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 1fc9_1_A DATA FIRST_RESID 78 DATA SEQUENCE VTSEQLLFLE AWRAVDRAYV DKSFNGQSWF KLRETYLKKE PMDRRAQTYD DATA SEQUENCE AIRKLLAVLD DPFTRFLEPS RLAALRRGTA GSVTGVGLEI TYDGGSGKDV DATA SEQUENCE VVLTPAPGGP AEKAGARAGD VIVTVDGTAV KGLSLYDVSD LLQGEADSQV DATA SEQUENCE EVVLHAPGAP SNTRTLQLTR QKVTINPVTF TTcSNVAAAA LPPGAAKQQL DATA SEQUENCE GYVRLATFNS NTTAAAQQAF TELSKQGVAG LVLDIRNNGG GLFPAGVNVA DATA SEQUENCE RMLVDRGDLV LIADSQGIRD IYSADGNSID SATPLVVLVN RGTASASEVL DATA SEQUENCE AGALKDSKRG LIAGERTFGK GLIQTVVDLS DGSGVAVTVA RYQTPAGVDI DATA SEQUENCE NKIGVSPDVQ LDPEVLPTDL EGVcRVLGSD AAPRLF 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 78 V HA 0.000 nan 4.120 nan 0.000 0.244 78 V C 0.000 176.086 176.094 -0.013 0.000 1.182 78 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 78 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 79 T N 2.881 117.424 114.554 -0.020 0.000 2.847 79 T HA 0.447 4.797 4.350 -0.000 0.000 0.279 79 T C 1.284 175.984 174.700 -0.001 0.000 0.984 79 T CA 0.362 62.453 62.100 -0.015 0.000 0.988 79 T CB 1.592 70.442 68.868 -0.029 0.000 1.040 79 T HN 0.729 nan 8.240 nan 0.000 0.528 80 S N 0.646 116.347 115.700 0.002 0.000 2.359 80 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 80 S C 2.104 176.718 174.600 0.023 0.000 1.035 80 S CA 1.247 59.456 58.200 0.015 0.000 1.018 80 S CB -0.468 62.738 63.200 0.009 0.000 0.876 80 S HN 0.773 nan 8.310 nan 0.000 0.448 81 E N 1.412 121.613 120.200 0.003 0.000 2.058 81 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 81 E C 2.223 178.846 176.600 0.038 0.000 0.997 81 E CA 1.113 57.515 56.400 0.003 0.000 0.801 81 E CB -0.471 29.205 29.700 -0.040 0.000 0.746 81 E HN 0.627 nan 8.360 nan 0.000 0.450 82 Q N 0.328 120.135 119.800 0.012 0.000 2.124 82 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 82 Q C 2.499 178.563 176.000 0.107 0.000 0.977 82 Q CA 0.900 56.722 55.803 0.032 0.000 0.850 82 Q CB -0.163 28.558 28.738 -0.027 0.000 0.901 82 Q HN 0.259 nan 8.270 nan 0.000 0.429 83 L N -0.021 121.245 121.223 0.072 0.000 2.083 83 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 83 L C 2.327 179.261 176.870 0.106 0.000 1.083 83 L CA 0.580 55.468 54.840 0.079 0.000 0.752 83 L CB -0.380 41.713 42.059 0.057 0.000 0.899 83 L HN 0.262 nan 8.230 nan 0.000 0.433 84 L N -0.586 120.706 121.223 0.115 0.000 2.027 84 L HA -0.233 4.107 4.340 -0.000 0.000 0.206 84 L C 2.410 179.374 176.870 0.156 0.000 1.074 84 L CA 1.585 56.506 54.840 0.134 0.000 0.745 84 L CB -0.579 41.563 42.059 0.139 0.000 0.898 84 L HN 0.123 nan 8.230 nan 0.000 0.433 85 F N -0.232 119.727 119.950 0.015 0.000 2.120 85 F HA -0.273 4.254 4.527 -0.000 0.000 0.300 85 F C 1.981 177.804 175.800 0.038 0.000 1.095 85 F CA 1.937 59.935 58.000 -0.004 0.000 1.249 85 F CB -0.330 38.645 39.000 -0.042 0.000 0.995 85 F HN 0.067 nan 8.300 nan 0.000 0.480 86 L N -0.033 121.233 121.223 0.071 0.000 2.141 86 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 86 L C 2.364 179.288 176.870 0.090 0.000 1.094 86 L CA 1.425 56.282 54.840 0.028 0.000 0.763 86 L CB -0.765 41.344 42.059 0.082 0.000 0.908 86 L HN 0.172 nan 8.230 nan 0.000 0.437 87 E N 0.335 120.582 120.200 0.078 0.000 2.085 87 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 87 E C 2.325 178.960 176.600 0.058 0.000 0.994 87 E CA 1.239 57.691 56.400 0.086 0.000 0.801 87 E CB -0.192 29.562 29.700 0.090 0.000 0.743 87 E HN 0.522 nan 8.360 nan 0.000 0.453 88 A N 1.053 123.873 122.820 0.000 0.000 1.858 88 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 88 A C 1.918 179.473 177.584 -0.047 0.000 1.190 88 A CA 1.427 53.444 52.037 -0.033 0.000 0.617 88 A CB -1.150 17.773 19.000 -0.129 0.000 0.827 88 A HN 0.553 nan 8.150 nan 0.000 0.443 89 W N 0.488 121.550 121.300 -0.397 0.000 2.342 89 W HA -0.166 4.494 4.660 -0.000 0.000 0.297 89 W C 2.361 178.894 176.519 0.024 0.000 1.213 89 W CA 1.958 59.114 57.345 -0.315 0.000 1.251 89 W CB -0.108 28.949 29.460 -0.672 0.000 1.136 89 W HN 0.232 nan 8.180 nan 0.000 0.526 90 R N 0.189 120.747 120.500 0.097 0.000 2.075 90 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 90 R C 2.397 178.628 176.300 -0.115 0.000 1.126 90 R CA 1.448 57.511 56.100 -0.063 0.000 0.963 90 R CB -0.778 29.628 30.300 0.178 0.000 0.858 90 R HN 0.265 nan 8.270 nan 0.000 0.435 91 A N 0.332 123.133 122.820 -0.031 0.000 1.903 91 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 91 A C 2.240 179.794 177.584 -0.050 0.000 1.191 91 A CA 1.957 53.985 52.037 -0.015 0.000 0.638 91 A CB -0.639 18.375 19.000 0.024 0.000 0.823 91 A HN 0.204 nan 8.150 nan 0.000 0.451 92 V N 0.042 119.903 119.914 -0.089 0.000 2.379 92 V HA -0.204 3.915 4.120 -0.000 0.000 0.245 92 V C 2.288 178.266 176.094 -0.194 0.000 1.044 92 V CA 2.217 64.428 62.300 -0.148 0.000 1.036 92 V CB -0.890 30.791 31.823 -0.236 0.000 0.664 92 V HN 0.661 nan 8.190 nan 0.000 0.453 93 D N 0.131 120.302 120.400 -0.381 0.000 2.133 93 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 93 D C 2.384 178.661 176.300 -0.039 0.000 0.997 93 D CA 1.679 55.449 54.000 -0.383 0.000 0.840 93 D CB -0.013 40.285 40.800 -0.837 0.000 0.947 93 D HN 0.370 nan 8.370 nan 0.000 0.452 94 R N -0.613 119.844 120.500 -0.072 0.000 2.090 94 R HA 0.253 4.593 4.340 -0.000 0.000 0.219 94 R C 2.093 178.384 176.300 -0.013 0.000 1.100 94 R CA 1.027 57.119 56.100 -0.013 0.000 0.991 94 R CB -0.012 30.281 30.300 -0.012 0.000 0.893 94 R HN 0.104 nan 8.270 nan 0.000 0.443 95 A N 0.029 122.839 122.820 -0.017 0.000 2.147 95 A HA 0.022 4.342 4.320 -0.000 0.000 0.211 95 A C 0.212 177.771 177.584 -0.041 0.000 1.160 95 A CA -0.255 51.763 52.037 -0.030 0.000 0.781 95 A CB -0.129 18.859 19.000 -0.019 0.000 0.842 95 A HN 0.235 nan 8.150 nan 0.000 0.475 96 Y N -0.145 120.044 120.300 -0.185 0.000 2.702 96 Y HA 0.085 4.635 4.550 -0.000 0.000 0.336 96 Y C 1.600 177.308 175.900 -0.319 0.000 1.235 96 Y CA 0.655 58.592 58.100 -0.271 0.000 1.492 96 Y CB 0.895 39.148 38.460 -0.344 0.000 1.308 96 Y HN -0.027 nan 8.280 nan 0.000 0.589 97 V N 3.426 122.735 119.914 -1.010 0.000 2.490 97 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 97 V C 0.187 175.876 176.094 -0.675 0.000 1.061 97 V CA 2.420 64.268 62.300 -0.753 0.000 1.064 97 V CB -0.406 31.006 31.823 -0.685 0.000 0.670 97 V HN 0.836 nan 8.190 nan 0.000 0.461 98 D N -0.457 119.402 120.400 -0.901 0.000 2.453 98 D HA 0.231 4.871 4.640 -0.000 0.000 0.238 98 D C 0.678 176.571 176.300 -0.679 0.000 1.088 98 D CA -0.517 53.148 54.000 -0.558 0.000 0.854 98 D CB 1.135 41.710 40.800 -0.375 0.000 1.076 98 D HN -0.031 nan 8.370 nan 0.000 0.533 99 K N 1.364 121.415 120.400 -0.581 0.000 2.589 99 K HA -0.007 4.313 4.320 -0.000 0.000 0.192 99 K C 1.256 177.557 176.600 -0.498 0.000 1.029 99 K CA 0.249 56.124 56.287 -0.686 0.000 1.031 99 K CB -0.265 32.054 32.500 -0.301 0.000 0.821 99 K HN 0.423 nan 8.250 nan 0.000 0.502 100 S N -0.661 114.833 115.700 -0.343 0.000 2.540 100 S HA 0.056 4.526 4.470 -0.000 0.000 0.218 100 S C 0.428 175.091 174.600 0.104 0.000 0.977 100 S CA -0.552 57.628 58.200 -0.033 0.000 0.918 100 S CB -0.610 62.590 63.200 -0.001 0.000 0.806 100 S HN 0.247 nan 8.310 nan 0.000 0.496 101 F N 2.659 122.620 119.950 0.019 0.000 3.004 101 F HA -0.239 4.288 4.527 -0.000 0.000 0.264 101 F C 0.789 176.605 175.800 0.026 0.000 0.979 101 F CA 0.825 58.797 58.000 -0.047 