178.613 176.300 0.040 0.000 1.059 205 R CA 0.913 56.894 56.100 -0.198 0.000 0.997 205 R CB 0.074 30.079 30.300 -0.490 0.000 0.884 205 R HN 0.165 nan 8.270 nan 0.000 0.462 206 S N 1.078 116.816 115.700 0.064 0.000 2.428 206 S HA -0.083 4.387 4.470 -0.000 0.000 0.230 206 S C 1.492 176.206 174.600 0.190 0.000 1.014 206 S CA 0.996 59.281 58.200 0.141 0.000 0.957 206 S CB 0.076 63.327 63.200 0.086 0.000 0.784 206 S HN 0.411 nan 8.310 nan 0.000 0.499 207 E N 1.167 121.450 120.200 0.138 0.000 2.076 207 E HA 0.021 4.370 4.350 -0.000 0.000 0.190 207 E C 0.349 177.053 176.600 0.173 0.000 0.979 207 E CA 0.224 56.712 56.400 0.146 0.000 0.807 207 E CB -0.036 29.724 29.700 0.101 0.000 0.761 207 E HN 0.367 nan 8.360 nan 0.000 0.454 208 R N 2.396 122.999 120.500 0.172 0.000 2.633 208 R HA -0.051 4.289 4.340 -0.000 0.000 0.357 208 R C 0.941 177.434 176.300 0.321 0.000 0.923 208 R CA 0.193 56.427 56.100 0.224 0.000 1.046 208 R CB 0.039 30.482 30.300 0.238 0.000 0.924 208 R HN 0.142 nan 8.270 nan 0.000 0.413 209 K N 2.069 122.627 120.400 0.264 0.000 2.152 209 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 209 K C 1.435 178.289 176.600 0.423 0.000 1.048 209 K CA 1.173 57.636 56.287 0.294 0.000 0.933 209 K CB 0.130 32.737 32.500 0.179 0.000 0.721 209 K HN 0.324 nan 8.250 nan 0.000 0.447 210 K N 0.224 120.836 120.400 0.353 0.000 2.020 210 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 210 K C 1.801 178.559 176.600 0.264 0.000 1.038 210 K CA 0.862 57.341 56.287 0.320 0.000 0.947 210 K CB -0.852 31.789 32.500 0.234 0.000 0.744 210 K HN 0.217 nan 8.250 nan 0.000 0.442 211 W N 2.352 123.723 121.300 0.118 0.000 2.290 211 W HA -0.295 4.365 4.660 -0.000 0.000 0.328 211 W C 1.931 178.518 176.519 0.114 0.000 1.272 211 W CA 1.784 59.183 57.345 0.090 0.000 1.262 211 W CB -0.599 28.927 29.460 0.110 0.000 1.151 211 W HN 0.041 nan 8.180 nan 0.000 0.473 212 I N 0.695 121.597 120.570 0.554 0.000 2.358 212 I HA -0.409 3.761 4.170 -0.000 0.000 0.257 212 I C 2.389 178.595 176.117 0.149 0.000 1.123 212 I CA 2.410 63.997 61.300 0.479 0.000 1.393 212 I CB -1.195 37.176 38.000 0.619 0.000 1.073 212 I HN 0.210 nan 8.210 nan 0.000 0.437 213 H N 0.368 119.210 119.070 -0.381 0.000 2.426 213 H HA -0.218 4.337 4.556 -0.000 0.000 0.298 213 H C 2.481 177.374 175.328 -0.725 0.000 1.107 213 H CA 1.629 57.045 56.048 -1.054 0.000 1.298 213 H CB -0.695 28.173 29.762 -1.490 0.000 1.377 213 H HN 0.647 nan 8.280 nan 0.000 0.519 214 C N -0.912 117.974 119.300 -0.689 0.000 2.430 214 C HA -0.012 4.448 4.460 -0.000 0.000 0.288 214 C C 1.887 176.426 174.990 -0.751 0.000 1.448 214 C CA 0.012 58.536 59.018 -0.823 0.000 1.784 214 C CB -2.127 24.997 27.740 -1.026 0.000 1.776 214 C HN 0.350 nan 8.230 nan 0.000 0.547 215 F N 1.027 120.770 119.950 -0.344 0.000 2.684 215 F HA 0.281 4.808 4.527 -0.000 0.000 0.298 215 F C 1.988 177.865 175.800 0.128 0.000 1.120 215 F CA 0.097 58.022 58.000 -0.125 0.000 1.332 215 F CB -0.566 38.413 39.000 -0.035 0.000 0.986 215 F HN 0.273 nan 8.300 nan 0.000 0.524 216 E N 0.562 120.805 120.200 0.072 0.000 2.219 216 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 216 E C 2.313 179.032 176.600 0.199 0.000 0.998 216 E CA 1.400 57.843 56.400 0.073 0.000 0.818 216 E CB -0.156 29.478 29.700 -0.110 0.000 0.741 216 E HN 0.469 nan 8.360 nan 0.000 0.477 217 G N 0.469 109.352 108.800 0.138 0.000 3.088 217 G HA2 0.089 4.048 3.960 -0.000 0.000 0.217 217 G HA3 0.089 4.048 3.960 -0.000 0.000 0.217 217 G C 0.364 175.362 174.900 0.165 0.000 1.159 217 G CA 0.264 45.441 45.100 0.127 0.000 0.760 217 G HN 0.210 nan 8.290 nan 0.000 0.550 218 V N -0.363 119.688 119.914 0.229 0.000 2.681 218 V HA 0.063 4.183 4.120 -0.000 0.000 0.306 218 V C 1.457 177.630 176.094 0.132 0.000 1.077 218 V CA 0.845 63.248 62.300 0.173 0.000 1.224 218 V CB -0.092 31.810 31.823 0.132 0.000 0.879 218 V HN 0.144 nan 8.190 nan 0.000 0.494 219 T N 3.454 118.070 114.554 0.103 0.000 2.622 219 T HA 0.157 4.507 4.350 -0.000 0.000 0.266 219 T C 0.806 175.549 174.700 0.072 0.000 1.047 219 T CA 1.938 64.085 62.100 0.078 0.000 1.159 219 T CB -0.110 68.792 68.868 0.056 0.000 0.863 219 T HN 1.417 nan 8.240 nan 0.000 0.422 220 A N -0.171 122.688 122.820 0.065 0.000 2.479 220 A HA 0.774 5.094 4.320 -0.000 0.000 0.296 220 A C -1.339 176.240 177.584 -0.009 0.000 1.121 220 A CA -0.758 51.301 52.037 0.036 0.000 0.743 220 A CB 1.338 20.362 19.000 0.040 0.000 1.323 220 A HN 0.361 nan 8.150 nan 0.000 0.415 221 I N 1.274 121.817 120.570 -0.045 0.000 2.466 221 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 221 I C -1.095 174.988 176.117 -0.057 0.000 1.026 221 I CA -0.267 60.975 61.300 -0.096 0.000 1.078 221 I CB 1.842 39.730 38.000 -0.187 0.000 1.249 221 I HN 0.486 nan 8.210 nan 0.000 0.429 222 I N 6.251 126.757 120.570 -0.107 0.000 2.328 222 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 222 I C -0.791 175.237 176.117 -0.147 0.000 1.012 222 I CA -0.469 60.685 61.300 -0.244 0.000 1.195 222 I CB 1.135 38.862 38.000 -0.455 0.000 1.350 222 I HN 0.387 nan 8.210 nan 0.000 0.464 223 F N 6.980 126.832 119.950 -0.163 0.000 2.405 223 F HA 0.408 4.935 4.527 -0.000 0.000 0.355 223 F C 0.013 175.754 175.800 -0.099 0.000 1.121 223 F CA -0.429 57.544 58.000 -0.045 0.000 1.112 223 F CB 0.602 39.699 39.000 0.163 0.000 1.126 223 F HN 0.368 nan 8.300 nan 0.000 0.481 224 C N 5.860 124.913 119.300 -0.411 0.000 2.350 224 C HA 0.769 5.229 4.460 -0.000 0.000 0.348 224 C C -0.266 174.594 174.990 -0.218 0.000 1.260 224 C CA -0.871 58.030 59.018 -0.195 0.000 1.966 224 C CB 0.623 28.280 27.740 -0.139 0.000 2.380 224 C HN 0.596 nan 8.230 nan 0.000 0.535 225 V N 2.599 122.454 119.914 -0.098 0.000 2.709 225 V HA 0.704 4.824 4.120 -0.000 0.000 0.308 225 V C 0.077 176.124 176.094 -0.077 0.000 1.062 225 V CA -0.405 61.837 62.300 -0.095 0.000 0.901 225 V CB 1.939 33.568 31.823 -0.323 0.000 1.003 225 V HN 1.008 nan 8.190 nan 0.000 0.425 226 A N 4.508 127.319 122.820 -0.015 0.000 2.366 226 A HA 0.578 4.898 4.320 -0.000 0.000 0.322 226 A C 0.884 178.504 177.584 0.059 0.000 1.397 226 A CA -0.339 51.707 52.037 0.015 0.000 0.984 226 A CB 0.098 19.114 19.000 0.027 0.000 1.149 226 A HN 0.912 nan 8.150 nan 0.000 0.540 227 L N 2.253 123.497 121.223 0.035 0.000 2.079 227 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 227 L C 2.669 179.780 176.870 0.403 0.000 1.081 227 L CA 1.869 56.744 54.840 0.058 0.000 0.752 227 L CB -0.344 41.597 42.059 -0.196 0.000 0.896 227 L HN 0.854 nan 8.230 nan 0.000 0.433 228 S N -1.879 114.030 115.700 0.350 0.000 2.547 228 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 228 S C 1.232 175.893 174.600 0.102 0.000 0.980 228 S CA 0.820 59.216 58.200 0.326 0.000 0.941 228 S CB -0.305 63.001 63.200 0.177 0.000 0.763 228 S HN 0.342 nan 8.310 nan 0.000 0.532 229 D N 1.213 121.684 120.400 0.119 0.000 2.355 229 D HA 0.061 4.700 4.640 -0.000 0.000 0.218 229 D C 1.426 177.709 176.300 -0.028 0.000 1.004 229 D CA 0.335 54.341 54.000 0.010 0.000 0.880 229 D CB -0.384 40.444 40.800 0.046 0.000 0.911 229 D HN 0.776 nan 8.370 nan 0.000 0.528 230 Y N 0.994 121.324 120.300 0.050 0.000 2.241 230 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 230 Y C 0.952 176.802 175.900 -0.083 0.000 1.166 230 Y CA 1.376 59.468 58.100 -0.012 0.000 1.203 230 Y CB -0.726 37.794 38.460 0.099 0.000 0.977 230 Y HN -0.085 nan 8.280 nan 0.000 0.529 231 D N 0.178 120.210 120.400 -0.614 0.000 2.463 231 D HA 0.183 4.823 4.640 -0.000 0.000 0.224 231 D C -0.286 175.844 176.300 -0.284 0.000 1.174 231 D CA -0.058 53.695 54.000 -0.410 0.000 0.829 231 D CB -0.586 39.905 40.800 -0.516 0.000 0.993 231 D HN 0.422 nan 8.370 nan 0.000 0.497 232 L N 0.605 121.689 121.223 -0.231 0.000 2.334 232 L HA 0.520 4.860 4.340 -0.000 0.000 0.273 232 L C 0.301 177.097 176.870 -0.122 0.000 1.013 232 L CA -1.544 53.197 54.840 -0.166 0.000 0.816 232 L CB 2.223 44.197 42.059 -0.142 0.000 1.278 232 L HN -0.085 nan 8.230 nan 0.000 0.431 233 V N 0.717 120.575 119.914 -0.093 0.000 2.716 233 V HA 0.432 4.551 4.120 -0.000 0.000 0.304 233 V C -0.195 175.876 176.094 -0.038 0.000 1.053 233 V CA -0.820 61.443 62.300 -0.062 0.000 0.984 233 V CB 1.915 33.711 31.823 -0.044 0.000 1.021 233 V HN 0.639 nan 8.190 nan 0.000 0.467 234 L N 4.489 125.700 121.223 -0.020 0.000 2.295 234 L HA 0.471 4.810 4.340 -0.000 0.000 0.288 234 L C 1.610 178.484 176.870 0.006 0.000 1.079 234 L CA 0.328 55.166 54.840 -0.002 0.000 0.830 234 L CB 0.675 42.741 42.059 0.012 0.000 1.200 234 L HN 1.178 nan 8.230 nan 0.000 0.438 235 A N 4.774 127.599 122.820 0.009 0.000 2.623 235 A HA -0.338 3.982 4.320 -0.000 0.000 0.245 235 A C 1.894 179.491 177.584 0.021 0.000 1.768 235 A CA 2.485 54.533 52.037 0.019 0.000 1.045 235 A CB -1.009 18.007 19.000 0.026 0.000 0.578 235 A HN 0.908 nan 8.150 nan 0.000 0.475 236 E N -0.528 119.686 120.200 0.023 0.000 2.200 236 E HA -0.332 4.018 4.350 -0.000 0.000 0.211 236 E C 1.285 177.897 176.600 0.020 0.000 1.048 236 E CA 1.941 58.355 56.400 0.022 0.000 0.851 236 E CB -0.932 28.782 29.700 0.022 0.000 0.747 236 E HN 0.766 nan 8.360 nan 0.000 0.462 237 D N 0.526 120.938 120.400 0.020 0.000 2.249 237 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 237 D C 1.052 177.361 176.300 0.015 0.000 0.962 237 D CA 1.060 55.071 54.000 0.019 0.000 0.860 237 D CB -0.141 40.672 40.800 0.022 0.000 0.955 237 D HN 0.178 nan 8.370 nan 0.000 0.505 238 E N 0.164 120.371 120.200 0.012 0.000 3.616 238 E HA -0.302 4.048 4.350 -0.000 0.000 0.275 238 E C 0.619 177.219 176.600 0.000 0.000 0.689 238 E CA 1.883 58.287 56.400 0.007 0.000 0.942 238 E CB -0.742 28.966 29.700 0.013 0.000 1.505 238 E HN 0.315 nan 8.360 nan 0.000 0.443 239 E N -1.328 118.875 120.200 0.004 0.000 2.539 239 E HA 0.320 4.670 4.350 -0.000 0.000 0.215 239 E C -0.074 176.527 176.600 0.002 0.000 0.965 239 E CA 0.090 56.491 56.400 0.002 0.000 1.019 239 E CB 0.402 30.109 29.700 0.011 0.000 1.059 239 E HN 0.247 nan 8.360 nan 0.000 0.496 240 M N 2.235 121.839 119.600 0.006 0.000 2.201 240 M HA 0.112 4.592 4.480 -0.000 0.000 0.345 240 M C -0.058 176.232 176.300 -0.016 0.000 1.352 240 M CA -0.142 55.167 55.300 0.014 0.000 1.218 240 M CB 0.333 32.950 32.600 0.029 0.000 