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 2v91_1_B DATA FIRST_RESID 32 DATA SEQUENCE KEILIEAPSY APNSFTFDST NKGFYTSVQD GRVIKYEGPN SGFVDFAYAS DATA SEQUENCE PYWNKAFcEN STDAEKRPLc GRTYDISYNL QNNQLYIVDC YYHLSVVGSE DATA SEQUENCE GGHATQLATS VDGVPFKWLY AVTVDQRTGI VYFTDVSTLY DDRGVQQIMD DATA SEQUENCE TSDKTGRLIK YDPSTKETTL LLKELHVPGG AEVSADSSFV LVAEFLSHQI DATA SEQUENCE VKYWLEGPKK GTAEVLVKIP NPGNIKRNAD GHFWVSSSEE LDGNMHGRVD DATA SEQUENCE PKGIKFDEFG NILEVIPLPP PFAGEHFEQI QEHDGLLYIG TLFHGSVGIL DATA SEQUENCE VY 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 K HA 0.000 nan 4.320 nan 0.000 0.191 32 K C 0.000 176.578 176.600 -0.036 0.000 0.988 32 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 32 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 33 E N 1.702 121.877 120.200 -0.042 0.000 2.397 33 E HA 0.292 4.642 4.350 -0.000 0.000 0.293 33 E C -1.672 174.897 176.600 -0.052 0.000 0.930 33 E CA -0.531 55.837 56.400 -0.053 0.000 0.793 33 E CB 1.927 31.605 29.700 -0.036 0.000 1.259 33 E HN 0.338 nan 8.360 nan 0.000 0.406 34 I N 3.019 123.544 120.570 -0.074 0.000 2.509 34 I HA 0.537 4.707 4.170 -0.000 0.000 0.293 34 I C -0.132 175.955 176.117 -0.050 0.000 1.020 34 I CA -0.788 60.477 61.300 -0.059 0.000 1.088 34 I CB 1.513 39.473 38.000 -0.068 0.000 1.267 34 I HN 0.503 nan 8.210 nan 0.000 0.430 35 L N 4.526 125.736 121.223 -0.022 0.000 2.342 35 L HA 0.559 4.899 4.340 -0.000 0.000 0.276 35 L C -0.845 176.035 176.870 0.016 0.000 0.997 35 L CA -0.481 54.358 54.840 -0.002 0.000 0.838 35 L CB 1.765 43.812 42.059 -0.020 0.000 1.224 35 L HN 0.592 nan 8.230 nan 0.000 0.416 36 I N 1.621 122.212 120.570 0.034 0.000 2.312 36 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 36 I C 0.468 176.655 176.117 0.116 0.000 1.008 36 I CA -0.953 60.378 61.300 0.052 0.000 1.226 36 I CB 1.295 39.269 38.000 -0.045 0.000 1.371 36 I HN 0.645 nan 8.210 nan 0.000 0.468 37 E N 4.006 124.274 120.200 0.114 0.000 2.316 37 E HA 0.579 4.929 4.350 -0.000 0.000 0.275 37 E C -0.006 176.627 176.600 0.055 0.000 1.029 37 E CA -0.263 56.185 56.400 0.081 0.000 0.871 37 E CB 0.967 30.707 29.700 0.068 0.000 1.022 37 E HN 0.923 nan 8.360 nan 0.000 0.418 38 A N 5.287 128.020 122.820 -0.145 0.000 2.322 38 A HA 0.660 4.980 4.320 -0.000 0.000 0.327 38 A C -2.377 174.959 177.584 -0.412 0.000 1.134 38 A CA -1.509 50.141 52.037 -0.645 0.000 0.831 38 A CB 0.892 19.482 19.000 -0.684 0.000 1.288 38 A HN 0.663 nan 8.150 nan 0.000 0.472 39 P HA 0.235 nan 4.420 nan 0.000 0.286 39 P C 0.813 178.029 177.300 -0.139 0.000 1.293 39 P CA 0.665 63.645 63.100 -0.201 0.000 0.770 39 P CB 0.589 32.196 31.700 -0.156 0.000 1.206 40 S N -1.136 114.545 115.700 -0.032 0.000 4.046 40 S HA -0.273 4.197 4.470 -0.000 0.000 0.572 40 S C -0.232 174.433 174.600 0.110 0.000 2.022 40 S CA 1.573 59.792 58.200 0.031 0.000 4.201 40 S CB -1.604 61.605 63.200 0.014 0.000 0.438 40 S HN 0.778 nan 8.310 nan 0.000 0.618 41 Y N -0.784 119.469 120.300 -0.078 0.000 2.656 41 Y HA 0.477 5.027 4.550 -0.000 0.000 0.334 41 Y C -0.248 175.603 175.900 -0.081 0.000 1.179 41 Y CA 0.495 58.557 58.100 -0.063 0.000 1.050 41 Y CB 0.945 39.370 38.460 -0.059 0.000 1.308 41 Y HN 1.883 nan 8.280 nan 0.000 0.456 42 A N 2.641 125.197 122.820 -0.439 0.000 2.648 42 A HA -0.115 4.205 4.320 -0.000 0.000 0.297 42 A C -2.899 174.568 177.584 -0.194 0.000 1.467 42 A CA 0.286 52.153 52.037 -0.283 0.000 0.731 42 A CB -2.141 16.800 19.000 -0.098 0.000 1.085 42 A HN 0.339 nan 8.150 nan 0.000 0.437 43 P HA 0.197 nan 4.420 nan 0.000 0.275 43 P C 0.314 177.434 177.300 -0.300 0.000 1.276 43 P CA 0.090 63.071 63.100 -0.199 0.000 0.782 43 P CB 0.466 32.150 31.700 -0.028 0.000 0.851 44 N N 1.724 120.177 118.700 -0.411 0.000 2.171 44 N HA 0.034 4.774 4.740 -0.000 0.000 0.212 44 N C -0.464 174.766 175.510 -0.465 0.000 1.184 44 N CA -0.300 52.549 53.050 -0.334 0.000 0.888 44 N CB 0.421 38.779 38.487 -0.215 0.000 1.038 44 N HN 0.334 nan 8.380 nan 0.000 0.517 45 S N -0.908 114.304 115.700 -0.813 0.000 2.565 45 S HA 0.769 5.239 4.470 -0.000 0.000 0.269 45 S C -1.527 172.444 174.600 -1.048 0.000 1.153 45 S CA -0.809 56.978 58.200 -0.688 0.000 0.835 45 S CB 1.113 64.119 63.200 -0.324 0.000 1.122 45 S HN 0.003 nan 8.310 nan 0.000 0.462 46 F N -0.038 119.809 119.950 -0.173 0.000 2.626 46 F HA 0.894 5.421 4.527 -0.000 0.000 0.311 46 F C 0.413 175.981 175.800 -0.386 0.000 1.088 46 F CA -0.401 57.389 58.000 -0.349 0.000 0.949 46 F CB 2.246 40.891 39.000 -0.592 0.000 1.322 46 F HN 0.960 nan 8.300 nan 0.000 0.461 47 T N 0.303 114.632 114.554 -0.375 0.000 2.711 47 T HA 0.762 5.112 4.350 -0.000 0.000 0.302 47 T C -2.287 172.029 174.700 -0.640 0.000 1.373 47 T CA -0.637 61.214 62.100 -0.416 0.000 1.000 47 T CB 0.870 69.721 68.868 -0.030 0.000 1.483 47 T HN 0.322 nan 8.240 nan 0.000 0.499 48 F N 1.633 121.603 119.950 0.034 0.000 2.591 48 F HA 0.501 5.028 4.527 -0.000 0.000 0.309 48 F C -0.075 175.589 175.800 -0.227 0.000 1.098 48 F CA -0.872 57.073 58.000 -0.092 0.000 0.937 48 F CB 1.878 40.678 39.000 -0.334 0.000 1.250 48 F HN 0.698 nan 8.300 nan 0.000 0.447 49 D N -0.410 119.888 120.400 -0.169 0.000 2.529 49 D HA 0.338 4.978 4.640 -0.000 0.000 0.273 49 D C 0.739 176.892 176.300 -0.246 0.000 1.197 49 D CA -0.608 52.979 54.000 -0.687 0.000 1.070 49 D CB 0.512 40.865 40.800 -0.746 0.000 1.134 49 D HN 0.271 nan 8.370 nan 0.000 0.590 50 S N -1.358 114.223 115.700 -0.198 0.000 2.382 50 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 50 S C 1.917 176.503 174.600 -0.022 0.000 1.027 50 S CA 1.633 59.810 58.200 -0.038 0.000 0.991 50 S CB -0.774 62.435 63.200 0.014 0.000 0.823 50 S HN 0.802 nan 8.310 nan 0.000 0.469 51 T N 0.517 115.046 114.554 -0.041 0.000 3.051 51 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 51 T C 0.852 175.540 174.700 -0.019 0.000 1.127 51 T CA 0.902 62.986 62.100 -0.028 0.000 1.107 51 T CB -0.653 68.194 68.868 -0.035 0.000 0.898 51 T HN 0.276 nan 8.240 nan 0.000 0.517 52 N N 1.252 119.950 118.700 -0.004 0.000 2.698 52 N HA -0.165 4.575 4.740 -0.000 0.000 0.258 52 N C -1.185 174.351 175.510 0.043 0.000 0.978 52 N CA 0.801 53.887 53.050 0.060 0.000 0.777 52 N CB -1.370 37.169 38.487 0.087 0.000 0.907 52 N HN 0.711 nan 8.380 nan 0.000 0.543 53 K N 0.263 120.654 120.400 -0.015 0.000 2.450 53 K HA 0.620 4.940 4.320 -0.000 0.000 0.257 53 K C 0.539 177.069 176.600 -0.117 0.000 0.953 53 K CA -0.039 56.218 56.287 -0.051 0.000 0.844 53 K CB 1.285 33.731 32.500 -0.090 0.000 1.103 53 K HN 0.433 nan 8.250 nan 0.000 0.429 54 G N 2.134 110.894 108.800 -0.068 0.000 2.725 54 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 54 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 54 G C -0.957 173.919 174.900 -0.040 0.000 1.357 54 G CA -0.199 44.786 45.100 -0.192 0.000 0.866 54 G HN 0.654 nan 8.290 nan 0.000 0.548 55 F N -3.082 116.711 119.950 -0.262 0.000 2.711 55 F HA 0.809 5.336 4.527 0.000 0.000 0.313 55 F C -1.191 174.267 175.800 -0.570 0.000 1.141 55 F CA -2.381 55.339 58.000 -0.467 0.000 0.941 55 F CB 0.783 39.483 39.000 -0.499 0.000 1.349 55 F HN 0.658 nan 8.300 nan 0.000 0.464 56 Y N 0.044 120.310 120.300 -0.056 0.000 2.377 56 Y HA 0.675 5.225 4.550 0.000 0.000 0.339 56 Y C 0.260 176.228 175.900 0.113 0.000 1.011 56 Y CA -0.800 57.270 58.100 -0.050 0.000 1.093 56 Y CB 2.216 40.552 38.460 -0.206 0.000 1.201 56 Y HN 0.919 nan 8.280 nan 0.000 0.455 57 T N 1.340 116.056 114.554 0.270 0.000 2.883 57 T HA 0.541 4.891 4.350 -0.000 0.000 0.301 57 T C -1.213 173.448 174.700 -0.066 0.000 1.158 57 T CA -0.823 61.311 62.100 0.056 0.000 1.007 57 T CB 0.950 69.946 68.868 0.213 0.000 1.186 57 T HN 0.635 nan 8.240 nan 0.000 0.499 58 S N 2.651 118.217 115.700 -0.223 0.000 2.456 58 S HA 0.756 5.226 4.470 -0.000 0.000 0.316 58 S C -0.019 174.440 174.600 -0.235 0.000 1.089 58 S CA -0.475 57.596 58.200 -0.217 0.000 1.101 58 S CB 0.518 63.570 63.200 -0.247 0.000 0.995 58 S HN 0.961 nan 8.310 nan 0.000 0.468 59 V N 1.756 121.556 119.914 -0.190 0.000 3.204 59 V HA 0.605 4.725 4.120 -0.000 0.000 0.316 59 V C 1.415 177.432 176.094 -0.129 0.000 1.160 59 V CA -0.871 61.334 62.300 -0.158 0.000 1.044 59 V CB 0.975 32.723 31.823 -0.125 0.000 1.136 59 V HN 0.800 nan 8.190 nan 0.000 0.455 60 Q N 1.607 121.367 119.800 -0.068 0.000 2.135 60 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 60 Q C 1.358 177.354 176.000 -0.007 0.000 0.981 60 Q CA 2.460 58.237 55.803 -0.043 0.000 0.856 60 Q CB -0.598 28.154 28.738 0.022 0.000 0.902 60 Q HN 1.072 nan 8.270 nan 0.000 0.425 61 D N -2.274 118.156 120.400 0.050 0.000 2.323 61 D HA 0.144 4.784 4.640 -0.000 0.000 0.239 61 D C 0.976 177.463 176.300 0.312 0.000 1.129 61 D CA 0.694 54.799 54.000 0.175 0.000 0.865 61 D CB -0.272 40.678 40.800 0.250 0.000 0.913 61 D HN 0.346 nan 8.370 nan 0.000 0.517 62 G N 0.019 108.882 108.800 0.106 0.000 2.241 62 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.244 62 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.244 62 G C 0.488 175.308 174.900 -0.132 0.000 0.998 62 G CA -0.147 45.005 45.100 0.087 0.000 0.621 62 G HN 0.467 nan 8.290 nan 0.000 0.519 63 R N -0.042 120.284 120.500 -0.290 0.000 2.679 63 R HA 0.425 4.765 4.340 -0.000 0.000 0.268 63 R C -0.109 175.986 176.300 -0.343 0.000 1.044 63 R CA 0.059 55.842 56.100 -0.528 0.000 1.105 63 R CB 1.065 31.050 30.300 -0.524 0.000 0.989 63 R HN 0.089 nan 8.270 nan 0.000 0.447 64 V N 4.689 124.378 119.914 -0.375 0.000 2.347 64 V HA 0.197 4.317 4.120 -0.000 0.000 0.280 64 V C 0.363 176.387 176.094 -0.117 0.000 1.021 64 V CA -0.495 61.699 62.300 -0.177 0.000 0.847 64 V CB 1.168 32.934 31.823 -0.095 0.000 0.990 64 V HN 0.564 nan 8.190 nan 0.000 0.444 65 I N 2.386 122.938 120.570 -0.030 0.000 2.793 65 I HA 0.779 4.949 4.170 -0.000 0.000 0.313 65 I C -0.361 175.828 176.117 0.121 0.000 0.998 65 I CA -1.274 60.053 61.300 0.046 0.000 1.140 65 I CB 1.315 39.339 38.000 0.040 0.000 1.327 65 I HN 0.807 nan 8.210 nan 0.000 0.491 66 K N 2.242 122.670 120.400 0.047 0.000 2.413 66 K HA 0.418 4.738 4.320 -0.000 0.000 0.257 66 K C -1.536 174.879 176.600 -0.309 0.000 0.946 66 K CA -0.599 55.519 56.287 -0.281 0.000 0.823 66 K CB 1.429 33.584 32.500 -0.576 0.000 1.109 66 K HN 0.825 nan 8.250 nan 0.000 0.427 67 Y N 3.076 122.878 120.300 -0.831 0.000 2.402 67 Y HA 0.113 4.663 4.550 -0.000 0.000 0.333 67 Y C 0.168 175.549 175.900 -0.866 0.000 1.076 67 Y CA 0.075 57.432 58.100 -1.238 0.000 1.299 67 Y CB 1.415 38.649 38.460 -2.044 0.000 1.197 67 Y HN 0.852 nan 8.280 nan 0.000 0.517 68 E N 3.385 122.941 120.200 -1.073 0.000 2.481 68 E HA 0.330 4.680 4.350 -0.000 0.000 0.198 68 E C 0.500 176.559 176.600 -0.901 0.000 1.027 68 E CA 0.396 56.323 56.400 -0.787 0.000 0.900 68 