0.000 0.896 101 F CB -2.691 36.230 39.000 -0.132 0.000 0.813 101 F HN 0.643 nan 8.300 nan 0.000 0.804 102 N N -0.375 118.402 118.700 0.129 0.000 2.740 102 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 102 N C 0.922 176.510 175.510 0.130 0.000 1.062 102 N CA 0.587 53.708 53.050 0.118 0.000 0.704 102 N CB -1.095 37.465 38.487 0.122 0.000 0.968 102 N HN 1.544 nan 8.380 nan 0.000 0.547 103 G N -0.566 108.312 108.800 0.131 0.000 2.203 103 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.263 103 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.263 103 G C -0.180 174.821 174.900 0.169 0.000 1.012 103 G CA 1.028 46.206 45.100 0.131 0.000 0.749 103 G HN 0.635 nan 8.290 nan 0.000 0.512 104 Q N -0.314 119.629 119.800 0.239 0.000 2.257 104 Q HA 0.566 4.906 4.340 -0.000 0.000 0.262 104 Q C -0.100 176.083 176.000 0.305 0.000 0.997 104 Q CA -0.443 55.516 55.803 0.259 0.000 0.873 104 Q CB 1.842 30.759 28.738 0.298 0.000 1.312 104 Q HN 0.282 nan 8.270 nan 0.000 0.450 105 S N 1.866 117.711 115.700 0.242 0.000 2.473 105 S HA 0.061 4.530 4.470 -0.000 0.000 0.312 105 S C 0.664 175.415 174.600 0.252 0.000 1.087 105 S CA -0.608 57.740 58.200 0.246 0.000 1.077 105 S CB -0.153 63.160 63.200 0.189 0.000 1.065 105 S HN 0.724 nan 8.310 nan 0.000 0.510 106 W N 4.938 126.223 121.300 -0.024 0.000 2.325 106 W HA -0.251 4.409 4.660 -0.000 0.000 0.299 106 W C 1.170 177.808 176.519 0.199 0.000 1.215 106 W CA 0.903 58.161 57.345 -0.144 0.000 1.244 106 W CB -0.211 28.659 29.460 -0.984 0.000 1.140 106 W HN 0.849 nan 8.180 nan 0.000 0.523 107 F N 1.673 121.737 119.950 0.190 0.000 2.163 107 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 107 F C 2.252 177.978 175.800 -0.124 0.000 1.094 107 F CA 1.892 59.935 58.000 0.072 0.000 1.290 107 F CB -0.473 38.597 39.000 0.117 0.000 1.017 107 F HN -0.353 nan 8.300 nan 0.000 0.483 108 K N 0.092 120.521 120.400 0.048 0.000 2.063 108 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 108 K C 1.939 178.442 176.600 -0.161 0.000 1.048 108 K CA 0.984 57.254 56.287 -0.027 0.000 0.928 108 K CB -0.804 31.732 32.500 0.059 0.000 0.713 108 K HN 0.152 nan 8.250 nan 0.000 0.442 109 L N 0.976 122.072 121.223 -0.211 0.000 1.989 109 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 109 L C 2.357 178.941 176.870 -0.477 0.000 1.071 109 L CA 1.695 56.339 54.840 -0.326 0.000 0.749 109 L CB -1.096 40.639 42.059 -0.540 0.000 0.890 109 L HN 0.272 nan 8.230 nan 0.000 0.431 110 R N -0.214 119.819 120.500 -0.777 0.000 2.112 110 R HA -0.205 4.134 4.340 -0.000 0.000 0.242 110 R C 1.994 177.931 176.300 -0.605 0.000 1.137 110 R CA 1.817 57.329 56.100 -0.980 0.000 0.944 110 R CB -0.075 29.001 30.300 -2.041 0.000 0.857 110 R HN 0.351 nan 8.270 nan 0.000 0.435 111 E N -0.172 119.644 120.200 -0.641 0.000 2.106 111 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 111 E C 2.059 178.529 176.600 -0.217 0.000 0.984 111 E CA 1.626 57.782 56.400 -0.406 0.000 0.806 111 E CB -0.407 29.091 29.700 -0.338 0.000 0.750 111 E HN 0.425 nan 8.360 nan 0.000 0.458 112 T N 0.947 115.416 114.554 -0.141 0.000 2.684 112 T HA -0.160 4.189 4.350 -0.000 0.000 0.267 112 T C 1.704 176.387 174.700 -0.027 0.000 1.036 112 T CA 1.207 63.279 62.100 -0.046 0.000 1.148 112 T CB -0.391 68.504 68.868 0.046 0.000 0.863 112 T HN 0.142 nan 8.240 nan 0.000 0.436 113 Y N 1.214 121.356 120.300 -0.262 0.000 2.224 113 Y HA 0.052 4.602 4.550 -0.000 0.000 0.289 113 Y C 2.171 177.793 175.900 -0.464 0.000 1.146 113 Y CA 0.138 58.036 58.100 -0.336 0.000 1.182 113 Y CB -0.790 37.475 38.460 -0.325 0.000 0.983 113 Y HN 0.177 nan 8.280 nan 0.000 0.524 114 L N -0.561 120.499 121.223 -0.272 0.000 2.131 114 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 114 L C 2.088 178.816 176.870 -0.236 0.000 1.092 114 L CA 1.505 56.154 54.840 -0.320 0.000 0.759 114 L CB -0.325 41.587 42.059 -0.247 0.000 0.903 114 L HN 0.131 nan 8.230 nan 0.000 0.435 115 K N -0.802 119.484 120.400 -0.190 0.000 2.211 115 K HA 0.002 4.321 4.320 -0.000 0.000 0.201 115 K C 1.878 178.379 176.600 -0.165 0.000 1.052 115 K CA 0.500 56.695 56.287 -0.154 0.000 0.973 115 K CB 0.287 32.716 32.500 -0.119 0.000 0.766 115 K HN 0.061 nan 8.250 nan 0.000 0.466 116 K N 0.516 120.796 120.400 -0.200 0.000 2.348 116 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 116 K C 0.037 176.484 176.600 -0.255 0.000 1.052 116 K CA 0.480 56.639 56.287 -0.213 0.000 1.004 116 K CB 0.622 32.998 32.500 -0.207 0.000 0.873 116 K HN 0.066 nan 8.250 nan 0.000 0.523 117 E N 2.312 122.318 120.200 -0.322 0.000 2.227 117 E HA 0.254 4.603 4.350 -0.000 0.000 0.282 117 E C -2.464 173.982 176.600 -0.258 0.000 1.015 117 E CA -2.521 53.683 56.400 -0.326 0.000 0.823 117 E CB 0.912 30.354 29.700 -0.430 0.000 1.081 117 E HN -0.065 nan 8.360 nan 0.000 0.396 118 P HA 0.135 nan 4.420 nan 0.000 0.267 118 P C -0.219 176.986 177.300 -0.159 0.000 1.205 118 P CA 0.318 63.325 63.100 -0.155 0.000 0.765 118 P CB 0.374 32.004 31.700 -0.117 0.000 0.828 119 M N 1.657 121.168 119.600 -0.149 0.000 4.145 119 M HA 0.101 4.581 4.480 -0.000 0.000 0.493 119 M C -0.260 175.975 176.300 -0.108 0.000 1.957 119 M CA -0.058 55.159 55.300 -0.138 0.000 0.584 119 M CB 0.410 32.903 32.600 -0.177 0.000 1.446 119 M HN 0.228 nan 8.290 nan 0.000 0.557 120 D N -0.189 120.155 120.400 -0.094 0.000 2.354 120 D HA 0.060 4.700 4.640 -0.000 0.000 0.209 120 D C 0.740 176.995 176.300 -0.075 0.000 1.015 120 D CA 0.154 54.107 54.000 -0.078 0.000 0.867 120 D CB 0.660 41.420 40.800 -0.067 0.000 0.933 120 D HN 0.292 nan 8.370 nan 0.000 0.520 121 R N -0.500 119.947 120.500 -0.088 0.000 2.686 121 R HA 0.400 4.739 4.340 -0.000 0.000 0.283 121 R C 0.536 176.746 176.300 -0.150 0.000 0.978 121 R CA -0.916 55.125 56.100 -0.097 0.000 0.897 121 R CB 1.289 31.542 30.300 -0.078 0.000 1.192 121 R HN -0.198 nan 8.270 nan 0.000 0.457 122 R N 3.090 123.473 120.500 -0.195 0.000 2.113 122 R HA -0.176 4.164 4.340 -0.000 0.000 0.244 122 R C 1.573 177.551 176.300 -0.536 0.000 1.142 122 R CA 2.671 58.549 56.100 -0.370 0.000 0.953 122 R CB -0.770 29.298 30.300 -0.387 0.000 0.860 122 R HN 0.764 nan 8.270 nan 0.000 0.438 123 A N 0.345 122.970 122.820 -0.325 0.000 1.986 123 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 123 A C 2.014 179.543 177.584 -0.092 0.000 1.171 123 A CA 1.923 53.850 52.037 -0.183 0.000 0.640 123 A CB -0.551 18.422 19.000 -0.046 0.000 0.811 123 A HN 0.685 nan 8.150 nan 0.000 0.451 124 Q N -1.218 118.517 119.800 -0.107 0.000 2.137 124 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 124 Q C 1.924 177.893 176.000 -0.051 0.000 0.960 124 Q CA 1.472 57.237 55.803 -0.062 0.000 0.847 124 Q CB -0.676 28.017 28.738 -0.075 0.000 0.915 124 Q HN 0.549 nan 8.270 nan 0.000 0.448 125 T N 1.079 115.579 114.554 -0.090 0.000 2.759 125 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 125 T C 1.560 176.314 174.700 0.090 0.000 1.042 125 T CA 1.308 63.397 62.100 -0.018 0.000 1.140 125 T CB -0.476 68.379 68.868 -0.022 0.000 0.864 125 T HN 0.379 nan 8.240 nan 0.000 0.455 126 Y N 1.584 121.853 120.300 -0.051 0.000 2.128 126 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 126 Y C 2.715 178.562 175.900 -0.087 0.000 1.154 126 Y CA 0.460 58.486 58.100 -0.123 0.000 1.149 126 Y CB -0.247 38.284 38.460 0.119 0.000 0.976 126 Y HN 0.183 nan 8.280 nan 0.000 0.505 127 D N 0.153 120.650 120.400 