1.512 240 M HN 0.038 nan 8.290 nan 0.000 0.447 241 N N 3.042 121.708 118.700 -0.056 0.000 2.412 241 N HA -0.004 4.736 4.740 -0.000 0.000 0.254 241 N C 0.559 176.011 175.510 -0.097 0.000 1.232 241 N CA 0.290 53.241 53.050 -0.166 0.000 0.880 241 N CB 0.829 39.043 38.487 -0.456 0.000 1.076 241 N HN 0.680 nan 8.380 nan 0.000 0.458 242 R N 2.869 123.324 120.500 -0.075 0.000 2.073 242 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 242 R C 2.031 178.370 176.300 0.065 0.000 1.120 242 R CA 1.154 57.258 56.100 0.006 0.000 0.967 242 R CB -0.286 30.017 30.300 0.004 0.000 0.862 242 R HN 0.592 nan 8.270 nan 0.000 0.436 243 M N 0.593 120.213 119.600 0.035 0.000 2.202 243 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 243 M C 1.598 178.053 176.300 0.258 0.000 1.063 243 M CA 1.824 57.226 55.300 0.171 0.000 1.097 243 M CB -0.139 32.547 32.600 0.144 0.000 1.382 243 M HN 0.225 nan 8.290 nan 0.000 0.413 244 H N -1.849 117.259 119.070 0.062 0.000 2.395 244 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 244 H C 1.785 177.157 175.328 0.073 0.000 1.070 244 H CA 0.968 57.041 56.048 0.042 0.000 1.356 244 H CB 0.162 29.932 29.762 0.014 0.000 1.401 244 H HN 0.332 nan 8.280 nan 0.000 0.524 245 E N 0.620 120.948 120.200 0.213 0.000 2.106 245 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 245 E C 2.445 179.179 176.600 0.222 0.000 0.984 245 E CA 0.982 57.485 56.400 0.173 0.000 0.806 245 E CB -0.057 29.720 29.700 0.129 0.000 0.750 245 E HN 0.196 nan 8.360 nan 0.000 0.458 246 S N -0.933 114.937 115.700 0.283 0.000 2.387 246 S HA -0.080 4.390 4.470 -0.000 0.000 0.226 246 S C 2.018 176.914 174.600 0.493 0.000 1.026 246 S CA 1.111 59.572 58.200 0.435 0.000 0.972 246 S CB -0.208 63.268 63.200 0.460 0.000 0.814 246 S HN 0.325 nan 8.310 nan 0.000 0.477 247 M N 0.932 120.703 119.600 0.285 0.000 2.117 247 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 247 M C 2.248 178.578 176.300 0.051 0.000 1.065 247 M CA 1.649 56.906 55.300 -0.070 0.000 1.114 247 M CB -0.185 32.272 32.600 -0.239 0.000 1.361 247 M HN 0.272 nan 8.290 nan 0.000 0.408 248 K N -0.121 120.338 120.400 0.098 0.000 2.097 248 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 248 K C 1.801 178.467 176.600 0.110 0.000 1.049 248 K CA 1.151 57.485 56.287 0.078 0.000 0.933 248 K CB -0.122 32.428 32.500 0.083 0.000 0.717 248 K HN 0.262 nan 8.250 nan 0.000 0.442 249 L N 0.322 121.669 121.223 0.207 0.000 2.131 249 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 249 L C 1.890 178.865 176.870 0.175 0.000 1.087 249 L CA 1.358 56.349 54.840 0.252 0.000 0.767 249 L CB -0.593 41.706 42.059 0.400 0.000 0.917 249 L HN 0.120 nan 8.230 nan 0.000 0.441 250 F N 0.721 120.635 119.950 -0.059 0.000 2.126 250 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 250 F C 2.288 177.965 175.800 -0.206 0.000 1.096 250 F CA 1.996 59.713 58.000 -0.472 0.000 1.255 250 F CB -0.524 38.244 39.000 -0.387 0.000 0.997 250 F HN 0.308 nan 8.300 nan 0.000 0.479 251 D N -0.411 119.903 120.400 -0.143 0.000 2.123 251 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 251 D C 2.183 178.371 176.300 -0.186 0.000 0.992 251 D CA 1.784 55.677 54.000 -0.177 0.000 0.833 251 D CB -0.238 40.520 40.800 -0.070 0.000 0.954 251 D HN 0.325 nan 8.370 nan 0.000 0.455 252 S N -0.375 115.270 115.700 -0.093 0.000 2.353 252 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 252 S C 2.058 176.631 174.600 -0.046 0.000 1.035 252 S CA 0.935 59.109 58.200 -0.042 0.000 1.025 252 S CB -0.245 62.984 63.200 0.048 0.000 0.902 252 S HN 0.230 nan 8.310 nan 0.000 0.440 253 I N 1.218 121.758 120.570 -0.049 0.000 2.133 253 I HA -0.145 4.024 4.170 -0.000 0.000 0.238 253 I C 2.694 178.767 176.117 -0.073 0.000 1.074 253 I CA 0.610 61.933 61.300 0.038 0.000 1.342 253 I CB -0.939 37.068 38.000 0.011 0.000 1.053 253 I HN 0.367 nan 8.210 nan 0.000 0.404 254 C N 1.435 120.478 119.300 -0.428 0.000 2.349 254 C HA -0.236 4.224 4.460 -0.000 0.000 0.274 254 C C 1.775 176.640 174.990 -0.209 0.000 1.178 254 C CA 1.333 60.063 59.018 -0.480 0.000 1.769 254 C CB -1.323 25.864 27.740 -0.923 0.000 2.047 254 C HN 0.490 nan 8.230 nan 0.000 0.448 255 N N 1.728 120.308 118.700 -0.200 0.000 2.994 255 N HA 0.130 4.870 4.740 -0.000 0.000 0.306 255 N C -0.783 174.641 175.510 -0.144 0.000 1.348 255 N CA 0.208 53.173 53.050 -0.142 0.000 1.109 255 N CB -0.436 37.968 38.487 -0.138 0.000 1.415 255 N HN 0.585 nan 8.380 nan 0.000 0.529 256 N N 1.010 119.646 118.700 -0.107 0.000 2.372 256 N HA 0.130 4.870 4.740 -0.000 0.000 0.285 256 N C 0.854 176.197 175.510 -0.279 0.000 1.008 256 N CA -0.315 52.608 53.050 -0.212 0.000 0.880 256 N CB 1.938 40.376 38.487 -0.081 0.000 1.239 256 N HN 0.014 nan 8.380 nan 0.000 0.484 257 K N 2.491 122.600 120.400 -0.485 0.000 2.089 257 K HA -0.103 4.217 4.320 -0.000 0.000 0.210 257 K C 0.957 177.379 176.600 -0.295 0.000 1.048 257 K CA 1.504 57.537 56.287 -0.423 0.000 0.926 257 K CB 0.023 32.178 32.500 -0.576 0.000 0.714 257 K HN 0.610 nan 8.250 nan 0.000 0.448 258 W N -0.500 120.580 121.300 -0.366 0.000 2.721 258 W HA -0.059 4.601 4.660 -0.000 0.000 0.245 258 W C 0.479 176.687 176.519 -0.518 0.000 1.276 258 W CA 0.367 57.416 57.345 -0.494 0.000 1.342 258 W CB -0.384 28.671 29.460 -0.676 0.000 1.135 258 W HN 0.022 nan 8.180 nan 0.000 0.654 259 F N -0.525 119.528 119.950 0.172 0.000 2.764 259 F HA 0.183 4.710 4.527 -0.000 0.000 0.310 259 F C 1.670 177.508 175.800 0.064 0.000 1.124 259 F CA -0.501 57.570 58.000 0.119 0.000 1.252 259 F CB -0.864 38.198 39.000 0.104 0.000 1.010 259 F HN -0.347 nan 8.300 nan 0.000 0.518 260 T N -0.971 113.682 114.554 0.165 0.000 2.821 260 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 260 T C 1.241 176.011 174.700 0.118 0.000 1.046 260 T CA 1.659 63.821 62.100 0.103 0.000 1.139 260 T CB -0.058 68.839 68.868 0.048 0.000 0.871 260 T HN 0.083 nan 8.240 nan 0.000 0.454 261 D N 0.972 121.453 120.400 0.135 0.000 2.340 261 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 261 D C 0.274 176.662 176.300 0.146 0.000 1.039 261 D CA 0.424 54.497 54.000 0.121 0.000 0.866 261 D CB 0.038 40.900 40.800 0.104 0.000 0.913 261 D HN 0.287 nan 8.370 nan 0.000 0.523 262 T N 0.241 114.913 114.554 0.197 0.000 2.795 262 T HA 0.296 4.646 4.350 -0.000 0.000 0.282 262 T C 0.323 175.109 174.700 0.144 0.000 0.980 262 T CA -0.459 61.751 62.100 0.184 0.000 1.012 262 T CB 1.717 70.744 68.868 0.266 0.000 0.936 262 T HN -0.235 nan 8.240 nan 0.000 0.457 263 S N 3.184 118.957 115.700 0.122 0.000 2.549 263 S HA 0.294 4.764 4.470 -0.000 0.000 0.279 263 S C 0.134 174.821 174.600 0.144 0.000 1.321 263 S CA -0.571 57.725 58.200 0.160 0.000 1.054 263 S CB 0.016 63.281 63.200 0.109 0.000 0.899 263 S HN 0.418 nan 8.310 nan 0.000 0.497 264 I N 4.813 125.513 120.570 0.218 0.000 2.354 264 I HA 0.384 4.554 4.170 -0.000 0.000 0.286 264 I C -0.366 175.921 176.117 0.283 0.000 1.007 264 I CA -0.394 61.022 61.300 0.193 0.000 1.167 264 I CB 0.740 38.839 38.000 0.165 0.000 1.320 264 I HN 0.453 nan 8.210 nan 0.000 0.458 265 I N 6.639 127.327 120.570 0.198 0.000 2.359 265 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 265 I C -0.390 175.803 176.117 0.126 0.000 0.987 265 I CA -0.662 60.752 61.300 0.189 0.000 1.225 265 I CB 1.885 39.921 38.000 0.059 0.000 1.366 265 I HN 0.295 nan 8.210 nan 0.000 0.466 266 L N 7.306 128.621 121.223 0.154 0.000 2.298 266 L HA 0.524 4.864 4.340 -0.000 0.000 0.284 266 L C -1.333 175.662 176.870 0.208 0.000 1.013 266 L CA -0.104 54.765 54.840 0.048 0.000 0.824 266 L CB 0.659 42.595 42.059 -0.205 0.000 1.221 266 L HN 0.234 nan 8.230 nan 0.000 0.418 267 F N 6.153 126.059 119.950 -0.073 0.000 2.313 267 F HA 0.364 4.891 4.527 -0.000 0.000 0.369 267 F C 0.137 175.789 175.800 -0.247 0.000 1.109 267 F CA -0.998 56.938 58.000 -0.107 0.000 1.132 267 F CB 0.848 39.818 39.000 -0.050 0.000 1.291 267 F HN 0.265 nan 8.300 nan 0.000 0.496 268 L N 4.284 125.347 121.223 -0.266 0.000 2.395 268 L HA 0.131 4.471 4.340 -0.000 0.000 0.268 268 L C 0.557 177.281 176.870 -0.243 0.000 1.223 268 L CA -0.281 54.284 54.840 -0.459 0.000 1.093 268 L CB -0.519 40.943 42.059 -0.995 0.000 1.349 268 L HN 0.449 nan 8.230 nan 0.000 0.427 269 N N 2.645 121.279 118.700 -0.110 0.000 2.399 269 N HA 0.071 4.811 4.740 -0.000 0.000 0.250 269 N C 0.265 175.771 175.510 -0.007 0.000 1.272 269 N CA 0.066 53.089 53.050 -0.045 0.000 0.928 269 N CB 0.473 38.956 38.487 -0.007 0.000 1.158 269 N HN 0.319 nan 8.380 nan 0.000 0.463 270 K N -0.885 119.522 120.400 0.012 0.000 3.230 270 K HA -0.254 4.066 4.320 -0.000 0.000 0.285 270 K C 0.690 177.373 176.600 0.138 0.000 1.196 270 K CA 0.954 57.274 56.287 0.054 0.000 0.838 270 K CB -1.342 31.195 32.500 0.061 0.000 1.262 270 K HN 0.772 nan 8.250 nan 0.000 0.492 271 K N 0.922 121.413 120.400 0.151 0.000 2.160 271 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 271 K C 1.466 178.199 176.600 0.222 0.000 1.047 271 K CA 2.189 58.644 56.287 0.279 0.000 0.930 271 K CB -0.140 32.538 32.500 0.297 0.000 0.720 271 K HN 0.423 nan 8.250 nan 0.000 0.450 272 D N 1.970 122.429 120.400 0.099 0.000 2.097 272 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 272 D C 2.066 178.410 176.300 0.073 0.000 0.984 272 D CA 1.156 55.179 54.000 0.038 0.000 0.826 272 D CB -0.406 40.386 40.800 -0.013 0.000 0.973 272 D HN 0.413 nan 8.370 nan 0.000 0.460 273 L N -1.025 120.263 121.223 0.107 0.000 2.291 273 L HA 0.036 4.376 4.340 -0.000 0.000 0.214 273 L C 2.518 179.508 176.870 0.199 0.000 1.120 273 L CA 0.303 55.210 54.840 0.112 0.000 0.799 273 L CB -0.493 41.617 42.059 0.085 0.000 0.925 273 L HN -0.079 nan 8.230 nan 0.000 0.446 274 F N 1.261 121.294 119.950 0.140 0.000 2.163 274 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 274 F C 2.417 178.342 175.800 0.207 0.000 1.094 274 F CA 1.409 59.550 58.000 0.235 0.000 1.290 274 F CB -0.059 39.111 39.000 0.283 0.000 1.017 274 F HN 0.034 nan 8.300 nan 0.000 0.483 275 E N 0.358 120.686 120.200 0.213 0.000 2.070 275 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 275 E C 2.038 178.608 176.600 -0.050 0.000 1.004 275 E CA 1.880 58.280 56.400 -0.001 0.000 0.805 275 E CB -0.474 29.117 29.700 -0.181 0.000 0.744 275 E HN 0.724 nan 