E CB 0.197 29.611 29.700 -0.476 0.000 0.993 68 E HN 0.999 nan 8.360 nan 0.000 0.482 69 G N 0.931 108.722 108.800 -1.682 0.000 2.592 69 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.684 69 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.684 69 G C -2.488 171.985 174.900 -0.712 0.000 1.291 69 G CA -0.661 43.775 45.100 -1.107 0.000 0.891 69 G HN -0.080 nan 8.290 nan 0.000 0.544 70 P HA 0.041 nan 4.420 nan 0.000 0.221 70 P C 1.566 178.836 177.300 -0.050 0.000 1.155 70 P CA 1.318 64.408 63.100 -0.017 0.000 0.812 70 P CB -0.020 31.708 31.700 0.046 0.000 0.801 71 N N -0.573 118.071 118.700 -0.093 0.000 2.188 71 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 71 N C 1.663 177.123 175.510 -0.084 0.000 1.018 71 N CA 1.274 54.282 53.050 -0.069 0.000 0.858 71 N CB -0.637 37.810 38.487 -0.067 0.000 0.989 71 N HN 0.115 nan 8.380 nan 0.000 0.426 72 S N -0.580 115.026 115.700 -0.156 0.000 2.512 72 S HA 0.335 4.805 4.470 -0.000 0.000 0.216 72 S C 0.946 175.456 174.600 -0.151 0.000 1.006 72 S CA 0.524 58.636 58.200 -0.146 0.000 0.915 72 S CB -0.152 62.945 63.200 -0.173 0.000 0.824 72 S HN 0.641 nan 8.310 nan 0.000 0.497 73 G N 0.999 109.664 108.800 -0.224 0.000 2.601 73 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 73 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 73 G C -0.417 174.382 174.900 -0.168 0.000 1.294 73 G CA -0.078 44.979 45.100 -0.071 0.000 0.912 73 G HN 0.399 nan 8.290 nan 0.000 0.574 74 F N 0.098 120.105 119.950 0.095 0.000 2.377 74 F HA 0.610 5.137 4.527 -0.000 0.000 0.328 74 F C 1.091 176.880 175.800 -0.019 0.000 1.094 74 F CA 0.226 58.250 58.000 0.041 0.000 1.093 74 F CB 1.814 40.851 39.000 0.062 0.000 1.214 74 F HN 0.561 nan 8.300 nan 0.000 0.518 75 V N -1.534 118.467 119.914 0.145 0.000 3.159 75 V HA 0.483 4.603 4.120 -0.000 0.000 0.308 75 V C -1.190 174.941 176.094 0.062 0.000 1.190 75 V CA -1.303 61.045 62.300 0.080 0.000 1.037 75 V CB 1.731 33.573 31.823 0.033 0.000 1.060 75 V HN 0.446 nan 8.190 nan 0.000 0.437 76 D N 0.659 121.071 120.400 0.020 0.000 2.414 76 D HA 0.379 5.019 4.640 -0.000 0.000 0.242 76 D C -0.137 176.146 176.300 -0.028 0.000 1.129 76 D CA 0.212 54.158 54.000 -0.089 0.000 0.885 76 D CB 1.326 42.062 40.800 -0.107 0.000 1.198 76 D HN 0.631 nan 8.370 nan 0.000 0.437 77 F N 1.257 121.028 119.950 -0.299 0.000 2.532 77 F HA 0.481 5.008 4.527 -0.000 0.000 0.276 77 F C -0.072 175.493 175.800 -0.391 0.000 0.911 77 F CA 0.319 58.193 58.000 -0.209 0.000 1.196 77 F CB 0.206 39.204 39.000 -0.003 0.000 1.087 77 F HN 0.383 nan 8.300 nan 0.000 0.775 78 A N -0.935 121.493 122.820 -0.653 0.000 2.594 78 A HA 0.683 5.003 4.320 -0.000 0.000 0.291 78 A C -2.278 174.689 177.584 -1.029 0.000 1.105 78 A CA -0.352 51.215 52.037 -0.783 0.000 0.694 78 A CB 0.617 19.344 19.000 -0.455 0.000 1.291 78 A HN 0.195 nan 8.150 nan 0.000 0.410 79 Y N 0.201 120.247 120.300 -0.424 0.000 2.322 79 Y HA 0.518 5.068 4.550 -0.000 0.000 0.324 79 Y C 1.048 176.810 175.900 -0.230 0.000 1.027 79 Y CA -0.100 57.775 58.100 -0.376 0.000 1.179 79 Y CB 1.691 39.873 38.460 -0.464 0.000 1.136 79 Y HN 0.851 nan 8.280 nan 0.000 0.449 80 A N 1.648 124.434 122.820 -0.057 0.000 1.940 80 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 80 A C 1.483 178.942 177.584 -0.209 0.000 1.176 80 A CA 1.509 53.520 52.037 -0.044 0.000 0.631 80 A CB -0.359 18.674 19.000 0.055 0.000 0.814 80 A HN 0.532 nan 8.150 nan 0.000 0.446 81 S N 0.046 115.536 115.700 -0.350 0.000 2.505 81 S HA 0.333 4.803 4.470 -0.000 0.000 0.276 81 S C -1.617 172.756 174.600 -0.378 0.000 1.274 81 S CA -1.327 56.333 58.200 -0.901 0.000 1.053 81 S CB 0.790 63.698 63.200 -0.487 0.000 0.919 81 S HN 0.135 nan 8.310 nan 0.000 0.490 82 P HA -0.034 nan 4.420 nan 0.000 0.223 82 P C -0.323 176.352 177.300 -1.042 0.000 1.144 82 P CA 1.159 63.737 63.100 -0.869 0.000 0.783 82 P CB -0.044 30.977 31.700 -1.132 0.000 0.771 83 Y N -5.245 114.989 120.300 -0.110 0.000 2.500 83 Y HA 0.277 4.827 4.550 -0.000 0.000 0.246 83 Y C 0.770 176.691 175.900 0.035 0.000 1.146 83 Y CA -1.487 56.582 58.100 -0.052 0.000 1.230 83 Y CB -0.897 37.548 38.460 -0.024 0.000 1.214 83 Y HN -0.152 nan 8.280 nan 0.000 0.526 84 W N 4.074 125.400 121.300 0.044 0.000 2.560 84 W HA -0.081 4.579 4.660 -0.000 0.000 0.335 84 W C 0.177 176.677 176.519 -0.032 0.000 1.147 84 W CA 0.980 58.341 57.345 0.026 0.000 1.277 84 W CB 0.306 29.762 29.460 -0.007 0.000 1.152 84 W HN 0.049 nan 8.180 nan 0.000 0.561 85 N N 5.472 123.763 118.700 -0.681 0.000 2.454 85 N HA 0.064 4.804 4.740 -0.000 0.000 0.291 85 N C 0.509 175.492 175.510 -0.878 0.000 1.079 85 N CA -0.505 52.247 53.050 -0.496 0.000 0.893 85 N CB 1.531 39.889 38.487 -0.215 0.000 1.512 85 N HN 0.636 nan 8.380 nan 0.000 0.497 86 K N 2.703 122.781 120.400 -0.536 0.000 1.987 86 K HA -0.164 4.156 4.320 -0.000 0.000 0.216 86 K C 1.667 178.098 176.600 -0.281 0.000 1.051 86 K CA 2.281 58.340 56.287 -0.380 0.000 0.942 86 K CB -0.126 32.391 32.500 0.028 0.000 0.722 86 K HN 0.613 nan 8.250 nan 0.000 0.444 87 A N 0.232 122.965 122.820 -0.146 0.000 1.902 87 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 87 A C 2.047 179.607 177.584 -0.039 0.000 1.181 87 A CA 1.412 53.409 52.037 -0.067 0.000 0.623 87 A CB -0.773 18.211 19.000 -0.028 0.000 0.818 87 A HN 0.508 nan 8.150 nan 0.000 0.443 88 F N -0.156 119.645 119.950 -0.248 0.000 2.186 88 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 88 F C 2.182 177.815 175.800 -0.278 0.000 1.090 88 F CA 1.204 59.064 58.000 -0.233 0.000 1.307 88 F CB -0.297 38.567 39.000 -0.227 0.000 1.019 88 F HN 0.310 nan 8.300 nan 0.000 0.489 89 c N -0.995 117.314 118.600 -0.485 0.000 2.563 89 c HA 0.116 4.686 4.570 -0.000 0.000 0.346 89 c C 0.989 174.952 174.090 -0.212 0.000 1.334 89 c CA -0.465 55.527 56.329 -0.561 0.000 1.938 89 c CB -0.772 41.120 42.510 -1.029 0.000 2.445 89 c HN 0.293 nan 8.230 nan 0.000 0.541 90 E N 1.717 121.826 120.200 -0.152 0.000 2.480 90 E HA -0.050 4.300 4.350 -0.000 0.000 0.258 90 E C 0.119 176.778 176.600 0.098 0.000 0.984 90 E CA 0.521 57.057 56.400 0.227 0.000 0.930 90 E CB -0.108 29.739 29.700 0.246 0.000 0.936 90 E HN 0.543 nan 8.360 nan 0.000 0.466 91 N N 1.317 120.093 118.700 0.126 0.000 2.863 91 N HA -0.261 4.479 4.740 -0.000 0.000 0.245 91 N C -0.457 175.047 175.510 -0.010 0.000 1.001 91 N CA 0.798 53.878 53.050 0.050 0.000 0.901 91 N CB -0.850 37.658 38.487 0.036 0.000 1.124 91 N HN 0.462 nan 8.380 nan 0.000 0.582 92 S N -0.246 115.427 115.700 -0.044 0.000 2.573 92 S HA 0.284 4.754 4.470 -0.000 0.000 0.277 92 S C 1.286 175.829 174.600 -0.095 0.000 1.346 92 S CA 0.756 58.889 58.200 -0.113 0.000 1.034 92 S CB 0.930 64.001 63.200 -0.215 0.000 0.879 92 S HN 0.306 nan 8.310 nan 0.000 0.528 93 T N -0.368 114.113 114.554 -0.121 0.000 3.043 93 T HA 0.198 4.548 4.350 -0.000 0.000 0.272 93 T C -0.077 174.552 174.700 -0.118 0.000 0.990 93 T CA -0.306 61.719 62.100 -0.124 0.000 0.897 93 T CB -0.199 68.566 68.868 -0.171 0.000 1.111 93 T HN 0.610 nan 8.240 nan 0.000 0.529 94 D N 2.058 122.378 120.400 -0.133 0.000 2.363 94 D HA 0.406 5.046 4.640 -0.000 0.000 0.263 94 D C 1.388 177.615 176.300 -0.120 0.000 1.258 94 D CA 0.055 53.982 54.000 -0.122 0.000 0.907 94 D CB 1.057 41.773 40.800 -0.140 0.000 1.107 94 D HN 0.249 nan 8.370 nan 0.000 0.495 95 A N 4.880 127.649 122.820 -0.085 0.000 2.019 95 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 95 A C 1.840 179.368 177.584 -0.094 0.000 1.164 95 A CA 0.891 52.882 52.037 -0.076 0.000 0.644 95 A CB -0.226 18.748 19.000 -0.043 0.000 0.805 95 A HN 0.574 nan 8.150 nan 0.000 0.449 96 E N 0.339 120.493 120.200 -0.078 0.000 2.338 96 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 96 E C 1.592 178.144 176.600 -0.081 0.000 1.007 96 E CA 0.723 57.085 56.400 -0.063 0.000 0.849 96 E CB -0.192 29.494 29.700 -0.023 0.000 0.774 96 E HN 0.635 nan 8.360 nan 0.000 0.506 97 K N 0.415 120.731 120.400 -0.139 0.000 2.288 97 K HA 0.001 4.321 4.320 -0.000 0.000 0.201 97 K C 2.050 178.546 176.600 -0.174 0.000 1.048 97 K CA 0.280 56.443 56.287 -0.206 0.000 0.956 97 K CB 0.046 32.241 32.500 -0.508 0.000 0.746 97 K HN 0.051 nan 8.250 nan 0.000 0.461 98 R N 0.628 120.989 120.500 -0.232 0.000 2.083 98 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 98 R C -0.807 175.157 176.300 -0.559 0.000 1.137 98 R CA 1.418 57.314 56.100 -0.342 0.000 0.951 98 R CB -1.487 28.588 30.300 -0.376 0.000 0.851 98 R HN 0.109 nan 8.270 nan 0.000 0.434 99 P HA -0.227 nan 4.420 nan 0.000 0.216 99 P C 1.322 178.629 177.300 0.012 0.000 1.154 99 P CA 1.230 64.049 63.100 -0.469 0.000 0.865 99 P CB -0.007 31.544 31.700 -0.249 0.000 0.789 100 L N -1.266 120.019 121.223 0.103 0.000 2.068 100 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 100 L C 1.953 179.024 176.870 0.335 0.000 1.076 100 L CA 1.875 56.876 54.840 0.268 0.000 0.753 100 L CB -0.934 41.285 42.059 0.266 0.000 0.910 100 L HN 0.067 nan 8.230 nan 0.000 0.439 101 c N 0.265 118.996 118.600 0.218 0.000 2.448 101 c HA 0.226 4.796 4.570 -0.000 0.000 0.280 101 c C 1.459 175.784 174.090 0.390 0.000 1.398 101 c CA 0.414 56.898 56.329 0.258 0.000 1.774 101 c CB -1.515 41.050 42.510 0.091 0.000 1.888 101 c HN 0.785 nan 8.230 nan 0.000 0.519 102 G N 0.291 109.335 108.800 0.407 0.000 2.846 102 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.660 102 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.660 102 G C -0.592 174.482 174.900 0.290 0.000 1.464 102 G CA -0.355 45.026 45.100 0.469 0.000 0.891 102 G HN 0.468 nan 8.290 nan 0.000 0.552 103 R N 0.134 120.813 120.500 0.298 0.000 2.585 103 R HA 0.484 4.824 4.340 -0.000 0.000 0.288 103 R C -0.486 175.781 176.300 -0.056 0.000 1.194 103 R CA -0.281 55.858 56.100 0.064 0.000 1.006 103 R CB 0.957 31.294 30.300 0.062 0.000 1.229 103 R HN 0.760 nan 8.270 nan 0.000 0.412 104 T N 4.190 118.639 114.554 -0.174 0.000 2.856 104 T HA 0.268 4.618 4.350 -0.000 0.000 0.292 104 T C 0.576 175.048 174.700 -0.380 0.000 0.980 104 T CA 0.147 62.156 62.100 -0.151 0.000 1.091 104 T CB 0.521 69.317 68.868 -0.119 0.000 0.936 104 T HN 0.401 nan 8.240 nan 0.000 0.503 105 Y N 0.886 121.165 120.300 -0.035 0.000 2.507 105 Y HA 0.300 4.850 4.550 0.000 0.000 0.263 105 Y C 0.936 176.715 175.900 -0.201 0.000 1.093 105 Y CA -0.244 57.783 58.100 -0.122 0.000 1.285 105 Y CB 0.838 39.271 38.460 -0.044 0.000 1.115 105 Y HN 0.503 nan 8.280 nan 0.000 0.533 106 D N -0.696 119.685 120.400 -0.032 0.000 2.663 106 D HA 0.427 5.067 4.640 -0.000 0.000 0.233 106 D C -1.455 174.826 176.300 -0.031 0.000 1.240 106 D CA -0.275 53.693 54.000 -0.053 0.000 0.774 106 D CB 1.911 42.704 40.800 -0.011 0.000 1.443 106 D HN -0.149 nan 8.370 nan 0.000 0.441 107 I N -0.861 119.688 