0.162 0.000 2.149 127 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 127 D C 2.177 178.532 176.300 0.092 0.000 0.990 127 D CA 1.269 55.333 54.000 0.106 0.000 0.839 127 D CB -0.348 40.487 40.800 0.059 0.000 0.948 127 D HN 0.361 nan 8.370 nan 0.000 0.460 128 A N 0.680 123.553 122.820 0.088 0.000 1.902 128 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 128 A C 2.394 180.184 177.584 0.343 0.000 1.181 128 A CA 0.826 52.964 52.037 0.169 0.000 0.623 128 A CB -0.656 18.375 19.000 0.051 0.000 0.818 128 A HN 0.180 nan 8.150 nan 0.000 0.443 129 I N -0.869 119.815 120.570 0.190 0.000 2.179 129 I HA -0.278 3.891 4.170 -0.000 0.000 0.242 129 I C 2.800 178.932 176.117 0.025 0.000 1.088 129 I CA 1.384 62.686 61.300 0.004 0.000 1.357 129 I CB -0.334 37.405 38.000 -0.435 0.000 1.051 129 I HN 0.290 nan 8.210 nan 0.000 0.409 130 R N 0.640 121.153 120.500 0.022 0.000 2.083 130 R HA -0.230 4.110 4.340 -0.000 0.000 0.237 130 R C 2.355 178.746 176.300 0.153 0.000 1.137 130 R CA 1.559 57.732 56.100 0.123 0.000 0.951 130 R CB -0.376 30.017 30.300 0.155 0.000 0.851 130 R HN 0.303 nan 8.270 nan 0.000 0.434 131 K N 0.757 121.268 120.400 0.185 0.000 2.097 131 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 131 K C 2.090 178.867 176.600 0.295 0.000 1.049 131 K CA 1.089 57.513 56.287 0.228 0.000 0.933 131 K CB -0.107 32.528 32.500 0.226 0.000 0.717 131 K HN 0.011 nan 8.250 nan 0.000 0.442 132 L N 1.518 122.923 121.223 0.303 0.000 1.994 132 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 132 L C 1.929 178.868 176.870 0.115 0.000 1.071 132 L CA 1.596 56.450 54.840 0.023 0.000 0.745 132 L CB -0.509 41.453 42.059 -0.163 0.000 0.892 132 L HN 0.207 nan 8.230 nan 0.000 0.431 133 L N -0.269 121.044 121.223 0.150 0.000 2.081 133 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 133 L C 2.689 179.640 176.870 0.135 0.000 1.080 133 L CA 1.256 56.195 54.840 0.166 0.000 0.754 133 L CB -1.234 40.907 42.059 0.136 0.000 0.893 133 L HN 0.430 nan 8.230 nan 0.000 0.433 134 A N 0.365 123.265 122.820 0.133 0.000 1.978 134 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 134 A C 2.348 179.998 177.584 0.110 0.000 1.170 134 A CA 1.824 53.926 52.037 0.108 0.000 0.636 134 A CB -0.939 18.124 19.000 0.106 0.000 0.810 134 A HN 0.384 nan 8.150 nan 0.000 0.448 135 V N -1.994 118.011 119.914 0.152 0.000 2.867 135 V HA -0.135 3.985 4.120 -0.000 0.000 0.260 135 V C 1.956 178.135 176.094 0.141 0.000 1.099 135 V CA 1.923 64.318 62.300 0.159 0.000 1.122 135 V CB -0.825 31.114 31.823 0.193 0.000 0.708 135 V HN 0.463 nan 8.190 nan 0.000 0.490 136 L N -0.168 121.116 121.223 0.100 0.000 2.291 136 L HA 0.072 4.412 4.340 -0.000 0.000 0.214 136 L C 1.178 178.073 176.870 0.041 0.000 1.120 136 L CA 1.129 55.977 54.840 0.013 0.000 0.799 136 L CB -0.663 41.264 42.059 -0.221 0.000 0.925 136 L HN 0.352 nan 8.230 nan 0.000 0.446 137 D N 0.015 120.440 120.400 0.041 0.000 2.907 137 D HA -0.188 4.452 4.640 -0.000 0.000 0.226 137 D C -0.187 176.118 176.300 0.010 0.000 1.141 137 D CA 1.020 55.035 54.000 0.026 0.000 0.779 137 D CB -1.096 39.728 40.800 0.039 0.000 1.095 137 D HN 0.363 nan 8.370 nan 0.000 0.430 138 D N -0.609 119.801 120.400 0.017 0.000 2.453 138 D HA 0.286 4.925 4.640 -0.000 0.000 0.238 138 D C -1.501 174.765 176.300 -0.057 0.000 1.088 138 D CA -2.026 51.996 54.000 0.037 0.000 0.854 138 D CB 1.501 42.418 40.800 0.196 0.000 1.076 138 D HN -0.143 nan 8.370 nan 0.000 0.533 139 P HA -0.100 nan 4.420 nan 0.000 0.221 139 P C 1.032 178.112 177.300 -0.366 0.000 1.145 139 P CA 0.778 63.523 63.100 -0.591 0.000 0.795 139 P CB 0.005 30.765 31.700 -1.567 0.000 0.775 140 F N -0.510 119.412 119.950 -0.047 0.000 2.710 140 F HA 0.062 4.589 4.527 -0.000 0.000 0.298 140 F C 1.102 176.993 175.800 0.151 0.000 1.137 140 F CA 0.559 58.654 58.000 0.158 0.000 1.444 140 F CB -0.639 38.446 39.000 0.142 0.000 1.111 140 F HN -0.253 nan 8.300 nan 0.000 0.580 141 T N 3.475 118.184 114.554 0.258 0.000 2.733 141 T HA 0.501 4.851 4.350 -0.000 0.000 0.294 141 T C 0.055 174.853 174.700 0.164 0.000 0.956 141 T CA -0.505 61.716 62.100 0.202 0.000 0.987 141 T CB 0.692 69.647 68.868 0.145 0.000 0.920 141 T HN -0.072 nan 8.240 nan 0.000 0.470 142 R N 1.659 122.267 120.500 0.181 0.000 2.781 142 R HA 0.460 4.800 4.340 -0.000 0.000 0.269 142 R C -1.501 174.896 176.300 0.161 0.000 1.025 142 R CA -0.905 55.299 56.100 0.173 0.000 0.914 142 R CB 1.509 31.920 30.300 0.184 0.000 1.236 142 R HN 0.547 nan 8.270 nan 0.000 0.465 143 F N 1.363 121.307 119.950 -0.010 0.000 2.422 143 F HA 0.593 5.120 4.527 -0.000 0.000 0.333 143 F C -1.018 174.695 175.800 -0.146 0.000 1.095 143 F CA -0.927 57.033 58.000 -0.067 0.000 1.038 143 F CB 0.879 39.850 39.000 -0.049 0.000 1.156 143 F HN 0.274 nan 8.300 nan 0.000 0.483 144 L N 5.383 125.837 121.223 -1.281 0.000 2.381 144 L HA 0.391 4.730 4.340 -0.000 0.000 0.274 144 L C -0.243 175.850 176.870 -1.294 0.000 0.988 144 L CA -0.788 53.431 54.840 -1.036 0.000 0.824 144 L CB 1.806 43.477 42.059 -0.648 0.000 1.263 144 L HN 0.567 nan 8.230 nan 0.000 0.410 145 E N 3.588 123.241 120.200 -0.912 0.000 2.418 145 E HA 0.025 4.375 4.350 -0.000 0.000 0.261 145 E C -1.578 174.811 176.600 -0.352 0.000 1.070 145 E CA -1.490 54.534 56.400 -0.626 0.000 0.931 145 E CB 0.681 30.204 29.700 -0.296 0.000 0.954 145 E HN 0.350 nan 8.360 nan 0.000 0.439 146 P HA -0.174 nan 4.420 nan 0.000 0.217 146 P C 1.101 178.359 177.300 -0.071 0.000 1.151 146 P CA 1.325 64.376 63.100 -0.082 0.000 0.849 146 P CB 0.239 31.954 31.700 0.025 0.000 0.787 147 S N -1.168 114.500 115.700 -0.054 0.000 2.395 147 S HA -0.027 4.442 4.470 -0.000 0.000 0.225 147 S C 1.897 176.458 174.600 -0.064 0.000 1.027 147 S CA 0.726 58.903 58.200 -0.038 0.000 0.965 147 S CB -0.361 62.835 63.200 -0.006 0.000 0.812 147 S HN 0.094 nan 8.310 nan 0.000 0.482 148 R N 0.934 121.370 120.500 -0.106 0.000 2.090 148 R HA 0.083 4.423 4.340 -0.000 0.000 0.228 148 R C 2.207 178.417 176.300 -0.149 0.000 1.110 148 R CA 0.602 56.626 56.100 -0.126 0.000 0.973 148 R CB -1.228 28.962 30.300 -0.183 0.000 0.869 148 R HN 0.343 nan 8.270 nan 0.000 0.440 149 L N 1.159 122.270 121.223 -0.187 0.000 2.017 149 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 149 L C 2.257 179.072 176.870 -0.091 0.000 1.073 149 L CA 2.075 56.814 54.840 -0.169 0.000 0.745 149 L CB -0.890 41.057 42.059 -0.186 0.000 0.894 149 L HN 0.151 nan 8.230 nan 0.000 0.432 150 A N -0.383 122.396 122.820 -0.068 0.000 1.883 150 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 150 A C 2.455 180.024 177.584 -0.025 0.000 1.186 150 A CA 2.160 54.176 52.037 -0.036 0.000 0.624 150 A CB -1.319 17.667 19.000 -0.024 0.000 0.822 150 A HN 0.606 nan 8.150 nan 0.000 0.444 151 A N -0.962 121.841 122.820 -0.029 0.000 1.933 151 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 151 A C 2.045 179.626 177.584 -0.005 0.000 1.175 151 A CA 1.601 53.630 52.037 -0.013 0.000 0.628 151 A CB -0.543 18.451 19.000 -0.011 0.000 0.814 151 A HN 0.405 nan 8.150 nan 0.000 0.444 152 L N -0.029 121.185 121.223 -0.014 0.000 2.013 152 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 152 L C 2.725 179.606 176.870 0.019 0.000 1.073 152 L CA 2.046 56.896 54.840 0.016 0.000 0.753 152 L CB -0.581 41.480 42.059 0.004 0.000 0.890 152 L HN 0.374 nan 8.230 nan 0.000 0.432 153 R N -0.956 119.545 120.500 0.002 0.000 2.082 153 