8.360 nan 0.000 0.451 276 E N 1.250 121.440 120.200 -0.016 0.000 2.107 276 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 276 E C 1.974 178.557 176.600 -0.027 0.000 0.982 276 E CA 0.715 57.106 56.400 -0.016 0.000 0.809 276 E CB -0.119 29.587 29.700 0.010 0.000 0.756 276 E HN 0.050 nan 8.360 nan 0.000 0.459 277 K N 0.247 120.634 120.400 -0.021 0.000 2.057 277 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 277 K C 2.157 178.744 176.600 -0.022 0.000 1.050 277 K CA 0.947 57.227 56.287 -0.011 0.000 0.935 277 K CB -0.186 32.340 32.500 0.044 0.000 0.715 277 K HN 0.078 nan 8.250 nan 0.000 0.439 278 I N 2.684 123.138 120.570 -0.193 0.000 2.335 278 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 278 I C 1.622 177.670 176.117 -0.114 0.000 1.129 278 I CA 1.644 62.773 61.300 -0.286 0.000 1.402 278 I CB -0.152 37.434 38.000 -0.690 0.000 1.069 278 I HN 0.092 nan 8.210 nan 0.000 0.424 279 K N 0.140 120.493 120.400 -0.078 0.000 2.569 279 K HA -0.091 4.229 4.320 -0.000 0.000 0.193 279 K C 1.512 178.102 176.600 -0.017 0.000 1.026 279 K CA 0.770 57.036 56.287 -0.034 0.000 1.093 279 K CB -0.110 32.376 32.500 -0.024 0.000 0.849 279 K HN 0.331 nan 8.250 nan 0.000 0.509 280 K N 0.168 120.561 120.400 -0.012 0.000 2.613 280 K HA 0.057 4.377 4.320 -0.000 0.000 0.209 280 K C -0.906 175.697 176.600 0.005 0.000 1.556 280 K CA -0.061 56.222 56.287 -0.006 0.000 1.017 280 K CB 1.236 33.726 32.500 -0.017 0.000 1.291 280 K HN 0.044 nan 8.250 nan 0.000 0.629 281 S N 2.721 118.443 115.700 0.037 0.000 2.789 281 S HA 0.431 4.901 4.470 -0.000 0.000 0.286 281 S C -2.845 171.860 174.600 0.175 0.000 1.153 281 S CA -1.471 56.775 58.200 0.076 0.000 1.084 281 S CB 1.270 64.487 63.200 0.028 0.000 1.036 281 S HN 0.048 nan 8.310 nan 0.000 0.484 282 P HA 0.085 nan 4.420 nan 0.000 0.269 282 P C 0.902 178.315 177.300 0.188 0.000 1.209 282 P CA -0.516 62.662 63.100 0.131 0.000 0.776 282 P CB 0.618 32.378 31.700 0.101 0.000 0.876 283 L N 3.593 124.866 121.223 0.084 0.000 2.265 283 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 283 L C 2.120 179.079 176.870 0.147 0.000 1.117 283 L CA 2.379 57.221 54.840 0.003 0.000 0.782 283 L CB -1.774 40.110 42.059 -0.291 0.000 0.914 283 L HN 0.474 nan 8.230 nan 0.000 0.441 284 T N -3.381 111.288 114.554 0.192 0.000 2.946 284 T HA -0.190 4.160 4.350 -0.000 0.000 0.271 284 T C 1.952 176.734 174.700 0.136 0.000 1.104 284 T CA 1.539 63.749 62.100 0.183 0.000 1.114 284 T CB -0.739 68.216 68.868 0.144 0.000 0.867 284 T HN 0.410 nan 8.240 nan 0.000 0.513 285 I N 0.065 120.710 120.570 0.126 0.000 2.394 285 I HA -0.084 4.086 4.170 -0.000 0.000 0.251 285 I C 2.817 178.955 176.117 0.035 0.000 1.136 285 I CA 0.722 62.069 61.300 0.077 0.000 1.425 285 I CB -0.291 37.753 38.000 0.073 0.000 1.079 285 I HN 0.450 nan 8.210 nan 0.000 0.425 286 C N -0.276 119.042 119.300 0.031 0.000 2.541 286 C HA 0.022 4.482 4.460 -0.000 0.000 0.284 286 C C 0.683 175.559 174.990 -0.190 0.000 1.341 286 C CA -0.008 58.897 59.018 -0.189 0.000 1.732 286 C CB -0.303 27.264 27.740 -0.288 0.000 2.126 286 C HN 0.352 nan 8.230 nan 0.000 0.505 287 Y N 1.894 122.328 120.300 0.223 0.000 2.805 287 Y HA 0.346 4.896 4.550 0.000 0.000 0.339 287 Y C -1.513 174.483 175.900 0.161 0.000 1.012 287 Y CA -2.678 55.552 58.100 0.217 0.000 1.262 287 Y CB 0.275 38.881 38.460 0.244 0.000 1.100 287 Y HN 0.290 nan 8.280 nan 0.000 0.559 288 P HA -0.228 nan 4.420 nan 0.000 0.221 288 P C 0.972 178.362 177.300 0.150 0.000 1.145 288 P CA 1.542 64.742 63.100 0.166 0.000 0.795 288 P CB 0.488 32.263 31.700 0.125 0.000 0.775 289 E N -0.418 119.893 120.200 0.185 0.000 2.511 289 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 289 E C 0.157 176.815 176.600 0.097 0.000 1.066 289 E CA -0.373 56.108 56.400 0.134 0.000 0.871 289 E CB -1.043 28.748 29.700 0.151 0.000 0.863 289 E HN 0.238 nan 8.360 nan 0.000 0.520 290 Y N 1.331 121.586 120.300 -0.076 0.000 2.544 290 Y HA 0.254 4.804 4.550 -0.000 0.000 0.330 290 Y C 0.958 176.745 175.900 -0.187 0.000 1.136 290 Y CA 0.197 58.103 58.100 -0.323 0.000 1.417 290 Y CB 1.016 39.249 38.460 -0.378 0.000 1.229 290 Y HN 0.042 nan 8.280 nan 0.000 0.532 291 A N 4.622 127.025 122.820 -0.694 0.000 2.358 291 A HA 0.369 4.689 4.320 -0.000 0.000 0.223 291 A C 1.305 178.483 177.584 -0.675 0.000 1.218 291 A CA 0.396 52.118 52.037 -0.525 0.000 0.942 291 A CB -0.612 18.238 19.000 -0.250 0.000 1.005 291 A HN 0.911 nan 8.150 nan 0.000 0.514 292 G N 0.457 108.559 108.800 -1.163 0.000 2.479 292 G HA2 0.376 4.336 3.960 -0.000 0.000 0.275 292 G HA3 0.376 4.336 3.960 -0.000 0.000 0.275 292 G C 0.505 175.086 174.900 -0.533 0.000 1.421 292 G CA 0.563 45.255 45.100 -0.679 0.000 1.059 292 G HN 0.821 nan 8.290 nan 0.000 0.535 293 S N -1.572 114.032 115.700 -0.159 0.000 2.722 293 S HA 0.372 4.842 4.470 -0.000 0.000 0.292 293 S C -0.053 174.631 174.600 0.141 0.000 1.135 293 S CA -0.945 57.233 58.200 -0.035 0.000 1.003 293 S CB 1.632 64.825 63.200 -0.011 0.000 1.067 293 S HN 0.450 nan 8.310 nan 0.000 0.546 294 N N 2.304 121.071 118.700 0.112 0.000 3.322 294 N HA 0.212 4.952 4.740 -0.000 0.000 0.290 294 N C -0.540 175.004 175.510 0.056 0.000 1.297 294 N CA 0.021 53.142 53.050 0.118 0.000 1.167 294 N CB 0.507 39.045 38.487 0.085 0.000 1.434 294 N HN 0.808 nan 8.380 nan 0.000 0.526 295 T N -2.705 111.894 114.554 0.075 0.000 2.932 295 T HA 0.158 4.508 4.350 -0.000 0.000 0.289 295 T C 1.198 175.956 174.700 0.096 0.000 1.039 295 T CA -0.731 61.411 62.100 0.072 0.000 1.024 295 T CB 1.633 70.545 68.868 0.072 0.000 1.090 295 T HN 0.222 nan 8.240 nan 0.000 0.496 296 Y N 1.914 122.221 120.300 0.012 0.000 2.069 296 Y HA -0.228 4.322 4.550 -0.000 0.000 0.278 296 Y C 2.157 178.123 175.900 0.109 0.000 1.175 296 Y CA 2.356 60.505 58.100 0.081 0.000 1.134 296 Y CB -0.576 37.916 38.460 0.054 0.000 0.965 296 Y HN 0.837 nan 8.280 nan 0.000 0.498 297 E N 0.280 120.425 120.200 -0.091 0.000 2.058 297 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 297 E C 2.235 178.766 176.600 -0.116 0.000 0.997 297 E CA 1.937 58.231 56.400 -0.178 0.000 0.801 297 E CB -0.301 29.382 29.700 -0.027 0.000 0.746 297 E HN 0.631 nan 8.360 nan 0.000 0.450 298 E N -0.209 119.994 120.200 0.004 0.000 2.072 298 E HA -0.093 4.256 4.350 -0.000 0.000 0.190 298 E C 2.072 178.752 176.600 0.134 0.000 0.982 298 E CA 0.777 57.232 56.400 0.092 0.000 0.803 298 E CB -0.093 29.697 29.700 0.151 0.000 0.755 298 E HN 0.266 nan 8.360 nan 0.000 0.453 299 A N 1.283 124.162 122.820 0.098 0.000 1.898 299 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 299 A C 2.333 179.962 177.584 0.075 0.000 1.181 299 A CA 1.633 53.684 52.037 0.024 0.000 0.620 299 A CB -0.527 18.508 19.000 0.058 0.000 0.819 299 A HN 0.304 nan 8.150 nan 0.000 0.442 300 A N -0.138 122.686 122.820 0.006 0.000 1.898 300 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 300 A C 2.470 180.046 177.584 -0.014 0.000 1.181 300 A CA 1.932 53.871 52.037 -0.164 0.000 0.620 300 A CB -0.941 17.713 19.000 -0.576 0.000 0.819 300 A HN 1.040 nan 8.150 nan 0.000 0.442 301 A N -1.831 120.959 122.820 -0.051 0.000 1.972 301 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 301 A C 2.095 179.709 177.584 0.051 0.000 1.169 301 A CA 1.571 53.618 52.037 0.017 0.000 0.635 301 A CB -0.713 18.287 19.000 0.000 0.000 0.810 301 A HN 0.662 nan 8.150 nan 0.000 0.446 302 Y N 0.421 120.686 120.300 -0.058 0.000 2.242 302 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 302 Y C 1.980 177.788 175.900 -0.154 0.000 1.137 302 Y CA 1.624 59.658 58.100 -0.111 0.000 1.181 302 Y CB -0.131 38.195 38.460 -0.223 0.000 0.989 302 Y HN 0.286 nan 8.280 nan 0.000 0.527 303 I N -0.224 120.348 120.570 0.003 0.000 2.315 303 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 303 I C 2.501 178.658 176.117 0.066 0.000 1.117 303 I CA 1.582 62.912 61.300 0.050 0.000 1.404 303 I CB -0.514 37.532 38.000 0.078 0.000 1.071 303 I HN 0.286 nan 8.210 nan 0.000 0.419 304 Q N 0.671 120.477 119.800 0.010 0.000 2.030 304 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 304 Q C 2.588 178.563 176.000 -0.042 0.000 0.986 304 Q CA 2.577 58.362 55.803 -0.029 0.000 0.843 304 Q CB -0.156 28.613 28.738 0.053 0.000 0.904 304 Q HN 0.550 nan 8.270 nan 0.000 0.420 305 C N 1.060 120.296 119.300 -0.107 0.000 2.398 305 C HA -0.163 4.296 4.460 -0.000 0.000 0.276 305 C C 2.702 177.558 174.990 -0.222 0.000 1.222 305 C CA 0.880 59.795 59.018 -0.172 0.000 1.746 305 C CB -1.010 26.586 27.740 -0.240 0.000 2.039 305 C HN 0.621 nan 8.230 nan 0.000 0.470 306 Q N -0.512 119.081 119.800 -0.346 0.000 2.181 306 Q HA -0.141 4.199 4.340 -0.000 0.000 0.205 306 Q C 1.900 177.733 176.000 -0.278 0.000 0.980 306 Q CA 1.715 57.289 55.803 -0.381 0.000 0.862 306 Q CB -0.477 27.945 28.738 -0.527 0.000 0.905 306 Q HN 0.755 nan 8.270 nan 0.000 0.429 307 F N 0.866 120.699 119.950 -0.195 0.000 2.179 307 F HA -0.039 4.488 4.527 -0.000 0.000 0.292 307 F C 2.318 178.059 175.800 -0.098 0.000 1.089 307 F CA 0.819 58.697 58.000 -0.204 0.000 1.295 307 F CB -0.038 38.700 39.000 -0.437 0.000 1.041 307 F HN 0.081 nan 8.300 nan 0.000 0.487 308 E N -0.099 120.139 120.200 0.063 0.000 2.153 308 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 308 E C 1.404 178.030 176.600 0.044 0.000 0.988 308 E CA 1.245 57.681 56.400 0.060 0.000 0.811 308 E CB -0.197 29.495 29.700 -0.014 0.000 0.746 308 E HN 0.329 nan 8.360 nan 0.000 0.466 309 D N 0.414 120.803 120.400 -0.019 0.000 2.350 309 D HA -0.069 4.570 4.640 -0.000 0.000 0.216 309 D C 1.629 177.910 176.300 -0.032 0.000 0.968 309 D CA 0.509 54.481 54.000 -0.046 0.000 0.894 309 D CB 0.155 40.897 40.800 -0.097 0.000 0.909 309 D HN 0.214 nan 8.370 nan 0.000 0.520 310 L N 0.178 121.406 121.223 0.008 0.000 2.478 310 L HA -0.033 4.307 4.340 -0.000 0.000 0.223 310 L C 0.928 177.788 176.870 -0.016 0.000 1.140 310 L CA -0.079 54.759 54.840 -0.002 0.000 0.842 310 L CB -0.270 41.818 42.059 0.049 0.000 0.953 310 L HN -0.130 nan 8.230 nan 0.000 0.452 311 N N 1.240 119.949 118.700 0.015 0.000 2.405 311 N HA -0.007 4.733 4.740 -0.000 0.000 0.260 311 N C 0.776 176.262 175.510 -0.040 0.000 1.152 311 N CA 0.392 53.428 53.050 -0.023 0.000 0.948 311 N CB 0.786 39.282 38.487 