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 1y2e_1_B DATA FIRST_RESID 88 DATA SEQUENCE QEDVLAKELE DVNKWGLHVF RIAELSGNRP LTVIMHTIFQ ERDLLKTFKI DATA SEQUENCE PVDTLITYLM TLEDHYHADV AYHNNIHAAD VVQSTHVLLS TPALEAVFTD DATA SEQUENCE LEILAAIFAS AIHDVDHPGV SNQFLINTNS ELALMYNDSS VLENHHLAVG DATA SEQUENCE FKLLQEENCD IFQNLTKKQR QSLRKMVIDI VLATDMSKHM NLLADLKTMV DATA SEQUENCE ETKKVXXXXV LLLDNYSDRI QVLQNMVHCA DLSNPTKPLQ LYRQWTDRIM DATA SEQUENCE EEFFRQGDRE RERGMEISPM CDKHNASVEK SQVGFIDYIV HPLWETWADL DATA SEQUENCE VHPDAQDILD TLEDNREWYQ STIP 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 88 Q HA 0.000 nan 4.340 nan 0.000 0.214 88 Q C 0.000 175.998 176.000 -0.003 0.000 1.003 88 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 88 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 89 E N 0.997 121.195 120.200 -0.002 0.000 2.106 89 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 89 E C 0.734 177.334 176.600 -0.000 0.000 0.984 89 E CA 1.523 57.923 56.400 -0.000 0.000 0.806 89 E CB 0.153 29.854 29.700 0.001 0.000 0.750 89 E HN 0.282 nan 8.360 nan 0.000 0.458 90 D N -0.167 120.233 120.400 -0.000 0.000 2.097 90 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 90 D C 1.910 178.211 176.300 0.001 0.000 0.984 90 D CA 0.762 54.763 54.000 0.000 0.000 0.826 90 D CB -0.066 40.734 40.800 0.000 0.000 0.973 90 D HN -0.015 nan 8.370 nan 0.000 0.460 91 V N 0.753 120.668 119.914 0.001 0.000 2.515 91 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 91 V C 2.254 178.352 176.094 0.006 0.000 1.058 91 V CA 0.892 63.194 62.300 0.004 0.000 1.064 91 V CB -0.339 31.484 31.823 0.000 0.000 0.675 91 V HN 0.171 nan 8.190 nan 0.000 0.461 92 L N 1.217 122.441 121.223 0.002 0.000 2.027 92 L HA 0.004 4.344 4.340 -0.000 0.000 0.206 92 L C 2.457 179.326 176.870 -0.001 0.000 1.074 92 L CA 2.350 57.190 54.840 0.000 0.000 0.745 92 L CB -1.016 41.041 42.059 -0.003 0.000 0.898 92 L HN 0.190 nan 8.230 nan 0.000 0.433 93 A N -0.625 122.193 122.820 -0.003 0.000 1.972 93 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 93 A C 2.463 180.046 177.584 -0.003 0.000 1.169 93 A CA 1.932 53.965 52.037 -0.006 0.000 0.635 93 A CB -0.636 18.361 19.000 -0.005 0.000 0.810 93 A HN 0.515 nan 8.150 nan 0.000 0.446 94 K N -0.493 119.909 120.400 0.004 0.000 2.057 94 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 94 K C 1.750 178.359 176.600 0.015 0.000 1.050 94 K CA 1.323 57.616 56.287 0.010 0.000 0.935 94 K CB -0.124 32.385 32.500 0.015 0.000 0.715 94 K HN 0.426 nan 8.250 nan 0.000 0.439 95 E N 0.889 121.103 120.200 0.022 0.000 2.150 95 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 95 E C 2.021 178.620 176.600 -0.002 0.000 0.985 95 E CA 0.756 57.175 56.400 0.033 0.000 0.814 95 E CB -0.064 29.669 29.700 0.054 0.000 0.752 95 E HN 0.365 nan 8.360 nan 0.000 0.466 96 L N 0.836 122.053 121.223 -0.010 0.000 2.465 96 L HA -0.094 4.246 4.340 -0.000 0.000 0.224 96 L C 1.984 178.841 176.870 -0.021 0.000 1.145 96 L CA 0.531 55.357 54.840 -0.024 0.000 0.834 96 L CB -0.206 41.836 42.059 -0.029 0.000 0.944 96 L HN 0.062 nan 8.230 nan 0.000 0.451 97 E N -0.133 120.059 120.200 -0.013 0.000 2.338 97 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 97 E C 0.653 177.250 176.600 -0.006 0.000 1.007 97 E CA 0.602 56.998 56.400 -0.006 0.000 0.849 97 E CB 0.087 29.786 29.700 -0.002 0.000 0.774 97 E HN 0.393 nan 8.360 nan 0.000 0.506 98 D N -0.049 120.337 120.400 -0.023 0.000 2.325 98 D HA -0.025 4.614 4.640 -0.000 0.000 0.225 98 D C 1.366 177.659 176.300 -0.011 0.000 1.096 98 D CA 0.032 54.012 54.000 -0.034 0.000 0.844 98 D CB 0.557 41.295 40.800 -0.103 0.000 0.925 98 D HN -0.025 nan 8.370 nan 0.000 0.513 99 V N 0.901 120.819 119.914 0.007 0.000 2.720 99 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 99 V C 1.031 177.216 176.094 0.152 0.000 1.082 99 V CA 1.424 63.742 62.300 0.029 0.000 1.101 99 V CB -0.164 31.644 31.823 -0.025 0.000 0.693 99 V HN 0.172 nan 8.190 nan 0.000 0.479 100 N N 0.255 119.052 118.700 0.161 0.000 2.322 100 N HA 0.120 4.860 4.740 -0.000 0.000 0.194 100 N C 0.092 175.681 175.510 0.132 0.000 1.126 100 N CA 0.276 53.441 53.050 0.191 0.000 0.845 100 N CB 0.194 38.767 38.487 0.143 0.000 0.976 100 N HN 0.560 nan 8.380 nan 0.000 0.475 101 K N -0.413 120.054 120.400 0.111 0.000 2.203 101 K HA 0.211 4.531 4.320 -0.000 0.000 0.251 101 K C -0.615 176.077 176.600 0.154 0.000 0.944 101 K CA -0.720 55.637 56.287 0.116 0.000 0.829 101 K CB 1.962 34.491 32.500 0.049 0.000 1.125 101 K HN 0.056 nan 8.250 nan 0.000 0.430 102 W N 1.811 123.096 121.300 -0.026 0.000 2.303 102 W HA 0.122 4.781 4.660 -0.001 0.000 0.318 102 W C 0.506 176.998 176.519 -0.045 0.000 1.362 102 W CA 1.307 58.630 57.345 -0.036 0.000 1.234 102 W CB 0.840 30.271 29.460 -0.048 0.000 1.248 102 W HN 0.988 nan 8.180 nan 0.000 0.546 103 G N 4.098 112.757 108.800 -0.234 0.000 2.148 103 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.203 103 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.203 103 G C -0.372 174.426 174.900 -0.170 0.000 0.993 103 G CA -0.225 44.788 45.100 -0.144 0.000 0.661 103 G HN 0.588 nan 8.290 nan 0.000 0.518 104 L N 1.369 122.478 121.223 -0.190 0.000 2.573 104 L HA 0.298 4.637 4.340 -0.000 0.000 0.290 104 L C 0.908 177.690 176.870 -0.147 0.000 1.247 104 L CA 0.445 55.161 54.840 -0.207 0.000 0.876 104 L CB 0.007 41.980 42.059 -0.142 0.000 1.123 104 L HN 0.354 nan 8.230 nan 0.000 0.505 105 H N 4.207 123.248 119.070 -0.048 0.000 2.998 105 H HA 0.068 4.623 4.556 -0.000 0.000 0.241 105 H C 1.164 176.444 175.328 -0.081 0.000 1.852 105 H CA -0.031 55.995 56.048 -0.036 0.000 1.419 105 H CB 0.467 30.219 29.762 -0.016 0.000 1.793 105 H HN 0.621 nan 8.280 nan 0.000 0.553 106 V N 1.904 121.775 119.914 -0.072 0.000 2.490 106 V HA -0.270 3.849 4.120 -0.000 0.000 0.250 106 V C 1.383 177.291 176.094 -0.309 0.000 1.061 106 V CA 1.768 63.925 62.300 -0.238 0.000 1.064 106 V CB -0.428 31.193 31.823 -0.337 0.000 0.670 106 V HN 0.562 nan 8.190 nan 0.000 0.461 107 F N 0.540 120.428 119.950 -0.103 0.000 2.206 107 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 107 F C 2.551 178.287 175.800 -0.106 0.000 1.090 107 F CA 1.529 59.436 58.000 -0.155 0.000 1.323 107 F CB -0.590 38.267 39.000 -0.238 0.000 1.028 107 F HN 0.065 nan 8.300 nan 0.000 0.492 108 R N 0.350 120.904 120.500 0.090 0.000 2.073 108 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 108 R C 2.242 178.548 176.300 0.011 0.000 1.134 108 R CA 1.609 57.727 56.100 0.030 0.000 0.952 108 R CB -0.767 29.542 30.300 0.016 0.000 0.850 108 R HN 0.294 nan 8.270 nan 0.000 0.433 109 I N 0.965 121.537 120.570 0.003 0.000 2.208 109 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 109 I C 2.657 178.754 176.117 -0.034 0.000 1.097 109 I CA 1.295 62.583 61.300 -0.021 0.000 1.363 109 I CB -0.412 37.564 38.000 -0.040 0.000 1.051 109 I HN 0.212 nan 8.210 nan 0.000 0.413 110 A N 0.343 123.135 122.820 -0.047 0.000 1.883 110 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 110 A C 2.243 179.814 177.584 -0.022 0.000 1.186 110 A CA 1.873 53.884 52.037 -0.043 0.000 0.624 110 A CB -0.569 18.404 19.000 -0.043 0.000 0.822 110 A HN 0.462 nan 8.150 nan 0.000 0.444 111 E N -0.414 119.780 120.200 -0.009 0.000 2.046 111 E HA -0.097 4.252 4.350 -0.000 0.000 0.190 111 E C 1.966 178.558 176.600 -0.014 0.000 0.982 111 E CA 1.063 57.456 56.400 -0.011 0.000 0.800 111 E CB -0.280 29.413 29.700 -0.012 0.000 0.756 111 E HN 0.605 nan 8.360 nan 0.000 0.449 112 L N 1.161 122.376 121.223 -0.012 0.000 2.191 112 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 112 L C 2.382 179.245 176.870 -0.012 0.000 1.103 112 L CA 1.134 55.967 54.840 -0.011 0.000 0.769 112 L CB -0.243 41.812 42.059 -0.007 0.000 0.908 112 L HN 0.132 nan 8.230 nan 0.000 0.438 113 S N -0.872 114.819 115.700 -0.016 0.000 2.605 113 S HA 0.217 4.687 4.470 -0.000 0.000 0.217 113 S C 1.334 175.924 174.600 -0.017 0.000 0.958 113 S CA 0.179 58.369 58.200 -0.016 0.000 0.919 113 S CB 0.247 63.433 63.200 -0.023 0.000 0.780 113 S HN 0.476 nan 8.310 nan 0.000 0.507 114 G N 2.034 110.824 108.800 -0.016 0.000 2.256 114 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.272 114 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.272 114 G C 0.174 175.063 174.900 -0.018 0.000 1.076 114 G CA 0.006 45.097 45.100 -0.016 0.000 0.882 114 G HN 1.000 nan 8.290 nan 0.000 0.497 115 N N -1.448 117.240 118.700 -0.021 0.000 2.758 115 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 115 N C 0.724 176.215 175.510 -0.031 0.000 1.076 115 N CA 1.466 54.502 53.050 -0.024 0.000 0.696 115 N CB -0.315 38.162 38.487 -0.016 0.000 0.979 115 N HN 0.641 nan 8.380 nan 0.000 0.550 116 R N -0.342 120.135 120.500 -0.038 0.000 2.834 116 R HA 0.274 4.614 4.340 -0.000 0.000 0.362 116 R C -1.715 174.549 176.300 -0.060 0.000 1.147 116 R CA -1.076 54.996 56.100 -0.046 0.000 1.125 116 R CB 0.564 30.843 30.300 -0.035 0.000 1.361 116 R HN 0.348 nan 8.270 nan 0.000 0.598 117 P HA -0.158 nan 4.420 nan 0.000 0.217 117 P C 1.368 178.603 177.300 -0.109 0.000 1.150 117 P CA 0.639 63.682 63.100 -0.095 0.000 0.832 117 P CB 0.447 32.074 31.700 -0.122 0.000 0.787 118 L N -0.065 121.079 121.223 -0.132 0.000 2.056 118 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 118 L C 2.304 179.111 176.870 -0.104 0.000 1.078 118 L CA 2.214 56.967 54.840 -0.145 0.000 0.749 118 L CB -1.718 40.222 42.059 -0.198 0.000 0.901 118 L HN -0.097 nan 8.230 nan 0.000 0.433 119 T N -0.634 113.867 114.554 -0.089 0.000 2.708 119 T HA -0.163 4.186 4.350 -0.000 0.000 0.266 119 T C 1.897 176.578 174.700 -0.032 0.000 1.037 119 T CA 2.063 64.117 62.100 -0.075 0.000 1.146 119 T CB -0.481 68.345 68.868 -0.070 0.000 0.865 119 T HN 0.403 nan 8.240 nan 0.000 0.435 120 V N -0.485 119.417 119.914 -0.021 0.000 2.591 120 V HA 0.093 4.213 4.120 -0.000 0.000 0.249 120 V C 2.172 178.264 176.094 -0.004 0.000 1.053 120 V CA 1.112 63.420 62.300 0.014 0.000 1.068 120 V CB -0.872 30.951 31.823 0.000 0.000 0.689 120 V HN 0.439 nan 8.190 nan 0.000 0.462 121 I N -0.599 119.947 120.570 -0.039 0.000 2.406 121 I HA -0.095 4.075 4.170 -0.000 0.000 0.249 121 I C 2.771 178.867 176.117 -0.034 0.000 1.122 121 I CA 1.397 62.664 61.300 -0.056 0.000 1.431 121 I CB -0.182 37.768 38.000 -0.082 0.000 1.087 121 I HN 0.226 nan 8.210 nan 0.000 0.424 122 M N -0.393 119.191 119.600 -0.026 0.000 2.132 122 M HA -0.215 4.264 4.480 -0.000 0.000 0.263 122 M C 2.464 178.775 176.300 0.019 0.000 1.065 122 M CA 1.735 57.028 55.300 -0.012 0.000 1.122 122 M CB -1.293 31.234 32.600 -0.122 0.000 1.365 122 M HN 0.285 nan 8.290 nan 0.000 0.411 123 H N 0.480 119.482 119.070 -0.113 0.000 2.321 123 H HA -0.064 4.491 4.556 -0.000 0.000 0.300 123 H C 1.728 177.071 175.328 0.024 0.000 1.087 123 H CA 2.230 58.236 56.048 -0.070 0.000 1.319 123 H CB -0.364 29.360 29.762 -0.064 0.000 1.379 123 H HN 0.227 nan 8.280 nan 0.000 0.501 124 T N 0.685 115.207 114.554 -0.054 0.000 2.720 124 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 124 T C 2.347 177.016 174.700 -0.052 0.000 1.037 124 T CA 1.565 63.593 62.100 -0.119 0.000 1.144 124 T CB -0.251 68.559 68.868 -0.096 0.000 0.864 124 T HN 0.267 nan 8.240 nan 0.000 0.444 125 I N -0.084 120.478 120.570 -0.013 0.000 2.286 125 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 125 I C 1.926 178.137 176.117 0.157 0.000 1.104 125 I CA 1.069 62.333 61.300 -0.060 0.000 1.397 125 I CB -0.254 37.657 38.000 -0.148 0.000 1.072 125 I HN 0.135 nan 8.210 nan 0.000 0.417 126 F N 