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 153 R C 2.331 178.637 176.300 0.009 0.000 1.136 153 R CA 1.641 57.744 56.100 0.005 0.000 0.935 153 R CB -0.592 29.706 30.300 -0.004 0.000 0.842 153 R HN 0.290 nan 8.270 nan 0.000 0.430 154 R N 0.382 120.885 120.500 0.005 0.000 2.159 154 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 154 R C 1.642 177.949 176.300 0.011 0.000 1.131 154 R CA 0.763 56.867 56.100 0.007 0.000 0.982 154 R CB -0.621 29.682 30.300 0.005 0.000 0.868 154 R HN 0.456 nan 8.270 nan 0.000 0.453 155 G N 0.418 109.226 108.800 0.014 0.000 2.672 155 G HA2 -0.466 3.494 3.960 -0.000 0.000 0.356 155 G HA3 -0.466 3.494 3.960 -0.000 0.000 0.356 155 G C 0.171 175.081 174.900 0.016 0.000 1.312 155 G CA 0.897 46.008 45.100 0.019 0.000 0.980 155 G HN 0.425 nan 8.290 nan 0.000 0.540 156 T N 0.863 115.426 114.554 0.016 0.000 2.736 156 T HA 0.557 4.907 4.350 -0.000 0.000 0.275 156 T C 0.162 174.867 174.700 0.009 0.000 0.962 156 T CA 1.329 63.436 62.100 0.012 0.000 1.214 156 T CB -1.258 67.616 68.868 0.011 0.000 0.904 156 T HN 2.431 nan 8.240 nan 0.000 0.529 157 A N 3.233 126.057 122.820 0.008 0.000 2.613 157 A HA 0.618 4.938 4.320 -0.000 0.000 0.303 157 A C 0.163 177.751 177.584 0.007 0.000 0.915 157 A CA -0.259 51.782 52.037 0.007 0.000 0.654 157 A CB -0.203 18.801 19.000 0.007 0.000 1.280 157 A HN 2.257 nan 8.150 nan 0.000 0.407 158 G N -0.418 108.385 108.800 0.005 0.000 2.352 158 G HA2 0.468 4.428 3.960 -0.000 0.000 0.324 158 G HA3 0.468 4.428 3.960 -0.000 0.000 0.324 158 G C 0.699 175.602 174.900 0.004 0.000 1.249 158 G CA 0.682 45.785 45.100 0.005 0.000 1.053 158 G HN 2.380 nan 8.290 nan 0.000 0.492 159 S N -1.156 114.546 115.700 0.004 0.000 2.540 159 S HA 0.451 4.921 4.470 -0.000 0.000 0.218 159 S C 0.853 175.455 174.600 0.004 0.000 0.977 159 S CA 0.860 59.062 58.200 0.004 0.000 0.918 159 S CB 0.318 63.520 63.200 0.004 0.000 0.806 159 S HN 1.357 nan 8.310 nan 0.000 0.496 160 V N 2.573 122.490 119.914 0.005 0.000 2.572 160 V HA 0.447 4.567 4.120 -0.000 0.000 0.291 160 V C 0.643 176.739 176.094 0.004 0.000 1.039 160 V CA 0.477 62.780 62.300 0.005 0.000 1.055 160 V CB 0.912 32.739 31.823 0.007 0.000 0.969 160 V HN 0.616 nan 8.190 nan 0.000 0.482 161 T N 3.405 117.960 114.554 0.003 0.000 2.901 161 T HA 0.818 5.167 4.350 -0.000 0.000 0.293 161 T C -0.042 174.658 174.700 -0.000 0.000 1.084 161 T CA 0.193 62.294 62.100 0.001 0.000 1.008 161 T CB 1.904 70.773 68.868 0.001 0.000 1.170 161 T HN 0.887 nan 8.240 nan 0.000 0.509 162 G N -0.220 108.578 108.800 -0.003 0.000 3.251 162 G HA2 0.574 4.534 3.960 -0.000 0.000 0.248 162 G HA3 0.574 4.534 3.960 -0.000 0.000 0.248 162 G C 0.185 175.081 174.900 -0.006 0.000 1.320 162 G CA -0.031 45.065 45.100 -0.005 0.000 0.982 162 G HN 1.433 nan 8.290 nan 0.000 0.575 163 V N -3.058 116.851 119.914 -0.008 0.000 3.070 163 V HA 0.596 4.716 4.120 -0.000 0.000 0.345 163 V C 1.094 177.183 176.094 -0.009 0.000 1.403 163 V CA 0.329 62.624 62.300 -0.007 0.000 1.155 163 V CB -0.056 31.762 31.823 -0.007 0.000 1.140 163 V HN 2.233 nan 8.190 nan 0.000 0.505 164 G N 1.190 109.984 108.800 -0.010 0.000 2.272 164 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.280 164 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.280 164 G C -0.380 174.512 174.900 -0.013 0.000 1.067 164 G CA 0.673 45.767 45.100 -0.011 0.000 0.902 164 G HN 0.632 nan 8.290 nan 0.000 0.500 165 L N -0.191 121.020 121.223 -0.019 0.000 2.376 165 L HA 0.564 4.904 4.340 -0.000 0.000 0.275 165 L C 0.111 176.957 176.870 -0.040 0.000 0.987 165 L CA -0.732 54.093 54.840 -0.026 0.000 0.828 165 L CB 2.015 44.058 42.059 -0.027 0.000 1.249 165 L HN 0.323 nan 8.230 nan 0.000 0.409 166 E N 4.593 124.765 120.200 -0.046 0.000 2.191 166 E HA 0.618 4.968 4.350 -0.000 0.000 0.274 166 E C -1.154 175.391 176.600 -0.090 0.000 0.948 166 E CA -0.637 55.721 56.400 -0.069 0.000 0.802 166 E CB 1.950 31.610 29.700 -0.065 0.000 1.137 166 E HN 0.556 nan 8.360 nan 0.000 0.397 167 I N -0.285 120.209 120.570 -0.127 0.000 3.067 167 I HA 0.736 4.906 4.170 -0.000 0.000 0.312 167 I C -0.232 175.761 176.117 -0.207 0.000 1.073 167 I CA -0.640 60.566 61.300 -0.158 0.000 1.016 167 I CB 2.365 40.253 38.000 -0.186 0.000 1.227 167 I HN 0.443 nan 8.210 nan 0.000 0.456 168 T N 0.156 114.574 114.554 -0.227 0.000 2.665 168 T HA 0.506 4.856 4.350 -0.000 0.000 0.303 168 T C -1.721 172.792 174.700 -0.312 0.000 1.334 168 T CA -0.445 61.518 62.100 -0.228 0.000 1.011 168 T CB 0.986 69.812 68.868 -0.070 0.000 1.573 168 T HN 0.532 nan 8.240 nan 0.000 0.492 169 Y N 1.314 121.604 120.300 -0.017 0.000 2.488 169 Y HA 0.426 4.976 4.550 -0.000 0.000 0.325 169 Y C 0.495 176.463 175.900 0.113 0.000 1.204 169 Y CA -0.910 57.160 58.100 -0.051 0.000 1.229 169 Y CB 0.680 38.971 38.460 -0.282 0.000 1.274 169 Y HN 0.645 nan 8.280 nan 0.000 0.493 170 D N -0.156 120.389 120.400 0.241 0.000 2.425 170 D HA 0.057 4.697 4.640 -0.000 0.000 0.247 170 D C 0.666 177.070 176.300 0.173 0.000 1.147 170 D CA -0.401 53.704 54.000 0.175 0.000 0.879 170 D CB 0.825 41.682 40.800 0.095 0.000 1.179 170 D HN 0.767 nan 8.370 nan 0.000 0.456 171 G N 1.656 110.545 108.800 0.147 0.000 2.894 171 G HA2 0.420 4.380 3.960 -0.000 0.000 0.265 171 G HA3 0.420 4.380 3.960 -0.000 0.000 0.265 171 G C 0.659 175.604 174.900 0.074 0.000 0.735 171 G CA -0.236 44.939 45.100 0.125 0.000 2.064 171 G HN 1.016 nan 8.290 nan 0.000 0.590 172 G N -0.573 108.277 108.800 0.083 0.000 2.372 172 G HA2 0.064 4.024 3.960 -0.000 0.000 0.207 172 G HA3 0.064 4.024 3.960 -0.000 0.000 0.207 172 G C -0.194 174.739 174.900 0.055 0.000 1.473 172 G CA -0.569 44.565 45.100 0.056 0.000 1.183 172 G HN 0.441 nan 8.290 nan 0.000 0.607 173 S N 0.880 116.611 115.700 0.053 0.000 3.065 173 S HA 0.414 4.884 4.470 -0.000 0.000 0.311 173 S C 1.835 176.448 174.600 0.022 0.000 1.204 173 S CA 0.664 58.885 58.200 0.034 0.000 1.040 173 S CB 0.187 63.389 63.200 0.002 0.000 1.436 173 S HN 1.265 nan 8.310 nan 0.000 0.532 174 G N 3.390 112.208 108.800 0.031 0.000 2.403 174 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.216 174 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.216 174 G C 0.797 175.709 174.900 0.021 0.000 1.154 174 G CA 0.842 45.959 45.100 0.028 0.000 0.784 174 G HN 0.619 nan 8.290 nan 0.000 0.538 175 K N -1.844 118.571 120.400 0.025 0.000 2.860 175 K HA 0.125 4.445 4.320 -0.000 0.000 0.302 175 K C -0.922 175.715 176.600 0.061 0.000 2.811 175 K CA -0.197 56.101 56.287 0.018 0.000 1.485 175 K CB 0.075 32.593 32.500 0.031 0.000 3.188 175 K HN -0.049 nan 8.250 nan 0.000 0.463 176 D N 1.367 121.823 120.400 0.093 0.000 6.709 176 D HA -0.133 4.507 4.640 -0.000 0.000 0.225 176 D C -0.831 175.565 176.300 0.161 0.000 1.662 176 D CA 0.674 54.740 54.000 0.110 0.000 1.553 176 D CB -0.178 40.662 40.800 0.066 0.000 0.972 176 D HN 0.046 nan 8.370 nan 0.000 0.579 177 V N 2.552 122.511 119.914 0.076 0.000 2.394 177 V HA 0.504 4.624 4.120 -0.000 0.000 0.282 177 V C 0.816 176.882 176.094 -0.047 0.000 1.031 177 V CA -0.579 61.696 62.300 -0.041 0.000 0.881 177 V CB 1.605 33.367 31.823 -0.102 0.000 0.982 177 V HN 0.483 nan 8.190 nan 0.000 0.451 178 V N 3.233 123.123 119.914 -0.041 0.000 3.126 178 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 178 V C -0.279 175.824 176.094 0.014 0.000 1.138 178 V CA -0.975 61.328 62.300 0.004 0.000 1.034 178 