0.016 0.000 1.111 311 N HN 0.088 nan 8.380 nan 0.000 0.485 312 K N 2.983 123.349 120.400 -0.058 0.000 1.973 312 K HA -0.039 4.281 4.320 -0.000 0.000 0.210 312 K C 0.659 177.232 176.600 -0.044 0.000 1.045 312 K CA 1.131 57.387 56.287 -0.052 0.000 0.937 312 K CB -0.010 32.453 32.500 -0.061 0.000 0.721 312 K HN 0.409 nan 8.250 nan 0.000 0.438 313 R N 2.018 122.492 120.500 -0.045 0.000 3.457 313 R HA 0.009 4.349 4.340 -0.000 0.000 0.218 313 R C 1.134 177.417 176.300 -0.030 0.000 1.833 313 R CA 0.241 56.321 56.100 -0.035 0.000 1.554 313 R CB -0.418 29.863 30.300 -0.031 0.000 1.143 313 R HN 0.158 nan 8.270 nan 0.000 0.557 314 K N 0.764 121.145 120.400 -0.032 0.000 2.362 314 K HA -0.195 4.125 4.320 -0.000 0.000 0.202 314 K C 0.477 177.059 176.600 -0.030 0.000 1.045 314 K CA 1.469 57.737 56.287 -0.032 0.000 0.936 314 K CB 0.179 32.660 32.500 -0.032 0.000 0.747 314 K HN 0.382 nan 8.250 nan 0.000 0.467 315 D N -0.444 119.940 120.400 -0.026 0.000 2.077 315 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 315 D C 1.991 178.280 176.300 -0.017 0.000 0.983 315 D CA 2.114 56.102 54.000 -0.021 0.000 0.841 315 D CB -0.658 40.132 40.800 -0.018 0.000 0.992 315 D HN 0.343 nan 8.370 nan 0.000 0.450 316 T N -0.766 113.780 114.554 -0.014 0.000 2.770 316 T HA -0.054 4.296 4.350 -0.000 0.000 0.263 316 T C 1.188 175.886 174.700 -0.004 0.000 1.039 316 T CA 0.642 62.739 62.100 -0.005 0.000 1.142 316 T CB 0.031 68.898 68.868 -0.002 0.000 0.868 316 T HN -0.126 nan 8.240 nan 0.000 0.435 317 K N 2.142 122.536 120.400 -0.010 0.000 2.201 317 K HA 0.336 4.656 4.320 -0.000 0.000 0.278 317 K C -0.565 176.008 176.600 -0.045 0.000 1.027 317 K CA -0.168 56.113 56.287 -0.009 0.000 0.909 317 K CB 1.316 33.814 32.500 -0.002 0.000 1.062 317 K HN 0.437 nan 8.250 nan 0.000 0.465 318 E N 4.121 124.272 120.200 -0.081 0.000 2.171 318 E HA 0.302 4.652 4.350 -0.000 0.000 0.271 318 E C -0.917 175.481 176.600 -0.337 0.000 0.916 318 E CA -0.639 55.628 56.400 -0.222 0.000 0.774 318 E CB 1.086 30.596 29.700 -0.316 0.000 1.128 318 E HN 0.445 nan 8.360 nan 0.000 0.403 319 I N 4.123 124.518 120.570 -0.293 0.000 2.392 319 I HA 0.216 4.386 4.170 -0.000 0.000 0.295 319 I C -0.977 174.936 176.117 -0.340 0.000 0.985 319 I CA -0.835 60.362 61.300 -0.171 0.000 1.221 319 I CB 0.923 38.945 38.000 0.036 0.000 1.366 319 I HN 0.521 nan 8.210 nan 0.000 0.467 320 Y N 3.756 124.088 120.300 0.053 0.000 2.417 320 Y HA 0.327 4.877 4.550 -0.000 0.000 0.336 320 Y C 0.495 176.387 175.900 -0.015 0.000 0.961 320 Y CA -0.630 57.482 58.100 0.020 0.000 1.215 320 Y CB 1.150 39.667 38.460 0.094 0.000 1.120 320 Y HN 0.404 nan 8.280 nan 0.000 0.499 321 T N 4.093 118.621 114.554 -0.043 0.000 2.875 321 T HA 0.374 4.724 4.350 -0.000 0.000 0.284 321 T C -0.677 173.854 174.700 -0.283 0.000 0.995 321 T CA -0.592 61.438 62.100 -0.118 0.000 1.060 321 T CB 0.345 69.116 68.868 -0.162 0.000 0.967 321 T HN 0.505 nan 8.240 nan 0.000 0.476 322 H N 1.388 120.473 119.070 0.025 0.000 2.856 322 H HA 0.297 4.853 4.556 -0.000 0.000 0.355 322 H C -1.209 174.023 175.328 -0.159 0.000 1.079 322 H CA -0.611 55.459 56.048 0.036 0.000 1.240 322 H CB 1.197 31.000 29.762 0.069 0.000 1.701 322 H HN 0.465 nan 8.280 nan 0.000 0.527 323 F N 2.228 122.210 119.950 0.055 0.000 2.411 323 F HA 0.288 4.815 4.527 -0.000 0.000 0.355 323 F C 1.127 176.888 175.800 -0.066 0.000 1.117 323 F CA -0.213 57.780 58.000 -0.011 0.000 1.139 323 F CB 1.411 40.428 39.000 0.027 0.000 1.120 323 F HN 0.396 nan 8.300 nan 0.000 0.493 324 T N -0.602 113.936 114.554 -0.027 0.000 2.864 324 T HA 0.552 4.901 4.350 -0.000 0.000 0.289 324 T C -1.209 173.445 174.700 -0.077 0.000 1.082 324 T CA -0.930 61.086 62.100 -0.140 0.000 1.009 324 T CB 1.704 70.321 68.868 -0.417 0.000 1.234 324 T HN 0.650 nan 8.240 nan 0.000 0.526 325 C N 1.756 120.987 119.300 -0.115 0.000 3.123 325 C HA 0.760 5.220 4.460 -0.000 0.000 0.284 325 C C 1.758 176.670 174.990 -0.131 0.000 1.076 325 C CA 0.008 58.968 59.018 -0.096 0.000 1.416 325 C CB -1.133 26.555 27.740 -0.086 0.000 1.841 325 C HN 1.135 nan 8.230 nan 0.000 0.501 326 A N 2.815 125.563 122.820 -0.120 0.000 2.032 326 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 326 A C 2.078 179.575 177.584 -0.144 0.000 1.165 326 A CA 2.669 54.634 52.037 -0.121 0.000 0.645 326 A CB -0.545 18.409 19.000 -0.077 0.000 0.807 326 A HN 1.164 nan 8.150 nan 0.000 0.453 327 T N -3.038 111.423 114.554 -0.155 0.000 3.100 327 T HA 0.066 4.416 4.350 -0.000 0.000 0.253 327 T C 0.409 175.003 174.700 -0.176 0.000 1.118 327 T CA 0.516 62.504 62.100 -0.186 0.000 1.058 327 T CB -0.086 68.647 68.868 -0.225 0.000 0.953 327 T HN 0.314 nan 8.240 nan 0.000 0.515 328 D N 1.635 121.938 120.400 -0.162 0.000 2.428 328 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 328 D C 0.865 177.060 176.300 -0.175 0.000 1.123 328 D CA -0.176 53.727 54.000 -0.162 0.000 0.869 328 D CB 1.460 42.166 40.800 -0.156 0.000 1.032 328 D HN 0.039 nan 8.370 nan 0.000 0.506 329 T N 2.961 117.413 114.554 -0.170 0.000 2.803 329 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 329 T C 1.722 