1.084 121.050 119.950 0.026 0.000 2.161 126 F HA -0.242 4.285 4.527 -0.001 0.000 0.300 126 F C 2.643 178.486 175.800 0.072 0.000 1.089 126 F CA 1.421 59.479 58.000 0.096 0.000 1.282 126 F CB -0.793 38.299 39.000 0.153 0.000 1.010 126 F HN 0.115 nan 8.300 nan 0.000 0.485 127 Q N -0.534 119.381 119.800 0.192 0.000 2.046 127 Q HA -0.225 4.115 4.340 -0.000 0.000 0.200 127 Q C 2.158 178.190 176.000 0.052 0.000 0.975 127 Q CA 1.610 57.459 55.803 0.077 0.000 0.836 127 Q CB -0.226 28.480 28.738 -0.052 0.000 0.896 127 Q HN 0.315 nan 8.270 nan 0.000 0.428 128 E N 0.891 121.116 120.200 0.042 0.000 2.110 128 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 128 E C 1.392 178.039 176.600 0.078 0.000 0.988 128 E CA 1.207 57.638 56.400 0.052 0.000 0.804 128 E CB 0.149 29.879 29.700 0.049 0.000 0.745 128 E HN 0.116 nan 8.360 nan 0.000 0.458 129 R N -0.188 120.361 120.500 0.081 0.000 2.317 129 R HA 0.048 4.388 4.340 -0.000 0.000 0.208 129 R C 0.052 176.370 176.300 0.030 0.000 0.914 129 R CA 0.658 56.799 56.100 0.068 0.000 1.060 129 R CB 0.229 30.569 30.300 0.066 0.000 1.015 129 R HN 0.114 nan 8.270 nan 0.000 0.498 130 D N -0.077 120.346 120.400 0.037 0.000 2.945 130 D HA -0.177 4.463 4.640 -0.000 0.000 0.225 130 D C 0.467 176.775 176.300 0.014 0.000 1.158 130 D CA 0.436 54.453 54.000 0.027 0.000 0.805 130 D CB -1.097 39.706 40.800 0.005 0.000 1.098 130 D HN 0.230 nan 8.370 nan 0.000 0.426 131 L N -0.626 120.611 121.223 0.024 0.000 2.141 131 L HA -0.108 4.231 4.340 -0.000 0.000 0.209 131 L C 2.395 179.369 176.870 0.173 0.000 1.094 131 L CA 0.675 55.541 54.840 0.044 0.000 0.763 131 L CB -0.250 41.689 42.059 -0.201 0.000 0.908 131 L HN 0.187 nan 8.230 nan 0.000 0.437 132 L N -0.193 121.159 121.223 0.214 0.000 2.083 132 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 132 L C 2.587 179.533 176.870 0.127 0.000 1.083 132 L CA 1.629 56.599 54.840 0.217 0.000 0.752 132 L CB -0.613 41.574 42.059 0.213 0.000 0.899 132 L HN 0.171 nan 8.230 nan 0.000 0.433 133 K N -0.769 119.672 120.400 0.069 0.000 2.044 133 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 133 K C 2.090 178.666 176.600 -0.041 0.000 1.049 133 K CA 1.516 57.815 56.287 0.020 0.000 0.945 133 K CB -0.054 32.450 32.500 0.006 0.000 0.724 133 K HN 0.193 nan 8.250 nan 0.000 0.440 134 T N 0.477 114.956 114.554 -0.124 0.000 2.720 134 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 134 T C 0.912 175.329 174.700 -0.472 0.000 1.037 134 T CA 1.372 63.258 62.100 -0.357 0.000 1.144 134 T CB -0.158 68.387 68.868 -0.540 0.000 0.864 134 T HN 0.147 nan 8.240 nan 0.000 0.444 135 F N 0.886 120.864 119.950 0.047 0.000 2.647 135 F HA 0.414 4.941 4.527 -0.000 0.000 0.300 135 F C 0.824 176.663 175.800 0.065 0.000 1.106 135 F CA -0.799 57.239 58.000 0.063 0.000 1.313 135 F CB -0.333 38.724 39.000 0.093 0.000 1.007 135 F HN -0.071 nan 8.300 nan 0.000 0.536 136 K N 0.998 121.489 120.400 0.152 0.000 3.071 136 K HA -0.219 4.101 4.320 -0.000 0.000 0.262 136 K C -0.294 176.378 176.600 0.119 0.000 0.977 136 K CA 0.356 56.710 56.287 0.111 0.000 0.721 136 K CB -1.762 30.789 32.500 0.085 0.000 1.293 136 K HN 0.358 nan 8.250 nan 0.000 0.475 137 I N 1.681 122.340 120.570 0.148 0.000 2.337 137 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 137 I C -1.827 174.339 176.117 0.081 0.000 1.046 137 I CA -2.266 59.103 61.300 0.114 0.000 1.324 137 I CB 0.424 38.525 38.000 0.169 0.000 1.409 137 I HN -0.120 nan 8.210 nan 0.000 0.494 138 P HA -0.010 nan 4.420 nan 0.000 0.268 138 P C 0.844 178.154 177.300 0.016 0.000 1.204 138 P CA -0.069 63.049 63.100 0.031 0.000 0.768 138 P CB 1.158 32.868 31.700 0.017 0.000 0.842 139 V N 3.403 123.328 119.914 0.019 0.000 2.332 139 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 139 V C 1.792 177.842 176.094 -0.073 0.000 1.055 139 V CA 2.582 64.871 62.300 -0.018 0.000 1.038 139 V CB -0.923 30.912 31.823 0.020 0.000 0.651 139 V HN 0.700 nan 8.190 nan 0.000 0.450 140 D N -1.760 118.615 120.400 -0.041 0.000 2.144 140 D HA -0.203 4.437 4.640 -0.000 0.000 0.199 140 D C 1.893 178.167 176.300 -0.042 0.000 0.984 140 D CA 1.877 55.851 54.000 -0.044 0.000 0.834 140 D CB -0.619 40.169 40.800 -0.019 0.000 0.955 140 D HN 0.479 nan 8.370 nan 0.000 0.465 141 T N 1.156 115.691 114.554 -0.032 0.000 2.777 141 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 141 T C 1.942 176.622 174.700 -0.033 0.000 1.040 141 T CA 0.782 62.867 62.100 -0.025 0.000 1.141 141 T CB -0.310 68.541 68.868 -0.029 0.000 0.868 141 T HN 0.058 nan 8.240 nan 0.000 0.444 142 L N 1.174 122.353 121.223 -0.072 0.000 2.017 142 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 142 L C 2.031 178.828 176.870 -0.121 0.000 1.073 142 L CA 1.571 56.343 54.840 -0.113 0.000 0.745 142 L CB -0.685 41.273 42.059 -0.168 0.000 0.894 142 L HN 0.125 nan 8.230 nan 0.000 0.432 143 I N -0.581 119.886 120.570 -0.172 0.000 2.179 143 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 143 I C 2.419 178.484 176.117 -0.086 0.000 1.088 143 I CA 1.668 62.867 61.300 -0.170 0.000 1.357 143 I CB -2.019 35.870 38.000 -0.185 0.000 1.051 143 I HN 0.276 nan 8.210 nan 0.000 0.409 144 T N 0.552 115.078 114.554 -0.046 0.000 2.652 144 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 144 T C 1.900 176.604 174.700 0.007 0.000 1.039 144 T CA 1.891 63.983 62.100 -0.013 0.000 1.153 144 T CB -0.647 68.225 68.868 0.007 0.000 0.863 144 T HN 0.341 nan 8.240 nan 0.000 0.428 145 Y N 1.653 121.910 120.300 -0.070 0.000 2.181 145 Y HA -0.050 4.499 4.550 -0.001 0.000 0.288 145 Y C 2.041 177.910 175.900 -0.052 0.000 1.146 145 Y CA 1.037 59.104 58.100 -0.055 0.000 1.164 145 Y CB -0.561 37.856 38.460 -0.071 0.000 0.982 145 Y HN 0.127 nan 8.280 nan 0.000 0.515 146 L N -0.593 120.541 121.223 -0.148 0.000 2.046 146 L HA -0.282 4.057 4.340 -0.000 0.000 0.208 146 L C 2.542 179.290 176.870 -0.205 0.000 1.077 146 L CA 1.740 56.449 54.840 -0.218 0.000 0.747 146 L CB -0.500 41.478 42.059 -0.135 0.000 0.896 146 L HN 0.336 nan 8.230 nan 0.000 0.432 147 M N -1.189 118.328 119.600 -0.139 0.000 2.132 147 M HA -0.160 4.319 4.480 -0.000 0.000 0.263 147 M C 2.261 178.516 176.300 -0.076 0.000 1.065 147 M CA 1.771 57.018 55.300 -0.088 0.000 1.122 147 M CB -0.553 32.011 32.600 -0.059 0.000 1.365 147 M HN 0.209 nan 8.290 nan 0.000 0.411 148 T N 1.208 115.695 114.554 -0.111 0.000 2.821 148 T HA -0.120 4.229 4.350 -0.000 0.000 0.267 148 T C 1.692 176.354 174.700 -0.063 0.000 1.046 148 T CA 1.085 63.152 62.100 -0.056 0.000 1.139 148 T CB -0.271 68.550 68.868 -0.079 0.000 0.871 148 T HN 0.237 nan 8.240 nan 0.000 0.454 149 L N 1.400 122.434 121.223 -0.316 0.000 2.017 149 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 149 L C 2.410 179.303 176.870 0.038 0.000 1.073 149 L CA 1.930 56.599 54.840 -0.286 0.000 0.745 149 L CB -0.625 41.108 42.059 -0.544 0.000 0.894 149 L HN 0.224 nan 8.230 nan 0.000 0.432 150 E N -0.760 119.458 120.200 0.029 0.000 2.110 150 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 150 E C 1.659 178.353 176.600 0.156 0.000 0.988 150 E CA 1.431 57.904 56.400 0.120 0.000 0.804 150 E CB -0.043 29.656 29.700 -0.002 0.000 0.745 150 E HN 0.536 nan 8.360 nan 0.000 0.458 151 D N -0.551 119.907 120.400 0.097 0.000 2.218 151 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 151 D C 1.167 177.457 176.300 -0.016 0.000 0.976 151 D CA 1.014 55.035 54.000 0.036 0.000 0.853 151 D CB -0.175 40.624 40.800 -0.002 0.000 0.939 151 D HN 0.381 nan 8.370 nan 0.000 0.481 152 H N -1.712 117.371 119.070 0.022 0.000 2.539 152 H HA 0.117 4.672 4.556 -0.000 0.000 0.267 152 H C -0.181 175.164 175.328 0.027 0.000 0.982 152 H CA 0.029 56.077 56.048 0.000 0.000 1.146 152 H CB -0.117 29.604 29.762 -0.069 0.000 1.382 152 H HN 0.141 nan 8.280 nan 0.000 0.577 153 Y N 0.777 121.174 120.300 0.162 0.000 2.309 153 Y HA 0.080 4.630 4.550 -0.000 0.000 0.327 153 Y C 0.707 176.752 175.900 0.242 0.000 1.172 153 Y CA -0.167 58.040 58.100 0.178 0.000 1.280 153 Y CB 0.499 39.002 38.460 0.071 0.000 1.234 153 Y HN 0.239 nan 8.280 nan 0.000 0.512 154 H N 2.126 121.310 119.070 0.190 0.000 2.742 154 H HA 0.216 4.772 4.556 -0.001 0.000 0.302 154 H C 0.490 175.882 175.328 0.107 0.000 1.069 154 H CA -0.066 56.054 56.048 0.120 0.000 1.446 154 H CB 1.449 31.282 29.762 0.119 0.000 1.462 154 H HN 0.971 nan 8.280 nan 0.000 0.499 155 A N 3.367 126.278 122.820 0.153 0.000 1.972 155 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 155 A C 1.637 179.275 177.584 0.090 0.000 1.169 155 A CA 1.633 53.725 52.037 0.092 0.000 0.635 155 A CB -0.144 18.879 19.000 0.038 0.000 0.810 155 A HN 0.819 nan 8.150 nan 0.000 0.446 156 D N -0.865 119.600 120.400 0.108 0.000 2.325 156 D HA 0.145 4.785 4.640 -0.000 0.000 0.225 156 D C -0.120 176.252 176.300 0.119 0.000 1.096 156 D CA -0.066 53.990 54.000 0.093 0.000 0.844 156 D CB -0.355 40.489 40.800 0.073 0.000 0.925 156 D HN 0.102 nan 8.370 nan 0.000 0.513 157 V N 1.300 121.306 119.914 0.154 0.000 2.370 157 V HA 0.456 4.575 4.120 -0.000 0.000 0.279 157 V C 1.461 177.617 176.094 0.103 0.000 1.029 157 V CA -0.283 62.101 62.300 0.141 0.000 0.870 157 V CB 1.039 32.964 31.823 0.170 0.000 0.984 157 V HN 0.219 nan 8.190 nan 0.000 0.451 158 A N 4.208 127.074 122.820 0.077 0.000 1.933 158 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 158 A C 1.772 179.399 177.584 0.071 0.000 1.175 158 A CA 1.885 53.953 52.037 0.052 0.000 0.628 158 A CB -0.312 18.702 19.000 0.023 0.000 0.814 158 A HN 0.907 nan 8.150 nan 0.000 0.444 159 Y N -1.119 119.140 120.300 -0.069 0.000 2.447 159 Y HA 0.202 4.751 4.550 -0.001 0.000 0.286 159 Y C 0.775 176.529 175.900 -0.244 0.000 1.153 159 Y CA 0.566 58.571 58.100 -0.158 0.000 1.241 159 Y CB 0.214 38.433 38.460 -0.401 0.000 1.284 159 Y HN 0.357 nan 8.280 nan 0.000 0.520 160 H N 2.025 121.077 119.070 -0.030 0.000 2.998 160 H HA 0.191 4.746 4.556 -0.000 0.000 0.241 160 H C -0.762 174.588 175.328 0.037 0.000 1.852 160 H CA -0.160 55.796 56.048 -0.154 0.000 1.419 160 H CB -0.827 28.588 29.762 -0.578 0.000 1.793 160 H HN 0.405 nan 8.280 nan 0.000 0.553 161 N N -0.737 118.035 118.700 0.120 0.000 3.201 161 N HA 0.043 4.783 4.740 -0.000 0.000 0.344 161 N C 0.980 176.406 175.510 -0.139 0.000 1.465 161 N CA -0.941 52.204 53.050 0.159 0.000 0.731 161 N CB 0.281 38.830 38.487 0.103 0.000 1.677 161 N HN 0.125 nan 8.380 nan 0.000 0.631 162 N N 0.199 118.761 118.700 -0.229 0.000 2.223 162 N HA -0.124 4.615 4.740 -0.000 0.000 0.185 162 N C 1.219 176.516 175.510 -0.354 0.000 1.016 162 N CA 1.343 54.084 53.050 -0.514 0.000 0.863 162 N CB -0.608 37.736 38.487 -0.239 0.000 0.983 162 N HN 0.687 nan 8.380 nan 0.000 0.429 163 I N 0.204 120.670 120.570 -0.174 0.000 2.315 163 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 163 I C 2.586 178.674 176.117 -0.048 0.000 1.117 163 I CA 1.334 62.562 61.300 -0.119 0.000 1.404 163 I CB -0.527 37.427 38.000 -0.078 0.000 1.071 163 I HN 0.180 nan 8.210 nan 0.000 0.419 164 H N 1.597 120.572 119.070 -0.159 0.000 2.357 164 H HA -0.070 4.486 4.556 -0.001 0.000 0.301 164 H C 2.163 177.315 175.328 -0.294 0.000 1.082 164 H CA 1.598 57.423 56.048 -0.372 0.000 1.342 164 H CB -0.030 29.384 29.762 -0.580 0.000 1.389 164 H HN 0.250 nan 8.280 nan 0.000 0.511 165 A N 1.146 123.682 122.820 -0.474 0.000 1.865 165 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 165 A C 2.675 180.047 177.584 -0.353 0.000 1.191 165 A CA 2.063 53.828 52.037 -0.453 0.000 0.623 165 A CB -1.520 17.026 19.000 -0.756 0.000 0.826 165 A HN 0.644 nan 8.150 nan 0.000 