V CB 2.047 33.923 31.823 0.087 0.000 1.075 178 V HN 0.395 nan 8.190 nan 0.000 0.442 179 V N 2.212 122.150 119.914 0.040 0.000 2.508 179 V HA 0.156 4.276 4.120 -0.000 0.000 0.281 179 V C 1.059 177.227 176.094 0.123 0.000 1.041 179 V CA 0.344 62.669 62.300 0.043 0.000 1.016 179 V CB 0.824 32.671 31.823 0.040 0.000 0.984 179 V HN 0.899 nan 8.190 nan 0.000 0.478 180 L N 3.749 124.976 121.223 0.006 0.000 2.185 180 L HA 0.234 4.574 4.340 -0.000 0.000 0.198 180 L C 0.621 177.475 176.870 -0.026 0.000 1.079 180 L CA 1.158 55.926 54.840 -0.120 0.000 0.780 180 L CB 0.859 42.774 42.059 -0.240 0.000 0.955 180 L HN 0.705 nan 8.230 nan 0.000 0.462 181 T N 1.878 116.414 114.554 -0.030 0.000 2.928 181 T HA 0.409 4.758 4.350 -0.000 0.000 0.296 181 T C -2.691 172.008 174.700 -0.003 0.000 1.000 181 T CA -0.895 61.201 62.100 -0.006 0.000 0.989 181 T CB 2.101 70.957 68.868 -0.020 0.000 1.005 181 T HN 0.023 nan 8.240 nan 0.000 0.442 182 P HA 0.460 nan 4.420 nan 0.000 0.295 182 P C -0.628 176.674 177.300 0.004 0.000 1.354 182 P CA -0.571 62.533 63.100 0.007 0.000 0.814 182 P CB 0.411 32.120 31.700 0.015 0.000 0.935 183 A N 6.916 129.734 122.820 -0.004 0.000 2.548 183 A HA 0.269 4.588 4.320 -0.000 0.000 0.247 183 A C -1.946 175.636 177.584 -0.003 0.000 1.067 183 A CA -0.924 51.110 52.037 -0.006 0.000 0.757 183 A CB -1.204 17.790 19.000 -0.010 0.000 0.996 183 A HN 0.376 nan 8.150 nan 0.000 0.504 184 P HA 0.117 nan 4.420 nan 0.000 0.258 184 P C 1.047 178.344 177.300 -0.004 0.000 1.172 184 P CA 2.022 65.120 63.100 -0.002 0.000 0.762 184 P CB 0.321 32.020 31.700 -0.001 0.000 0.764 185 G N 2.453 111.252 108.800 -0.002 0.000 2.179 185 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.257 185 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.257 185 G C 0.581 175.478 174.900 -0.004 0.000 1.010 185 G CA -0.077 45.021 45.100 -0.003 0.000 0.736 185 G HN 0.873 nan 8.290 nan 0.000 0.513 186 G N -0.776 108.022 108.800 -0.003 0.000 2.488 186 G HA2 0.670 4.629 3.960 -0.000 0.000 0.318 186 G HA3 0.670 4.629 3.960 -0.000 0.000 0.318 186 G C -0.582 174.316 174.900 -0.002 0.000 1.188 186 G CA -0.574 44.523 45.100 -0.004 0.000 0.944 186 G HN 0.038 nan 8.290 nan 0.000 0.495 187 P HA -0.232 nan 4.420 nan 0.000 0.214 187 P C 2.198 179.497 177.300 -0.001 0.000 1.169 187 P CA 2.664 65.763 63.100 -0.002 0.000 0.908 187 P CB 0.108 31.807 31.700 -0.002 0.000 0.791 188 A N -0.270 122.549 122.820 -0.002 0.000 1.908 188 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 188 A C 2.383 179.968 177.584 0.002 0.000 1.181 188 A CA 1.852 53.889 52.037 -0.001 0.000 0.627 188 A CB -1.384 17.614 19.000 -0.004 0.000 0.818 188 A HN 0.183 nan 8.150 nan 0.000 0.445 189 E N 0.096 120.297 120.200 0.001 0.000 2.038 189 E HA -0.235 4.114 4.350 -0.000 0.000 0.195 189 E C 1.865 178.467 176.600 0.004 0.000 1.000 189 E CA 1.435 57.838 56.400 0.004 0.000 0.803 189 E CB -0.178 29.523 29.700 0.003 0.000 0.750 189 E HN 0.483 nan 8.360 nan 0.000 0.448 190 K N -0.080 120.321 120.400 0.002 0.000 2.074 190 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 190 K C 2.004 178.606 176.600 0.003 0.000 1.048 190 K CA 1.144 57.432 56.287 0.002 0.000 0.926 190 K CB -0.283 32.217 32.500 0.000 0.000 0.713 190 K HN 0.139 nan 8.250 nan 0.000 0.444 191 A N 0.053 122.875 122.820 0.003 0.000 2.168 191 A HA 0.105 4.424 4.320 -0.000 0.000 0.215 191 A C 1.463 179.050 177.584 0.006 0.000 1.152 191 A CA 1.411 53.451 52.037 0.004 0.000 0.716 191 A CB -0.186 18.817 19.000 0.004 0.000 0.794 191 A HN 0.462 nan 8.150 nan 0.000 0.465 192 G N -2.531 106.273 108.800 0.007 0.000 2.168 192 G HA2 0.171 4.131 3.960 -0.000 0.000 0.197 192 G HA3 0.171 4.131 3.960 -0.000 0.000 0.197 192 G C 0.349 175.255 174.900 0.010 0.000 0.997 192 G CA 0.066 45.171 45.100 0.009 0.000 0.658 192 G HN 1.519 nan 8.290 nan 0.000 0.513 193 A N 0.309 123.135 122.820 0.009 0.000 2.520 193 A HA 0.699 5.018 4.320 -0.000 0.000 0.245 193 A C 0.742 178.335 177.584 0.015 0.000 1.072 193 A CA 0.618 52.660 52.037 0.009 0.000 0.761 193 A CB 0.184 19.187 19.000 0.005 0.000 1.004 193 A HN 0.578 nan 8.150 nan 0.000 0.499 194 R N 1.464 121.975 120.500 0.018 0.000 2.832 194 R HA 0.619 4.959 4.340 -0.000 0.000 0.271 194 R C 0.112 176.441 176.300 0.048 0.000 0.996 194 R CA -0.361 55.756 56.100 0.029 0.000 0.977 194 R CB 1.791 32.104 30.300 0.022 0.000 1.168 194 R HN 0.866 nan 8.270 nan 0.000 0.482 195 A N 0.857 123.724 122.820 0.080 0.000 2.546 195 A HA 0.390 4.709 4.320 -0.000 0.000 0.243 195 A C 1.234 178.893 177.584 0.126 0.000 1.063 195 A CA 1.111 53.245 52.037 0.161 0.000 0.757 195 A CB -0.633 18.500 19.000 0.222 0.000 0.991 195 A HN 0.944 nan 8.150 nan 0.000 0.503 196 G N 2.009 110.915 108.800 0.178 0.000 2.234 196 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.235 196 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.235 196 G C -0.009 174.877 174.900 -0.025 0.000 0.997 196 G CA 0.234 45.328 45.100 -0.010 0.000 0.623 196 G HN 0.811 nan 8.290 nan 0.000 0.514 197 D N 0.950 121.344 120.400 -0.010 0.000 2.424 197 D HA 0.422 5.061 4.640 -0.000 0.000 0.244 197 D C 0.881 177.115 176.300 -0.109 0.000 1.134 197 D CA 0.032 53.995 54.000 -0.061 0.000 0.881 197 D CB 1.623 42.402 40.800 -0.035 0.000 1.191 197 D HN 0.188 nan 8.370 nan 0.000 0.445 198 V N 3.849 123.610 119.914 -0.255 0.000 2.555 198 V HA 0.110 4.230 4.120 -0.000 0.000 0.286 198 V C 0.784 176.736 176.094 -0.235 0.000 1.044 198 V CA -0.329 61.787 62.300 -0.306 0.000 1.026 198 V CB 0.659 32.124 31.823 -0.596 0.000 0.981 198 V HN 0.331 nan 8.190 nan 0.000 0.480 199 I N 5.209 125.709 120.570 -0.116 0.000 2.312 199 I HA 0.170 4.339 4.170 -0.000 0.000 0.291 199 I C 0.930 177.029 176.117 -0.030 0.000 1.031 199 I CA -0.054 61.208 61.300 -0.063 0.000 1.293 199 I CB 1.450 39.422 38.000 -0.046 0.000 1.403 199 I HN 0.429 nan 8.210 nan 0.000 0.484 200 V N 3.956 123.874 119.914 0.006 0.000 2.283 200 V HA -0.027 4.093 4.120 -0.000 0.000 0.239 200 V C 0.982 177.098 176.094 0.036 0.000 1.035 200 V CA 1.437 63.768 62.300 0.051 0.000 1.018 200 V CB -0.423 31.458 31.823 0.095 0.000 0.658 200 V HN 0.871 nan 8.190 nan 0.000 0.459 201 T N -2.063 112.509 114.554 0.030 0.000 2.906 201 T HA 0.725 5.075 4.350 -0.000 0.000 0.295 201 T C -1.070 173.638 174.700 0.014 0.000 1.075 201 T CA -0.591 61.523 62.100 0.023 0.000 1.005 201 T CB 2.260 71.144 68.868 0.026 0.000 1.136 201 T HN -0.080 nan 8.240 nan 0.000 0.498 202 V N 2.148 122.069 119.914 0.012 0.000 2.380 202 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 202 V C -0.634 175.467 176.094 0.011 0.000 1.015 202 V CA -0.674 61.631 62.300 0.008 0.000 0.834 202 V CB 0.629 32.453 31.823 0.002 0.000 1.009 202 V HN 1.119 nan 8.190 nan 0.000 0.428 203 D N 4.576 124.982 120.400 0.011 0.000 2.737 203 D HA -0.178 4.462 4.640 -0.000 0.000 0.238 203 D C 1.371 177.679 176.300 0.014 0.000 1.157 203 D CA 1.853 55.860 54.000 0.012 0.000 0.694 203 D CB -0.960 39.847 40.800 0.011 0.000 1.021 203 D HN 1.331 nan 8.370 nan 0.000 0.420 204 G N -1.037 107.772 108.800 0.016 0.000 2.284 204 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.261 204 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.261 204 G C 0.602 175.514 174.900 0.020 0.000 0.997 204 G CA 0.722 45.833 45.100 0.017 0.000 0.621 204 G HN 0.572 nan 8.290 nan 0.000 0.534 205 T N 1.849 116.415 114.554 0.020 