120.570 -0.035 0.000 2.769 107 I HA 0.914 5.084 4.170 -0.000 0.000 0.298 107 I C -0.584 175.549 176.117 0.028 0.000 1.128 107 I CA -0.755 60.536 61.300 -0.016 0.000 1.031 107 I CB 1.105 39.072 38.000 -0.055 0.000 1.235 107 I HN 0.432 nan 8.210 nan 0.000 0.423 108 S N 2.544 118.286 115.700 0.070 0.000 2.668 108 S HA 0.583 5.053 4.470 -0.000 0.000 0.277 108 S C -1.429 173.266 174.600 0.159 0.000 1.170 108 S CA -0.375 57.899 58.200 0.124 0.000 0.994 108 S CB 1.065 64.344 63.200 0.133 0.000 1.051 108 S HN 0.937 nan 8.310 nan 0.000 0.484 109 Y N 4.391 124.723 120.300 0.052 0.000 2.319 109 Y HA 0.404 4.954 4.550 0.000 0.000 0.328 109 Y C 0.609 176.582 175.900 0.121 0.000 1.133 109 Y CA 0.071 58.197 58.100 0.043 0.000 1.265 109 Y CB 0.740 39.192 38.460 -0.015 0.000 1.218 109 Y HN 0.701 nan 8.280 nan 0.000 0.508 110 N N 6.173 124.929 118.700 0.092 0.000 2.558 110 N HA 0.083 4.823 4.740 -0.000 0.000 0.233 110 N C 0.446 176.121 175.510 0.275 0.000 1.038 110 N CA 0.181 53.345 53.050 0.190 0.000 0.934 110 N CB 0.217 38.819 38.487 0.191 0.000 1.175 110 N HN 0.909 nan 8.380 nan 0.000 0.512 111 L N 1.300 122.731 121.223 0.346 0.000 2.051 111 L HA -0.243 4.097 4.340 -0.000 0.000 0.214 111 L C 2.366 179.359 176.870 0.204 0.000 1.076 111 L CA 1.190 56.208 54.840 0.297 0.000 0.758 111 L CB -0.305 41.865 42.059 0.185 0.000 0.890 111 L HN 0.544 nan 8.230 nan 0.000 0.433 112 Q N 0.843 120.734 119.800 0.152 0.000 2.050 112 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 112 Q C 1.362 177.424 176.000 0.103 0.000 0.980 112 Q CA 1.990 57.858 55.803 0.109 0.000 0.840 112 Q CB -0.129 28.662 28.738 0.088 0.000 0.898 112 Q HN 0.800 nan 8.270 nan 0.000 0.424 113 N N -1.730 117.031 118.700 0.103 0.000 2.235 113 N HA 0.050 4.790 4.740 -0.000 0.000 0.231 113 N C -0.913 174.631 175.510 0.056 0.000 1.177 113 N CA -0.083 53.010 53.050 0.072 0.000 0.874 113 N CB 0.074 38.595 38.487 0.056 0.000 1.097 113 N HN 0.058 nan 8.380 nan 0.000 0.518 114 N N 1.588 120.356 118.700 0.113 0.000 2.667 114 N HA -0.162 4.578 4.740 -0.000 0.000 0.263 114 N C -1.329 174.076 175.510 -0.175 0.000 1.038 114 N CA 0.618 53.743 53.050 0.124 0.000 0.749 114 N CB -0.389 38.220 38.487 0.204 0.000 0.892 114 N HN 0.486 nan 8.380 nan 0.000 0.546 115 Q N 0.648 120.189 119.800 -0.432 0.000 2.337 115 Q HA 0.445 4.785 4.340 -0.000 0.000 0.270 115 Q C -0.756 174.753 176.000 -0.818 0.000 1.043 115 Q CA -0.738 54.763 55.803 -0.504 0.000 0.794 115 Q CB 2.718 31.236 28.738 -0.368 0.000 1.281 115 Q HN 0.364 nan 8.270 nan 0.000 0.446 116 L N 2.911 123.698 121.223 -0.725 0.000 2.272 116 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 116 L C -1.419 175.177 176.870 -0.457 0.000 1.032 116 L CA -0.415 54.071 54.840 -0.590 0.000 0.810 116 L CB 0.443 42.282 42.059 -0.367 0.000 1.205 116 L HN 0.452 nan 8.230 nan 0.000 0.422 117 Y N 4.949 125.131 120.300 -0.196 0.000 2.327 117 Y HA 0.478 5.028 4.550 0.000 0.000 0.336 117 Y C 0.247 176.076 175.900 -0.117 0.000 1.035 117 Y CA -0.156 57.861 58.100 -0.139 0.000 1.165 117 Y CB 1.226 39.624 38.460 -0.105 0.000 1.181 117 Y HN 0.317 nan 8.280 nan 0.000 0.494 118 I N 3.835 124.406 120.570 0.002 0.000 2.493 118 I HA 0.565 4.735 4.170 -0.000 0.000 0.298 118 I C -0.493 175.622 176.117 -0.002 0.000 0.998 118 I CA -1.168 60.121 61.300 -0.018 0.000 1.137 118 I CB 1.486 39.454 38.000 -0.054 0.000 1.310 118 I HN 0.482 nan 8.210 nan 0.000 0.445 119 V N 0.698 120.620 119.914 0.014 0.000 2.487 119 V HA 0.722 4.842 4.120 -0.000 0.000 0.298 119 V C -0.810 175.351 176.094 0.113 0.000 1.028 119 V CA -0.452 61.873 62.300 0.041 0.000 0.860 119 V CB 1.724 33.570 31.823 0.037 0.000 0.991 119 V HN 0.898 nan 8.190 nan 0.000 0.427 120 D N 2.691 123.178 120.400 0.146 0.000 2.787 120 D HA 0.257 4.897 4.640 -0.000 0.000 0.246 120 D C 0.688 177.071 176.300 0.139 0.000 1.150 120 D CA -0.336 53.775 54.000 0.184 0.000 0.864 120 D CB 2.772 43.690 40.800 0.197 0.000 1.481 120 D HN 0.725 nan 8.370 nan 0.000 0.509 121 C N 3.689 123.106 119.300 0.196 0.000 2.391 121 C HA -0.201 4.259 4.460 -0.000 0.000 0.276 121 C C 1.856 176.463 174.990 -0.638 0.000 1.217 121 C CA 1.016 59.935 59.018 -0.165 0.000 1.766 121 C CB -1.038 26.430 27.740 -0.454 0.000 2.046 121 C HN 0.702 nan 8.230 nan 0.000 0.475 122 Y N -2.967 117.246 120.300 -0.145 0.000 2.522 122 Y HA 0.206 4.756 4.550 -0.000 0.000 0.277 122 Y C 1.718 177.113 175.900 -0.842 0.000 1.104 122 Y CA 0.750 58.596 58.100 -0.423 0.000 1.260 122 Y CB -0.270 38.032 38.460 -0.263 0.000 1.151 122 Y HN 0.297 nan 8.280 nan 0.000 0.539 123 Y N -0.654 119.562 120.300 -0.140 0.000 2.507 123 Y HA 0.192 4.742 4.550 0.000 0.000 0.254 123 Y C 0.368 176.268 175.900 0.000 0.000 1.171 123 Y CA -0.608 57.458 58.100 -0.057 0.000 1.238 123 Y CB -0.374 38.135 38.460 0.083 0.000 1.148 123 Y HN 0.055 nan 8.280 nan 0.000 0.525 124 H N -1.229 117.969 119.070 0.213 0.000 1.452 124 H HA -0.273 4.283 4.556 0.000 0.000 0.090 124 H C -0.130 175.255 175.328 0.096 0.000 2.582 124 H CA 0.563 56.734 56.048 0.205 0.000 1.901 124 H CB -0.939 29.007 29.762 0.306 0.000 2.257 124 H HN 0.189 nan 8.280 nan 0.000 0.961 125 L N 2.016 123.331 121.223 0.153 0.000 2.418 125 L HA 0.361 4.701 4.340 -0.000 0.000 0.274 125 L C 0.031 176.862 176.870 -0.066 0.000 1.135 125 L CA 0.584 55.350 54.840 -0.124 0.000 0.870 125 L CB 0.254 42.016 42.059 -0.494 0.000 1.154 125 L HN 0.580 nan 8.230 nan 0.000 0.462 126 S N 3.745 119.412 115.700 -0.056 0.000 2.661 126 S HA 0.835 5.305 4.470 -0.000 0.000 0.285 126 S C -0.920 173.610 174.600 -0.117 0.000 1.138 126 S CA -0.752 57.411 58.200 -0.061 0.000 0.855 126 S CB 1.832 65.021 63.200 -0.018 0.000 1.136 126 S HN 0.691 nan 8.310 nan 0.000 0.484 127 V N 0.655 120.446 119.914 -0.204 0.000 2.971 127 V HA 0.901 5.021 4.120 -0.000 0.000 0.309 127 V C -1.286 174.619 176.094 -0.314 0.000 1.130 127 V CA -0.562 61.490 62.300 -0.414 0.000 0.964 127 V CB 1.933 33.309 31.823 -0.744 0.000 1.029 127 V HN 1.019 nan 8.190 nan 0.000 0.427 128 V N 5.013 124.718 119.914 -0.347 0.000 2.962 128 V HA 0.958 5.078 4.120 -0.000 0.000 0.313 128 V C 0.549 176.488 176.094 -0.259 0.000 1.099 128 V CA 0.391 62.528 62.300 -0.272 0.000 0.971 128 V CB 2.072 33.734 31.823 -0.269 0.000 1.028 128 V HN 1.299 nan 8.190 nan 0.000 0.430 129 G N 2.102 110.786 108.800 -0.194 0.000 2.631 129 G HA2 0.272 4.232 3.960 -0.000 0.000 0.271 129 G HA3 0.272 4.232 3.960 -0.000 0.000 0.271 129 G C 1.182 176.058 174.900 -0.040 0.000 1.302 129 G CA 0.317 45.343 45.100 -0.125 0.000 1.002 129 G HN 1.632 nan 8.290 nan 0.000 0.519 130 S N -1.008 114.718 115.700 0.044 0.000 2.453 130 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 130 S C 1.428 176.188 174.600 0.265 0.000 1.005 130 S CA 1.530 59.854 58.200 0.207 0.000 0.949 130 S CB -0.069 63.246 63.200 0.193 0.000 0.774 130 S HN 0.706 nan 8.310 nan 0.000 0.510 131 E N 1.609 121.858 120.200 0.081 0.000 2.411 131 E HA 0.369 4.719 4.350 -0.000 0.000 0.204 131 E C 1.059 177.524 176.600 -0.226 0.000 1.059 131 E CA 0.252 56.675 56.400 0.039 0.000 1.112 131 E CB -0.734 28.983 29.700 0.029 0.000 1.168 131 E HN 0.554 nan 8.360 nan 0.000 0.445 132 G N 0.769 109.198 108.800 -0.619 0.000 2.564 132 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.273 132 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.273 132 G C 0.629 175.183 174.900 -0.577 0.000 1.242 132 G CA 0.581 44.954 45.100 -1.212 0.000 0.951 132 G HN 1.373 nan 8.290 nan 0.000 0.564 133 G N -2.325 106.181 108.800 -0.489 0.000 2.587 133 G HA2 0.151 4.111 3.960 -0.000 0.000 0.212 133 G HA3 0.151 4.111 3.960 -0.000 0.000 0.212 133 G C -0.182 174.572 174.900 -0.243 0.000 1.327 133 G CA 0.462 45.416 45.100 -0.243 0.000 0.898 133 G HN 1.706 nan 8.290 nan 0.000 0.551 134 H N 0.854 119.906 119.070 -0.031 0.000 2.767 134 H HA 0.507 5.063 4.556 -0.000 0.000 0.316 134 H C 1.122 176.376 175.328 -0.123 0.000 1.059 134 H CA 0.432 56.445 56.048 -0.059 0.000 1.461 134 H CB 0.955 30.639 29.762 -0.129 0.000 1.475 134 H HN 0.970 nan 8.280 nan 0.000 0.531 135 A N 3.685 126.477 122.820 -0.047 0.000 2.445 135 A HA 0.121 4.441 4.320 -0.000 0.000 0.242 135 A C 0.462 178.008 177.584 -0.064 0.000 1.075 135 A CA -0.321 51.661 52.037 -0.092 0.000 0.777 135 A CB 0.043 18.979 19.000 -0.107 0.000 1.013 135 A HN 0.706 nan 8.150 nan 0.000 0.493 136 T N 2.960 117.464 114.554 -0.084 0.000 2.779 136 T HA 0.192 4.542 4.350 -0.000 0.000 0.296 136 T C 0.290 174.961 174.700 -0.048 0.000 0.938 136 T CA 0.163 62.227 62.100 -0.061 0.000 1.119 136 T CB 0.304 69.129 68.868 -0.071 0.000 0.891 136 T HN 0.673 nan 8.240 nan 0.000 0.526 137 Q N 3.056 122.851 119.800 -0.009 0.000 2.314 137 Q HA 0.265 4.605 4.340 -0.000 0.000 0.258 137 Q C 0.335 176.320 176.000 -0.024 0.000 0.954 137 Q CA -0.240 55.572 55.803 0.015 0.000 0.890 137 Q CB 0.529 29.320 28.738 0.088 0.000 1.210 137 Q HN 0.722 nan 8.270 nan 0.000 0.410 138 L N 1.974 123.147 121.223 -0.083 0.000 2.467 138 L HA 0.460 4.800 4.340 -0.000 0.000 0.213 138 L C 0.054 176.806 176.870 -0.197 0.000 1.053 138 L CA 0.182 54.891 54.840 -0.219 0.000 0.847 138 L CB 0.720 42.490 42.059 -0.481 0.000 1.075 138 L HN 0.661 nan 8.230 nan 0.000 0.479 139 A N -0.691 122.074 122.820 -0.092 0.000 2.532 139 A HA 0.477 4.797 4.320 -0.000 0.000 0.296 139 A C 0.053 177.710 177.584 0.122 0.000 1.058 139 A CA 0.033 52.085 52.037 0.025 0.000 0.729 139 A CB 0.659 19.712 19.000 0.087 0.000 1.285 139 A HN 0.123 nan 8.150 nan 0.000 0.396 140 T N -1.860 112.614 114.554 -0.135 0.000 3.003 140 T HA 0.518 4.868 4.350 -0.000 0.000 0.261 140 T C 0.638 174.585 174.700 -1.254 0.000 1.003 140 T CA 0.774 62.578 62.100 -0.493 0.000 0.917 140 T CB -0.469 68.196 68.868 -0.339 0.000 1.084 140 T HN 2.015 nan 8.240 nan 0.000 0.522 141 S N -0.630 114.313 115.700 -1.261 0.000 2.703 141 S HA 0.779 5.249 4.470 -0.000 0.000 0.273 141 S C -1.768 172.476 174.600 -0.594 0.000 1.178 141 S CA -0.640 56.711 58.200 -1.416 0.000 0.838 141 S CB 1.871 64.677 63.200 -0.658 0.000 1.178 141 S HN 0.442 nan 8.310 nan 0.000 0.494 142 V N 0.489 120.258 119.914 -0.242 0.000 3.120 142 V HA 0.497 4.617 4.120 -0.000 0.000 0.303 142 V C -1.275 174.819 176.094 -0.001 0.000 1.238 142 V CA -0.290 62.022 62.300 0.020 0.000 1.008 142 V CB 1.859 33.811 31.823 0.216 0.000 1.064 142 V HN 1.128 nan 8.190 nan 0.000 0.434 143 D N 3.336 123.744 120.400 0.012 0.000 2.845 143 D HA -0.187 4.453 4.640 -0.000 0.000 0.229 143 D C 1.091 177.379 176.300 -0.020 0.000 1.170 143 D CA 2.240 56.241 54.000 0.002 0.000 0.717 143 D CB -1.188 39.618 40.800 0.010 0.000 1.073 143 D HN 1.748 nan 8.370 nan 0.000 0.424 144 G N -1.890 106.883 108.800 -0.044 0.000 2.198 144 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 