0.444 166 A N -0.130 122.496 122.820 -0.323 0.000 1.902 166 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 166 A C 1.838 179.286 177.584 -0.227 0.000 1.181 166 A CA 2.279 54.177 52.037 -0.232 0.000 0.623 166 A CB -0.767 18.112 19.000 -0.202 0.000 0.818 166 A HN 0.587 nan 8.150 nan 0.000 0.443 167 D N -0.476 119.765 120.400 -0.266 0.000 2.123 167 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 167 D C 1.736 177.839 176.300 -0.327 0.000 0.992 167 D CA 1.672 55.503 54.000 -0.281 0.000 0.833 167 D CB -0.119 40.510 40.800 -0.285 0.000 0.954 167 D HN 0.154 nan 8.370 nan 0.000 0.455 168 V N -0.233 119.438 119.914 -0.405 0.000 2.427 168 V HA -0.169 3.950 4.120 -0.000 0.000 0.248 168 V C 2.640 178.599 176.094 -0.224 0.000 1.051 168 V CA 1.108 63.187 62.300 -0.367 0.000 1.048 168 V CB -0.279 31.227 31.823 -0.528 0.000 0.666 168 V HN 0.154 nan 8.190 nan 0.000 0.456 169 V N -0.131 119.677 119.914 -0.176 0.000 2.287 169 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 169 V C 2.538 178.623 176.094 -0.015 0.000 1.053 169 V CA 2.350 64.608 62.300 -0.071 0.000 1.027 169 V CB -0.586 31.205 31.823 -0.054 0.000 0.646 169 V HN 0.562 nan 8.190 nan 0.000 0.447 170 Q N -0.333 119.431 119.800 -0.059 0.000 2.123 170 Q HA -0.139 4.201 4.340 -0.000 0.000 0.199 170 Q C 2.368 178.392 176.000 0.040 0.000 0.966 170 Q CA 1.925 57.728 55.803 -0.000 0.000 0.845 170 Q CB -0.044 28.651 28.738 -0.071 0.000 0.907 170 Q HN 0.672 nan 8.270 nan 0.000 0.439 171 S N -0.000 115.654 115.700 -0.076 0.000 2.368 171 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 171 S C 1.984 176.691 174.600 0.179 0.000 1.029 171 S CA 1.513 59.698 58.200 -0.025 0.000 0.988 171 S CB -0.377 62.687 63.200 -0.227 0.000 0.838 171 S HN 0.426 nan 8.310 nan 0.000 0.462 172 T N 0.948 115.539 114.554 0.062 0.000 2.720 172 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 172 T C 1.727 176.490 174.700 0.105 0.000 1.037 172 T CA 1.882 64.008 62.100 0.043 0.000 1.144 172 T CB -0.482 68.377 68.868 -0.016 0.000 0.864 172 T HN 0.619 nan 8.240 nan 0.000 0.444 173 H N 0.816 119.919 119.070 0.054 0.000 2.352 173 H HA -0.052 4.504 4.556 -0.001 0.000 0.299 173 H C 1.983 177.378 175.328 0.112 0.000 1.097 173 H CA 1.676 57.767 56.048 0.073 0.000 1.311 173 H CB -0.561 29.239 29.762 0.064 0.000 1.377 173 H HN 0.155 nan 8.280 nan 0.000 0.504 174 V N 0.696 120.643 119.914 0.055 0.000 2.358 174 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 174 V C 2.736 178.880 176.094 0.082 0.000 1.047 174 V CA 1.731 64.074 62.300 0.070 0.000 1.035 174 V CB -0.617 31.428 31.823 0.370 0.000 0.658 174 V HN 0.425 nan 8.190 nan 0.000 0.452 175 L N -0.708 120.605 121.223 0.151 0.000 2.131 175 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 175 L C 2.362 179.320 176.870 0.148 0.000 1.092 175 L CA 1.399 56.322 54.840 0.137 0.000 0.759 175 L CB -0.486 41.600 42.059 0.046 0.000 0.903 175 L HN 0.324 nan 8.230 nan 0.000 0.435 176 L N -0.971 120.297 121.223 0.074 0.000 2.201 176 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 176 L C 2.136 179.055 176.870 0.081 0.000 1.105 176 L CA 0.752 55.643 54.840 0.085 0.000 0.775 176 L CB -0.192 41.887 42.059 0.034 0.000 0.913 176 L HN 0.168 nan 8.230 nan 0.000 0.440 177 S N -1.793 113.910 115.700 0.004 0.000 2.631 177 S HA -0.013 4.456 4.470 -0.000 0.000 0.217 177 S C 0.892 175.509 174.600 0.028 0.000 0.958 177 S CA -0.025 58.171 58.200 -0.006 0.000 0.920 177 S CB -0.186 62.963 63.200 -0.086 0.000 0.776 177 S HN 0.296 nan 8.310 nan 0.000 0.517 178 T N 3.636 118.231 114.554 0.069 0.000 2.934 178 T HA 0.076 4.425 4.350 -0.000 0.000 0.306 178 T C -1.620 173.100 174.700 0.033 0.000 1.042 178 T CA -1.302 60.835 62.100 0.061 0.000 1.145 178 T CB 0.649 69.589 68.868 0.119 0.000 0.982 178 T HN 0.020 nan 8.240 nan 0.000 0.544 179 P HA -0.082 nan 4.420 nan 0.000 0.216 179 P C 1.135 178.424 177.300 -0.019 0.000 1.150 179 P CA 1.140 64.235 63.100 -0.008 0.000 0.843 179 P CB 0.003 31.692 31.700 -0.019 0.000 0.787 180 A N -1.352 121.448 122.820 -0.033 0.000 2.172 180 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 180 A C 1.727 179.274 177.584 -0.062 0.000 1.154 180 A CA 1.085 53.086 52.037 -0.060 0.000 0.701 180 A CB -1.217 17.725 19.000 -0.096 0.000 0.789 180 A HN 0.199 nan 8.150 nan 0.000 0.465 181 L N -0.711 120.502 121.223 -0.017 0.000 2.959 181 L HA 0.197 4.537 4.340 -0.000 0.000 0.259 181 L C 0.518 177.390 176.870 0.004 0.000 1.185 181 L CA -0.300 54.538 54.840 -0.004 0.000 0.998 181 L CB 0.134 42.281 42.059 0.146 0.000 1.337 181 L HN 0.382 nan 8.230 nan 0.000 0.555 182 E N 1.709 121.907 120.200 -0.005 0.000 2.415 182 E HA 0.141 4.491 4.350 -0.000 0.000 0.260 182 E C 1.118 177.705 176.600 -0.022 0.000 1.016 182 E CA 0.770 57.171 56.400 0.002 0.000 0.924 182 E CB 0.498 30.195 29.700 -0.005 0.000 0.961 182 E HN 0.320 nan 8.360 nan 0.000 0.459 183 A N 2.917 125.736 122.820 -0.002 0.000 2.899 183 A HA -0.222 4.098 4.320 -0.000 0.000 0.257 183 A C 1.045 178.589 177.584 -0.067 0.000 1.335 183 A CA 0.999 53.027 52.037 -0.015 0.000 0.924 183 A CB -2.089 16.899 19.000 -0.019 0.000 1.105 183 A HN 0.486 nan 8.150 nan 0.000 0.765 184 V N -1.700 118.128 119.914 -0.143 0.000 2.379 184 V HA 0.105 4.225 4.120 -0.000 0.000 0.243 184 V C 1.235 177.086 176.094 -0.405 0.000 1.035 184 V CA 1.839 63.926 62.300 -0.355 0.000 1.035 184 V CB -0.366 31.096 31.823 -0.601 0.000 0.673 184 V HN 0.526 nan 8.190 nan 0.000 0.457 185 F N 0.731 120.698 119.950 0.029 0.000 2.399 185 F HA 0.473 4.999 4.527 -0.001 0.000 0.328 185 F C 1.020 176.850 175.800 0.050 0.000 1.084 185 F CA -0.895 57.131 58.000 0.044 0.000 1.053 185 F CB 0.707 39.739 39.000 0.053 0.000 1.209 185 F HN -0.016 nan 8.300 nan 0.000 0.502 186 T N -2.329 112.383 114.554 0.263 0.000 2.816 186 T HA 0.134 4.484 4.350 -0.000 0.000 0.282 186 T C 0.769 175.588 174.700 0.198 0.000 0.993 186 T CA -0.729 61.479 62.100 0.180 0.000 0.994 186 T CB 0.791 69.754 68.868 0.158 0.000 1.025 186 T HN 0.500 nan 8.240 nan 0.000 0.529 187 D N -0.170 120.339 120.400 0.182 0.000 2.144 187 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 187 D C 1.890 178.432 176.300 0.402 0.000 0.984 187 D CA 0.760 54.907 54.000 0.245 0.000 0.834 187 D CB -0.175 40.692 40.800 0.112 0.000 0.955 187 D HN 0.378 nan 8.370 nan 0.000 0.465 188 L N 1.194 122.639 121.223 0.370 0.000 2.093 188 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 188 L C 1.988 178.899 176.870 0.069 0.000 1.085 188 L CA 1.557 56.498 54.840 0.168 0.000 0.755 188 L CB -0.179 41.947 42.059 0.110 0.000 0.904 188 L HN -0.079 nan 8.230 nan 0.000 0.435 189 E N -0.648 119.627 120.200 0.126 0.000 2.107 189 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 189 E C 2.262 178.871 176.600 0.014 0.000 0.982 189 E CA 1.305 57.759 56.400 0.091 0.000 0.809 189 E CB -0.101 29.715 29.700 0.194 0.000 0.756 189 E HN 0.514 nan 8.360 nan 0.000 0.459 190 I N 0.726 121.333 120.570 0.062 0.000 2.202 190 I HA -0.249 3.920 4.170 -0.000 0.000 0.242 190 I C 2.386 178.525 176.117 0.036 0.000 1.091 190 I CA 0.561 61.882 61.300 0.036 0.000 1.368 190 I CB -0.073 37.984 38.000 0.095 0.000 1.058 190 I HN 0.144 nan 8.210 nan 0.000 0.410 191 L N 1.044 122.293 121.223 0.043 0.000 2.083 191 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 191 L C 2.512 179.427 176.870 0.075 0.000 1.083 191 L CA 2.109 56.949 54.840 -0.001 0.000 0.752 191 L CB -0.711 41.254 42.059 -0.156 0.000 0.899 191 L HN 0.192 nan 8.230 nan 0.000 0.433 192 A N -0.501 122.334 122.820 0.026 0.000 1.902 192 A HA -0.090 4.229 4.320 -0.000 0.000 0.217 192 A C 2.439 180.101 177.584 0.130 0.000 1.181 192 A CA 1.800 53.881 52.037 0.074 0.000 0.623 192 A CB -1.156 17.860 19.000 0.027 0.000 0.818 192 A HN 0.570 nan 8.150 nan 0.000 0.443 193 A N -0.433 122.418 122.820 0.052 0.000 1.930 193 A HA 0.024 4.343 4.320 -0.000 0.000 0.217 193 A C 2.102 179.727 177.584 0.068 0.000 1.175 193 A CA 1.392 53.439 52.037 0.017 0.000 0.627 193 A CB -0.495 18.453 19.000 -0.087 0.000 0.815 193 A HN 0.487 nan 8.150 nan 0.000 0.443 194 I N -2.101 118.543 120.570 0.124 0.000 2.286 194 I HA -0.145 4.024 4.170 -0.000 0.000 0.245 194 I C 2.298 178.572 176.117 0.262 0.000 1.104 194 I CA 1.195 62.602 61.300 0.179 0.000 1.397 194 I CB -0.261 37.866 38.000 0.213 0.000 1.072 194 I HN 0.440 nan 8.210 nan 0.000 0.417 195 F N 1.873 121.943 119.950 0.200 0.000 2.146 195 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 195 F C 2.484 178.370 175.800 0.143 0.000 1.096 195 F CA 1.384 59.527 58.000 0.239 0.000 1.275 195 F CB -0.280 38.918 39.000 0.329 0.000 1.008 195 F HN -0.006 nan 8.300 nan 0.000 0.480 196 A N -0.397 122.536 122.820 0.189 0.000 1.908 196 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 196 A C 2.353 179.931 177.584 -0.010 0.000 1.181 196 A CA 2.182 54.251 52.037 0.053 0.000 0.627 196 A CB -1.313 17.748 19.000 0.102 0.000 0.818 196 A HN 0.451 nan 8.150 nan 0.000 0.445 197 S N -0.276 115.416 115.700 -0.013 0.000 2.368 197 S HA -0.031 4.438 4.470 -0.000 0.000 0.225 197 S C 2.288 176.896 174.600 0.013 0.000 1.030 197 S CA 1.167 59.326 58.200 -0.068 0.000 0.999 197 S CB -0.450 62.699 63.200 -0.085 0.000 0.844 197 S HN 0.813 nan 8.310 nan 0.000 0.459 198 A N 1.771 124.569 122.820 -0.036 0.000 1.898 198 A HA -0.014 4.305 4.320 -0.000 0.000 0.216 198 A C 2.073 179.646 177.584 -0.019 0.000 1.181 198 A CA 1.457 53.461 52.037 -0.055 0.000 0.620 198 A CB -0.673 18.282 19.000 -0.076 0.000 0.819 198 A HN 0.682 nan 8.150 nan 0.000 0.442 199 I N -3.079 117.392 120.570 -0.165 0.000 3.793 199 I HA 0.042 4.212 4.170 -0.000 0.000 0.315 199 I C 1.952 178.013 176.117 -0.094 0.000 1.275 199 I CA 0.795 61.993 61.300 -0.170 0.000 1.214 199 I CB -0.532 37.209 38.000 -0.432 0.000 1.018 199 I HN 0.492 nan 8.210 nan 0.000 0.439 200 H N 0.952 119.966 119.070 -0.093 0.000 2.489 200 H HA -0.132 4.423 4.556 -0.001 0.000 0.295 200 H C 0.080 175.263 175.328 -0.242 0.000 1.082 200 H CA 1.611 57.614 56.048 -0.075 0.000 1.295 200 H CB -0.181 29.567 29.762 -0.023 0.000 1.380 200 H HN 0.415 nan 8.280 nan 0.000 0.548 201 D N 1.071 120.954 120.400 -0.862 0.000 2.599 201 D HA 0.128 4.767 4.640 -0.000 0.000 0.249 201 D C -0.205 175.636 176.300 -0.765 0.000 1.313 201 D CA -0.288 53.048 54.000 -1.107 0.000 0.815 201 D CB 0.813 41.342 40.800 -0.452 0.000 1.077 201 D HN 0.114 nan 8.370 nan 0.000 0.492 202 V N 1.346 120.810 119.914 -0.750 0.000 2.763 202 V HA 0.004 4.123 4.120 -0.000 0.000 0.306 202 V C 0.764 176.666 176.094 -0.321 0.000 1.059 202 V CA 0.716 62.404 62.300 -1.020 0.000 1.138 202 V CB 0.906 32.323 31.823 -0.678 0.000 0.940 202 V HN 0.355 nan 8.190 nan 0.000 0.489 203 D N 2.942 123.178 120.400 -0.273 0.000 2.945 203 D HA -0.222 4.418 4.640 -0.000 0.000 0.225 203 D C 0.173 176.462 176.300 -0.017 0.000 1.158 203 D CA 1.228 55.271 54.000 0.070 0.000 0.805 203 D CB -1.544 39.378 40.800 0.203 0.000 1.098 203 D HN 0.862 nan 8.370 nan 0.000 0.426 204 H N -0.064 118.900 119.070 -0.176 0.000 2.929 204 H HA 0.138 4.694 4.556 -0.000 0.000 0.317 204 H C -1.533 173.529 175.328 -0.444 0.000 1.031 204 H CA -0.368 55.613 56.048 -0.112 0.000 1.466 204 H CB 1.258 30.992 29.762 -0.045 0.000 1.482 204 H HN 0.129 nan 8.280 nan 0.000 0.561 205 P HA 0.099 nan 4.420 nan 0.000 0.249 205 P C 0.654 178.005 177.300 0.086 0.000 1.229 205 P CA 1.047 64.100 63.100 -0.077 0.000 0.788 205 P CB 0.533 32.231 31.700 -0.002 0.000 1.072 206 G N -0.320 108.649 108.800 0.281 0.000 2.132 206 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.234 