0.000 2.771 205 T HA 0.632 4.982 4.350 -0.000 0.000 0.291 205 T C 0.571 175.286 174.700 0.025 0.000 0.954 205 T CA 0.466 62.580 62.100 0.023 0.000 1.045 205 T CB 1.513 70.394 68.868 0.023 0.000 0.917 205 T HN 1.265 nan 8.240 nan 0.000 0.484 206 A N 3.122 125.959 122.820 0.029 0.000 2.484 206 A HA 0.310 4.629 4.320 -0.000 0.000 0.268 206 A C 1.525 179.130 177.584 0.035 0.000 1.114 206 A CA -0.549 51.508 52.037 0.033 0.000 0.780 206 A CB -0.152 18.870 19.000 0.036 0.000 1.061 206 A HN 0.950 nan 8.150 nan 0.000 0.505 207 V N 1.313 121.247 119.914 0.032 0.000 3.541 207 V HA 0.079 4.199 4.120 -0.000 0.000 0.267 207 V C 0.957 177.082 176.094 0.051 0.000 1.213 207 V CA 0.787 63.107 62.300 0.033 0.000 1.149 207 V CB -1.190 30.640 31.823 0.012 0.000 0.822 207 V HN 0.777 nan 8.190 nan 0.000 0.462 208 K N 1.379 121.812 120.400 0.055 0.000 2.511 208 K HA 0.247 4.566 4.320 -0.000 0.000 0.280 208 K C 1.343 177.988 176.600 0.076 0.000 1.008 208 K CA 1.130 57.459 56.287 0.071 0.000 1.050 208 K CB -0.006 32.532 32.500 0.062 0.000 0.889 208 K HN 0.761 nan 8.250 nan 0.000 0.484 209 G N 3.193 112.051 108.800 0.097 0.000 2.245 209 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 209 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 209 G C 0.221 175.180 174.900 0.097 0.000 0.985 209 G CA 0.462 45.598 45.100 0.061 0.000 0.625 209 G HN 0.526 nan 8.290 nan 0.000 0.536 210 L N 1.742 123.041 121.223 0.127 0.000 2.452 210 L HA 0.466 4.806 4.340 -0.000 0.000 0.267 210 L C 1.623 178.606 176.870 0.188 0.000 1.188 210 L CA 0.059 54.972 54.840 0.122 0.000 0.821 210 L CB 0.922 43.031 42.059 0.084 0.000 1.102 210 L HN 0.468 nan 8.230 nan 0.000 0.470 211 S N 1.584 117.392 115.700 0.179 0.000 2.568 211 S HA 0.109 4.579 4.470 -0.000 0.000 0.282 211 S C 1.090 175.750 174.600 0.100 0.000 1.338 211 S CA -0.606 57.736 58.200 0.236 0.000 1.045 211 S CB 0.603 63.981 63.200 0.297 0.000 0.873 211 S HN 0.562 nan 8.310 nan 0.000 0.516 212 L N 1.616 122.800 121.223 -0.065 0.000 2.191 212 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 212 L C 1.976 178.672 176.870 -0.290 0.000 1.103 212 L CA 1.340 55.983 54.840 -0.329 0.000 0.769 212 L CB -0.776 40.964 42.059 -0.532 0.000 0.908 212 L HN 0.777 nan 8.230 nan 0.000 0.438 213 Y N -0.149 120.151 120.300 0.000 0.000 2.200 213 Y HA -0.221 4.329 4.550 -0.000 0.000 0.290 213 Y C 2.452 178.350 175.900 -0.004 0.000 1.137 213 Y CA 0.936 59.033 58.100 -0.004 0.000 1.163 213 Y CB -0.540 37.919 38.460 -0.002 0.000 0.988 213 Y HN 0.151 nan 8.280 nan 0.000 0.518 214 D N -0.005 120.498 120.400 0.172 0.000 2.104 214 D HA -0.165 4.474 4.640 -0.000 0.000 0.194 214 D C 2.364 178.691 176.300 0.045 0.000 0.994 214 D CA 1.704 55.763 54.000 0.099 0.000 0.830 214 D CB -0.560 40.296 40.800 0.093 0.000 0.959 214 D HN 0.169 nan 8.370 nan 0.000 0.452 215 V N 0.811 120.730 119.914 0.007 0.000 2.287 215 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 215 V C 2.518 178.594 176.094 -0.030 0.000 1.053 215 V CA 1.864 64.148 62.300 -0.027 0.000 1.027 215 V CB -0.882 30.897 31.823 -0.073 0.000 0.646 215 V HN 0.110 nan 8.190 nan 0.000 0.447 216 S N -0.070 115.604 115.700 -0.044 0.000 2.387 216 S HA -0.267 4.203 4.470 -0.000 0.000 0.230 216 S C 1.767 176.367 174.600 -0.001 0.000 1.035 216 S CA 1.825 60.006 58.200 -0.031 0.000 1.014 216 S CB -0.514 62.669 63.200 -0.028 0.000 0.836 216 S HN 0.638 nan 8.310 nan 0.000 0.466 217 D N 1.266 121.678 120.400 0.020 0.000 2.117 217 D HA -0.017 4.622 4.640 -0.000 0.000 0.198 217 D C 1.945 178.254 176.300 0.016 0.000 0.982 217 D CA 0.714 54.730 54.000 0.025 0.000 0.828 217 D CB -0.358 40.465 40.800 0.039 0.000 0.967 217 D HN 0.319 nan 8.370 nan 0.000 0.464 218 L N 0.177 121.407 121.223 0.012 0.000 2.012 218 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 218 L C 2.466 179.338 176.870 0.003 0.000 1.073 218 L CA 0.848 55.693 54.840 0.009 0.000 0.748 218 L CB -0.415 41.649 42.059 0.007 0.000 0.891 218 L HN 0.040 nan 8.230 nan 0.000 0.431 219 L N -1.105 120.116 121.223 -0.004 0.000 2.376 219 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 219 L C 1.034 177.901 176.870 -0.004 0.000 1.133 219 L CA 0.370 55.206 54.840 -0.007 0.000 0.816 219 L CB -0.216 41.833 42.059 -0.018 0.000 0.933 219 L HN 0.323 nan 8.230 nan 0.000 0.449 220 Q N -0.576 119.224 119.800 0.000 0.000 2.227 220 Q HA 0.592 4.932 4.340 -0.000 0.000 0.245 220 Q C 0.042 176.045 176.000 0.006 0.000 0.926 220 Q CA -0.018 55.787 55.803 0.003 0.000 0.895 220 Q CB 1.900 30.642 28.738 0.006 0.000 1.230 220 Q HN 0.178 nan 8.270 nan 0.000 0.450 221 G N 0.423 109.227 108.800 0.005 0.000 2.428 221 G HA2 0.101 4.061 3.960 -0.000 0.000 0.304 221 G HA3 0.101 4.061 3.960 -0.000 0.000 0.304 221 G C -1.502 173.401 174.900 0.005 0.000 1.303 221 G CA -0.897 44.207 45.100 0.006 0.000 0.825 221 G HN 0.487 nan 8.290 nan 0.000 0.484 222 E N 0.258 120.461 120.200 0.006 0.000 2.568 222 E HA 0.342 4.692 4.350 -0.000 0.000 0.262 222 E C 0.937 177.540 176.600 0.004 0.000 0.961 222 E CA 0.500 56.903 56.400 0.005 0.000 0.945 222 E CB 0.536 30.239 29.700 0.005 0.000 0.924 222 E HN 1.042 nan 8.360 nan 0.000 0.467 223 A N 3.458 126.280 122.820 0.003 0.000 2.598 223 A HA -0.096 4.224 4.320 -0.000 0.000 0.239 223 A C 0.376 177.961 177.584 0.002 0.000 1.032 223 A CA 0.570 52.609 52.037 0.002 0.000 0.760 223 A CB -0.269 18.732 19.000 0.002 0.000 0.946 223 A HN 0.737 nan 8.150 nan 0.000 0.512 224 D N -0.229 120.172 120.400 0.001 0.000 3.067 224 D HA -0.205 4.435 4.640 -0.000 0.000 0.216 224 D C 0.679 176.980 176.300 0.002 0.000 1.162 224 D CA 1.867 55.867 54.000 0.001 0.000 0.960 224 D CB -1.902 38.898 40.800 0.000 0.000 1.129 224 D HN 1.058 nan 8.370 nan 0.000 0.408 225 S N -1.236 114.465 115.700 0.002 0.000 2.655 225 S HA 0.475 4.945 4.470 -0.000 0.000 0.265 225 S C 0.205 174.807 174.600 0.003 0.000 1.240 225 S CA -0.602 57.599 58.200 0.003 0.000 0.986 225 S CB 2.086 65.288 63.200 0.004 0.000 0.985 225 S HN 0.183 nan 8.310 nan 0.000 0.562 226 Q N -0.483 119.319 119.800 0.003 0.000 2.297 226 Q HA 0.752 5.092 4.340 -0.000 0.000 0.268 226 Q C -1.558 174.445 176.000 0.004 0.000 1.045 226 Q CA -0.931 54.874 55.803 0.003 0.000 0.861 226 Q CB 2.101 30.841 28.738 0.003 0.000 1.344 226 Q HN 0.629 nan 8.270 nan 0.000 0.452 227 V N 1.132 121.048 119.914 0.004 0.000 2.891 227 V HA 0.284 4.403 4.120 -0.000 0.000 0.304 227 V C -1.694 174.403 176.094 0.004 0.000 1.171 227 V CA -0.534 61.768 62.300 0.004 0.000 0.943 227 V CB 2.130 33.954 31.823 0.003 0.000 1.037 227 V HN 0.854 nan 8.190 nan 0.000 0.427 228 E N 4.789 124.993 120.200 0.006 0.000 2.115 228 E HA 0.554 4.904 4.350 -0.000 0.000 0.282 228 E C -1.565 175.039 176.600 0.007 0.000 0.987 228 E CA -0.366 56.038 56.400 0.007 0.000 0.797 228 E CB 1.680 31.385 29.700 0.009 0.000 1.086 228 E HN 0.602 nan 8.360 nan 0.000 0.397 229 V N 5.166 125.084 119.914 0.007 0.000 2.448 229 V HA 0.275 4.394 4.120 -0.000 0.000 0.295 229 V C -0.167 175.934 176.094 0.011 0.000 1.025 229 V CA -0.844 61.460 62.300 0.005 0.000 0.859 229 V CB 1.750 33.573 31.823 -0.001 0.000 0.988 229 V HN 0.466 nan 8.190 nan 0.000 0.431 230 V N 6.546 126.470 119.914 0.016 0.000 2.370 230 V HA 0.557 4.677 4.120 -0.000 0.000 0.283 230 V C -0.168 175.944 176.094 0.029 0.000 1.023 230 V CA -0.405 61.912 62.300 0.028 0.000 0.857 230 V CB 1.395 33.242 31.823 0.039 