144 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 144 G C 0.178 175.034 174.900 -0.072 0.000 1.025 144 G CA 0.241 45.305 45.100 -0.061 0.000 0.769 144 G HN 0.672 nan 8.290 nan 0.000 0.507 145 V N 1.323 121.184 119.914 -0.087 0.000 2.380 145 V HA 0.408 4.528 4.120 -0.000 0.000 0.286 145 V C -1.813 174.195 176.094 -0.142 0.000 1.015 145 V CA -1.678 60.577 62.300 -0.075 0.000 0.834 145 V CB 2.020 33.830 31.823 -0.021 0.000 1.009 145 V HN 0.121 nan 8.190 nan 0.000 0.428 146 P HA 0.145 nan 4.420 nan 0.000 0.267 146 P C -0.480 176.721 177.300 -0.165 0.000 1.200 146 P CA -0.096 62.828 63.100 -0.294 0.000 0.772 146 P CB 0.285 31.878 31.700 -0.179 0.000 0.855 147 F N 1.404 121.287 119.950 -0.111 0.000 2.459 147 F HA 0.199 4.726 4.527 -0.000 0.000 0.346 147 F C 1.796 177.654 175.800 0.097 0.000 1.128 147 F CA 0.122 58.123 58.000 0.002 0.000 1.268 147 F CB -0.017 39.020 39.000 0.062 0.000 1.161 147 F HN 0.262 nan 8.300 nan 0.000 0.583 148 K N 0.802 121.418 120.400 0.359 0.000 2.344 148 K HA 0.016 4.336 4.320 -0.000 0.000 0.200 148 K C -0.636 176.145 176.600 0.302 0.000 1.132 148 K CA 0.564 57.016 56.287 0.275 0.000 0.935 148 K CB 0.824 33.438 32.500 0.190 0.000 1.089 148 K HN 0.665 nan 8.250 nan 0.000 0.496 149 W N 2.521 123.860 121.300 0.066 0.000 2.740 149 W HA 0.366 5.026 4.660 -0.000 0.000 0.316 149 W C -1.656 174.859 176.519 -0.007 0.000 1.020 149 W CA -1.362 55.958 57.345 -0.042 0.000 1.278 149 W CB -0.303 29.089 29.460 -0.114 0.000 1.224 149 W HN -0.183 nan 8.180 nan 0.000 0.393 150 L N 5.699 127.116 121.223 0.323 0.000 2.439 150 L HA 0.148 4.488 4.340 -0.000 0.000 0.269 150 L C 0.549 177.493 176.870 0.122 0.000 1.179 150 L CA -0.019 54.905 54.840 0.140 0.000 0.828 150 L CB 0.747 42.895 42.059 0.149 0.000 1.106 150 L HN 0.622 nan 8.230 nan 0.000 0.467 151 Y N 1.595 121.807 120.300 -0.147 0.000 2.652 151 Y HA 0.524 5.074 4.550 0.000 0.000 0.275 151 Y C 0.469 176.384 175.900 0.024 0.000 1.133 151 Y CA 0.218 58.224 58.100 -0.158 0.000 1.246 151 Y CB 0.871 39.039 38.460 -0.486 0.000 1.334 151 Y HN 0.577 nan 8.280 nan 0.000 0.493 152 A N 0.417 123.368 122.820 0.217 0.000 2.498 152 A HA 0.734 5.054 4.320 -0.000 0.000 0.298 152 A C -2.004 175.688 177.584 0.181 0.000 1.075 152 A CA -0.436 51.711 52.037 0.183 0.000 0.714 152 A CB 1.754 20.908 19.000 0.256 0.000 1.299 152 A HN 0.136 nan 8.150 nan 0.000 0.407 153 V N -0.058 119.948 119.914 0.153 0.000 3.087 153 V HA 0.904 5.024 4.120 -0.000 0.000 0.306 153 V C -0.830 175.355 176.094 0.152 0.000 1.187 153 V CA 0.455 62.857 62.300 0.169 0.000 0.999 153 V CB 2.414 34.296 31.823 0.099 0.000 1.049 153 V HN 1.582 nan 8.190 nan 0.000 0.431 154 T N 3.032 117.686 114.554 0.168 0.000 2.942 154 T HA 0.645 4.995 4.350 -0.000 0.000 0.327 154 T C -1.878 172.904 174.700 0.136 0.000 1.360 154 T CA -0.238 61.956 62.100 0.156 0.000 1.055 154 T CB 1.532 70.501 68.868 0.170 0.000 1.261 154 T HN 0.845 nan 8.240 nan 0.000 0.485 155 V N 3.663 123.640 119.914 0.105 0.000 2.448 155 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 155 V C -0.102 176.057 176.094 0.108 0.000 1.025 155 V CA -0.971 61.363 62.300 0.057 0.000 0.859 155 V CB 1.649 33.489 31.823 0.029 0.000 0.988 155 V HN 0.907 nan 8.190 nan 0.000 0.431 156 D N 4.414 124.895 120.400 0.136 0.000 2.402 156 D HA 0.081 4.721 4.640 -0.000 0.000 0.235 156 D C 1.343 177.691 176.300 0.081 0.000 1.226 156 D CA -0.094 53.979 54.000 0.121 0.000 0.918 156 D CB 1.155 42.074 40.800 0.199 0.000 1.043 156 D HN 0.498 nan 8.370 nan 0.000 0.506 157 Q N 2.938 122.782 119.800 0.074 0.000 2.242 157 Q HA -0.245 4.095 4.340 -0.000 0.000 0.211 157 Q C 1.728 177.763 176.000 0.059 0.000 0.992 157 Q CA 1.140 56.987 55.803 0.073 0.000 0.889 157 Q CB -0.188 28.593 28.738 0.071 0.000 0.913 157 Q HN 0.578 nan 8.270 nan 0.000 0.422 158 R N 0.393 120.921 120.500 0.046 0.000 2.093 158 R HA -0.075 4.265 4.340 -0.000 0.000 0.224 158 R C 1.932 178.258 176.300 0.043 0.000 1.101 158 R CA 1.755 57.879 56.100 0.039 0.000 0.979 158 R CB 0.132 30.448 30.300 0.027 0.000 0.877 158 R HN 0.450 nan 8.270 nan 0.000 0.441 159 T N -4.695 109.890 114.554 0.052 0.000 3.023 159 T HA 0.201 4.551 4.350 -0.000 0.000 0.249 159 T C 1.376 176.095 174.700 0.031 0.000 1.050 159 T CA 0.702 62.829 62.100 0.046 0.000 1.088 159 T CB 0.625 69.534 68.868 0.067 0.000 0.946 159 T HN 0.341 nan 8.240 nan 0.000 0.480 160 G N 1.478 110.300 108.800 0.037 0.000 2.184 160 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 160 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 160 G C 0.261 175.130 174.900 -0.052 0.000 0.975 160 G CA 0.132 45.243 45.100 0.018 0.000 0.642 160 G HN 0.697 nan 8.290 nan 0.000 0.536 161 I N 0.675 121.218 120.570 -0.045 0.000 2.692 161 I HA 0.424 4.594 4.170 -0.000 0.000 0.284 161 I C 1.062 177.049 176.117 -0.216 0.000 1.159 161 I CA -0.629 60.575 61.300 -0.161 0.000 1.423 161 I CB 1.254 39.171 38.000 -0.137 0.000 1.380 161 I HN 0.214 nan 8.210 nan 0.000 0.580 162 V N 6.490 126.196 119.914 -0.348 0.000 2.370 162 V HA 0.451 4.571 4.120 -0.000 0.000 0.283 162 V C -0.647 175.296 176.094 -0.252 0.000 1.023 162 V CA -0.629 61.521 62.300 -0.249 0.000 0.857 162 V CB 0.952 32.575 31.823 -0.334 0.000 0.985 162 V HN 0.717 nan 8.190 nan 0.000 0.443 163 Y N 5.583 125.970 120.300 0.144 0.000 2.446 163 Y HA 0.823 5.373 4.550 -0.000 0.000 0.338 163 Y C -0.019 176.051 175.900 0.283 0.000 1.055 163 Y CA -0.847 57.353 58.100 0.167 0.000 1.101 163 Y CB 1.708 40.180 38.460 0.020 0.000 1.221 163 Y HN 0.689 nan 8.280 nan 0.000 0.460 164 F N -2.007 117.979 119.950 0.061 0.000 2.831 164 F HA 0.798 5.325 4.527 0.000 0.000 0.318 164 F C -1.177 174.583 175.800 -0.067 0.000 1.174 164 F CA -1.090 56.903 58.000 -0.012 0.000 0.918 164 F CB 1.735 40.694 39.000 -0.069 0.000 1.364 164 F HN 0.276 nan 8.300 nan 0.000 0.475 165 T N 0.143 114.722 114.554 0.041 0.000 2.900 165 T HA 0.456 4.806 4.350 -0.000 0.000 0.295 165 T C -2.173 172.448 174.700 -0.132 0.000 1.044 165 T CA -0.402 61.624 62.100 -0.123 0.000 0.995 165 T CB 1.851 70.687 68.868 -0.053 0.000 1.072 165 T HN 0.836 nan 8.240 nan 0.000 0.473 166 D N 1.319 121.590 120.400 -0.215 0.000 2.757 166 D HA 0.378 5.018 4.640 -0.000 0.000 0.249 166 D C 1.048 177.229 176.300 -0.198 0.000 1.168 166 D CA -0.740 53.150 54.000 -0.184 0.000 0.870 166 D CB 1.655 42.345 40.800 -0.184 0.000 1.411 166 D HN 0.247 nan 8.370 nan 0.000 0.525 167 V N 2.151 121.883 119.914 -0.303 0.000 2.591 167 V HA 0.213 4.333 4.120 -0.000 0.000 0.249 167 V C 0.452 176.464 176.094 -0.138 0.000 1.053 167 V CA 1.629 63.712 62.300 -0.363 0.000 1.068 167 V CB -0.102 31.259 31.823 -0.771 0.000 0.689 167 V HN 0.421 nan 8.190 nan 0.000 0.462 168 S N -1.309 114.387 115.700 -0.008 0.000 2.579 168 S HA 0.516 4.986 4.470 -0.000 0.000 0.272 168 S C 0.576 175.228 174.600 0.086 0.000 1.141 168 S CA 0.147 58.393 58.200 0.076 0.000 0.843 168 S CB 1.942 65.257 63.200 0.193 0.000 1.122 168 S HN 0.688 nan 8.310 nan 0.000 0.468 169 T N 1.093 115.680 114.554 0.054 0.000 3.060 169 T HA 0.292 4.642 4.350 -0.000 0.000 0.249 169 T C 1.369 176.064 174.700 -0.009 0.000 1.079 169 T CA 0.266 62.393 62.100 0.044 0.000 1.013 169 T CB -0.195 68.689 68.868 0.027 0.000 0.975 169 T HN 0.402 nan 8.240 nan 0.000 0.518 170 L N -1.411 119.771 121.223 -0.069 0.000 2.362 170 L HA 0.439 4.779 4.340 -0.000 0.000 0.204 170 L C -0.073 176.579 176.870 -0.362 0.000 1.060 170 L CA 0.092 54.758 54.840 -0.291 0.000 0.827 170 L CB 0.263 42.001 42.059 -0.535 0.000 1.027 170 L HN 0.168 nan 8.230 nan 0.000 0.474 171 Y N 0.073 120.440 120.300 0.111 0.000 2.468 171 Y HA 0.383 4.933 4.550 -0.000 0.000 0.342 171 Y C -0.191 175.823 175.900 0.190 0.000 1.021 171 Y CA -2.028 56.152 58.100 0.133 0.000 1.079 171 Y CB 1.041 39.585 38.460 0.141 0.000 1.226 171 Y HN 0.062 nan 8.280 nan 0.000 0.460 172 D N -1.152 119.430 120.400 0.305 0.000 2.569 172 D HA 0.200 4.840 4.640 -0.000 0.000 0.266 172 D C 0.524 176.767 176.300 -0.094 0.000 1.164 172 D CA -0.428 53.668 54.000 0.159 0.000 1.071 172 D CB 0.445 41.225 40.800 -0.034 0.000 1.183 172 D HN 0.435 nan 8.370 nan 0.000 0.613 173 D N -0.837 119.070 120.400 -0.821 0.000 6.235 173 D HA -0.297 4.343 4.640 -0.000 0.000 0.293 173 D C 1.590 177.629 176.300 -0.435 0.000 1.817 173 D CA 2.377 55.773 54.000 -1.006 0.000 0.850 173 D CB -0.038 40.541 40.800 -0.368 0.000 0.721 173 D HN 0.548 nan 8.370 nan 0.000 0.899 174 R N -1.064 119.353 120.500 -0.138 0.000 2.334 174 R HA 0.286 4.626 4.340 -0.000 0.000 0.216 174 R C 1.959 178.256 176.300 -0.006 0.000 0.905 174 R CA 0.778 56.856 56.100 -0.038 0.000 1.064 174 R CB 0.154 30.470 30.300 0.026 0.000 1.046 174 R HN 0.174 nan 8.270 nan 0.000 0.508 175 G N 0.926 109.734 108.800 0.013 0.000 3.042 175 G HA2 0.027 3.987 3.960 -0.000 0.000 0.212 175 G HA3 0.027 3.987 3.960 -0.000 0.000 0.212 175 G C 1.329 176.176 174.900 -0.089 0.000 1.166 175 G CA -0.188 44.911 45.100 -0.001 0.000 0.767 175 G HN 0.011 nan 8.290 nan 0.000 0.546 176 V N 0.955 120.881 119.914 0.020 0.000 2.250 176 V HA -0.397 3.723 4.120 -0.000 0.000 0.253 176 V C 2.801 178.879 176.094 -0.026 0.000 1.065 176 V CA 2.624 64.965 62.300 0.068 0.000 1.039 176 V CB -0.714 31.170 31.823 0.102 0.000 0.647 176 V HN 0.510 nan 8.190 nan 0.000 0.446 177 Q N -0.349 119.434 119.800 -0.029 0.000 2.082 177 Q HA -0.326 4.014 4.340 -0.000 0.000 0.211 177 Q C 2.176 178.124 176.000 -0.088 0.000 1.002 177 Q CA 2.642 58.430 55.803 -0.024 0.000 0.868 177 Q CB -0.302 28.450 28.738 0.023 0.000 0.931 177 Q HN 0.716 nan 8.270 nan 0.000 0.414 178 Q N -0.479 119.190 119.800 -0.219 0.000 1.993 178 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 178 Q C 2.246 178.049 176.000 -0.328 0.000 0.984 178 Q CA 1.853 57.432 55.803 -0.374 0.000 0.837 178 Q CB -0.742 27.461 28.738 -0.892 0.000 0.902 178 Q HN 0.353 nan 8.270 nan 0.000 0.423 179 I N 0.164 120.509 120.570 -0.374 0.000 2.091 179 I HA -0.385 3.785 4.170 -0.000 0.000 0.240 179 I C 2.215 178.325 176.117 -0.011 0.000 1.046 179 I CA 1.636 62.883 61.300 -0.087 0.000 1.306 179 I CB -1.045 36.968 38.000 0.023 0.000 1.018 179 I HN 0.392 nan 8.210 nan 0.000 0.404 180 M N -0.005 119.582 119.600 -0.022 0.000 2.084 180 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 180 M C 2.086 178.402 176.300 0.027 0.000 1.072 180 M CA 2.080 57.389 55.300 0.014 0.000 1.107 180 M CB -1.893 30.705 32.600 -0.004 0.000 1.299 180 M HN 0.356 nan 8.290 nan 0.000 0.413 181 D N 0.320 120.725 120.400 0.007 0.000 2.117 181 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 181 D C 2.018 178.343 176.300 0.042 0.000 0.987 181 D CA 2.179 56.196 54.000 0.028 0.000 0.829 181 D CB -0.942 39.874 40.800 0.027 0.000 0.961 181 