206 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.234 206 G C -0.002 174.969 174.900 0.118 0.000 0.989 206 G CA 0.074 45.304 45.100 0.218 0.000 0.676 206 G HN 0.533 nan 8.290 nan 0.000 0.522 207 V N -1.823 118.134 119.914 0.071 0.000 2.914 207 V HA 0.950 5.069 4.120 -0.000 0.000 0.314 207 V C 0.575 176.698 176.094 0.049 0.000 1.084 207 V CA -0.210 62.043 62.300 -0.077 0.000 0.963 207 V CB 1.557 33.141 31.823 -0.399 0.000 1.025 207 V HN 1.418 nan 8.190 nan 0.000 0.432 208 S N 1.829 117.567 115.700 0.064 0.000 2.614 208 S HA 0.252 4.722 4.470 -0.000 0.000 0.265 208 S C 0.824 175.479 174.600 0.090 0.000 1.303 208 S CA -0.066 58.186 58.200 0.087 0.000 1.000 208 S CB 0.588 63.822 63.200 0.056 0.000 0.935 208 S HN 0.804 nan 8.310 nan 0.000 0.551 209 N N 0.943 119.673 118.700 0.049 0.000 2.094 209 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 209 N C 1.730 177.274 175.510 0.056 0.000 1.023 209 N CA 1.705 54.775 53.050 0.033 0.000 0.857 209 N CB -0.787 37.713 38.487 0.022 0.000 1.013 209 N HN 0.777 nan 8.380 nan 0.000 0.426 210 Q N 0.041 119.878 119.800 0.062 0.000 2.084 210 Q HA -0.052 4.287 4.340 -0.000 0.000 0.202 210 Q C 1.856 177.901 176.000 0.074 0.000 0.978 210 Q CA 1.167 57.001 55.803 0.051 0.000 0.844 210 Q CB -0.572 28.187 28.738 0.035 0.000 0.898 210 Q HN 0.425 nan 8.270 nan 0.000 0.426 211 F N -0.254 119.682 119.950 -0.024 0.000 2.134 211 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 211 F C 1.507 177.297 175.800 -0.016 0.000 1.097 211 F CA 1.212 59.202 58.000 -0.017 0.000 1.264 211 F CB -0.144 38.851 39.000 -0.008 0.000 1.001 211 F HN 0.092 nan 8.300 nan 0.000 0.479 212 L N -0.102 121.229 121.223 0.181 0.000 2.083 212 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 212 L C 2.451 179.292 176.870 -0.048 0.000 1.083 212 L CA 1.363 56.239 54.840 0.060 0.000 0.752 212 L CB -0.661 41.439 42.059 0.069 0.000 0.899 212 L HN 0.207 nan 8.230 nan 0.000 0.433 213 I N -0.183 120.367 120.570 -0.034 0.000 2.202 213 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 213 I C 2.105 178.170 176.117 -0.087 0.000 1.091 213 I CA 1.064 62.338 61.300 -0.044 0.000 1.368 213 I CB -0.343 37.647 38.000 -0.018 0.000 1.058 213 I HN 0.303 nan 8.210 nan 0.000 0.410 214 N N 0.325 118.952 118.700 -0.122 0.000 2.309 214 N HA -0.122 4.617 4.740 -0.000 0.000 0.182 214 N C 1.620 177.002 175.510 -0.215 0.000 1.018 214 N CA 1.798 54.757 53.050 -0.152 0.000 0.876 214 N CB -0.524 37.872 38.487 -0.151 0.000 0.972 214 N HN 0.447 nan 8.380 nan 0.000 0.434 215 T N -2.029 112.333 114.554 -0.320 0.000 3.188 215 T HA 0.127 4.477 4.350 -0.000 0.000 0.250 215 T C 0.144 174.740 174.700 -0.173 0.000 1.077 215 T CA -0.464 61.449 62.100 -0.312 0.000 0.967 215 T CB -0.314 68.238 68.868 -0.526 0.000 1.006 215 T HN 0.089 nan 8.240 nan 0.000 0.552 216 N N 2.360 120.984 118.700 -0.127 0.000 2.714 216 N HA -0.163 4.577 4.740 -0.000 0.000 0.252 216 N C 0.011 175.481 175.510 -0.066 0.000 1.014 216 N CA 0.956 53.958 53.050 -0.079 0.000 0.735 216 N CB -1.604 36.844 38.487 -0.065 0.000 0.924 216 N HN 0.876 nan 8.380 nan 0.000 0.540 217 S N -0.855 114.807 115.700 -0.065 0.000 2.593 217 S HA 0.212 4.682 4.470 -0.000 0.000 0.269 217 S C 1.343 175.921 174.600 -0.036 0.000 1.334 217 S CA -0.557 57.620 58.200 -0.039 0.000 1.015 217 S CB 1.779 64.969 63.200 -0.017 0.000 0.912 217 S HN 0.091 nan 8.310 nan 0.000 0.541 218 E N 0.815 120.994 120.200 -0.035 0.000 2.118 218 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 218 E C 1.834 178.396 176.600 -0.063 0.000 0.992 218 E CA 1.116 57.487 56.400 -0.048 0.000 0.804 218 E CB -0.584 29.089 29.700 -0.045 0.000 0.741 218 E HN 0.711 nan 8.360 nan 0.000 0.458 219 L N 0.018 121.207 121.223 -0.056 0.000 2.046 219 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 219 L C 2.401 179.296 176.870 0.043 0.000 1.077 219 L CA 1.213 56.035 54.840 -0.029 0.000 0.747 219 L CB -0.473 41.542 42.059 -0.073 0.000 0.896 219 L HN 0.079 nan 8.230 nan 0.000 0.432 220 A N -0.301 122.527 122.820 0.015 0.000 1.969 220 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 220 A C 2.219 179.807 177.584 0.007 0.000 1.169 220 A CA 1.270 53.322 52.037 0.026 0.000 0.635 220 A CB -0.494 18.504 19.000 -0.003 0.000 0.810 220 A HN 0.360 nan 8.150 nan 0.000 0.445 221 L N -1.898 119.308 121.223 -0.030 0.000 2.072 221 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 221 L C 2.686 179.502 176.870 -0.089 0.000 1.079 221 L CA 1.485 56.296 54.840 -0.049 0.000 0.752 221 L CB -0.316 41.711 42.059 -0.053 0.000 0.906 221 L HN 0.483 nan 8.230 nan 0.000 0.436 222 M N -0.961 118.543 119.600 -0.159 0.000 2.117 222 M HA -0.227 4.253 4.480 -0.000 0.000 0.262 222 M C 1.224 177.272 176.300 -0.420 0.000 1.065 222 M CA 1.993 57.083 55.300 -0.350 0.000 1.114 222 M CB -0.187 32.078 32.600 -0.558 0.000 1.361 222 M HN 0.117 nan 8.290 nan 0.000 0.408 223 Y N 0.345 120.635 120.300 -0.017 0.000 2.555 223 Y HA 0.342 4.892 4.550 -0.000 0.000 0.259 223 Y C 0.358 176.254 175.900 -0.007 0.000 1.179 223 Y CA -0.682 57.414 58.100 -0.008 0.000 1.230 223 Y CB -0.422 38.031 38.460 -0.012 0.000 1.146 223 Y HN 0.303 nan 8.280 nan 0.000 0.526 224 N N 1.415 120.164 118.700 0.082 0.000 2.727 224 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 224 N C -0.614 174.929 175.510 0.055 0.000 1.048 224 N CA 1.378 54.459 53.050 0.051 0.000 0.714 224 N CB -1.055 37.458 38.487 0.044 0.000 0.959 224 N HN 0.486 nan 8.380 nan 0.000 0.544 225 D N -2.294 118.141 120.400 0.058 0.000 3.059 225 D HA -0.170 4.470 4.640 -0.000 0.000 0.213 225 D C -0.084 176.240 176.300 0.040 0.000 1.144 225 D CA 1.642 55.666 54.000 0.039 0.000 0.975 225 D CB -1.262 39.550 40.800 0.020 0.000 1.125 225 D HN 0.496 nan 8.370 nan 0.000 0.412 226 S N -0.421 115.313 115.700 0.056 0.000 2.438 226 S HA 0.390 4.860 4.470 -0.000 0.000 0.316 226 S C 0.196 174.805 174.600 0.015 0.000 1.084 226 S CA 0.103 58.327 58.200 0.040 0.000 1.107 226 S CB 0.801 64.030 63.200 0.048 0.000 0.981 226 S HN 0.189 nan 8.310 nan 0.000 0.466 227 S N 2.855 118.554 115.700 -0.002 0.000 3.378 227 S HA -0.136 4.334 4.470 -0.000 0.000 0.365 227 S C 1.355 175.887 174.600 -0.114 0.000 0.951 227 S CA 0.505 58.685 58.200 -0.033 0.000 1.274 227 S CB -1.748 61.439 63.200 -0.022 0.000 0.915 227 S HN 0.651 nan 8.310 nan 0.000 0.513 228 V N 0.674 120.537 119.914 -0.085 0.000 2.233 228 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 228 V C 2.256 178.187 176.094 -0.271 0.000 1.050 228 V CA 2.486 64.719 62.300 -0.113 0.000 1.010 228 V CB -0.493 31.326 31.823 -0.007 0.000 0.637 228 V HN 0.682 nan 8.190 nan 0.000 0.444 229 L N -0.488 120.580 121.223 -0.257 0.000 2.017 229 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 229 L C 2.605 179.058 176.870 -0.694 0.000 1.073 229 L CA 1.588 56.143 54.840 -0.475 0.000 0.745 229 L CB -0.610 41.227 42.059 -0.370 0.000 0.894 229 L HN 0.309 nan 8.230 nan 0.000 0.432 230 E N -0.138 119.894 120.200 -0.280 0.000 2.153 230 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 230 E C 1.976 178.477 176.600 -0.164 0.000 0.988 230 E CA 0.818 57.184 56.400 -0.056 0.000 0.811 230 E CB -0.223 29.513 29.700 0.060 0.000 0.746 230 E HN 0.349 nan 8.360 nan 0.000 0.466 231 N N -0.168 118.326 118.700 -0.343 0.000 2.188 231 N HA -0.161 4.578 4.740 -0.000 0.000 0.184 231 N C 1.740 176.975 175.510 -0.458 0.000 1.018 231 N CA 1.076 53.845 53.050 -0.469 0.000 0.858 231 N CB -0.157 37.794 38.487 -0.895 0.000 0.989 231 N HN 0.259 nan 8.380 nan 0.000 0.426 232 H N 0.927 119.617 119.070 -0.633 0.000 2.326 232 H HA -0.033 4.523 4.556 -0.001 0.000 0.301 232 H C 1.839 177.061 175.328 -0.176 0.000 1.081 232 H CA 1.707 57.574 56.048 -0.301 0.000 1.334 232 H CB -0.146 29.455 29.762 -0.268 0.000 1.385 232 H HN 0.272 nan 8.280 nan 0.000 0.504 233 H N 0.116 119.067 119.070 -0.199 0.000 2.319 233 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 233 H C 2.639 177.828 175.328 -0.232 0.000 1.097 233 H CA 1.565 57.465 56.048 -0.245 0.000 1.285 233 H CB -0.669 29.000 29.762 -0.156 0.000 1.368 233 H HN 0.346 nan 8.280 nan 0.000 0.495 234 L N 0.200 121.402 121.223 -0.035 0.000 2.012 234 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 234 L C 2.904 179.792 176.870 0.030 0.000 1.073 234 L CA 1.135 55.939 54.840 -0.061 0.000 0.748 234 L CB -0.524 41.604 42.059 0.115 0.000 0.891 234 L HN 0.239 nan 8.230 nan 0.000 0.431 235 A N -0.639 122.227 122.820 0.078 0.000 1.902 235 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 235 A C 2.311 179.937 177.584 0.069 0.000 1.181 235 A CA 1.847 53.979 52.037 0.158 0.000 0.623 235 A CB -0.790 18.318 19.000 0.180 0.000 0.818 235 A HN 0.205 nan 8.150 nan 0.000 0.443 236 V N -0.183 119.663 119.914 -0.114 0.000 2.379 236 V HA -0.123 3.996 4.120 -0.000 0.000 0.245 236 V C 2.833 178.875 176.094 -0.086 0.000 1.044 236 V CA 1.777 63.991 62.300 -0.144 0.000 1.036 236 V CB -1.440 30.208 31.823 -0.291 0.000 0.664 236 V HN 0.603 nan 8.190 nan 0.000 0.453 237 G N -0.380 108.347 108.800 -0.123 0.000 2.446 237 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.217 237 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.217 237 G C 1.433 176.401 174.900 0.112 0.000 1.168 237 G CA 1.052 46.091 45.100 -0.102 0.000 0.771 237 G HN 0.449 nan 8.290 nan 0.000 0.551 238 F N 1.065 121.147 119.950 0.219 0.000 2.163 238 F HA 0.133 4.660 4.527 -0.000 0.000 0.297 238 F C 2.473 178.368 175.800 0.158 0.000 1.094 238 F CA 1.250 59.387 58.000 0.228 0.000 1.290 238 F CB -0.396 38.699 39.000 0.159 0.000 1.017 238 F HN 0.074 nan 8.300 nan 0.000 0.483 239 K N 1.112 121.681 120.400 0.281 0.000 2.152 239 K HA -0.131 4.188 4.320 -0.000 0.000 0.206 239 K C 1.742 178.425 176.600 0.138 0.000 1.048 239 K CA 1.432 57.819 56.287 0.167 0.000 0.933 239 K CB -0.723 31.839 32.500 0.104 0.000 0.721 239 K HN 0.313 nan 8.250 nan 0.000 0.447 240 L N 0.277 121.590 121.223 0.149 0.000 2.275 240 L HA -0.063 4.277 4.340 -0.000 0.000 0.215 240 L C 1.977 179.025 176.870 0.296 0.000 1.119 240 L CA 0.524 55.453 54.840 0.149 0.000 0.790 240 L CB -0.312 41.765 42.059 0.031 0.000 0.919 240 L HN 0.157 nan 8.230 nan 0.000 0.443 241 L N -0.556 120.847 121.223 0.301 0.000 2.265 241 L HA -0.213 4.126 4.340 -0.000 0.000 0.215 241 L C 2.279 179.211 176.870 0.104 0.000 1.117 241 L CA 1.054 55.976 54.840 0.137 0.000 0.782 241 L CB -0.390 41.720 42.059 0.085 0.000 0.914 241 L HN 0.398 nan 8.230 nan 0.000 0.441 242 Q N -0.765 119.104 119.800 0.113 0.000 2.425 242 Q HA 0.035 4.374 4.340 -0.000 0.000 0.204 242 Q C 0.181 176.223 176.000 0.070 0.000 0.933 242 Q CA 0.026 55.877 55.803 0.079 0.000 0.939 242 Q CB 0.244 29.027 28.738 0.074 0.000 1.044 242 Q HN 0.386 nan 8.270 nan 0.000 0.513 243 E N 1.907 122.158 120.200 0.084 0.000 2.390 243 E HA 0.009 4.359 4.350 -0.000 0.000 0.261 243 E C -0.377 176.259 176.600 0.061 0.000 1.076 243 E CA -0.019 56.423 56.400 0.070 0.000 0.905 243 E CB 0.515 30.259 29.700 0.073 0.000 0.984 243 E HN 0.166 nan 8.360 nan 0.000 0.427 244 E N 1.738 121.966 120.200 0.047 0.000 2.529 244 E HA -0.198 4.152 4.350 -0.000 0.000 0.259 244 E C 0.087 176.710 176.600 0.037 0.000 0.966 244 E CA 0.242 56.664 56.400 0.037 0.000 0.937 244 E CB 0.070 29.787 29.700 0.030 0.000 0.923 244 E HN 0.419 nan 8.360 nan 0.000 0.468 245 N N 2.639 121.357 118.700 0.029 0.000 2.708 245 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 245 N C -0.657 174.873 175.510 0.034 0.000 1.097 245 N CA 1.050 54.114 53.050 0.023 0.000 0.710 245 N