0.000 0.985 230 V HN 0.676 nan 8.190 nan 0.000 0.443 231 L N 3.540 124.781 121.223 0.031 0.000 2.303 231 L HA 0.832 5.172 4.340 -0.000 0.000 0.256 231 L C -0.716 176.194 176.870 0.067 0.000 1.034 231 L CA -0.590 54.255 54.840 0.008 0.000 0.832 231 L CB 2.248 44.285 42.059 -0.036 0.000 1.403 231 L HN 0.868 nan 8.230 nan 0.000 0.419 232 H N -0.835 118.241 119.070 0.010 0.000 3.016 232 H HA 0.733 5.289 4.556 -0.000 0.000 0.362 232 H C -1.107 174.225 175.328 0.007 0.000 1.233 232 H CA -0.736 55.317 56.048 0.008 0.000 1.124 232 H CB 1.899 31.665 29.762 0.007 0.000 1.850 232 H HN 0.936 nan 8.280 nan 0.000 0.549 233 A N 2.343 125.261 122.820 0.164 0.000 2.445 233 A HA 0.312 4.632 4.320 -0.000 0.000 0.242 233 A C -2.262 175.408 177.584 0.144 0.000 1.075 233 A CA -1.293 50.796 52.037 0.087 0.000 0.777 233 A CB -0.589 18.457 19.000 0.077 0.000 1.013 233 A HN 0.551 nan 8.150 nan 0.000 0.493 234 P HA 0.162 nan 4.420 nan 0.000 0.264 234 P C 0.932 178.297 177.300 0.109 0.000 1.193 234 P CA 1.681 64.817 63.100 0.060 0.000 0.763 234 P CB 0.523 32.218 31.700 -0.009 0.000 0.810 235 G N 2.313 111.204 108.800 0.152 0.000 2.184 235 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.264 235 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.264 235 G C 0.352 175.286 174.900 0.056 0.000 0.975 235 G CA 0.127 45.281 45.100 0.089 0.000 0.642 235 G HN 0.898 nan 8.290 nan 0.000 0.536 236 A N 0.160 123.039 122.820 0.097 0.000 3.105 236 A HA 0.785 5.105 4.320 -0.000 0.000 0.336 236 A C -0.798 176.625 177.584 -0.268 0.000 1.042 236 A CA -0.316 51.706 52.037 -0.025 0.000 0.851 236 A CB 0.941 19.959 19.000 0.031 0.000 1.068 236 A HN 0.064 nan 8.150 nan 0.000 0.477 237 P HA -0.187 nan 4.420 nan 0.000 0.223 237 P C 1.651 178.710 177.300 -0.401 0.000 1.144 237 P CA 1.961 64.415 63.100 -1.077 0.000 0.783 237 P CB 0.152 31.496 31.700 -0.593 0.000 0.771 238 S N -0.161 115.408 115.700 -0.219 0.000 2.336 238 S HA -0.106 4.364 4.470 -0.000 0.000 0.216 238 S C 1.553 176.122 174.600 -0.052 0.000 1.032 238 S CA 0.624 58.763 58.200 -0.101 0.000 0.973 238 S CB -1.822 61.338 63.200 -0.067 0.000 0.888 238 S HN 0.024 nan 8.310 nan 0.000 0.455 239 N N 3.682 122.363 118.700 -0.031 0.000 3.026 239 N HA 0.008 4.748 4.740 -0.000 0.000 0.320 239 N C -0.038 175.506 175.510 0.057 0.000 1.260 239 N CA 0.517 53.576 53.050 0.015 0.000 1.139 239 N CB -0.987 37.515 38.487 0.025 0.000 1.416 239 N HN 0.708 nan 8.380 nan 0.000 0.565 240 T N -1.348 113.234 114.554 0.046 0.000 2.918 240 T HA 0.482 4.832 4.350 -0.000 0.000 0.283 240 T C 0.023 174.755 174.700 0.052 0.000 1.001 240 T CA -0.808 61.340 62.100 0.080 0.000 1.041 240 T CB 1.517 70.442 68.868 0.096 0.000 1.028 240 T HN 0.038 nan 8.240 nan 0.000 0.511 241 R N 1.001 121.533 120.500 0.052 0.000 2.621 241 R HA 0.493 4.833 4.340 -0.000 0.000 0.292 241 R C -1.093 175.225 176.300 0.030 0.000 0.969 241 R CA -0.611 55.509 56.100 0.034 0.000 0.887 241 R CB 2.024 32.341 30.300 0.029 0.000 1.180 241 R HN 0.879 nan 8.270 nan 0.000 0.450 242 T N 4.979 119.547 114.554 0.022 0.000 2.947 242 T HA 0.410 4.760 4.350 -0.000 0.000 0.337 242 T C 0.234 174.943 174.700 0.014 0.000 1.139 242 T CA -0.474 61.637 62.100 0.019 0.000 0.992 242 T CB 0.249 69.127 68.868 0.018 0.000 1.043 242 T HN 0.239 nan 8.240 nan 0.000 0.498 243 L N 3.206 124.437 121.223 0.012 0.000 2.319 243 L HA 0.377 4.717 4.340 -0.000 0.000 0.280 243 L C 0.573 177.447 176.870 0.007 0.000 1.099 243 L CA -0.661 54.184 54.840 0.009 0.000 0.828 243 L CB 0.556 42.619 42.059 0.007 0.000 1.150 243 L HN 0.303 nan 8.230 nan 0.000 0.442 244 Q N 4.896 124.700 119.800 0.006 0.000 2.398 244 Q HA 0.517 4.857 4.340 -0.000 0.000 0.251 244 Q C -0.872 175.130 176.000 0.004 0.000 0.999 244 Q CA -0.172 55.634 55.803 0.005 0.000 0.874 244 Q CB 1.680 30.422 28.738 0.005 0.000 1.215 244 Q HN 0.559 nan 8.270 nan 0.000 0.470 245 L N 1.531 122.756 121.223 0.003 0.000 2.329 245 L HA 0.519 4.859 4.340 -0.000 0.000 0.279 245 L C 0.263 177.133 176.870 0.001 0.000 1.014 245 L CA -0.651 54.190 54.840 0.002 0.000 0.814 245 L CB 2.043 44.102 42.059 0.000 0.000 1.257 245 L HN 0.299 nan 8.230 nan 0.000 0.424 246 T N 2.607 117.161 114.554 0.001 0.000 2.744 246 T HA 0.316 4.666 4.350 -0.000 0.000 0.291 246 T C 0.128 174.828 174.700 -0.000 0.000 0.957 246 T CA -0.495 61.605 62.100 0.001 0.000 1.002 246 T CB 0.424 69.292 68.868 0.000 0.000 0.919 246 T HN 0.395 nan 8.240 nan 0.000 0.468 247 R N 3.699 124.199 120.500 0.000 0.000 2.351 247 R HA 0.297 4.637 4.340 -0.000 0.000 0.318 247 R C -0.312 175.987 176.300 -0.001 0.000 1.055 247 R CA -0.135 55.965 56.100 -0.001 0.000 0.968 247 R CB 0.176 30.476 30.300 0.000 0.000 0.974 247 R HN 0.592 nan 8.270 nan 0.000 0.439 248 Q N 1.741 121.539 119.800 -0.002 0.000 2.353 248 Q HA 0.281 4.621 4.340 -0.000 0.000 0.275 248 Q C -1.372 174.626 176.000 -0.003 0.000 1.029 248 Q CA -1.080 54.721 55.803 -0.002 0.000 0.848 248 Q CB 1.605 30.342 28.738 -0.002 0.000 1.390 248 Q HN 0.215 nan 8.270 nan 0.000 0.401 249 K N 0.657 121.055 120.400 -0.003 0.000 2.524 249 K HA 0.246 4.566 4.320 -0.000 0.000 0.279 249 K C -0.760 175.838 176.600 -0.005 0.000 0.993 249 K CA 0.194 56.479 56.287 -0.003 0.000 1.030 249 K CB 0.420 32.919 32.500 -0.003 0.000 0.891 249 K HN 0.351 nan 8.250 nan 0.000 0.488 250 V N 3.904 123.814 119.914 -0.006 0.000 2.340 250 V HA 0.098 4.218 4.120 -0.000 0.000 0.277 250 V C -0.397 175.691 176.094 -0.009 0.000 1.017 250 V CA -0.844 61.452 62.300 -0.007 0.000 0.820 250 V CB 1.342 33.160 31.823 -0.008 0.000 1.028 250 V HN 0.807 nan 8.190 nan 0.000 0.436 251 T N 5.636 120.185 114.554 -0.009 0.000 2.897 251 T HA 0.668 5.017 4.350 -0.000 0.000 0.294 251 T C -0.300 174.392 174.700 -0.014 0.000 1.004 251 T CA 0.037 62.130 62.100 -0.011 0.000 1.106 251 T CB 1.668 70.530 68.868 -0.011 0.000 0.949 251 T HN 0.413 nan 8.240 nan 0.000 0.520 252 I N 2.051 122.611 120.570 -0.017 0.000 2.647 252 I HA 0.394 4.564 4.170 -0.000 0.000 0.295 252 I C -0.684 175.415 176.117 -0.028 0.000 1.078 252 I CA -0.788 60.499 61.300 -0.022 0.000 1.048 252 I CB 2.298 40.284 38.000 -0.023 0.000 1.239 252 I HN 0.619 nan 8.210 nan 0.000 0.421 253 N N 6.792 125.472 118.700 -0.034 0.000 2.419 253 N HA 0.470 5.210 4.740 -0.000 0.000 0.277 253 N C -1.904 173.568 175.510 -0.062 0.000 1.006 253 N CA -1.608 51.417 53.050 -0.041 0.000 0.923 253 N CB 1.687 40.152 38.487 -0.035 0.000 1.140 253 N HN 0.306 nan 8.380 nan 0.000 0.488 254 P HA -0.032 nan 4.420 nan 0.000 0.217 254 P C -0.488 176.722 177.300 -0.151 0.000 1.151 254 P CA 0.716 63.740 63.100 -0.125 0.000 0.828 254 P CB 0.530 32.149 31.700 -0.135 0.000 0.788 255 V N -0.408 119.441 119.914 -0.108 0.000 2.808 255 V HA 0.472 4.592 4.120 -0.000 0.000 0.308 255 V C -0.332 175.737 176.094 -0.042 0.000 1.099 255 V CA -0.439 61.797 62.300 -0.107 0.000 0.920 255 V CB 2.243 33.993 31.823 -0.122 0.000 1.014 255 V HN 0.195 nan 8.190 nan 0.000 0.425 256 T N 1.292 115.828 114.554 -0.029 0.000 2.900 256 T HA 0.910 5.260 4.350 -0.000 0.000 0.303 256 T C -0.981 173.775 174.700 0.094 0.000 1.142 256 T CA -0.657 61.452 62.100 0.015 0.000 1.007 256 T CB 2.200 71.069 68.868 0.001 0.000 1.156 256 T HN 1.019 nan 8.240 nan 0.000 0.490 257 F N -1.447 118.461 119.950 -0.070 0.000 2.711 257 F HA 0.919 5.446 4.527 -0.000 0.000 0.313 257 F C -0.712 175.112 175.800 0.041 0.000 1.141 257 