D HN 0.521 nan 8.370 nan 0.000 0.460 182 T N -2.313 112.264 114.554 0.038 0.000 3.072 182 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 182 T C 0.978 175.733 174.700 0.091 0.000 1.127 182 T CA 0.819 62.963 62.100 0.073 0.000 1.107 182 T CB -0.276 68.661 68.868 0.115 0.000 0.910 182 T HN -0.015 nan 8.240 nan 0.000 0.513 183 S N 1.206 116.970 115.700 0.106 0.000 3.631 183 S HA -0.168 4.302 4.470 -0.000 0.000 0.366 183 S C -0.119 174.589 174.600 0.179 0.000 0.993 183 S CA 0.536 58.845 58.200 0.181 0.000 1.167 183 S CB -2.352 60.961 63.200 0.188 0.000 0.909 183 S HN 0.934 nan 8.310 nan 0.000 0.478 184 D N 1.193 121.690 120.400 0.163 0.000 2.730 184 D HA 0.008 4.648 4.640 -0.000 0.000 0.225 184 D C 0.371 176.753 176.300 0.137 0.000 1.107 184 D CA 1.200 55.292 54.000 0.152 0.000 0.837 184 D CB 0.347 41.260 40.800 0.187 0.000 1.171 184 D HN 0.386 nan 8.370 nan 0.000 0.498 185 K N 1.782 122.202 120.400 0.032 0.000 3.022 185 K HA 0.247 4.567 4.320 -0.000 0.000 0.178 185 K C -0.602 175.994 176.600 -0.006 0.000 1.089 185 K CA -0.321 55.948 56.287 -0.030 0.000 0.916 185 K CB 0.274 32.658 32.500 -0.193 0.000 1.159 185 K HN 0.428 nan 8.250 nan 0.000 0.592 186 T N -2.108 112.459 114.554 0.022 0.000 3.403 186 T HA 0.229 4.579 4.350 -0.000 0.000 0.308 186 T C 0.750 175.450 174.700 0.001 0.000 0.952 186 T CA -0.584 61.522 62.100 0.011 0.000 0.970 186 T CB 0.867 69.748 68.868 0.021 0.000 1.189 186 T HN 0.297 nan 8.240 nan 0.000 0.528 187 G N 1.385 110.175 108.800 -0.017 0.000 2.667 187 G HA2 0.571 4.531 3.960 -0.000 0.000 0.250 187 G HA3 0.571 4.531 3.960 -0.000 0.000 0.250 187 G C -0.479 174.383 174.900 -0.063 0.000 1.212 187 G CA -0.646 44.418 45.100 -0.059 0.000 0.874 187 G HN 0.405 nan 8.290 nan 0.000 0.561 188 R N -0.702 119.737 120.500 -0.102 0.000 2.564 188 R HA 0.267 4.607 4.340 -0.000 0.000 0.284 188 R C -1.482 174.696 176.300 -0.204 0.000 1.031 188 R CA -0.940 55.086 56.100 -0.123 0.000 0.904 188 R CB 2.020 32.267 30.300 -0.089 0.000 1.199 188 R HN 0.381 nan 8.270 nan 0.000 0.443 189 L N 4.585 125.682 121.223 -0.209 0.000 2.278 189 L HA 0.475 4.815 4.340 -0.000 0.000 0.287 189 L C -0.841 175.812 176.870 -0.363 0.000 1.072 189 L CA 0.002 54.675 54.840 -0.278 0.000 0.819 189 L CB 1.069 42.985 42.059 -0.239 0.000 1.176 189 L HN 0.410 nan 8.230 nan 0.000 0.435 190 I N 3.918 124.130 120.570 -0.596 0.000 2.740 190 I HA 0.623 4.793 4.170 -0.000 0.000 0.303 190 I C -0.117 175.587 176.117 -0.688 0.000 1.044 190 I CA -1.058 59.811 61.300 -0.717 0.000 1.064 190 I CB 1.596 38.917 38.000 -1.131 0.000 1.249 190 I HN 0.727 nan 8.210 nan 0.000 0.433 191 K N 2.128 122.342 120.400 -0.309 0.000 2.318 191 K HA 0.691 5.011 4.320 -0.000 0.000 0.249 191 K C -1.708 174.994 176.600 0.170 0.000 0.942 191 K CA -0.695 55.492 56.287 -0.168 0.000 0.808 191 K CB 2.384 34.656 32.500 -0.381 0.000 1.189 191 K HN 0.702 nan 8.250 nan 0.000 0.428 192 Y N 1.387 121.730 120.300 0.071 0.000 2.376 192 Y HA 0.318 4.868 4.550 -0.000 0.000 0.340 192 Y C -1.480 174.347 175.900 -0.122 0.000 0.965 192 Y CA -0.887 57.230 58.100 0.028 0.000 1.078 192 Y CB 1.989 40.471 38.460 0.036 0.000 1.193 192 Y HN 0.842 nan 8.280 nan 0.000 0.452 193 D N 8.251 128.227 120.400 -0.708 0.000 2.472 193 D HA 0.358 4.998 4.640 -0.000 0.000 0.234 193 D C -2.188 173.684 176.300 -0.713 0.000 1.088 193 D CA -2.622 51.050 54.000 -0.547 0.000 0.882 193 D CB 1.894 42.511 40.800 -0.304 0.000 1.037 193 D HN 0.317 nan 8.370 nan 0.000 0.520 194 P HA -0.171 nan 4.420 nan 0.000 0.216 194 P C 1.468 178.692 177.300 -0.126 0.000 1.150 194 P CA 1.089 64.066 63.100 -0.206 0.000 0.837 194 P CB 0.216 31.971 31.700 0.092 0.000 0.786 195 S N -0.933 114.699 115.700 -0.114 0.000 2.382 195 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 195 S C 1.837 176.392 174.600 -0.075 0.000 1.027 195 S CA 2.087 60.248 58.200 -0.063 0.000 0.991 195 S CB -1.768 61.404 63.200 -0.046 0.000 0.823 195 S HN 0.311 nan 8.310 nan 0.000 0.469 196 T N -1.985 112.490 114.554 -0.133 0.000 3.040 196 T HA 0.343 4.693 4.350 -0.000 0.000 0.250 196 T C 0.593 175.231 174.700 -0.102 0.000 1.058 196 T CA 0.113 62.153 62.100 -0.100 0.000 0.988 196 T CB -0.392 68.421 68.868 -0.092 0.000 0.993 196 T HN 0.471 nan 8.240 nan 0.000 0.519 197 K N 0.477 120.764 120.400 -0.189 0.000 3.274 197 K HA -0.169 4.151 4.320 -0.000 0.000 0.300 197 K C -0.423 176.190 176.600 0.022 0.000 1.230 197 K CA 0.867 57.119 56.287 -0.058 0.000 0.884 197 K CB -1.843 30.712 32.500 0.092 0.000 1.242 197 K HN 0.623 nan 8.250 nan 0.000 0.467 198 E N 0.745 120.864 120.200 -0.135 0.000 2.179 198 E HA 0.231 4.581 4.350 -0.000 0.000 0.275 198 E C -0.550 176.094 176.600 0.073 0.000 0.945 198 E CA -0.495 55.911 56.400 0.010 0.000 0.792 198 E CB 1.331 31.027 29.700 -0.007 0.000 1.125 198 E HN 0.064 nan 8.360 nan 0.000 0.397 199 T N 1.873 116.553 114.554 0.210 0.000 2.771 199 T HA 0.374 4.724 4.350 -0.000 0.000 0.291 199 T C -0.420 174.365 174.700 0.142 0.000 0.954 199 T CA -0.762 61.505 62.100 0.278 0.000 1.045 199 T CB 1.057 70.142 68.868 0.361 0.000 0.917 199 T HN 0.303 nan 8.240 nan 0.000 0.484 200 T N 3.322 117.929 114.554 0.090 0.000 2.840 200 T HA 0.407 4.757 4.350 -0.000 0.000 0.287 200 T C -0.304 174.389 174.700 -0.012 0.000 0.991 200 T CA -0.808 61.312 62.100 0.033 0.000 0.964 200 T CB 1.304 70.181 68.868 0.016 0.000 0.954 200 T HN 0.412 nan 8.240 nan 0.000 0.438 201 L N 4.439 125.659 121.223 -0.006 0.000 2.433 201 L HA 0.291 4.631 4.340 -0.000 0.000 0.275 201 L C 0.625 177.448 176.870 -0.079 0.000 1.128 201 L CA 0.186 54.998 54.840 -0.048 0.000 0.875 201 L CB -0.260 41.793 42.059 -0.011 0.000 1.171 201 L HN 0.747 nan 8.230 nan 0.000 0.463 202 L N 4.560 125.670 121.223 -0.187 0.000 2.187 202 L HA 0.181 4.521 4.340 -0.000 0.000 0.197 202 L C 0.138 176.863 176.870 -0.241 0.000 1.090 202 L CA 0.433 55.069 54.840 -0.339 0.000 0.781 202 L CB -0.094 41.532 42.059 -0.722 0.000 0.956 202 L HN 0.429 nan 8.230 nan 0.000 0.463 203 L N -0.438 120.649 121.223 -0.227 0.000 2.354 203 L HA 0.447 4.787 4.340 -0.000 0.000 0.264 203 L C -0.756 176.070 176.870 -0.074 0.000 1.008 203 L CA -0.619 54.170 54.840 -0.084 0.000 0.819 203 L CB 2.105 44.134 42.059 -0.050 0.000 1.339 203 L HN 0.073 nan 8.230 nan 0.000 0.420 204 K N -0.474 119.907 120.400 -0.032 0.000 2.466 204 K HA 0.565 4.885 4.320 -0.000 0.000 0.260 204 K C -0.710 175.880 176.600 -0.017 0.000 1.011 204 K CA -0.793 55.478 56.287 -0.028 0.000 0.871 204 K CB 1.874 34.366 32.500 -0.013 0.000 1.404 204 K HN 0.536 nan 8.250 nan 0.000 0.450 205 E N 0.609 120.799 120.200 -0.017 0.000 2.416 205 E HA -0.166 4.184 4.350 -0.000 0.000 0.249 205 E C -0.820 175.770 176.600 -0.017 0.000 1.124 205 E CA 0.352 56.742 56.400 -0.017 0.000 0.732 205 E CB -1.204 28.486 29.700 -0.017 0.000 1.286 205 E HN 0.406 nan 8.360 nan 0.000 0.394 206 L N 0.246 121.460 121.223 -0.016 0.000 2.418 206 L HA 0.282 4.622 4.340 -0.000 0.000 0.265 206 L C 0.968 177.868 176.870 0.049 0.000 1.143 206 L CA -0.582 54.257 54.840 -0.001 0.000 0.809 206 L CB 0.376 42.413 42.059 -0.037 0.000 1.124 206 L HN 0.127 nan 8.230 nan 0.000 0.456 207 H N 2.559 121.592 119.070 -0.061 0.000 2.745 207 H HA 0.230 4.786 4.556 0.000 0.000 0.235 207 H C -0.416 174.870 175.328 -0.070 0.000 1.815 207 H CA -0.778 55.238 56.048 -0.054 0.000 1.321 207 H CB -0.474 29.258 29.762 -0.050 0.000 1.716 207 H HN 0.350 nan 8.280 nan 0.000 0.546 208 V N 3.920 123.860 119.914 0.042 0.000 6.244 208 V HA -0.187 3.933 4.120 -0.000 0.000 0.295 208 V C -2.329 173.629 176.094 -0.228 0.000 0.550 208 V CA 0.257 62.485 62.300 -0.120 0.000 0.756 208 V CB -1.318 30.444 31.823 -0.102 0.000 0.665 208 V HN 0.674 nan 8.190 nan 0.000 0.592 209 P HA 0.314 nan 4.420 nan 0.000 0.271 209 P C 0.785 177.833 177.300 -0.420 0.000 1.226 209 P CA 1.154 64.106 63.100 -0.246 0.000 0.765 209 P CB 1.585 33.173 31.700 -0.187 0.000 0.835 210 G N 3.301 111.864 108.800 -0.397 0.000 2.992 210 G HA2 0.374 4.334 3.960 -0.000 0.000 0.195 210 G HA3 0.374 4.334 3.960 -0.000 0.000 0.195 210 G C 0.490 175.326 174.900 -0.106 0.000 2.032 210 G CA -0.041 44.715 45.100 -0.572 0.000 0.831 210 G HN 0.605 nan 8.290 nan 0.000 0.647 211 G N -0.492 108.329 108.800 0.035 0.000 2.554 211 G HA2 0.545 4.505 3.960 -0.000 0.000 0.238 211 G HA3 0.545 4.505 3.960 -0.000 0.000 0.238 211 G C -0.373 174.572 174.900 0.076 0.000 1.259 211 G CA 0.763 45.939 45.100 0.127 0.000 0.843 211 G HN 1.192 nan 8.290 nan 0.000 0.582 212 A N 0.961 123.843 122.820 0.103 0.000 2.408 212 A HA 0.711 5.031 4.320 -0.000 0.000 0.295 212 A C -0.753 176.889 177.584 0.096 0.000 1.040 212 A CA -0.562 51.517 52.037 0.069 0.000 0.707 212 A CB 2.160 21.197 19.000 0.061 0.000 1.235 212 A HN 0.731 nan 8.150 nan 0.000 0.418 213 E N 1.359 121.598 120.200 0.066 0.000 2.331 213 E HA 0.533 4.883 4.350 -0.000 0.000 0.275 213 E C -1.716 174.890 176.600 0.011 0.000 0.895 213 E CA -0.449 56.012 56.400 0.102 0.000 0.753 213 E CB 2.132 31.968 29.700 0.227 0.000 1.216 213 E HN 0.818 nan 8.360 nan 0.000 0.434 214 V N 3.707 123.601 119.914 -0.033 0.000 2.644 214 V HA 0.563 4.683 4.120 -0.000 0.000 0.295 214 V C -0.076 175.935 176.094 -0.138 0.000 1.053 214 V CA 0.215 62.394 62.300 -0.201 0.000 0.987 214 V CB 1.489 33.181 31.823 -0.220 0.000 1.006 214 V HN 0.885 nan 8.190 nan 0.000 0.472 215 S N 5.305 120.714 115.700 -0.485 0.000 2.600 215 S HA 0.402 4.872 4.470 -0.000 0.000 0.265 215 S C 1.313 175.731 174.600 -0.304 0.000 1.325 215 S CA 0.099 57.978 58.200 -0.536 0.000 1.002 215 S CB 1.359 63.635 63.200 -1.540 0.000 0.921 215 S HN 1.468 nan 8.310 nan 0.000 0.554 216 A N 1.130 123.817 122.820 -0.222 0.000 2.019 216 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 216 A C 1.457 178.971 177.584 -0.117 0.000 1.164 216 A CA 1.526 53.471 52.037 -0.152 0.000 0.644 216 A CB -0.781 18.130 19.000 -0.148 0.000 0.805 216 A HN 0.953 nan 8.150 nan 0.000 0.449 217 D N -2.480 117.839 120.400 -0.135 0.000 2.424 217 D HA 0.218 4.858 4.640 -0.000 0.000 0.220 217 D C 0.433 176.690 176.300 -0.072 0.000 1.150 217 D CA 0.670 54.628 54.000 -0.069 0.000 0.831 217 D CB -0.352 40.439 40.800 -0.015 0.000 0.981 217 D HN 0.162 nan 8.370 nan 0.000 0.500 218 S N -1.146 114.467 115.700 -0.145 0.000 3.084 218 S HA -0.259 4.211 4.470 -0.000 0.000 0.277 218 S C 1.480 176.029 174.600 -0.085 0.000 1.295 218 S CA 1.058 59.192 58.200 -0.110 0.000 1.170 218 S CB -2.132 61.061 63.200 -0.012 0.000 1.412 218 S HN 0.552 nan 8.310 nan 0.000 0.669 219 S N 0.653 116.298 115.700 -0.092 0.000 2.428 219 S HA 0.316 4.786 4.470 -0.000 0.000 0.230 219 S C 0.458 175.141 174.600 0.139 0.000 1.014 219 S CA 0.802 59.072 58.200 0.116 0.000 0.957 219 S CB -0.553 62.830 63.200 0.303 