CB -1.441 37.056 38.487 0.016 0.000 1.032 245 N HN 0.477 nan 8.380 nan 0.000 0.551 246 C N -1.267 118.063 119.300 0.051 0.000 3.228 246 C HA 0.245 4.704 4.460 -0.000 0.000 0.290 246 C C 0.686 175.664 174.990 -0.020 0.000 1.301 246 C CA -0.642 58.433 59.018 0.095 0.000 1.703 246 C CB -0.470 27.395 27.740 0.207 0.000 2.141 246 C HN 0.461 nan 8.230 nan 0.000 0.656 247 D N 2.188 122.560 120.400 -0.046 0.000 2.441 247 D HA 0.090 4.730 4.640 -0.000 0.000 0.243 247 D C 1.320 177.501 176.300 -0.200 0.000 1.257 247 D CA -0.077 53.858 54.000 -0.109 0.000 1.027 247 D CB -0.091 40.693 40.800 -0.027 0.000 1.084 247 D HN 0.610 nan 8.370 nan 0.000 0.514 248 I N -0.916 119.385 120.570 -0.447 0.000 2.830 248 I HA -0.037 4.133 4.170 -0.000 0.000 0.263 248 I C 0.529 176.335 176.117 -0.519 0.000 1.230 248 I CA 0.704 61.691 61.300 -0.521 0.000 1.480 248 I CB -0.259 37.323 38.000 -0.697 0.000 1.095 248 I HN 0.010 nan 8.210 nan 0.000 0.455 249 F N 2.168 122.034 119.950 -0.139 0.000 2.641 249 F HA 0.191 4.718 4.527 -0.000 0.000 0.302 249 F C 2.306 178.064 175.800 -0.070 0.000 1.098 249 F CA -0.460 57.460 58.000 -0.133 0.000 1.318 249 F CB -0.663 38.209 39.000 -0.213 0.000 1.035 249 F HN 0.218 nan 8.300 nan 0.000 0.551 250 Q N -0.154 119.685 119.800 0.065 0.000 2.234 250 Q HA -0.198 4.141 4.340 -0.000 0.000 0.206 250 Q C 0.731 176.769 176.000 0.062 0.000 0.980 250 Q CA 1.701 57.535 55.803 0.051 0.000 0.869 250 Q CB -0.394 28.358 28.738 0.022 0.000 0.912 250 Q HN 0.256 nan 8.270 nan 0.000 0.436 251 N N -0.062 118.690 118.700 0.086 0.000 2.236 251 N HA 0.161 4.901 4.740 -0.000 0.000 0.196 251 N C -0.589 174.992 175.510 0.117 0.000 1.114 251 N CA -0.014 53.092 53.050 0.092 0.000 0.859 251 N CB 0.382 38.928 38.487 0.097 0.000 0.982 251 N HN 0.128 nan 8.380 nan 0.000 0.493 252 L N 1.129 122.424 121.223 0.121 0.000 2.436 252 L HA 0.141 4.481 4.340 -0.000 0.000 0.265 252 L C 1.444 178.345 176.870 0.051 0.000 1.168 252 L CA -0.024 54.876 54.840 0.100 0.000 0.815 252 L CB 0.525 42.602 42.059 0.029 0.000 1.109 252 L HN 0.095 nan 8.230 nan 0.000 0.462 253 T N -1.111 113.468 114.554 0.042 0.000 2.766 253 T HA 0.180 4.529 4.350 -0.000 0.000 0.295 253 T C 1.138 175.831 174.700 -0.012 0.000 1.024 253 T CA -0.464 61.646 62.100 0.017 0.000 1.018 253 T CB 0.506 69.385 68.868 0.019 0.000 1.002 253 T HN 0.538 nan 8.240 nan 0.000 0.532 254 K N 0.219 120.608 120.400 -0.018 0.000 2.063 254 K HA -0.102 4.217 4.320 -0.000 0.000 0.208 254 K C 2.380 178.948 176.600 -0.054 0.000 1.048 254 K CA 1.391 57.656 56.287 -0.037 0.000 0.928 254 K CB -0.163 32.318 32.500 -0.031 0.000 0.713 254 K HN 0.606 nan 8.250 nan 0.000 0.442 255 K N 1.227 121.602 120.400 -0.042 0.000 2.147 255 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 255 K C 2.059 178.619 176.600 -0.067 0.000 1.049 255 K CA 1.427 57.683 56.287 -0.051 0.000 0.936 255 K CB 0.120 32.600 32.500 -0.034 0.000 0.722 255 K HN 0.220 nan 8.250 nan 0.000 0.446 256 Q N -0.205 119.560 119.800 -0.059 0.000 2.083 256 Q HA -0.108 4.232 4.340 -0.000 0.000 0.198 256 Q C 2.141 178.038 176.000 -0.172 0.000 0.969 256 Q CA 1.258 57.011 55.803 -0.083 0.000 0.838 256 Q CB 0.055 28.774 28.738 -0.033 0.000 0.900 256 Q HN 0.254 nan 8.270 nan 0.000 0.436 257 R N 0.435 120.832 120.500 -0.172 0.000 2.092 257 R HA -0.157 4.182 4.340 -0.000 0.000 0.231 257 R C 2.318 178.481 176.300 -0.229 0.000 1.119 257 R CA 1.347 57.301 56.100 -0.244 0.000 0.970 257 R CB -0.144 30.055 30.300 -0.168 0.000 0.864 257 R HN 0.305 nan 8.270 nan 0.000 0.440 258 Q N 0.222 119.924 119.800 -0.164 0.000 2.046 258 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 258 Q C 2.124 178.033 176.000 -0.152 0.000 0.975 258 Q CA 1.904 57.617 55.803 -0.150 0.000 0.836 258 Q CB -0.065 28.604 28.738 -0.114 0.000 0.896 258 Q HN 0.212 nan 8.270 nan 0.000 0.428 259 S N 0.192 115.807 115.700 -0.142 0.000 2.356 259 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 259 S C 1.958 176.488 174.600 -0.116 0.000 1.032 259 S CA 1.240 59.362 58.200 -0.130 0.000 1.005 259 S CB -0.415 62.722 63.200 -0.105 0.000 0.867 259 S HN 0.508 nan 8.310 nan 0.000 0.449 260 L N 1.518 122.632 121.223 -0.180 0.000 2.012 260 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 260 L C 2.656 179.438 176.870 -0.146 0.000 1.073 260 L CA 2.029 56.735 54.840 -0.222 0.000 0.748 260 L CB -0.467 41.303 42.059 -0.481 0.000 0.891 260 L HN 0.324 nan 8.230 nan 0.000 0.431 261 R N 0.025 120.407 120.500 -0.196 0.000 2.083 261 R HA -0.271 4.069 4.340 -0.000 0.000 0.237 261 R C 2.470 178.751 176.300 -0.032 0.000 1.137 261 R CA 2.226 58.225 56.100 -0.167 0.000 0.951 261 R CB -0.307 29.784 30.300 -0.348 0.000 0.851 261 R HN 0.350 nan 8.270 nan 0.000 0.434 262 K N 0.038 120.410 120.400 -0.046 0.000 2.057 262 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 262 K C 2.139 178.810 176.600 0.118 0.000 1.049 262 K CA 1.855 58.154 56.287 0.020 0.000 0.931 262 K CB -0.035 32.448 32.500 -0.028 0.000 0.714 262 K HN 0.230 nan 8.250 nan 0.000 0.440 263 M N 0.166 119.845 119.600 0.131 0.000 2.175 263 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 263 M C 2.102 178.499 176.300 0.161 0.000 1.063 263 M CA 1.135 56.546 55.300 0.186 0.000 1.119 263 M CB -0.026 32.675 32.600 0.167 0.000 1.377 263 M HN -0.001 nan 8.290 nan 0.000 0.415 264 V N 0.638 120.670 119.914 0.196 0.000 2.427 264 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 264 V C 2.167 178.416 176.094 0.259 0.000 1.051 264 V CA 1.637 64.097 62.300 0.267 0.000 1.048 264 V CB -0.494 31.597 31.823 0.446 0.000 0.666 264 V HN 0.408 nan 8.190 nan 0.000 0.456 265 I N -0.042 120.702 120.570 0.289 0.000 2.202 265 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 265 I C 2.273 178.480 176.117 0.150 0.000 1.091 265 I CA 1.526 62.968 61.300 0.236 0.000 1.368 265 I CB -0.430 37.693 38.000 0.206 0.000 1.058 265 I HN 0.288 nan 8.210 nan 0.000 0.410 266 D N 0.796 121.278 120.400 0.137 0.000 2.144 266 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 266 D C 2.229 178.573 176.300 0.072 0.000 0.984 266 D CA 1.397 55.457 54.000 0.101 0.000 0.834 266 D CB -0.086 40.785 40.800 0.117 0.000 0.955 266 D HN 0.347 nan 8.370 nan 0.000 0.465 267 I N 0.046 120.664 120.570 0.081 0.000 2.277 267 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 267 I C 2.345 178.502 176.117 0.067 0.000 1.094 267 I CA 0.462 61.794 61.300 0.054 0.000 1.393 267 I CB -0.034 37.995 38.000 0.048 0.000 1.078 267 I HN -0.136 nan 8.210 nan 0.000 0.417 268 V N 1.107 121.079 119.914 0.097 0.000 2.515 268 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 268 V C 2.305 178.469 176.094 0.116 0.000 1.058 268 V CA 1.461 63.834 62.300 0.121 0.000 1.064 268 V CB -0.451 31.446 31.823 0.122 0.000 0.675 268 V HN 0.376 nan 8.190 nan 0.000 0.461 269 L N 0.150 121.425 121.223 0.088 0.000 2.275 269 L HA -0.047 4.293 4.340 -0.000 0.000 0.215 269 L C 2.480 179.378 176.870 0.047 0.000 1.119 269 L CA 1.124 56.002 54.840 0.064 0.000 0.790 269 L CB -0.569 41.521 42.059 0.052 0.000 0.919 269 L HN 0.355 nan 8.230 nan 0.000 0.443 270 A N -0.301 122.539 122.820 0.033 0.000 2.206 270 A HA -0.094 4.225 4.320 -0.000 0.000 0.211 270 A C 2.240 179.810 177.584 -0.022 0.000 1.158 270 A CA 1.346 53.370 52.037 -0.021 0.000 0.761 270 A CB -0.652 18.323 19.000 -0.041 0.000 0.801 270 A HN 0.482 nan 8.150 nan 0.000 0.473 271 T N -2.339 112.268 114.554 0.088 0.000 3.085 271 T HA -0.024 4.326 4.350 -0.000 0.000 0.263 271 T C 0.584 175.407 174.700 0.205 0.000 1.127 271 T CA 0.471 62.688 62.100 0.195 0.000 1.103 271 T CB -0.398 68.647 68.868 0.295 0.000 0.921 271 T HN 0.322 nan 8.240 nan 0.000 0.510 272 D N 1.231 121.710 120.400 0.131 0.000 2.382 272 D HA 0.058 4.698 4.640 -0.000 0.000 0.259 272 D C 1.172 177.542 176.300 0.115 0.000 1.224 272 D CA -0.355 53.717 54.000 0.121 0.000 0.894 272 D CB 0.694 41.539 40.800 0.074 0.000 1.127 272 D HN -0.051 nan 8.370 nan 0.000 0.487 273 M N 2.624 122.321 119.600 0.162 0.000 2.346 273 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 273 M C 1.959 178.351 176.300 0.155 0.000 1.064 273 M CA 0.823 56.238 55.300 0.191 0.000 1.083 273 M CB -1.131 31.579 32.600 0.183 0.000 1.399 273 M HN 0.528 nan 8.290 nan 0.000 0.435 274 S N -0.552 115.210 115.700 0.104 0.000 2.474 274 S HA -0.070 4.399 4.470 -0.000 0.000 0.235 274 S C 1.528 176.171 174.600 0.072 0.000 0.997 274 S CA 0.686 58.935 58.200 0.083 0.000 0.949 274 S CB -0.134 63.100 63.200 0.057 0.000 0.766 274 S HN 0.271 nan 8.310 nan 0.000 0.517 275 K N 0.635 121.068 120.400 0.055 0.000 2.404 275 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 275 K C 1.400 177.989 176.600 -0.019 0.000 1.023 275 K CA 0.484 56.775 56.287 0.006 0.000 1.094 275 K CB -0.643 31.839 32.500 -0.030 0.000 0.841 275 K HN 0.694 nan 8.250 nan 0.000 0.523 276 H N 1.307 120.352 119.070 -0.040 0.000 2.290 276 H HA -0.047 4.509 4.556 -0.001 0.000 0.298 276 H C 1.779 177.128 175.328 0.036 0.000 1.087 276 H CA 2.044 58.087 56.048 -0.008 0.000 1.291 276 H CB 0.217 30.072 29.762 0.156 0.000 1.369 276 H HN -0.099 nan 8.280 nan 0.000 0.492 277 M N 0.353 119.974 119.600 0.035 0.000 2.159 277 M HA -0.152 4.327 4.480 -0.000 0.000 0.263 277 M C 1.817 178.073 176.300 -0.073 0.000 1.063 277 M CA 1.124 56.414 55.300 -0.017 0.000 1.110 277 M CB -0.809 31.847 32.600 0.094 0.000 1.374 277 M HN 0.396 nan 8.290 nan 0.000 0.411 278 N N 0.618 119.289 118.700 -0.050 0.000 2.142 278 N HA -0.035 4.705 4.740 -0.000 0.000 0.186 278 N C 1.931 177.394 175.510 -0.079 0.000 1.023 278 N CA 1.002 54.023 53.050 -0.047 0.000 0.852 278 N CB -0.429 38.042 38.487 -0.026 0.000 0.998 278 N HN 0.330 nan 8.380 nan 0.000 0.424 279 L N 0.237 121.385 121.223 -0.125 0.000 2.042 279 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 279 L C 2.201 178.999 176.870 -0.120 0.000 1.076 279 L CA 0.740 55.501 54.840 -0.133 0.000 0.749 279 L CB -0.333 41.602 42.059 -0.207 0.000 0.893 279 L HN 0.154 nan 8.230 nan 0.000 0.432 280 L N -0.159 120.948 121.223 -0.193 0.000 2.093 280 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 280 L C 2.566 179.393 176.870 -0.072 0.000 1.085 280 L CA 1.937 56.688 54.840 -0.148 0.000 0.755 280 L CB -0.705 41.207 42.059 -0.246 0.000 0.904 280 L HN 0.139 nan 8.230 nan 0.000 0.435 281 A N -0.800 121.982 122.820 -0.063 0.000 1.902 281 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 281 A C 1.980 179.548 177.584 -0.027 0.000 1.181 281 A CA 1.873 53.892 52.037 -0.030 0.000 0.623 281 A CB -0.741 18.247 19.000 -0.021 0.000 0.818 281 A HN 0.520 nan 8.150 nan 0.000 0.443 282 D N -0.568 119.812 120.400 -0.033 0.000 2.149 282 D HA -0.088 4.552 4.640 -0.000 0.000 0.201 282 D C 1.819 178.105 176.300 -0.023 0.000 0.972 282 D CA 1.005 54.989 54.000 -0.026 0.000 0.835 282 D CB -0.352 40.431 40.800 -0.028 0.000 0.966 282 D HN 0.347 nan 8.370 nan 0.000 0.476 283 L N 1.213 122.423 121.223 -0.021 0.000 2.083 283 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 283 L C 1.872 178.729 176.870 -0.022 0.000 1.083 283 L CA 1.699 56.532 54.840 -0.011 0.000 0.752 283 L CB -0.190 41.879 42.059 0.016 0.000 0.899 283 L HN -0.158 nan 8.230 nan 0.000 0.433 284 K N -1.407 118.981 120.400 -0.020 0.000 2.097 284 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 284 K C 1.890 178.475 176.600 -0.024 0.000 1.050 284 K CA 1.705 57.981 56.287 -0.019 0.000 0.938 284 K CB -0.276 32.218 32.500 -0.009 0.000 0.718 284 K HN 0.359 nan 8.250 nan 0.000 0.442 285 T N 1.548 116.088 114.554 -0.022 0.000 2.788 285 