176.312 174.700 -0.183 0.000 1.052 329 T CA 1.138 63.132 62.100 -0.177 0.000 1.136 329 T CB 0.216 68.991 68.868 -0.155 0.000 0.864 329 T HN 0.371 nan 8.240 nan 0.000 0.467 330 K N 1.129 121.404 120.400 -0.208 0.000 2.103 330 K HA -0.018 4.301 4.320 -0.000 0.000 0.204 330 K C 2.365 178.733 176.600 -0.387 0.000 1.052 330 K CA 0.959 57.066 56.287 -0.300 0.000 0.945 330 K CB -0.105 32.174 32.500 -0.368 0.000 0.722 330 K HN 0.303 nan 8.250 nan 0.000 0.443 331 N N -0.017 118.502 118.700 -0.301 0.000 2.062 331 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 331 N C 1.668 177.091 175.510 -0.146 0.000 1.042 331 N CA 1.599 54.508 53.050 -0.235 0.000 0.845 331 N CB 0.070 38.443 38.487 -0.190 0.000 1.024 331 N HN -0.016 nan 8.380 nan 0.000 0.424 332 V N 1.541 121.356 119.914 -0.166 0.000 2.380 332 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 332 V C 2.591 178.645 176.094 -0.066 0.000 1.063 332 V CA 1.787 63.998 62.300 -0.149 0.000 1.055 332 V CB -0.776 30.936 31.823 -0.186 0.000 0.657 332 V HN 0.447 nan 8.190 nan 0.000 0.455 333 Q N -0.856 118.907 119.800 -0.063 0.000 2.016 333 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 333 Q C 2.249 178.385 176.000 0.226 0.000 0.978 333 Q CA 1.758 57.570 55.803 0.016 0.000 0.833 333 Q CB -0.118 28.625 28.738 0.008 0.000 0.895 333 Q HN 0.525 nan 8.270 nan 0.000 0.427 334 F N 0.109 120.039 119.950 -0.034 0.000 2.095 334 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 334 F C 2.347 178.142 175.800 -0.009 0.000 1.104 334 F CA 0.846 58.846 58.000 -0.000 0.000 1.232 334 F CB -0.977 38.020 39.000 -0.006 0.000 0.987 334 F HN -0.038 nan 8.300 nan 0.000 0.475 335 V N -0.865 119.138 119.914 0.148 0.000 2.343 335 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 335 V C 2.225 178.289 176.094 -0.049 0.000 1.051 335 V CA 1.678 63.938 62.300 -0.066 0.000 1.036 335 V CB -0.912 30.773 31.823 -0.230 0.000 0.654 335 V HN 0.210 nan 8.190 nan 0.000 0.451 336 F N 1.152 121.061 119.950 -0.068 0.000 2.186 336 F HA -0.120 4.407 4.527 0.000 0.000 0.299 336 F C 2.197 178.023 175.800 0.042 0.000 1.090 336 F CA 1.801 59.786 58.000 -0.025 0.000 1.307 336 F CB -0.295 38.651 39.000 -0.089 0.000 1.019 336 F HN 0.206 nan 8.300 nan 0.000 0.489 337 D N 0.105 120.616 120.400 0.184 0.000 2.104 337 D HA -0.207 4.432 4.640 -0.000 0.000 0.194 337 D C 2.265 178.630 176.300 0.109 0.000 0.994 337 D CA 1.514 55.672 54.000 0.263 0.000 0.830 337 D CB -0.377 40.546 40.800 0.204 0.000 0.959 337 D HN 0.282 nan 8.370 nan 0.000 0.452 338 A N 0.002 122.839 122.820 0.030 0.000 1.858 338 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 338 A C 2.659 180.217 177.584 -0.043 0.000 1.190 338 A CA 1.847 53.890 52.037 0.010 0.000 0.617 338 A CB -1.014 17.997 19.000 0.018 0.000 0.827 338 A HN 0.191 nan 8.150 nan 0.000 0.443 339 V N 0.866 120.686 119.914 -0.157 0.000 2.282 339 V HA -0.308 3.812 4.120 -0.000 0.000 0.249 339 V C 3.019 178.994 176.094 -0.198 0.000 1.057 339 V CA 2.706 64.884 62.300 -0.203 0.000 1.032 339 V CB -1.518 30.097 31.823 -0.347 0.000 0.645 339 V HN 0.861 nan 8.190 nan 0.000 0.447 340 T N -2.495 111.933 114.554 -0.210 0.000 2.833 340 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 340 T C 1.543 176.262 174.700 0.032 0.000 1.054 340 T CA 1.540 63.639 62.100 -0.002 0.000 1.135 340 T CB -0.468 68.527 68.868 0.212 0.000 0.869 340 T HN 0.381 nan 8.240 nan 0.000 0.466 341 D N 0.482 120.890 120.400 0.013 0.000 2.264 341 D HA 0.012 4.652 4.640 -0.000 0.000 0.208 341 D C 2.066 178.352 176.300 -0.023 0.000 0.966 341 D CA 0.318 54.321 54.000 0.006 0.000 0.864 341 D CB -0.204 40.608 40.800 0.019 0.000 0.933 341 D HN 0.323 nan 8.370 nan 0.000 0.499 342 V N 0.021 119.892 119.914 -0.072 0.000 2.599 342 V HA -0.034 4.086 4.120 -0.000 0.000 0.245 342 V C 2.132 178.149 176.094 -0.128 0.000 1.046 342 V CA 0.555 62.768 62.300 -0.145 0.000 1.065 342 V CB 0.017 31.617 31.823 -0.372 0.000 0.703 342 V HN 0.076 nan 8.190 nan 0.000 0.464 343 I N -0.114 120.398 120.570 -0.096 0.000 2.286 343 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 343 I C 2.207 178.309 176.117 -0.024 0.000 1.115 343 I CA 1.824 63.097 61.300 -0.046 0.000 1.392 343 I CB -0.164 37.844 38.000 0.013 0.000 1.065 343 I HN 0.279 nan 8.210 nan 0.000 0.418 344 I N 0.572 121.132 120.570 -0.016 0.000 2.252 344 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 344 I C 2.598 178.706 176.117 -0.015 0.000 1.102 344 I CA 1.219 62.508 61.300 -0.019 0.000 1.385 344 I CB -0.317 37.674 38.000 -0.016 0.000 1.064 344 I HN 0.174 nan 8.210 nan 0.000 0.414 345 K N 1.449 121.842 120.400 -0.012 0.000 2.283 345 K HA -0.156 4.164 4.320 -0.000 0.000 0.202 345 K C 0.222 176.829 176.600 0.011 0.000 1.048 345 K CA 1.142 57.430 56.287 0.001 0.000 0.948 345 K CB -0.016 32.489 32.500 0.008 0.000 0.742 345 K HN 0.523 nan 8.250 nan 0.000 0.458 346 N N 0.000 118.704 118.700 0.008 0.000 1.763 346 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 346 N CA 0.000 53.066 53.050 0.027 0.000 0.885 346 N CB 0.000 38.520 38.487 0.055 0.000 1.341 346 N HN 0.000 nan 8.380 nan 0.000 0.667