0.000 0.784 219 S HN 1.095 nan 8.310 nan 0.000 0.499 220 F N -0.439 119.438 119.950 -0.121 0.000 2.693 220 F HA 0.765 5.292 4.527 -0.000 0.000 0.309 220 F C -1.486 174.160 175.800 -0.258 0.000 1.129 220 F CA -1.961 55.871 58.000 -0.279 0.000 0.948 220 F CB 1.185 39.780 39.000 -0.675 0.000 1.315 220 F HN -0.108 nan 8.300 nan 0.000 0.447 221 V N 1.112 121.028 119.914 0.005 0.000 2.715 221 V HA 0.739 4.859 4.120 -0.000 0.000 0.310 221 V C -0.446 175.670 176.094 0.037 0.000 1.054 221 V CA -1.038 61.200 62.300 -0.104 0.000 0.928 221 V CB 1.429 33.093 31.823 -0.266 0.000 1.007 221 V HN 0.899 nan 8.190 nan 0.000 0.437 222 L N 3.285 124.505 121.223 -0.005 0.000 2.352 222 L HA 0.889 5.229 4.340 -0.000 0.000 0.269 222 L C -0.336 176.513 176.870 -0.036 0.000 1.034 222 L CA -0.907 53.903 54.840 -0.051 0.000 0.806 222 L CB 1.840 43.832 42.059 -0.112 0.000 1.244 222 L HN 0.578 nan 8.230 nan 0.000 0.447 223 V N 0.753 120.641 119.914 -0.044 0.000 2.888 223 V HA 0.826 4.946 4.120 -0.000 0.000 0.309 223 V C -0.766 175.302 176.094 -0.044 0.000 1.114 223 V CA -0.382 61.895 62.300 -0.038 0.000 0.940 223 V CB 2.041 33.828 31.823 -0.060 0.000 1.021 223 V HN 0.879 nan 8.190 nan 0.000 0.426 224 A N 4.179 126.978 122.820 -0.036 0.000 2.301 224 A HA 0.725 5.045 4.320 -0.000 0.000 0.298 224 A C -0.159 177.376 177.584 -0.082 0.000 1.185 224 A CA -0.396 51.614 52.037 -0.045 0.000 0.830 224 A CB 0.515 19.509 19.000 -0.009 0.000 1.112 224 A HN 0.909 nan 8.150 nan 0.000 0.508 225 E N 2.077 122.225 120.200 -0.086 0.000 2.070 225 E HA 0.241 4.591 4.350 -0.000 0.000 0.261 225 E C -0.026 176.477 176.600 -0.161 0.000 0.926 225 E CA -0.372 55.967 56.400 -0.101 0.000 0.760 225 E CB 0.403 30.068 29.700 -0.058 0.000 1.133 225 E HN 0.679 nan 8.360 nan 0.000 0.420 226 F N 3.636 123.392 119.950 -0.323 0.000 2.120 226 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 226 F C 1.100 176.591 175.800 -0.515 0.000 1.095 226 F CA 1.669 59.447 58.000 -0.369 0.000 1.249 226 F CB 0.246 39.028 39.000 -0.363 0.000 0.995 226 F HN 0.439 nan 8.300 nan 0.000 0.480 227 L N -1.453 119.414 121.223 -0.593 0.000 2.585 227 L HA 0.082 4.422 4.340 -0.000 0.000 0.226 227 L C 1.594 178.016 176.870 -0.747 0.000 1.113 227 L CA 0.341 54.650 54.840 -0.886 0.000 0.876 227 L CB -0.131 41.272 42.059 -1.092 0.000 1.072 227 L HN -0.055 nan 8.230 nan 0.000 0.468 228 S N -1.878 113.556 115.700 -0.442 0.000 2.568 228 S HA 0.100 4.570 4.470 -0.000 0.000 0.232 228 S C 0.005 174.583 174.600 -0.038 0.000 0.975 228 S CA -0.373 57.785 58.200 -0.069 0.000 0.949 228 S CB -0.211 63.056 63.200 0.111 0.000 0.829 228 S HN 0.445 nan 8.310 nan 0.000 0.479 229 H N 2.114 121.065 119.070 -0.199 0.000 2.557 229 H HA -0.181 4.375 4.556 -0.000 0.000 0.319 229 H C 0.229 175.472 175.328 -0.141 0.000 1.102 229 H CA 1.348 57.283 56.048 -0.187 0.000 1.126 229 H CB -1.432 28.230 29.762 -0.166 0.000 1.498 229 H HN 0.608 nan 8.280 nan 0.000 0.411 230 Q N -1.855 117.903 119.800 -0.069 0.000 2.482 230 Q HA 0.653 4.993 4.340 -0.000 0.000 0.286 230 Q C -1.487 174.439 176.000 -0.124 0.000 1.007 230 Q CA -1.025 54.722 55.803 -0.093 0.000 0.801 230 Q CB 1.724 30.421 28.738 -0.069 0.000 1.455 230 Q HN 0.111 nan 8.270 nan 0.000 0.398 231 I N 1.504 121.961 120.570 -0.188 0.000 2.377 231 I HA 0.461 4.631 4.170 -0.000 0.000 0.293 231 I C -0.105 175.902 176.117 -0.183 0.000 0.987 231 I CA -0.674 60.508 61.300 -0.196 0.000 1.185 231 I CB 1.365 39.165 38.000 -0.333 0.000 1.341 231 I HN 0.588 nan 8.210 nan 0.000 0.455 232 V N 4.992 124.828 119.914 -0.131 0.000 2.532 232 V HA 0.425 4.545 4.120 -0.000 0.000 0.295 232 V C 0.230 176.235 176.094 -0.149 0.000 1.041 232 V CA -0.873 61.361 62.300 -0.112 0.000 0.926 232 V CB 1.751 33.544 31.823 -0.050 0.000 0.992 232 V HN 0.796 nan 8.190 nan 0.000 0.457 233 K N 3.745 124.021 120.400 -0.206 0.000 2.263 233 K HA 0.353 4.673 4.320 -0.000 0.000 0.272 233 K C -1.525 174.955 176.600 -0.199 0.000 1.033 233 K CA -0.536 55.536 56.287 -0.359 0.000 0.884 233 K CB 0.737 32.787 32.500 -0.749 0.000 1.107 233 K HN 0.707 nan 8.250 nan 0.000 0.460 234 Y N 4.651 124.829 120.300 -0.203 0.000 2.328 234 Y HA 0.228 4.778 4.550 -0.000 0.000 0.337 234 Y C -0.933 174.941 175.900 -0.043 0.000 1.008 234 Y CA -0.693 57.372 58.100 -0.058 0.000 1.129 234 Y CB 0.738 39.185 38.460 -0.022 0.000 1.185 234 Y HN 0.566 nan 8.280 nan 0.000 0.476 235 W N 8.964 130.040 121.300 -0.373 0.000 2.358 235 W HA 0.190 4.850 4.660 0.000 0.000 0.307 235 W C -0.144 176.260 176.519 -0.192 0.000 1.203 235 W CA -0.327 56.912 57.345 -0.177 0.000 1.279 235 W CB 1.210 30.575 29.460 -0.159 0.000 1.264 235 W HN 0.797 nan 8.180 nan 0.000 0.474 236 L N 2.276 123.642 121.223 0.238 0.000 2.446 236 L HA 0.064 4.404 4.340 -0.000 0.000 0.219 236 L C 0.374 177.364 176.870 0.201 0.000 1.116 236 L CA 0.975 55.958 54.840 0.237 0.000 0.844 236 L CB -0.092 42.086 42.059 0.198 0.000 0.970 236 L HN 0.260 nan 8.230 nan 0.000 0.457 237 E N -1.505 118.844 120.200 0.248 0.000 2.392 237 E HA 0.587 4.937 4.350 -0.000 0.000 0.279 237 E C -0.344 176.354 176.600 0.162 0.000 0.964 237 E CA 0.231 56.741 56.400 0.184 0.000 0.777 237 E CB 1.952 31.752 29.700 0.166 0.000 1.249 237 E HN 0.074 nan 8.360 nan 0.000 0.449 238 G N 2.253 111.093 108.800 0.066 0.000 2.728 238 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.294 238 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.294 238 G C -2.026 172.823 174.900 -0.085 0.000 1.342 238 G CA -0.403 44.690 45.100 -0.012 0.000 0.866 238 G HN 0.524 nan 8.290 nan 0.000 0.534 239 P HA 0.160 nan 4.420 nan 0.000 0.237 239 P C 0.930 178.098 177.300 -0.219 0.000 1.178 239 P CA 0.917 63.928 63.100 -0.148 0.000 0.766 239 P CB 0.131 31.751 31.700 -0.133 0.000 0.876 240 K N 0.235 120.410 120.400 -0.375 0.000 2.675 240 K HA 0.104 4.423 4.320 -0.000 0.000 0.213 240 K C 0.376 176.856 176.600 -0.200 0.000 1.074 240 K CA -0.323 55.710 56.287 -0.422 0.000 1.172 240 K CB 0.101 32.052 32.500 -0.915 0.000 0.927 240 K HN 0.071 nan 8.250 nan 0.000 0.471 241 K N 0.481 120.815 120.400 -0.110 0.000 2.416 241 K HA 0.028 4.348 4.320 -0.000 0.000 0.283 241 K C 0.920 177.463 176.600 -0.095 0.000 1.037 241 K CA 0.906 57.173 56.287 -0.034 0.000 0.995 241 K CB 0.312 32.814 32.500 0.004 0.000 0.938 241 K HN 0.342 nan 8.250 nan 0.000 0.475 242 G N 2.579 111.215 108.800 -0.272 0.000 2.205 242 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.261 242 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.261 242 G C 0.185 174.935 174.900 -0.250 0.000 0.980 242 G CA 0.510 45.425 45.100 -0.307 0.000 0.632 242 G HN 0.670 nan 8.290 nan 0.000 0.533 243 T N 1.371 115.814 114.554 -0.184 0.000 2.919 243 T HA 0.587 4.937 4.350 -0.000 0.000 0.302 243 T C 0.501 175.184 174.700 -0.028 0.000 1.031 243 T CA 0.707 62.771 62.100 -0.059 0.000 1.127 243 T CB 1.569 70.423 68.868 -0.024 0.000 0.952 243 T HN 1.368 nan 8.240 nan 0.000 0.540 244 A N 3.428 126.288 122.820 0.068 0.000 2.330 244 A HA 0.693 5.013 4.320 -0.000 0.000 0.327 244 A C -0.122 177.530 177.584 0.114 0.000 1.155 244 A CA -0.896 51.212 52.037 0.118 0.000 0.803 244 A CB 0.916 20.010 19.000 0.156 0.000 1.208 244 A HN 0.861 nan 8.150 nan 0.000 0.477 245 E N 1.222 121.491 120.200 0.115 0.000 2.343 245 E HA 0.584 4.934 4.350 -0.000 0.000 0.270 245 E C -1.317 175.281 176.600 -0.003 0.000 0.895 245 E CA -0.985 55.462 56.400 0.079 0.000 0.767 245 E CB 1.604 31.394 29.700 0.151 0.000 1.248 245 E HN 0.236 nan 8.360 nan 0.000 0.440 246 V N 2.686 122.590 119.914 -0.016 0.000 2.508 246 V HA -0.037 4.083 4.120 -0.000 0.000 0.281 246 V C 0.832 176.873 176.094 -0.090 0.000 1.041 246 V CA -0.142 62.122 62.300 -0.059 0.000 1.016 246 V CB 0.757 32.553 31.823 -0.046 0.000 0.984 246 V HN 0.688 nan 8.190 nan 0.000 0.478 247 L N 6.121 127.248 121.223 -0.160 0.000 2.130 247 L HA 0.403 4.743 4.340 -0.000 0.000 0.200 247 L C 0.540 177.292 176.870 -0.197 0.000 1.075 247 L CA 1.666 56.385 54.840 -0.202 0.000 0.768 247 L CB 0.589 42.460 42.059 -0.314 0.000 0.933 247 L HN 0.540 nan 8.230 nan 0.000 0.451 248 V N -0.453 119.310 119.914 -0.252 0.000 3.098 248 V HA 0.357 4.477 4.120 -0.000 0.000 0.294 248 V C -1.511 174.448 176.094 -0.225 0.000 1.351 248 V CA -1.004 61.145 62.300 -0.252 0.000 0.999 248 V CB 1.966 33.556 31.823 -0.389 0.000 1.104 248 V HN 0.037 nan 8.190 nan 0.000 0.438 249 K N 4.539 124.849 120.400 -0.150 0.000 2.262 249 K HA 0.627 4.947 4.320 -0.000 0.000 0.282 249 K C -0.964 175.578 176.600 -0.095 0.000 1.066 249 K CA -0.198 56.027 56.287 -0.103 0.000 0.901 249 K CB 1.487 33.945 32.500 -0.070 0.000 1.089 249 K HN 0.596 nan 8.250 nan 0.000 0.476 250 I N 4.638 125.166 120.570 -0.070 0.000 2.498 250 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 250 I C -2.325 173.825 176.117 0.055 0.000 1.032 250 I CA -2.823 58.464 61.300 -0.023 0.000 1.073 250 I CB 1.696 39.673 38.000 -0.039 0.000 1.251 250 I HN 0.457 nan 8.210 nan 0.000 0.426 251 P HA 0.104 nan 4.420 nan 0.000 0.267 251 P C -0.170 177.217 177.300 0.144 0.000 1.209 251 P CA 0.177 63.413 63.100 0.227 0.000 0.763 251 P CB 0.086 31.835 31.700 0.082 0.000 0.816 252 N N 0.715 119.376 118.700 -0.065 0.000 2.650 252 N HA -0.145 4.595 4.740 -0.000 0.000 0.272 252 N C -2.258 173.202 175.510 -0.083 0.000 1.058 252 N CA 0.428 53.111 53.050 -0.611 0.000 0.765 252 N CB -1.081 37.148 38.487 -0.431 0.000 0.902 252 N HN 0.387 nan 8.380 nan 0.000 0.551 253 P HA 0.234 nan 4.420 nan 0.000 0.286 253 P C 0.714 178.135 177.300 0.201 0.000 1.269 253 P CA -0.087 63.077 63.100 0.107 0.000 0.787 253 P CB 1.221 32.942 31.700 0.035 0.000 0.920 254 G N 3.011 111.885 108.800 0.123 0.000 3.434 254 G HA2 0.099 4.059 3.960 -0.000 0.000 0.192 254 G HA3 0.099 4.059 3.960 -0.000 0.000 0.192 254 G C 0.094 175.055 174.900 0.102 0.000 1.704 254 G CA -0.019 45.113 45.100 0.053 0.000 0.936 254 G HN 0.499 nan 8.290 nan 0.000 0.623 255 N N -0.725 118.083 118.700 0.179 0.000 2.503 255 N HA 0.354 5.094 4.740 -0.000 0.000 0.267 255 N C -0.796 174.826 175.510 0.186 0.000 1.214 255 N CA -0.182 53.001 53.050 0.221 0.000 0.959 255 N CB 0.900 39.519 38.487 0.219 0.000 1.142 255 N HN 0.059 nan 8.380 nan 0.000 0.455 256 I N 2.475 123.168 120.570 0.205 0.000 2.418 256 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 256 I C -0.264 176.003 176.117 0.250 0.000 1.008 256 I CA -0.983 60.464 61.300 0.245 0.000 1.104 256 I CB 1.231 39.375 38.000 0.240 0.000 1.264 256 I HN 0.406 nan 8.210 nan 0.000 0.438 257 K N 4.186 124.750 120.400 0.274 0.000 2.502 257 K HA 0.465 4.785 4.320 -0.000 0.000 0.254 257 K C -0.208 176.511 176.600 0.198 0.000 0.947 257 K CA -0.744 55.689 56.287 0.243 0.000 0.834 257 K CB 2.526 35.166 32.500 0.234 0.000 1.112 