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 285 T C 1.827 176.509 174.700 -0.031 0.000 1.044 285 T CA 1.180 63.266 62.100 -0.023 0.000 1.139 285 T CB -0.054 68.802 68.868 -0.019 0.000 0.867 285 T HN 0.174 nan 8.240 nan 0.000 0.454 286 M N 0.425 120.004 119.600 -0.036 0.000 2.117 286 M HA -0.080 4.400 4.480 -0.000 0.000 0.262 286 M C 2.448 178.712 176.300 -0.061 0.000 1.065 286 M CA 1.220 56.492 55.300 -0.047 0.000 1.114 286 M CB -0.506 32.065 32.600 -0.049 0.000 1.361 286 M HN 0.102 nan 8.290 nan 0.000 0.408 287 V N 0.189 120.064 119.914 -0.064 0.000 2.332 287 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 287 V C 2.271 178.330 176.094 -0.060 0.000 1.055 287 V CA 1.700 63.956 62.300 -0.073 0.000 1.038 287 V CB -0.623 31.159 31.823 -0.068 0.000 0.651 287 V HN 0.436 nan 8.190 nan 0.000 0.450 288 E N 0.149 120.321 120.200 -0.046 0.000 2.285 288 E HA -0.095 4.254 4.350 -0.000 0.000 0.194 288 E C 2.033 178.611 176.600 -0.038 0.000 0.997 288 E CA 1.524 57.901 56.400 -0.039 0.000 0.845 288 E CB 0.044 29.727 29.700 -0.028 0.000 0.782 288 E HN 0.798 nan 8.360 nan 0.000 0.491 289 T N -2.104 112.426 114.554 -0.040 0.000 3.129 289 T HA 0.181 4.531 4.350 -0.000 0.000 0.267 289 T C 0.624 175.297 174.700 -0.045 0.000 1.018 289 T CA -0.454 61.624 62.100 -0.037 0.000 0.903 289 T CB 0.299 69.148 68.868 -0.031 0.000 1.067 289 T HN -0.148 nan 8.240 nan 0.000 0.549 290 K N 2.042 122.409 120.400 -0.055 0.000 2.524 290 K HA 0.065 4.385 4.320 -0.000 0.000 0.279 290 K C -0.495 176.069 176.600 -0.060 0.000 0.993 290 K CA 0.459 56.707 56.287 -0.066 0.000 1.030 290 K CB 0.342 32.794 32.500 -0.079 0.000 0.891 290 K HN 0.257 nan 8.250 nan 0.000 0.488 291 K N 3.240 123.603 120.400 -0.062 0.000 2.378 291 K HA 0.299 4.619 4.320 -0.000 0.000 0.252 291 K C -0.728 175.834 176.600 -0.063 0.000 0.931 291 K CA -0.979 55.274 56.287 -0.056 0.000 0.794 291 K CB 1.925 34.395 32.500 -0.049 0.000 1.181 291 K HN 0.476 nan 8.250 nan 0.000 0.425 298 L N 3.327 124.485 121.223 -0.109 0.000 2.456 298 L HA 0.311 4.651 4.340 -0.000 0.000 0.272 298 L C -0.365 176.427 176.870 -0.130 0.000 1.189 298 L CA -0.093 54.672 54.840 -0.124 0.000 0.846 298 L CB 0.560 42.527 42.059 -0.153 0.000 1.111 298 L HN 0.494 nan 8.230 nan 0.000 0.475 299 L N 5.613 126.771 121.223 -0.109 0.000 2.265 299 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 299 L C -0.779 176.031 176.870 -0.100 0.000 1.033 299 L CA 0.045 54.826 54.840 -0.098 0.000 0.814 299 L CB 0.855 42.871 42.059 -0.071 0.000 1.203 299 L HN 0.371 nan 8.230 nan 0.000 0.423 300 L N 5.594 126.748 121.223 -0.115 0.000 2.427 300 L HA 0.376 4.716 4.340 -0.000 0.000 0.264 300 L C 0.323 177.153 176.870 -0.067 0.000 0.989 300 L CA -0.489 54.293 54.840 -0.097 0.000 0.865 300 L CB 1.428 43.406 42.059 -0.134 0.000 1.209 300 L HN 0.536 nan 8.230 nan 0.000 0.430 301 D N 2.395 122.772 120.400 -0.038 0.000 2.087 301 D HA -0.081 4.558 4.640 -0.000 0.000 0.201 301 D C 0.636 176.943 176.300 0.012 0.000 0.980 301 D CA 1.273 55.263 54.000 -0.016 0.000 0.849 301 D CB 0.324 41.117 40.800 -0.012 0.000 1.001 301 D HN 0.710 nan 8.370 nan 0.000 0.452 302 N N -1.377 117.337 118.700 0.024 0.000 2.408 302 N HA -0.012 4.728 4.740 -0.000 0.000 0.260 302 N C 0.726 176.295 175.510 0.099 0.000 1.242 302 N CA -0.536 52.553 53.050 0.065 0.000 0.959 302 N CB 0.170 38.692 38.487 0.059 0.000 1.201 302 N HN 0.055 nan 8.380 nan 0.000 0.511 303 Y N 0.285 120.599 120.300 0.023 0.000 2.224 303 Y HA -0.158 4.391 4.550 -0.001 0.000 0.289 303 Y C 2.451 178.377 175.900 0.043 0.000 1.146 303 Y CA 1.630 59.754 58.100 0.039 0.000 1.182 303 Y CB -0.510 37.968 38.460 0.030 0.000 0.983 303 Y HN 0.696 nan 8.280 nan 0.000 0.524 304 S N -0.178 115.522 115.700 0.000 0.000 2.370 304 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 304 S C 1.652 176.188 174.600 -0.106 0.000 1.033 304 S CA 1.796 59.951 58.200 -0.075 0.000 1.011 304 S CB -0.401 62.807 63.200 0.014 0.000 0.852 304 S HN 0.596 nan 8.310 nan 0.000 0.457 305 D N 0.578 120.943 120.400 -0.059 0.000 2.123 305 D HA 0.007 4.647 4.640 -0.000 0.000 0.200 305 D C 2.278 178.560 176.300 -0.031 0.000 0.976 305 D CA 0.807 54.782 54.000 -0.042 0.000 0.831 305 D CB -0.227 40.554 40.800 -0.031 0.000 0.974 305 D HN 0.373 nan 8.370 nan 0.000 0.469 306 R N 0.127 120.606 120.500 -0.035 0.000 2.073 306 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 306 R C 2.255 178.573 176.300 0.030 0.000 1.134 306 R CA 0.673 56.822 56.100 0.082 0.000 0.952 306 R CB -0.347 30.020 30.300 0.111 0.000 0.850 306 R HN 0.108 nan 8.270 nan 0.000 0.433 307 I N 1.375 121.783 120.570 -0.269 0.000 2.315 307 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 307 I C 2.025 178.064 176.117 -0.130 0.000 1.117 307 I CA 1.524 62.643 61.300 -0.303 0.000 1.404 307 I CB -0.161 37.433 38.000 -0.676 0.000 1.071 307 I HN 0.162 nan 8.210 nan 0.000 0.419 308 Q N -0.687 119.053 119.800 -0.100 0.000 2.084 308 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 308 Q C 2.296 178.317 176.000 0.035 0.000 0.978 308 Q CA 2.025 57.808 55.803 -0.034 0.000 0.844 308 Q CB -0.163 28.556 28.738 -0.031 0.000 0.898 308 Q HN 0.410 nan 8.270 nan 0.000 0.426 309 V N 1.056 121.024 119.914 0.089 0.000 2.295 309 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 309 V C 2.192 178.401 176.094 0.192 0.000 1.049 309 V CA 1.529 63.953 62.300 0.207 0.000 1.024 309 V CB -0.503 31.497 31.823 0.294 0.000 0.648 309 V HN 0.366 nan 8.190 nan 0.000 0.447 310 L N -0.659 120.598 121.223 0.056 0.000 2.083 310 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 310 L C 2.682 179.520 176.870 -0.053 0.000 1.083 310 L CA 1.605 56.391 54.840 -0.090 0.000 0.752 310 L CB -0.594 41.356 42.059 -0.181 0.000 0.899 310 L HN 0.397 nan 8.230 nan 0.000 0.433 311 Q N -0.281 119.505 119.800 -0.025 0.000 2.050 311 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 311 Q C 2.073 178.069 176.000 -0.007 0.000 0.980 311 Q CA 1.384 57.174 55.803 -0.021 0.000 0.840 311 Q CB -0.098 28.622 28.738 -0.029 0.000 0.898 311 Q HN 0.493 nan 8.270 nan 0.000 0.424 312 N N 0.385 119.099 118.700 0.024 0.000 2.223 312 N HA -0.146 4.593 4.740 -0.000 0.000 0.185 312 N C 1.716 177.127 175.510 -0.164 0.000 1.016 312 N CA 0.955 54.027 53.050 0.037 0.000 0.863 312 N CB -0.110 38.461 38.487 0.139 0.000 0.983 312 N HN 0.291 nan 8.380 nan 0.000 0.429 313 M N 0.710 120.182 119.600 -0.214 0.000 2.067 313 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 313 M C 1.804 177.879 176.300 -0.375 0.000 1.069 313 M CA 1.421 56.398 55.300 -0.539 0.000 1.117 313 M CB -0.005 32.443 32.600 -0.254 0.000 1.334 313 M HN -0.152 nan 8.290 nan 0.000 0.407 314 V N -0.064 119.735 119.914 -0.193 0.000 2.490 314 V HA -0.270 3.849 4.120 -0.000 0.000 0.250 314 V C 2.334 178.359 176.094 -0.116 0.000 1.061 314 V CA 2.222 64.430 62.300 -0.154 0.000 1.064 314 V CB -1.306 30.449 31.823 -0.112 0.000 0.670 314 V HN 0.623 nan 8.190 nan 0.000 0.461 315 H N -0.613 118.350 119.070 -0.178 0.000 2.389 315 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 315 H C 2.229 177.465 175.328 -0.153 0.000 1.081 315 H CA 2.096 58.078 56.048 -0.110 0.000 1.345 315 H CB -0.525 29.199 29.762 -0.063 0.000 1.393 315 H HN 0.392 nan 8.280 nan 0.000 0.520 316 C N 0.377 119.422 119.300 -0.425 0.000 2.429 316 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 316 C C 3.091 178.017 174.990 -0.108 0.000 1.262 316 C CA 1.043 59.678 59.018 -0.638 0.000 1.733 316 C CB -1.325 25.564 27.740 -1.418 0.000 2.010 316 C HN 0.788 nan 8.230 nan 0.000 0.483 317 A N 0.156 122.911 122.820 -0.108 0.000 1.930 317 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 317 A C 1.871 179.421 177.584 -0.056 0.000 1.175 317 A CA 2.192 54.232 52.037 0.005 0.000 0.627 317 A CB -0.665 18.281 19.000 -0.090 0.000 0.815 317 A HN 0.543 nan 8.150 nan 0.000 0.443 318 D N -0.186 120.163 120.400 -0.084 0.000 2.144 318 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 318 D C 1.148 177.503 176.300 0.092 0.000 0.984 318 D CA 0.927 54.941 54.000 0.023 0.000 0.834 318 D CB -0.121 40.734 40.800 0.091 0.000 0.955 318 D HN 0.401 nan 8.370 nan 0.000 0.465 319 L N 0.360 121.607 121.223 0.039 0.000 2.912 319 L HA 0.193 4.533 4.340 -0.000 0.000 0.240 319 L C 1.471 178.467 176.870 0.210 0.000 1.262 319 L CA -0.052 54.850 54.840 0.102 0.000 1.058 319 L CB 0.159 42.200 42.059 -0.031 0.000 1.383 319 L HN -0.003 nan 8.230 nan 0.000 0.512 320 S N -2.722 113.072 115.700 0.156 0.000 2.524 320 S HA -0.024 4.446 4.470 -0.000 0.000 0.216 320 S C 1.244 175.775 174.600 -0.114 0.000 0.987 320 S CA 0.059 58.335 58.200 0.126 0.000 0.909 320 S CB -0.240 63.068 63.200 0.180 0.000 0.781 320 S HN 0.523 nan 8.310 nan 0.000 0.521 321 N N 3.122 121.739 118.700 -0.138 0.000 2.036 321 N HA -0.067 4.673 4.740 -0.000 0.000 0.195 321 N C -1.327 173.993 175.510 -0.318 0.000 1.037 321 N CA 1.611 54.579 53.050 -0.137 0.000 0.855 321 N CB -1.087 37.415 38.487 0.025 0.000 1.033 321 N HN 0.413 nan 8.380 nan 0.000 0.423 322 P HA -0.094 nan 4.420 nan 0.000 0.231 322 P C 0.943 177.889 177.300 -0.589 0.000 1.158 322 P CA 1.214 63.593 63.100 -1.201 0.000 0.763 322 P CB -0.128 31.148 31.700 -0.707 0.000 0.805 323 T N -5.370 108.957 114.554 -0.379 0.000 3.060 323 T HA 0.135 4.485 4.350 -0.000 0.000 0.249 323 T C 0.848 175.551 174.700 0.004 0.000 1.079 323 T CA -0.068 61.881 62.100 -0.252 0.000 1.013 323 T CB -0.228 68.336 68.868 -0.506 0.000 0.975 323 T HN -0.160 nan 8.240 nan 0.000 0.518 324 K N 2.317 122.695 120.400 -0.037 0.000 2.098 324 K HA 0.438 4.758 4.320 -0.000 0.000 0.257 324 K C -2.749 173.898 176.600 0.078 0.000 0.999 324 K CA -2.850 53.440 56.287 0.006 0.000 0.924 324 K CB 0.349 32.834 32.500 -0.025 0.000 1.028 324 K HN 0.056 nan 8.250 nan 0.000 0.466 325 P HA -0.133 nan 4.420 nan 0.000 0.263 325 P C 0.963 178.307 177.300 0.073 0.000 1.168 325 P CA 0.045 63.183 63.100 0.063 0.000 0.759 325 P CB 0.343 32.078 31.700 0.057 0.000 0.782 326 L N 3.822 125.047 121.223 0.003 0.000 2.089 326 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 326 L C 2.283 179.094 176.870 -0.098 0.000 1.079 326 L CA 1.970 56.763 54.840 -0.079 0.000 0.758 326 L CB -1.186 40.661 42.059 -0.353 0.000 0.891 326 L HN 0.473 nan 8.230 nan 0.000 0.433 327 Q N -0.611 119.134 119.800 -0.091 0.000 2.170 327 Q HA -0.205 4.135 4.340 -0.000 0.000 0.203 327 Q C 2.077 178.049 176.000 -0.047 0.000 0.976 327 Q CA 2.115 57.858 55.803 -0.100 0.000 0.858 327 Q CB -0.726 27.958 28.738 -0.089 0.000 0.907 327 Q HN 0.619 nan 8.270 nan 0.000 0.433 328 L N -0.503 120.763 121.223 0.071 0.000 2.068 328 L HA -0.086 4.254 4.340 -0.000 0.000 0.204 328 L C 2.664 179.711 176.870 0.295 0.000 1.076 328 L CA 1.077 56.020 54.840 0.172 0.000 0.753 328 L CB -0.820 41.393 42.059 0.258 0.000 0.910 328 L HN 0.095 nan 8.230 nan 0.000 0.439 329 Y N 1.669 122.092 120.300 0.205 0.000 2.081 329 Y HA -0.268 4.282 4.550 -0.000 0.000 0.280 329 Y C 2.734 178.779 175.900 0.242 0.000 1.163 329 Y CA 1.479 59.758 58.100 0.299 0.000 1.135 329 Y CB -0.531 38.059 38.460 0.216 0.000 0.970 329 Y HN 0.022 nan 8.280 nan 0.000 0.498 330 R N -0.319 120.193 120.500 0.019 0.000 2.091 330 R HA -0.263 4.077 4.340 -0.000 0.000 0.238 330 R C 2.306 178.564 176.300 -0.071 0.000 1.136 330 R CA 1.860 57.904 56.100 -0.093 0.000 0.959 330 R CB -0.447 29.741 30.300 -0.185 0.000 0.856 330 R HN 0.397 nan 8.270 nan 0.000 0.437 331 Q N 0.055 119.753 119.800 -0.170 0.000 2.084 331 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 331 Q C 1.630 177.501 176.000 -0.215 0.000 0.978 331 Q CA 1.741 57.321 55.803 -0.373 0.000 0.844 331 Q CB -0.308 27.919 28.738 -0.852 0.000 0.898 331 Q HN 0.397 nan 8.270 nan 0.000 0.426 332 W N -0.114 121.260 121.300 0.123 0.000 2.363 332 W HA -0.122 4.538 4.660 -0.000 0.000 0.296 332 W C 2.233 178.838 176.519 0.144 0.000 1.212 332 W CA 1.295 58.783 57.345 0.238 0.000 1.260 332 W CB -0.313 29.364 29.460 0.361 0.000 1.131 332 W HN 0.126 nan 8.180 nan 0.000 0.530 333 T N -0.023 114.699 114.554 0.280 0.000 2.737 333 T HA -0.194 4.156 4.350 -0.000 0.000 0.265 333 T C 1.072 175.749 174.700 -0.038 0.000 1.038 333 T CA 1.718 63.861 62.100 0.072 0.000 1.144 333 T CB -0.537 68.342 68.868 0.017 0.000 0.866 333 T HN 0.028 nan 8.240 nan 0.000 0.434 334 D N 0.973 121.351 120.400 -0.037 0.000 2.149 334 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 334 D C 2.349 178.586 176.300 -0.105 0.000 0.990 334 D CA 1.002 54.951 54.000 -0.086 0.000 0.839 334 D CB -0.216 40.523 40.800 -0.103 0.000 0.948 334 D HN 0.331 nan 8.370 nan 0.000 0.460 335 R N -0.240 120.237 120.500 -0.039 0.000 2.073 335 R HA -0.007 4.332 4.340 -0.000 0.000 0.229 335 R C 2.339 178.601 176.300 -0.062 0.000 1.120 335 R CA 0.408 56.513 56.100 0.008 0.000 0.967 335 R CB -0.278 30.103 30.300 0.135 0.000 0.862 335 R HN 0.117 nan 8.270 nan 0.000 0.436 336 I N 0.537 121.009 120.570 -0.162 0.000 2.315 336 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 336 I C 1.837 177.468 176.117 -0.810 0.000 1.117 336 I CA 1.392 62.285 61.300 -0.679 0.000 1.404 336 I CB 0.054 37.399 38.000 -1.091 0.000 1.071 336 I HN 0.114 nan 8.210 nan 0.000 0.419 337 M N -0.321 118.924 119.600 -0.592 0.000 2.086 337 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 337 M C 2.235 178.085 176.300 -0.750 0.000 1.067 337 M CA 1.566 56.415 55.300 -0.751 0.000 1.116 337 M CB -1.568 30.617 32.600 -0.691 0.000 1.348 337 M HN 0.347 nan 8.290 nan 0.000 0.407 338 E N 0.348 120.319 120.200 -0.382 0.000 2.049 338 E HA -0.260 4.089 4.350 -0.000 0.000 0.198 338 E C 2.010 178.570 176.600 -0.067 0.000 1.007 338 E CA 1.748 58.063 56.400 -0.141 0.000 0.809 338 E CB -0.035 29.629 29.700 -0.060 0.000 0.749 338 E HN 0.567 nan 8.360 nan 0.000 0.450 339 E N -0.730 119.408 120.200 -0.102 0.000 2.051 339 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 339 E C 1.940 178.600 176.600 0.101 0.000 0.991 339 E CA 1.119 57.513 56.400 -0.010 0.000 0.799 339 E CB -0.102 29.582 29.700 -0.026 0.000 0.748 339 E HN 0.227 nan 8.360 nan 0.000 0.449 340 F N 0.134 120.001 119.950 -0.138 0.000 2.102 340 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 340 F C 2.170 177.998 175.800 0.045 0.000 1.105 340 F CA 0.796 58.733 58.000 -0.105 0.000 1.239 340 F CB -1.031 37.852 39.000 -0.195 0.000 0.991 340 F HN 0.114 nan 8.300 nan 0.000 0.474 341 F N 0.510 120.540 119.950 0.134 0.000 2.161 341 F HA -0.160 4.367 4.527 -0.001 0.000 0.300 341 F C 2.458 178.263 175.800 0.007 0.000 1.089 341 F CA 0.929 58.950 58.000 0.035 0.000 1.282 341 F CB -1.343 37.655 39.000 -0.003 0.000 1.010 341 F HN -0.029 nan 8.300 nan 0.000 0.485 342 R N -0.041 120.578 120.500 0.199 0.000 2.096 342 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 342 R C 2.178 178.496 176.300 0.030 0.000 1.127 342 R CA 1.395 57.552 56.100 0.095 0.000 0.968 342 R CB -0.552 29.790 30.300 0.069 0.000 0.861 342 R HN 0.418 nan 8.270 nan 0.000 0.440 343 Q N 0.117 119.919 119.800 0.005 0.000 2.079 343 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 343 Q C 1.992 177.973 176.000 -0.032 0.000 0.974 343 Q CA 1.680 57.394 55.803 -0.149 0.000 0.840 343 Q CB -0.189 28.433 28.738 -0.194 0.000 0.898 343 Q HN 0.367 nan 8.270 nan 0.000 0.430 344 G N 0.697 109.532 108.800 0.059 0.000 2.422 344 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 344 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 344 G C 0.930 175.871 174.900 0.068 0.000 1.146 344 G CA 1.031 46.177 45.100 0.078 0.000 0.769 344 G HN 0.398 nan 8.290 nan 0.000 0.547 345 D N 0.353 120.786 120.400 0.056 0.000 2.178 345 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 345 D C 2.644 178.990 176.300 0.076 0.000 0.974 345 D CA 0.547 54.577 54.000 0.050 0.000 0.841 345 D CB -0.181 40.643 40.800 0.040 0.000 0.953 345 D HN 0.268 nan 8.370 nan 0.000 0.478 346 R N 0.494 121.048 120.500 0.089 0.000 2.090 346 R HA -0.017 4.322 4.340 -0.000 0.000 0.228 346 R C 2.147 178.584 176.300 0.228 0.000 1.110 346 R CA 0.788 56.980 56.100 0.154 0.000 0.973 346 R CB 0.019 30.412 30.300 0.155 0.000 0.869 346 R HN 0.280 nan 8.270 nan 0.000 0.440 347 E N 0.085 120.430 120.200 0.241 0.000 2.072 347 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 347 E C 2.042 178.712 176.600 0.116 0.000 0.985 347 E CA 0.758 57.287 56.400 0.215 0.000 0.801 347 E CB -0.005 29.815 29.700 0.200 0.000 0.750 347 E HN 0.187 nan 8.360 nan 0.000 0.452 348 R N 1.114 121.670 120.500 0.094 0.000 2.092 348 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 348 R C 1.880 178.217 176.300 0.061 0.000 1.119 348 R CA 1.268 57.410 56.100 0.069 0.000 0.970 348 R CB 0.077 30.417 30.300 0.066 0.000 0.864 348 R HN 0.168 nan 8.270 nan 0.000 0.440 349 E N -0.261 119.981 120.200 0.070 0.000 2.153 349 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 349 E C 1.777 178.406 176.600 0.050 0.000 0.988 349 E CA 0.910 57.345 56.400 0.059 0.000 0.811 349 E CB 0.119 29.859 29.700 0.066 0.000 0.746 349 E HN 0.274 nan 8.360 nan 0.000 0.466 350 R N -0.729 119.805 120.500 0.056 0.000 2.310 350 R HA 0.058 4.398 4.340 -0.000 0.000 0.202 350 R C 1.083 177.394 176.300 0.018 0.000 0.933 350 R CA 0.487 56.606 56.100 0.032 0.000 1.054 350 R CB 0.512 30.826 30.300 0.024 0.000 0.985 350 R HN 0.220 nan 8.270 nan 0.000 0.489 351 G N 1.080 109.895 108.800 0.025 0.000 2.148 351 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.254 351 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.254 351 G C 0.202 175.110 174.900 0.013 0.000 0.981 351 G CA 0.244 45.354 45.100 0.017 0.000 0.670 351 G HN 0.175 nan 8.290 nan 0.000 0.528 352 M N -0.153 119.459 119.600 0.019 0.000 2.197 352 M HA 0.460 4.940 4.480 -0.000 0.000 0.305 352 M C 0.697 177.012 176.300 0.025 0.000 1.162 352 M CA -0.376 54.932 55.300 0.014 0.000 1.099 352 M CB 0.531 33.139 32.600 0.013 0.000 1.430 352 M HN 0.234 nan 8.290 nan 0.000 0.481 353 E N 0.988 121.198 120.200 0.018 0.000 2.338 353 E HA 0.247 4.597 4.350 -0.000 0.000 0.272 353 E C -1.256 175.364 176.600 0.033 0.000 1.029 353 E CA -0.191 56.221 56.400 0.020 0.000 0.872 353 E CB 0.568 30.274 29.700 0.010 0.000 1.015 353 E HN 0.375 nan 8.360 nan 0.000 0.417 354 I N 3.715 124.305 120.570 0.034 0.000 2.416 354 I HA 0.054 4.224 4.170 -0.000 0.000 0.288 354 I C 0.259 176.388 176.117 0.021 0.000 1.051 354 I CA -0.261 61.063 61.300 0.040 0.000 1.375 354 I CB 1.194 39.218 38.000 0.040 0.000 1.407 354 I HN 0.461 nan 8.210 nan 0.000 0.516 355 S N 7.370 123.078 115.700 0.013 0.000 2.579 355 S HA 0.160 4.630 4.470 -0.000 0.000 0.275 355 S C -2.198 172.368 174.600 -0.058 0.000 1.345 355 S CA -0.896 57.284 58.200 -0.033 0.000 1.031 355 S CB -0.056 63.106 63.200 -0.063 0.000 0.892 355 S HN 0.409 nan 8.310 nan 0.000 0.529 356 P HA 0.107 nan 4.420 nan 0.000 0.265 356 P C 0.337 177.574 177.300 -0.106 0.000 1.193 356 P CA 0.399 63.460 63.100 -0.065 0.000 0.765 356 P CB 0.054 31.713 31.700 -0.070 0.000 0.823 357 M N -0.367 119.233 119.600 -0.001 0.000 2.939 357 M HA -0.249 4.230 4.480 -0.000 0.000 0.194 357 M C 0.111 176.528 176.300 0.195 0.000 0.617 357 M CA 0.725 56.078 55.300 0.088 0.000 0.734 357 M CB -2.414 30.217 32.600 0.052 0.000 2.637 357 M HN 0.356 nan 8.290 nan 0.000 0.316 358 C N -0.064 119.315 119.300 0.131 0.000 3.038 358 C HA 0.227 4.687 4.460 -0.000 0.000 0.279 358 C C 0.804 175.946 174.990 0.255 0.000 1.276 358 C CA -0.213 58.944 59.018 0.232 0.000 1.697 358 C CB -0.395 27.368 27.740 0.040 0.000 2.032 358 C HN 0.419 nan 8.230 nan 0.000 0.636 359 D N 1.524 122.008 120.400 0.141 0.000 2.443 359 D HA 0.125 4.765 4.640 -0.000 0.000 0.221 359 D C 1.245 177.306 176.300 -0.398 0.000 1.097 359 D CA -0.103 53.851 54.000 -0.077 0.000 0.865 359 D CB 0.740 41.532 40.800 -0.014 0.000 1.034 359 D HN 0.462 nan 8.370 nan 0.000 0.511 360 K N 2.808 122.655 120.400 -0.921 0.000 2.442 360 K HA -0.136 4.183 4.320 -0.000 0.000 0.198 360 K C 0.511 176.660 176.600 -0.751 0.000 1.044 360 K CA 1.008 56.424 56.287 -1.452 0.000 0.948 360 K CB 0.016 31.690 32.500 -1.377 0.000 0.762 360 K HN 0.405 nan 8.250 nan 0.000 0.472 361 H N 0.354 119.255 119.070 -0.281 0.000 2.592 361 H HA 0.192 4.748 4.556 -0.000 0.000 0.265 361 H C 0.279 175.551 175.328 -0.093 0.000 0.955 361 H CA 0.212 56.170 56.048 -0.150 0.000 1.175 361 H CB 0.493 30.193 29.762 -0.103 0.000 1.433 361 H HN 0.281 nan 8.280 nan 0.000 0.537 362 N N 0.632 119.333 118.700 0.002 0.000 2.536 362 N HA 0.252 4.992 4.740 -0.000 0.000 0.286 362 N C -0.367 175.164 175.510 0.035 0.000 1.577 362 N CA 0.012 53.078 53.050 0.025 0.000 0.883 362 N CB 1.546 40.053 38.487 0.034 0.000 1.390 362 N HN 0.076 nan 8.380 nan 0.000 0.491 363 A N 0.227 123.068 122.820 0.035 0.000 2.302 363 A HA 0.648 4.968 4.320 -0.000 0.000 0.285 363 A C 0.282 177.936 177.584 0.116 0.000 1.105 363 A CA -0.126 51.989 52.037 0.128 0.000 0.816 363 A CB 0.650 19.816 19.000 0.277 0.000 1.067 363 A HN 0.076 nan 8.150 nan 0.000 0.489 364 S N 1.417 117.190 115.700 0.122 0.000 2.204 364 S HA 0.222 4.691 4.470 -0.000 0.000 0.147 364 S C 0.946 175.603 174.600 0.096 0.000 1.711 364 S CA -0.522 57.736 58.200 0.096 0.000 1.274 364 S CB 0.755 64.000 63.200 0.074 0.000 1.257 364 S HN 0.513 nan 8.310 nan 0.000 0.404 365 V N 1.742 121.723 119.914 0.111 0.000 2.324 365 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 365 V C 2.209 178.325 176.094 0.037 0.000 1.060 365 V CA 2.012 64.359 62.300 0.077 0.000 1.042 365 V CB -0.471 31.413 31.823 0.102 0.000 0.650 365 V HN 0.525 nan 8.190 nan 0.000 0.450 366 E N 0.214 120.471 120.200 0.096 0.000 2.028 366 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 366 E C 2.235 178.873 176.600 0.064 0.000 0.988 366 E CA 1.142 57.626 56.400 0.139 0.000 0.799 366 E CB -0.346 29.459 29.700 0.176 0.000 0.755 366 E HN 0.518 nan 8.360 nan 0.000 0.447 367 K N 0.290 120.733 120.400 0.072 0.000 2.074 367 K HA -0.118 4.201 4.320 -0.000 0.000 0.209 367 K C 2.313 178.960 176.600 0.079 0.000 1.048 367 K CA 1.570 57.902 56.287 0.075 0.000 0.926 367 K CB -0.184 32.360 32.500 0.072 0.000 0.713 367 K HN -0.032 nan 8.250 nan 0.000 0.444 368 S N 0.669 116.407 115.700 0.062 0.000 2.383 368 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 368 S C 1.841 176.494 174.600 0.088 0.000 1.026 368 S CA 0.935 59.180 58.200 0.075 0.000 0.981 368 S CB -0.090 63.142 63.200 0.053 0.000 0.818 368 S HN 0.252 nan 8.310 nan 0.000 0.472 369 Q N 0.888 120.675 119.800 -0.022 0.000 2.050 369 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 369 Q C 2.475 178.546 176.000 0.119 0.000 0.980 369 Q CA 1.048 56.836 55.803 -0.026 0.000 0.840 369 Q CB -0.994 27.377 28.738 -0.611 0.000 0.898 369 Q HN 0.428 nan 8.270 nan 0.000 0.424 370 V N 0.539 120.504 119.914 0.085 0.000 2.392 370 V HA -0.225 3.894 4.120 -0.000 0.000 0.249 370 V C 2.286 178.463 176.094 0.138 0.000 1.059 370 V CA 1.964 64.339 62.300 0.125 0.000 1.051 370 V CB -1.243 30.646 31.823 0.110 0.000 0.658 370 V HN 0.455 nan 8.190 nan 0.000 0.455 371 G N -0.960 107.957 108.800 0.194 0.000 2.402 371 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 