257 K HN 0.709 nan 8.250 nan 0.000 0.427 258 R N 2.338 122.905 120.500 0.113 0.000 2.694 258 R HA 0.021 4.361 4.340 -0.000 0.000 0.268 258 R C 0.177 176.420 176.300 -0.094 0.000 1.061 258 R CA 0.183 56.181 56.100 -0.169 0.000 1.133 258 R CB 0.471 30.614 30.300 -0.263 0.000 1.020 258 R HN 0.747 nan 8.270 nan 0.000 0.475 259 N N 1.784 120.367 118.700 -0.195 0.000 2.531 259 N HA 0.210 4.950 4.740 -0.000 0.000 0.290 259 N C 0.139 175.568 175.510 -0.135 0.000 1.257 259 N CA -0.158 52.853 53.050 -0.066 0.000 0.863 259 N CB 1.060 39.581 38.487 0.058 0.000 1.320 259 N HN 0.505 nan 8.380 nan 0.000 0.538 260 A N -0.310 122.462 122.820 -0.081 0.000 2.024 260 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 260 A C 0.999 178.488 177.584 -0.157 0.000 1.164 260 A CA 1.748 53.723 52.037 -0.104 0.000 0.643 260 A CB -0.764 18.184 19.000 -0.086 0.000 0.806 260 A HN 0.729 nan 8.150 nan 0.000 0.451 261 D N -1.829 118.446 120.400 -0.208 0.000 2.347 261 D HA 0.267 4.907 4.640 -0.000 0.000 0.213 261 D C 1.477 177.459 176.300 -0.529 0.000 0.985 261 D CA 1.286 55.080 54.000 -0.344 0.000 0.879 261 D CB 0.111 40.690 40.800 -0.369 0.000 0.919 261 D HN 0.593 nan 8.370 nan 0.000 0.526 262 G N -0.376 108.145 108.800 -0.465 0.000 2.176 262 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 262 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 262 G C 0.248 174.725 174.900 -0.705 0.000 0.986 262 G CA -0.042 44.763 45.100 -0.491 0.000 0.643 262 G HN 0.474 nan 8.290 nan 0.000 0.522 263 H N -1.129 117.613 119.070 -0.548 0.000 2.509 263 H HA 0.667 5.223 4.556 -0.000 0.000 0.360 263 H C -0.358 174.351 175.328 -1.031 0.000 1.398 263 H CA -0.199 55.448 56.048 -0.668 0.000 1.429 263 H CB 0.586 30.124 29.762 -0.374 0.000 1.611 263 H HN 0.129 nan 8.280 nan 0.000 0.606 264 F N -0.313 119.384 119.950 -0.422 0.000 2.547 264 F HA 0.219 4.746 4.527 0.000 0.000 0.316 264 F C -1.031 174.363 175.800 -0.676 0.000 1.121 264 F CA -0.778 56.868 58.000 -0.589 0.000 0.911 264 F CB 1.109 39.503 39.000 -1.010 0.000 1.179 264 F HN 0.346 nan 8.300 nan 0.000 0.443 265 W N 3.557 124.814 121.300 -0.071 0.000 2.429 265 W HA 0.713 5.373 4.660 0.000 0.000 0.314 265 W C -0.836 175.747 176.519 0.107 0.000 1.062 265 W CA -0.965 56.388 57.345 0.014 0.000 1.211 265 W CB 1.815 31.297 29.460 0.036 0.000 1.305 265 W HN 0.340 nan 8.180 nan 0.000 0.476 266 V N 4.073 124.277 119.914 0.484 0.000 2.864 266 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 266 V C -0.283 176.015 176.094 0.339 0.000 1.073 266 V CA -0.800 61.740 62.300 0.400 0.000 0.956 266 V CB 2.095 34.195 31.823 0.462 0.000 1.023 266 V HN 0.474 nan 8.190 nan 0.000 0.435 267 S N 3.578 119.342 115.700 0.108 0.000 2.525 267 S HA 0.583 5.053 4.470 -0.000 0.000 0.278 267 S C -0.203 174.422 174.600 0.041 0.000 1.234 267 S CA -0.376 57.709 58.200 -0.191 0.000 1.058 267 S CB 1.386 63.957 63.200 -1.048 0.000 0.983 267 S HN 1.003 nan 8.310 nan 0.000 0.495 268 S N 2.187 118.053 115.700 0.278 0.000 2.667 268 S HA 0.430 4.900 4.470 -0.000 0.000 0.304 268 S C -0.607 174.189 174.600 0.326 0.000 1.135 268 S CA -0.656 57.702 58.200 0.264 0.000 1.125 268 S CB 0.234 63.586 63.200 0.252 0.000 0.996 268 S HN 0.676 nan 8.310 nan 0.000 0.474 269 S N 3.919 119.791 115.700 0.287 0.000 3.158 269 S HA 0.172 4.642 4.470 -0.000 0.000 0.215 269 S C -0.009 174.689 174.600 0.163 0.000 1.359 269 S CA -0.484 57.890 58.200 0.291 0.000 0.974 269 S CB 0.101 63.561 63.200 0.432 0.000 1.336 269 S HN 0.838 nan 8.310 nan 0.000 0.488 270 E N 2.546 122.814 120.200 0.113 0.000 2.328 270 E HA -0.019 4.331 4.350 -0.000 0.000 0.265 270 E C -0.467 176.148 176.600 0.025 0.000 1.057 270 E CA 0.063 56.503 56.400 0.067 0.000 0.916 270 E CB 0.410 30.142 29.700 0.054 0.000 0.993 270 E HN 0.471 nan 8.360 nan 0.000 0.446 271 E N 5.703 125.932 120.200 0.047 0.000 1.941 271 E HA 0.049 4.399 4.350 -0.000 0.000 0.275 271 E C 0.878 177.494 176.600 0.028 0.000 1.113 271 E CA -0.216 56.213 56.400 0.047 0.000 0.878 271 E CB 0.711 30.477 29.700 0.110 0.000 1.070 271 E HN 0.667 nan 8.360 nan 0.000 0.399 272 L N 1.921 123.152 121.223 0.013 0.000 2.079 272 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 272 L C 0.934 177.811 176.870 0.011 0.000 1.081 272 L CA 1.162 56.006 54.840 0.007 0.000 0.752 272 L CB -0.089 41.974 42.059 0.007 0.000 0.896 272 L HN 0.459 nan 8.230 nan 0.000 0.433 273 D N -0.382 120.034 120.400 0.026 0.000 2.491 273 D HA 0.159 4.799 4.640 -0.000 0.000 0.228 273 D C 1.390 177.714 176.300 0.040 0.000 1.183 273 D CA 0.744 54.763 54.000 0.032 0.000 0.827 273 D CB 0.758 41.582 40.800 0.040 0.000 0.989 273 D HN 0.372 nan 8.370 nan 0.000 0.494 274 G N 2.210 111.032 108.800 0.037 0.000 2.196 274 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.268 274 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.268 274 G C 0.315 175.250 174.900 0.058 0.000 0.975 274 G CA 0.683 45.809 45.100 0.044 0.000 0.648 274 G HN 0.549 nan 8.290 nan 0.000 0.538 275 N N -1.448 117.293 118.700 0.068 0.000 2.647 275 N HA 0.487 5.227 4.740 -0.000 0.000 0.266 275 N C 1.572 177.131 175.510 0.082 0.000 1.373 275 N CA -0.545 52.544 53.050 0.065 0.000 0.807 275 N CB 0.541 39.061 38.487 0.055 0.000 1.513 275 N HN 0.292 nan 8.380 nan 0.000 0.505 276 M N -0.336 119.267 119.600 0.004 0.000 2.229 276 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 276 M C 0.219 176.523 176.300 0.007 0.000 1.063 276 M CA 1.349 56.655 55.300 0.010 0.000 1.114 276 M CB -0.709 31.750 32.600 -0.236 0.000 1.387 276 M HN 0.449 nan 8.290 nan 0.000 0.420 277 H N 0.642 119.785 119.070 0.121 0.000 2.551 277 H HA 0.346 4.902 4.556 -0.000 0.000 0.266 277 H C 1.379 176.752 175.328 0.075 0.000 0.977 277 H CA 0.634 56.733 56.048 0.085 0.000 1.163 277 H CB -0.565 29.230 29.762 0.056 0.000 1.381 277 H HN 0.510 nan 8.280 nan 0.000 0.581 278 G N 0.623 109.518 108.800 0.159 0.000 2.508 278 G HA2 0.247 4.207 3.960 -0.000 0.000 0.278 278 G HA3 0.247 4.207 3.960 -0.000 0.000 0.278 278 G C 0.068 175.012 174.900 0.074 0.000 1.389 278 G CA -0.737 44.425 45.100 0.103 0.000 1.050 278 G HN 0.159 nan 8.290 nan 0.000 0.522 279 R N -1.539 118.986 120.500 0.043 0.000 2.590 279 R HA 0.375 4.715 4.340 -0.000 0.000 0.274 279 R C -0.701 175.590 176.300 -0.014 0.000 1.061 279 R CA -0.087 56.024 56.100 0.017 0.000 1.081 279 R CB 0.995 31.305 30.300 0.016 0.000 0.984 279 R HN 0.152 nan 8.270 nan 0.000 0.448 280 V N 2.379 122.265 119.914 -0.048 0.000 2.604 280 V HA 0.154 4.274 4.120 -0.000 0.000 0.305 280 V C -0.682 175.388 176.094 -0.040 0.000 1.043 280 V CA -0.671 61.563 62.300 -0.109 0.000 0.888 280 V CB 1.978 33.602 31.823 -0.332 0.000 0.995 280 V HN 0.653 nan 8.190 nan 0.000 0.429 281 D N 5.621 126.016 120.400 -0.009 0.000 2.462 281 D HA 0.407 5.047 4.640 -0.000 0.000 0.249 281 D C -2.654 173.692 176.300 0.076 0.000 1.117 281 D CA -1.713 52.305 54.000 0.030 0.000 0.900 281 D CB 1.837 42.655 40.800 0.030 0.000 1.039 281 D HN 0.279 nan 8.370 nan 0.000 0.516 282 P HA 0.336 nan 4.420 nan 0.000 0.293 282 P C -1.182 176.177 177.300 0.098 0.000 1.300 282 P CA -0.687 62.508 63.100 0.160 0.000 0.792 282 P CB 1.099 32.846 31.700 0.078 0.000 0.925 283 K N 1.717 122.267 120.400 0.251 0.000 2.468 283 K HA 0.611 4.931 4.320 -0.000 0.000 0.252 283 K C 0.130 176.968 176.600 0.397 0.000 0.932 283 K CA -0.666 55.738 56.287 0.195 0.000 0.794 283 K CB 1.770 34.380 32.500 0.184 0.000 1.241 283 K HN 0.398 nan 8.250 nan 0.000 0.428 284 G N 1.318 110.306 108.800 0.312 0.000 2.358 284 G HA2 0.422 4.382 3.960 -0.000 0.000 0.273 284 G HA3 0.422 4.382 3.960 -0.000 0.000 0.273 284 G C -0.543 174.725 174.900 0.614 0.000 1.215 284 G CA -0.305 45.095 45.100 0.501 0.000 0.910 284 G HN 0.354 nan 8.290 nan 0.000 0.467 285 I N 2.450 123.388 120.570 0.613 0.000 2.389 285 I HA 0.414 4.584 4.170 -0.000 0.000 0.288 285 I C 0.253 176.517 176.117 0.246 0.000 0.999 285 I CA -1.458 60.090 61.300 0.414 0.000 1.129 285 I CB 1.177 39.363 38.000 0.310 0.000 1.288 285 I HN 0.761 nan 8.210 nan 0.000 0.444 286 K N 6.362 126.593 120.400 -0.281 0.000 2.213 286 K HA 0.690 5.010 4.320 -0.000 0.000 0.270 286 K C -0.923 175.502 176.600 -0.291 0.000 1.002 286 K CA -0.261 55.535 56.287 -0.817 0.000 0.868 286 K CB 1.015 32.458 32.500 -1.762 0.000 1.093 286 K HN 0.632 nan 8.250 nan 0.000 0.454 287 F N 0.662 120.491 119.950 -0.202 0.000 2.640 287 F HA 0.576 5.103 4.527 0.000 0.000 0.324 287 F C -0.979 174.825 175.800 0.007 0.000 1.077 287 F CA -1.242 56.700 58.000 -0.097 0.000 0.965 287 F CB 0.837 39.818 39.000 -0.032 0.000 1.351 287 F HN 0.545 nan 8.300 nan 0.000 0.487 288 D N -0.719 119.818 120.400 0.229 0.000 2.392 288 D HA 0.172 4.812 4.640 -0.000 0.000 0.246 288 D C 0.541 177.046 176.300 0.342 0.000 1.013 288 D CA -0.426 53.707 54.000 0.222 0.000 0.993 288 D CB 1.118 41.946 40.800 0.047 0.000 1.219 288 D HN 0.871 nan 8.370 nan 0.000 0.538 289 E N -0.506 119.837 120.200 0.238 0.000 2.396 289 E HA -0.188 4.162 4.350 -0.000 0.000 0.200 289 E C 0.343 176.677 176.600 -0.443 0.000 1.023 289 E CA 0.981 57.325 56.400 -0.093 0.000 0.857 289 E CB -0.554 29.081 29.700 -0.108 0.000 0.775 289 E HN 0.367 nan 8.360 nan 0.000 0.525 290 F N 0.413 120.405 119.950 0.070 0.000 2.664 290 F HA 0.386 4.913 4.527 -0.000 0.000 0.303 290 F C 1.497 177.285 175.800 -0.020 0.000 1.092 290 F CA 0.059 58.063 58.000 0.008 0.000 1.305 290 F CB 0.858 39.882 39.000 0.041 0.000 1.054 290 F HN 0.136 nan 8.300 nan 0.000 0.565 291 G N 1.167 110.033 108.800 0.111 0.000 2.198 291 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 291 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 291 G C -0.282 174.647 174.900 0.049 0.000 1.042 291 G CA -0.205 44.895 45.100 0.001 0.000 0.791 291 G HN 0.473 nan 8.290 nan 0.000 0.502 292 N N -0.410 118.372 118.700 0.136 0.000 2.426 292 N HA 0.515 5.255 4.740 -0.000 0.000 0.275 292 N C 0.404 175.972 175.510 0.096 0.000 1.019 292 N CA -0.607 52.498 53.050 0.092 0.000 0.941 292 N CB 1.446 39.991 38.487 0.096 0.000 1.123 292 N HN 0.134 nan 8.380 nan 0.000 0.486 293 I N 2.732 123.339 120.570 0.062 0.000 2.618 293 I HA 0.005 4.175 4.170 -0.000 0.000 0.284 293 I C 1.352 177.480 176.117 0.019 0.000 1.146 293 I CA -0.022 61.320 61.300 0.070 0.000 1.425 293 I CB -0.197 37.836 38.000 0.054 0.000 1.383 293 I HN 0.658 nan 8.210 nan 0.000 0.562 294 L N 3.046 124.250 121.223 -0.032 0.000 2.642 294 L HA 0.439 4.778 4.340 -0.000 0.000 0.233 294 L C 0.902 177.747 176.870 -0.043 0.000 1.077 294 L CA 0.415 55.208 54.840 -0.079 0.000 0.879 294 L CB 0.336 42.273 42.059 -0.205 0.000 1.151 294 L HN 0.655 nan 8.230 nan 0.000 0.495 295 E N -0.499 119.676 120.200 -0.040 0.000 2.388 295 E HA 0.438 4.788 4.350 -0.000 0.000 0.280 