371 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 371 G C 1.517 176.649 174.900 0.386 0.000 1.162 371 G CA 0.874 46.161 45.100 0.312 0.000 0.777 371 G HN 0.471 nan 8.290 nan 0.000 0.539 372 F N 1.471 121.509 119.950 0.147 0.000 2.134 372 F HA 0.063 4.590 4.527 -0.001 0.000 0.299 372 F C 2.377 178.252 175.800 0.124 0.000 1.097 372 F CA 0.722 58.797 58.000 0.125 0.000 1.264 372 F CB -0.307 38.743 39.000 0.083 0.000 1.001 372 F HN 0.111 nan 8.300 nan 0.000 0.479 373 I N 0.054 120.633 120.570 0.015 0.000 2.163 373 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 373 I C 2.100 178.206 176.117 -0.017 0.000 1.081 373 I CA 1.519 62.772 61.300 -0.079 0.000 1.353 373 I CB -0.574 37.447 38.000 0.035 0.000 1.054 373 I HN -0.004 nan 8.210 nan 0.000 0.407 374 D N 0.047 120.428 120.400 -0.031 0.000 2.144 374 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 374 D C 1.978 178.153 176.300 -0.209 0.000 0.984 374 D CA 1.790 55.683 54.000 -0.178 0.000 0.834 374 D CB -0.184 40.402 40.800 -0.357 0.000 0.955 374 D HN 0.427 nan 8.370 nan 0.000 0.465 375 Y N -0.798 119.543 120.300 0.068 0.000 2.503 375 Y HA 0.083 4.633 4.550 -0.000 0.000 0.277 375 Y C 1.928 177.873 175.900 0.077 0.000 1.102 375 Y CA 0.017 58.166 58.100 0.082 0.000 1.261 375 Y CB 0.634 39.147 38.460 0.088 0.000 1.096 375 Y HN -0.086 nan 8.280 nan 0.000 0.546 376 I N -2.274 118.377 120.570 0.135 0.000 3.650 376 I HA -0.013 4.157 4.170 -0.000 0.000 0.261 376 I C 1.942 178.032 176.117 -0.046 0.000 1.154 376 I CA 0.520 61.812 61.300 -0.013 0.000 1.418 376 I CB -0.960 36.971 38.000 -0.115 0.000 1.539 376 I HN -0.126 nan 8.210 nan 0.000 0.449 377 V N 1.396 121.175 119.914 -0.225 0.000 2.307 377 V HA -0.231 3.888 4.120 -0.000 0.000 0.245 377 V C 2.578 178.738 176.094 0.110 0.000 1.045 377 V CA 1.975 64.192 62.300 -0.139 0.000 1.024 377 V CB -0.946 30.629 31.823 -0.414 0.000 0.651 377 V HN 0.467 nan 8.190 nan 0.000 0.449 378 H N 0.970 120.048 119.070 0.014 0.000 2.326 378 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 378 H C -0.052 175.345 175.328 0.115 0.000 1.081 378 H CA 2.063 58.157 56.048 0.076 0.000 1.334 378 H CB -0.955 28.821 29.762 0.023 0.000 1.385 378 H HN 0.321 nan 8.280 nan 0.000 0.504 379 P HA -0.150 nan 4.420 nan 0.000 0.216 379 P C 1.911 179.276 177.300 0.108 0.000 1.150 379 P CA 0.891 64.091 63.100 0.166 0.000 0.837 379 P CB -0.152 31.662 31.700 0.190 0.000 0.786 380 L N -1.828 119.469 121.223 0.124 0.000 2.023 380 L HA 0.012 4.351 4.340 -0.000 0.000 0.205 380 L C 2.092 178.946 176.870 -0.028 0.000 1.073 380 L CA 1.702 56.572 54.840 0.049 0.000 0.745 380 L CB -1.432 40.659 42.059 0.053 0.000 0.900 380 L HN -0.094 nan 8.230 nan 0.000 0.435 381 W N 0.427 121.703 121.300 -0.040 0.000 2.425 381 W HA -0.115 4.545 4.660 -0.000 0.000 0.277 381 W C 2.618 179.098 176.519 -0.065 0.000 1.231 381 W CA 1.392 58.709 57.345 -0.046 0.000 1.248 381 W CB -0.028 29.358 29.460 -0.124 0.000 1.117 381 W HN 0.331 nan 8.180 nan 0.000 0.568 382 E N -0.533 119.672 120.200 0.008 0.000 2.107 382 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 382 E C 1.804 178.427 176.600 0.038 0.000 0.982 382 E CA 1.705 58.076 56.400 -0.049 0.000 0.809 382 E CB -0.034 29.584 29.700 -0.137 0.000 0.756 382 E HN 0.083 nan 8.360 nan 0.000 0.459 383 T N 0.616 115.198 114.554 0.046 0.000 2.812 383 T HA -0.140 4.210 4.350 -0.000 0.000 0.264 383 T C 1.218 175.941 174.700 0.038 0.000 1.042 383 T CA 0.873 62.993 62.100 0.033 0.000 1.140 383 T CB -0.371 68.514 68.868 0.028 0.000 0.870 383 T HN 0.421 nan 8.240 nan 0.000 0.445 384 W N 2.176 123.402 121.300 -0.123 0.000 2.358 384 W HA -0.091 4.569 4.660 -0.001 0.000 0.303 384 W C 2.415 178.899 176.519 -0.058 0.000 1.208 384 W CA 1.248 58.498 57.345 -0.159 0.000 1.274 384 W CB -0.444 28.789 29.460 -0.378 0.000 1.138 384 W HN 0.283 nan 8.180 nan 0.000 0.515 385 A N 0.439 123.346 122.820 0.144 0.000 2.019 385 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 385 A C 1.663 179.257 177.584 0.015 0.000 1.164 385 A CA 1.975 54.063 52.037 0.084 0.000 0.644 385 A CB -0.866 18.222 19.000 0.146 0.000 0.805 385 A HN 0.215 nan 8.150 nan 0.000 0.449 386 D N -0.506 119.893 120.400 -0.002 0.000 2.123 386 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 386 D C 1.866 178.114 176.300 -0.087 0.000 0.976 386 D CA 1.120 55.113 54.000 -0.012 0.000 0.831 386 D CB -0.299 40.484 40.800 -0.029 0.000 0.974 386 D HN 0.374 nan 8.370 nan 0.000 0.469 387 L N 0.763 121.864 121.223 -0.204 0.000 2.046 387 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 387 L C 1.852 178.537 176.870 -0.308 0.000 1.077 387 L CA 1.311 55.973 54.840 -0.296 0.000 0.747 387 L CB -0.060 41.718 42.059 -0.469 0.000 0.896 387 L HN 0.034 nan 8.230 nan 0.000 0.432 388 V N -3.462 116.233 119.914 -0.366 0.000 3.271 388 V HA 0.176 4.295 4.120 -0.000 0.000 0.327 388 V C 1.008 177.035 176.094 -0.111 0.000 1.389 388 V CA -0.653 61.486 62.300 -0.267 0.000 1.156 388 V CB -1.474 30.139 31.823 -0.351 0.000 1.103 388 V HN 0.363 nan 8.190 nan 0.000 0.453 389 H N 4.270 123.256 119.070 -0.141 0.000 3.140 389 H HA 0.092 4.648 4.556 -0.000 0.000 0.316 389 H C -1.749 173.539 175.328 -0.067 0.000 0.986 389 H CA 0.220 56.218 56.048 -0.084 0.000 1.397 389 H CB 1.735 31.455 29.762 -0.071 0.000 1.377 389 H HN 0.378 nan 8.280 nan 0.000 0.585 390 P HA 0.120 nan 4.420 nan 0.000 0.262 390 P C 0.134 177.260 177.300 -0.291 0.000 1.651 390 P CA -0.267 62.423 63.100 -0.683 0.000 1.119 390 P CB 0.383 31.659 31.700 -0.706 0.000 1.552 391 D N 1.580 121.880 120.400 -0.167 0.000 2.190 391 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 391 D C 1.627 177.876 176.300 -0.086 0.000 0.992 391 D CA 1.570 55.511 54.000 -0.099 0.000 0.854 391 D CB -0.445 40.322 40.800 -0.054 0.000 0.936 391 D HN 0.267 nan 8.370 nan 0.000 0.462 392 A N 0.072 122.855 122.820 -0.062 0.000 2.379 392 A HA 0.074 4.394 4.320 -0.000 0.000 0.236 392 A C 1.824 179.365 177.584 -0.071 0.000 1.272 392 A CA 0.009 52.031 52.037 -0.026 0.000 0.886 392 A CB 0.011 19.119 19.000 0.181 0.000 0.962 392 A HN -0.011 nan 8.150 nan 0.000 0.504 393 Q N 0.915 120.651 119.800 -0.107 0.000 2.096 393 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 393 Q C 0.972 176.922 176.000 -0.082 0.000 0.982 393 Q CA 2.295 58.044 55.803 -0.090 0.000 0.850 393 Q CB -0.164 28.503 28.738 -0.117 0.000 0.901 393 Q HN 0.579 nan 8.270 nan 0.000 0.422 394 D N -0.492 119.846 120.400 -0.103 0.000 2.144 394 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 394 D C 1.747 177.965 176.300 -0.136 0.000 0.978 394 D CA 1.002 54.946 54.000 -0.094 0.000 0.833 394 D CB -0.086 40.663 40.800 -0.084 0.000 0.961 394 D HN 0.371 nan 8.370 nan 0.000 0.470 395 I N 0.128 120.552 120.570 -0.243 0.000 2.252 395 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 395 I C 2.214 178.163 176.117 -0.279 0.000 1.102 395 I CA 0.433 61.501 61.300 -0.387 0.000 1.385 395 I CB -0.012 37.551 38.000 -0.729 0.000 1.064 395 I HN -0.008 nan 8.210 nan 0.000 0.414 396 L N 0.618 121.742 121.223 -0.165 0.000 2.093 396 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 396 L C 1.900 178.757 176.870 -0.023 0.000 1.085 396 L CA 1.936 56.727 54.840 -0.082 0.000 0.755 396 L CB -0.698 41.355 42.059 -0.009 0.000 0.904 396 L HN 0.169 nan 8.230 nan 0.000 0.435 397 D N -1.316 119.072 120.400 -0.021 0.000 2.144 397 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 397 D C 2.038 178.347 176.300 0.015 0.000 0.978 397 D CA 1.699 55.707 54.000 0.013 0.000 0.833 397 D CB -0.140 40.663 40.800 0.005 0.000 0.961 397 D HN 0.328 nan 8.370 nan 0.000 0.470 398 T N 1.350 115.894 114.554 -0.016 0.000 2.746 398 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 398 T C 1.930 176.637 174.700 0.011 0.000 1.039 398 T CA 0.506 62.608 62.100 0.004 0.000 1.142 398 T CB -0.313 68.556 68.868 0.003 0.000 0.866 398 T HN 0.040 nan 8.240 nan 0.000 0.444 399 L N 1.472 122.669 121.223 -0.043 0.000 2.042 399 L HA -0.083 4.256 4.340 -0.000 0.000 0.210 399 L C 2.232 179.151 176.870 0.082 0.000 1.076 399 L CA 1.839 56.659 54.840 -0.034 0.000 0.749 399 L CB -0.597 41.398 42.059 -0.107 0.000 0.893 399 L HN 0.271 nan 8.230 nan 0.000 0.432 400 E N -0.731 119.532 120.200 0.105 0.000 2.072 400 E HA -0.199 4.150 4.350 -0.000 0.000 0.191 400 E C 1.770 178.442 176.600 0.119 0.000 0.985 400 E CA 1.189 57.661 56.400 0.120 0.000 0.801 400 E CB -0.139 29.631 29.700 0.116 0.000 0.750 400 E HN 0.554 nan 8.360 nan 0.000 0.452 401 D N 0.585 121.052 120.400 0.113 0.000 2.117 401 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 401 D C 1.618 178.042 176.300 0.208 0.000 0.987 401 D CA 0.775 54.855 54.000 0.133 0.000 0.829 401 D CB -0.281 40.577 40.800 0.096 0.000 0.961 401 D HN 0.062 nan 8.370 nan 0.000 0.460 402 N N 0.519 119.353 118.700 0.224 0.000 2.244 402 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 402 N C 1.738 177.546 175.510 0.496 0.000 1.016 402 N CA 0.370 53.641 53.050 0.368 0.000 0.866 402 N CB -0.134 38.592 38.487 0.399 0.000 0.980 402 N HN 0.135 nan 8.380 nan 0.000 0.430 403 R N 1.413 122.119 120.500 0.344 0.000 2.066 403 R HA -0.097 4.242 4.340 -0.000 0.000 0.232 403 R C 1.605 178.067 176.300 0.271 0.000 1.131 403 R CA 1.242 57.525 56.100 0.304 0.000 0.955 403 R CB -0.237 30.160 30.300 0.162 0.000 0.851 403 R HN 0.084 nan 8.270 nan 0.000 0.432 404 E N -0.244 120.084 120.200 0.212 0.000 2.153 404 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 404 E C 1.659 178.364 176.600 0.175 0.000 0.988 404 E CA 1.374 57.867 56.400 0.156 0.000 0.811 404 E CB -0.574 29.199 29.700 0.122 0.000 0.746 404 E HN 0.410 nan 8.360 nan 0.000 0.466 405 W N -0.342 121.003 121.300 0.075 0.000 2.378 405 W HA -0.207 4.453 4.660 -0.001 0.000 0.313 405 W C 1.735 178.251 176.519 -0.005 0.000 1.197 405 W CA 1.842 59.191 57.345 0.006 0.000 1.304 405 W CB -0.727 28.706 29.460 -0.045 0.000 1.148 405 W HN 0.102 nan 8.180 nan 0.000 0.494 406 Y N 0.727 121.195 120.300 0.280 0.000 2.207 406 Y HA -0.325 4.225 4.550 -0.000 0.000 0.287 406 Y C 2.684 178.526 175.900 -0.096 0.000 1.156 406 Y CA 2.427 60.560 58.100 0.056 0.000 1.182 406 Y CB -1.169 37.428 38.460 0.227 0.000 0.979 406 Y HN 0.100 nan 8.280 nan 0.000 0.521 407 Q N 0.340 120.215 119.800 0.124 0.000 2.119 407 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 407 Q C 2.264 178.232 176.000 -0.054 0.000 0.972 407 Q CA 2.084 57.914 55.803 0.045 0.000 0.847 407 Q CB -0.468 28.304 28.738 0.057 0.000 0.903 407 Q HN 0.431 nan 8.270 nan 0.000 0.433 408 S N -1.238 114.381 115.700 -0.134 0.000 2.447 408 S HA -0.146 4.323 4.470 -0.000 0.000 0.233 408 S C 1.909 176.357 174.600 -0.253 0.000 1.006 408 S CA 1.318 59.407 58.200 -0.185 0.000 0.957 408 S CB -0.942 62.129 63.200 -0.215 0.000 0.773 408 S HN 0.618 nan 8.310 nan 0.000 0.507 409 T N 0.378 114.716 114.554 -0.360 0.000 2.942 409 T HA 0.193 4.542 4.350 -0.000 0.000 0.265 409 T C 1.761 176.370 174.700 -0.152 0.000 1.062 409 T CA 0.613 62.517 62.100 -0.328 0.000 1.139 409 T CB -0.766 67.816 68.868 -0.477 0.000 0.883 409 T HN 0.402 nan 8.240 nan 0.000 0.468 410 I N 2.026 122.542 120.570 -0.089 0.000 2.087 410 I HA -0.072 4.098 4.170 -0.000 0.000 0.240 410 I C -0.729 175.370 176.117 -0.030 0.000 1.054 410 I CA 0.576 61.858 61.300 -0.031 0.000 1.311 410 I CB -1.791 36.210 38.000 0.002 0.000 1.024 410 I HN 0.306 nan 8.210 nan 0.000 0.402 411 P HA 0.000 nan 4.420 nan 0.000 0.216 411 P CA 0.000 63.084 63.100 -0.026 0.000 0.800 411 P CB 0.000 31.681 31.700 -0.032 0.000 0.726