295 E C -1.780 174.896 176.600 0.126 0.000 1.019 295 E CA -0.357 56.075 56.400 0.054 0.000 0.806 295 E CB 3.397 33.153 29.700 0.094 0.000 1.246 295 E HN -0.298 nan 8.360 nan 0.000 0.443 296 V N 2.617 122.641 119.914 0.184 0.000 2.488 296 V HA 0.352 4.472 4.120 -0.000 0.000 0.293 296 V C -0.665 175.551 176.094 0.202 0.000 1.027 296 V CA -0.666 61.758 62.300 0.208 0.000 0.862 296 V CB 1.591 33.497 31.823 0.139 0.000 1.008 296 V HN 0.507 nan 8.190 nan 0.000 0.428 297 I N 6.346 127.053 120.570 0.229 0.000 2.359 297 I HA 0.417 4.587 4.170 -0.000 0.000 0.284 297 I C -2.221 173.927 176.117 0.051 0.000 1.018 297 I CA -2.310 59.060 61.300 0.116 0.000 1.173 297 I CB 1.289 39.314 38.000 0.042 0.000 1.326 297 I HN 0.570 nan 8.210 nan 0.000 0.462 298 P HA 0.237 nan 4.420 nan 0.000 0.271 298 P C -0.294 176.977 177.300 -0.048 0.000 1.226 298 P CA -0.150 62.953 63.100 0.006 0.000 0.765 298 P CB 0.750 32.464 31.700 0.023 0.000 0.835 299 L N 5.785 126.942 121.223 -0.111 0.000 2.426 299 L HA 0.250 4.590 4.340 -0.000 0.000 0.271 299 L C -1.372 175.484 176.870 -0.024 0.000 1.169 299 L CA -1.751 53.007 54.840 -0.137 0.000 0.836 299 L CB -0.130 41.756 42.059 -0.288 0.000 1.112 299 L HN 0.267 nan 8.230 nan 0.000 0.465 300 P HA 0.231 nan 4.420 nan 0.000 0.276 300 P C -2.257 175.051 177.300 0.014 0.000 1.261 300 P CA -1.613 61.497 63.100 0.016 0.000 0.800 300 P CB 0.118 31.820 31.700 0.004 0.000 1.066 301 P HA -0.211 nan 4.420 nan 0.000 0.225 301 P C -0.980 176.216 177.300 -0.173 0.000 1.154 301 P CA 2.959 66.016 63.100 -0.071 0.000 0.933 301 P CB -2.126 29.535 31.700 -0.065 0.000 0.790 302 P HA -0.158 nan 4.420 nan 0.000 0.216 302 P C 1.004 177.823 177.300 -0.803 0.000 1.150 302 P CA 1.641 64.275 63.100 -0.776 0.000 0.843 302 P CB -0.520 30.452 31.700 -1.213 0.000 0.787 303 F N -1.168 118.718 119.950 -0.107 0.000 2.706 303 F HA 0.420 4.947 4.527 -0.000 0.000 0.308 303 F C 1.504 177.302 175.800 -0.003 0.000 1.095 303 F CA -0.731 57.258 58.000 -0.018 0.000 1.244 303 F CB -0.881 38.052 39.000 -0.111 0.000 1.063 303 F HN -0.192 nan 8.300 nan 0.000 0.582 304 A N 0.564 123.439 122.820 0.092 0.000 2.561 304 A HA 0.367 4.687 4.320 -0.000 0.000 0.234 304 A C 1.742 179.366 177.584 0.066 0.000 1.055 304 A CA 0.859 52.931 52.037 0.058 0.000 0.756 304 A CB -0.761 18.253 19.000 0.023 0.000 0.986 304 A HN 1.051 nan 8.150 nan 0.000 0.505 305 G N 1.235 110.063 108.800 0.048 0.000 2.196 305 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.268 305 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.268 305 G C 0.053 174.971 174.900 0.031 0.000 0.975 305 G CA 1.066 46.184 45.100 0.031 0.000 0.648 305 G HN 0.952 nan 8.290 nan 0.000 0.538 306 E N -0.584 119.669 120.200 0.087 0.000 2.263 306 E HA 0.595 4.945 4.350 -0.000 0.000 0.264 306 E C -0.044 176.657 176.600 0.169 0.000 0.923 306 E CA -1.003 55.468 56.400 0.118 0.000 0.802 306 E CB 0.866 30.702 29.700 0.227 0.000 1.228 306 E HN 0.489 nan 8.360 nan 0.000 0.417 307 H N 0.709 119.898 119.070 0.199 0.000 2.771 307 H HA 0.286 4.842 4.556 -0.000 0.000 0.364 307 H C -0.517 175.126 175.328 0.525 0.000 1.133 307 H CA 0.169 56.422 56.048 0.342 0.000 1.423 307 H CB 0.264 30.196 29.762 0.283 0.000 1.425 307 H HN 0.381 nan 8.280 nan 0.000 0.606 308 F N -1.060 119.115 119.950 0.375 0.000 2.629 308 F HA 0.469 4.996 4.527 0.000 0.000 0.316 308 F C 0.289 176.253 175.800 0.273 0.000 1.081 308 F CA -0.956 57.229 58.000 0.308 0.000 0.954 308 F CB 1.616 40.722 39.000 0.177 0.000 1.337 308 F HN 0.267 nan 8.300 nan 0.000 0.474 309 E N 0.517 120.745 120.200 0.047 0.000 2.127 309 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 309 E C -0.411 176.073 176.600 -0.193 0.000 0.964 309 E CA 0.855 57.236 56.400 -0.031 0.000 0.832 309 E CB 0.046 29.790 29.700 0.072 0.000 0.790 309 E HN 0.774 nan 8.360 nan 0.000 0.465 310 Q N -0.660 119.060 119.800 -0.134 0.000 2.472 310 Q HA 0.529 4.869 4.340 -0.000 0.000 0.281 310 Q C -1.233 174.926 176.000 0.264 0.000 0.997 310 Q CA -0.592 55.212 55.803 0.000 0.000 0.828 310 Q CB 1.763 30.566 28.738 0.107 0.000 1.443 310 Q HN 0.000 nan 8.270 nan 0.000 0.390 311 I N 1.408 122.143 120.570 0.274 0.000 2.436 311 I HA 0.623 4.793 4.170 -0.000 0.000 0.289 311 I C -1.523 174.609 176.117 0.026 0.000 1.010 311 I CA -0.003 61.382 61.300 0.141 0.000 1.098 311 I CB 1.381 39.417 38.000 0.062 0.000 1.266 311 I HN 0.898 nan 8.210 nan 0.000 0.434 312 Q N 5.209 124.999 119.800 -0.017 0.000 2.285 312 Q HA 0.435 4.775 4.340 -0.000 0.000 0.269 312 Q C -1.001 175.012 176.000 0.022 0.000 1.030 312 Q CA -0.532 55.313 55.803 0.070 0.000 0.788 312 Q CB 1.895 30.764 28.738 0.219 0.000 1.266 312 Q HN 0.929 nan 8.270 nan 0.000 0.438 313 E N 2.983 123.196 120.200 0.022 0.000 2.283 313 E HA 0.205 4.555 4.350 -0.000 0.000 0.278 313 E C -1.614 175.075 176.600 0.148 0.000 1.027 313 E CA -0.351 56.068 56.400 0.031 0.000 0.843 313 E CB 0.786 30.582 29.700 0.160 0.000 1.062 313 E HN 0.657 nan 8.360 nan 0.000 0.401 314 H N 3.755 122.815 119.070 -0.016 0.000 3.149 314 H HA 0.137 4.693 4.556 -0.000 0.000 0.334 314 H C -1.323 173.923 175.328 -0.137 0.000 1.000 314 H CA -0.494 55.431 56.048 -0.205 0.000 1.415 314 H CB 0.618 29.958 29.762 -0.703 0.000 1.819 314 H HN 0.572 nan 8.280 nan 0.000 0.486 315 D N 4.514 124.621 120.400 -0.489 0.000 2.735 315 D HA -0.165 4.475 4.640 -0.000 0.000 0.235 315 D C 1.176 177.428 176.300 -0.079 0.000 1.175 315 D CA 1.867 55.690 54.000 -0.294 0.000 0.683 315 D CB -1.264 39.333 40.800 -0.339 0.000 1.008 315 D HN 1.188 nan 8.370 nan 0.000 0.416 316 G N -0.663 108.143 108.800 0.011 0.000 2.212 316 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.267 316 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.267 316 G C 0.304 175.274 174.900 0.115 0.000 1.002 316 G CA 0.727 45.895 45.100 0.113 0.000 0.729 316 G HN 0.533 nan 8.290 nan 0.000 0.517 317 L N -0.721 120.533 121.223 0.051 0.000 2.362 317 L HA 0.645 4.985 4.340 -0.000 0.000 0.271 317 L C 0.186 176.976 176.870 -0.134 0.000 1.002 317 L CA -1.048 53.753 54.840 -0.065 0.000 0.818 317 L CB 2.057 44.038 42.059 -0.131 0.000 1.298 317 L HN -0.033 nan 8.230 nan 0.000 0.420 318 L N 2.876 123.911 121.223 -0.315 0.000 2.277 318 L HA 0.396 4.736 4.340 -0.000 0.000 0.284 318 L C -1.053 175.557 176.870 -0.433 0.000 1.028 318 L CA -0.413 54.185 54.840 -0.404 0.000 0.835 318 L CB 0.777 42.488 42.059 -0.580 0.000 1.215 318 L HN 0.400 nan 8.230 nan 0.000 0.425 319 Y N 3.204 123.277 120.300 -0.379 0.000 2.365 319 Y HA 0.268 4.818 4.550 -0.000 0.000 0.340 319 Y C 0.430 176.114 175.900 -0.359 0.000 1.016 319 Y CA -0.383 57.388 58.100 -0.548 0.000 1.196 319 Y CB 1.126 39.040 38.460 -0.911 0.000 1.167 319 Y HN 0.260 nan 8.280 nan 0.000 0.509 320 I N 3.092 123.525 120.570 -0.229 0.000 2.307 320 I HA 0.437 4.607 4.170 -0.000 0.000 0.289 320 I C 0.645 176.854 176.117 0.154 0.000 1.021 320 I CA -0.978 60.236 61.300 -0.144 0.000 1.224 320 I CB 0.625 38.230 38.000 -0.659 0.000 1.376 320 I HN 0.883 nan 8.210 nan 0.000 0.470 321 G N 2.807 111.847 108.800 0.401 0.000 2.322 321 G HA2 0.562 4.522 3.960 -0.000 0.000 0.309 321 G HA3 0.562 4.522 3.960 -0.000 0.000 0.309 321 G C -0.167 174.862 174.900 0.216 0.000 1.121 321 G CA -0.164 45.127 45.100 0.319 0.000 0.886 321 G HN 0.688 nan 8.290 nan 0.000 0.447 322 T N 1.494 116.161 114.554 0.189 0.000 2.916 322 T HA 0.442 4.792 4.350 -0.000 0.000 0.292 322 T C 0.850 175.604 174.700 0.089 0.000 1.064 322 T CA -0.746 61.519 62.100 0.275 0.000 1.011 322 T CB 1.278 70.446 68.868 0.500 0.000 1.152 322 T HN 0.212 nan 8.240 nan 0.000 0.510 323 L N 2.134 123.377 121.223 0.033 0.000 2.640 323 L HA 0.359 4.699 4.340 -0.000 0.000 0.230 323 L C -0.047 176.382 176.870 -0.734 0.000 1.123 323 L CA 0.285 54.872 54.840 -0.421 0.000 0.900 323 L CB -0.024 41.644 42.059 -0.653 0.000 1.146 323 L HN 0.620 nan 8.230 nan 0.000 0.484 324 F N -1.852 118.177 119.950 0.131 0.000 2.815 324 F HA 0.333 4.860 4.527 -0.000 0.000 0.323 324 F C 0.587 176.174 175.800 -0.354 0.000 1.151 324 F CA -0.442 57.594 58.000 0.060 0.000 1.191 324 F CB 0.269 39.329 39.000 0.099 0.000 1.069 324 F HN -0.011 nan 8.300 nan 0.000 0.514 325 H N -1.603 117.339 119.070 -0.213 0.000 2.977 325 H HA 0.475 5.031 4.556 -0.000 0.000 0.350 325 H C 0.360 175.102 175.328 -0.977 0.000 1.238 325 H CA -0.552 55.264 56.048 -0.387 0.000 1.124 325 H CB 1.892 31.604 29.762 -0.084 0.000 1.866 325 H HN -0.028 nan 8.280 nan 0.000 0.550 326 G N 0.395 108.944 108.800 -0.419 0.000 3.702 326 G HA2 0.277 4.237 3.960 -0.000 0.000 0.288 326 G HA3 0.277 4.237 3.960 -0.000 0.000 0.288 326 G C -0.496 174.358 174.900 -0.077 0.000 1.193 326 G CA -0.018 44.915 45.100 -0.278 0.000 0.952 326 G HN 0.266 nan 8.290 nan 0.000 0.544 327 S N -0.927 114.768 115.700 -0.008 0.000 2.546 327 S HA 0.458 4.928 4.470 -0.000 0.000 0.274 327 S C -0.577 174.115 174.600 0.154 0.000 1.121 327 S CA -0.462 57.777 58.200 0.064 0.000 0.887 327 S CB 2.515 65.743 63.200 0.046 0.000 1.094 327 S HN -0.005 nan 8.310 nan 0.000 0.474 328 V N 2.374 122.395 119.914 0.178 0.000 2.432 328 V HA 0.540 4.660 4.120 -0.000 0.000 0.271 328 V C 0.872 177.022 176.094 0.093 0.000 1.046 328 V CA -0.277 62.145 62.300 0.203 0.000 0.945 328 V CB 0.879 32.855 31.823 0.254 0.000 0.992 328 V HN 0.965 nan 8.190 nan 0.000 0.471 329 G N 4.395 113.258 108.800 0.103 0.000 2.322 329 G HA2 0.567 4.527 3.960 -0.000 0.000 0.309 329 G HA3 0.567 4.527 3.960 -0.000 0.000 0.309 329 G C -0.765 173.987 174.900 -0.247 0.000 1.121 329 G CA -0.223 44.908 45.100 0.051 0.000 0.886 329 G HN 0.519 nan 8.290 nan 0.000 0.447 330 I N 3.249 123.642 120.570 -0.294 0.000 2.406 330 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 330 I C 0.100 176.028 176.117 -0.316 0.000 0.999 330 I CA -0.878 60.120 61.300 -0.504 0.000 1.124 330 I CB 0.885 38.513 38.000 -0.621 0.000 1.289 330 I HN 0.478 nan 8.210 nan 0.000 0.441 331 L N 4.716 125.748 121.223 -0.320 0.000 2.289 331 L HA 0.555 4.895 4.340 -0.000 0.000 0.285 331 L C 0.002 176.770 176.870 -0.170 0.000 1.049 331 L CA -0.902 53.812 54.840 -0.209 0.000 0.804 331 L CB 1.566 43.497 42.059 -0.213 0.000 1.195 331 L HN 0.380 nan 8.230 nan 0.000 0.428 332 V N 4.066 123.927 119.914 -0.089 0.000 2.356 332 V HA 0.070 4.190 4.120 -0.000 0.000 0.258 332 V C 0.208 176.337 176.094 0.058 0.000 1.065 332 V CA -0.143 62.136 62.300 -0.036 0.000 0.935 332 V CB -0.044 31.759 31.823 -0.033 0.000 1.061 332 V HN 0.408 nan 8.190 nan 0.000 0.484 333 Y N 0.000 120.253 120.300 -0.079 0.000 2.660 333 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 333 Y CA 0.000 58.078 58.100 -0.036 0.000 1.940 333 Y CB 0.000 38.448 38.460 -0.019 0.000 1.050 333 Y HN 0.000 nan 8.280 nan 0.000 0.758