F CA -0.853 57.113 58.000 -0.056 0.000 0.941 257 F CB 1.621 40.523 39.000 -0.163 0.000 1.349 257 F HN 0.920 nan 8.300 nan 0.000 0.464 258 T N -0.809 113.897 114.554 0.253 0.000 2.711 258 T HA 0.571 4.921 4.350 -0.000 0.000 0.302 258 T C -1.768 173.069 174.700 0.227 0.000 1.373 258 T CA -0.447 61.711 62.100 0.096 0.000 1.000 258 T CB 1.783 70.667 68.868 0.025 0.000 1.483 258 T HN 0.889 nan 8.240 nan 0.000 0.499 259 T N 1.659 116.292 114.554 0.132 0.000 2.786 259 T HA 0.527 4.877 4.350 -0.000 0.000 0.283 259 T C -0.485 174.266 174.700 0.084 0.000 0.992 259 T CA -0.312 61.868 62.100 0.133 0.000 0.954 259 T CB 0.182 69.118 68.868 0.114 0.000 0.934 259 T HN 0.726 nan 8.240 nan 0.000 0.440 260 c N 3.315 121.968 118.600 0.089 0.000 2.369 260 c HA 0.701 5.271 4.570 -0.000 0.000 0.358 260 c C 1.017 175.133 174.090 0.044 0.000 1.274 260 c CA -0.438 55.920 56.329 0.048 0.000 1.935 260 c CB 0.128 42.663 42.510 0.040 0.000 2.431 260 c HN 0.881 nan 8.230 nan 0.000 0.545 261 S N 1.529 117.244 115.700 0.026 0.000 2.704 261 S HA 0.434 4.904 4.470 -0.000 0.000 0.305 261 S C 0.160 174.770 174.600 0.016 0.000 1.107 261 S CA -0.566 57.648 58.200 0.023 0.000 0.993 261 S CB 0.842 64.053 63.200 0.018 0.000 1.110 261 S HN 0.930 nan 8.310 nan 0.000 0.534 262 N N -0.480 118.229 118.700 0.015 0.000 2.735 262 N HA -0.143 4.597 4.740 -0.000 0.000 0.248 262 N C -0.674 174.845 175.510 0.015 0.000 1.083 262 N CA 0.064 53.121 53.050 0.012 0.000 0.703 262 N CB -1.318 37.173 38.487 0.006 0.000 1.005 262 N HN 0.218 nan 8.380 nan 0.000 0.550 263 V N 0.595 120.523 119.914 0.023 0.000 2.655 263 V HA 0.353 4.473 4.120 -0.000 0.000 0.300 263 V C 1.344 177.455 176.094 0.028 0.000 1.044 263 V CA 0.043 62.361 62.300 0.030 0.000 1.095 263 V CB 0.926 32.779 31.823 0.049 0.000 0.952 263 V HN 0.430 nan 8.190 nan 0.000 0.485 264 A N 4.438 127.274 122.820 0.028 0.000 2.536 264 A HA 0.421 4.741 4.320 -0.000 0.000 0.234 264 A C 1.548 179.153 177.584 0.035 0.000 1.076 264 A CA 0.516 52.569 52.037 0.026 0.000 0.769 264 A CB 0.069 19.084 19.000 0.026 0.000 1.020 264 A HN 1.345 nan 8.150 nan 0.000 0.508 265 A N 1.228 124.065 122.820 0.029 0.000 2.016 265 A HA 0.283 4.603 4.320 -0.000 0.000 0.217 265 A C 2.255 179.868 177.584 0.047 0.000 1.162 265 A CA 1.702 53.757 52.037 0.030 0.000 0.662 265 A CB -0.892 18.120 19.000 0.019 0.000 0.812 265 A HN 1.769 nan 8.150 nan 0.000 0.450 266 A N -0.284 122.564 122.820 0.046 0.000 2.076 266 A HA 0.166 4.486 4.320 -0.000 0.000 0.220 266 A C 2.134 179.772 177.584 0.089 0.000 1.160 266 A CA 1.843 53.913 52.037 0.056 0.000 0.653 266 A CB -0.526 18.499 19.000 0.041 0.000 0.801 266 A HN 1.038 nan 8.150 nan 0.000 0.455 267 A N -1.275 121.605 122.820 0.101 0.000 2.267 267 A HA 0.535 4.855 4.320 -0.000 0.000 0.213 267 A C 0.664 178.415 177.584 0.278 0.000 1.192 267 A CA -0.257 51.876 52.037 0.160 0.000 0.851 267 A CB -0.091 18.976 19.000 0.112 0.000 0.881 267 A HN 0.380 nan 8.150 nan 0.000 0.494 268 L N 1.469 122.791 121.223 0.165 0.000 2.357 268 L HA 0.363 4.703 4.340 -0.000 0.000 0.273 268 L C -2.188 174.598 176.870 -0.141 0.000 1.080 268 L CA -2.248 52.614 54.840 0.037 0.000 0.803 268 L CB 0.971 43.015 42.059 -0.024 0.000 1.174 268 L HN 0.049 nan 8.230 nan 0.000 0.443 269 P HA 0.188 nan 4.420 nan 0.000 0.274 269 P C -2.609 174.502 177.300 -0.315 0.000 1.231 269 P CA -1.719 60.887 63.100 -0.824 0.000 0.790 269 P CB -0.395 30.611 31.700 -1.158 0.000 0.951 270 P HA 0.018 nan 4.420 nan 0.000 0.258 270 P C 0.988 178.231 177.300 -0.094 0.000 1.172 270 P CA 1.331 64.378 63.100 -0.088 0.000 0.762 270 P CB -0.543 31.133 31.700 -0.041 0.000 0.764 271 G N 2.309 111.068 108.800 -0.069 0.000 2.137 271 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.237 271 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.237 271 G C 0.391 175.249 174.900 -0.071 0.000 1.002 271 G CA -0.141 44.923 45.100 -0.059 0.000 0.702 271 G HN 0.858 nan 8.290 nan 0.000 0.515 272 A N -0.024 122.743 122.820 -0.089 0.000 2.548 272 A HA 0.683 5.003 4.320 -0.000 0.000 0.247 272 A C 1.713 179.267 177.584 -0.050 0.000 1.067 272 A CA 1.148 53.133 52.037 -0.086 0.000 0.757 272 A CB 0.364 19.307 19.000 -0.094 0.000 0.996 272 A HN 1.856 nan 8.150 nan 0.000 0.504 273 A N 2.854 125.649 122.820 -0.041 0.000 2.067 273 A HA 0.137 4.456 4.320 -0.000 0.000 0.219 273 A C 1.006 178.579 177.584 -0.018 0.000 1.158 273 A CA 1.660 53.682 52.037 -0.026 0.000 0.661 273 A CB -0.281 18.706 19.000 -0.021 0.000 0.801 273 A HN 0.940 nan 8.150 nan 0.000 0.452 274 K N -1.732 118.656 120.400 -0.020 0.000 2.555 274 K HA 0.437 4.757 4.320 -0.000 0.000 0.279 274 K C -1.363 175.234 176.600 -0.006 0.000 0.986 274 K CA -0.796 55.486 56.287 -0.009 0.000 0.880 274 K CB 0.762 33.262 32.500 -0.001 0.000 1.474 274 K HN 0.015 nan 8.250 nan 0.000 0.433 275 Q N 1.567 121.370 119.800 0.004 0.000 3.135 275 Q HA 0.141 4.481 4.340 -0.000 0.000 0.344 275 Q C -1.062 174.952 176.000 0.024 0.000 1.321 275 Q CA -0.134 55.677 55.803 0.013 0.000 1.050 275 Q CB 0.559 29.304 28.738 0.012 0.000 1.498 275 Q HN 0.458 nan 8.270 nan 0.000 0.503 276 Q N 1.657 121.475 119.800 0.030 0.000 2.268 276 Q HA 0.492 4.832 4.340 -0.000 0.000 0.266 276 Q C -1.819 174.221 176.000 0.068 0.000 1.006 276 Q CA -0.383 55.448 55.803 0.047 0.000 0.824 276 Q CB 1.615 30.377 28.738 0.040 0.000 1.306 276 Q HN 0.447 nan 8.270 nan 0.000 0.424 277 L N 1.900 123.182 121.223 0.098 0.000 2.365 277 L HA 0.733 5.073 4.340 -0.000 0.000 0.273 277 L C 0.351 177.318 176.870 0.162 0.000 1.000 277 L CA -1.094 53.831 54.840 0.143 0.000 0.819 277 L CB 2.075 44.248 42.059 0.189 0.000 1.284 277 L HN 0.738 nan 8.230 nan 0.000 0.418 278 G N 0.887 109.792 108.800 0.175 0.000 2.353 278 G HA2 0.360 4.320 3.960 -0.000 0.000 0.284 278 G HA3 0.360 4.320 3.960 -0.000 0.000 0.284 278 G C -1.675 173.368 174.900 0.238 0.000 1.172 278 G CA -0.050 45.164 45.100 0.191 0.000 0.854 278 G HN 0.493 nan 8.290 nan 0.000 0.485 279 Y N 2.901 123.270 120.300 0.116 0.000 2.350 279 Y HA 0.572 5.122 4.550 -0.000 0.000 0.338 279 Y C -0.952 174.995 175.900 0.080 0.000 0.961 279 Y CA -1.016 57.136 58.100 0.087 0.000 1.100 279 Y CB 1.997 40.496 38.460 0.065 0.000 1.179 279 Y HN 0.391 nan 8.280 nan 0.000 0.454 280 V N 7.164 126.707 119.914 -0.618 0.000 2.444 280 V HA 0.496 4.616 4.120 -0.000 0.000 0.294 280 V C -0.724 174.916 176.094 -0.757 0.000 1.022 280 V CA -0.838 61.114 62.300 -0.580 0.000 0.850 280 V CB 1.296 32.798 31.823 -0.536 0.000 0.992 280 V HN 0.624 nan 8.190 nan 0.000 0.426 281 R N 5.294 125.435 120.500 -0.599 0.000 2.246 281 R HA 0.586 4.926 4.340 -0.000 0.000 0.332 281 R C -1.201 174.952 176.300 -0.244 0.000 0.974 281 R CA -0.452 55.419 56.100 -0.382 0.000 0.837 281 R CB 0.450 30.664 30.300 -0.142 0.000 1.145 281 R HN 0.732 nan 8.270 nan 0.000 0.467 282 L N 4.647 125.724 121.223 -0.245 0.000 2.313 282 L HA 0.497 4.837 4.340 -0.000 0.000 0.273 282 L C 0.814 177.530 176.870 -0.257 0.000 1.028 282 L CA -0.653 54.000 54.840 -0.312 0.000 0.871 282 L CB 1.687 43.455 42.059 -0.485 0.000 1.242 282 L HN 0.766 nan 8.230 nan 0.000 0.434 283 A N 1.899 124.604 122.820 -0.192 0.000 2.169 283 A HA 0.146 4.466 4.320 -0.000 0.000 0.212 283 A C 0.940 178.449 177.584 -0.125 0.000 1.153 283 A CA 1.024 52.992 52.037 -0.116 0.000 0.756 283 A CB 0.104 19.062 19.000 -0.070 0.000 0.813 283 A HN 0.636 nan 8.150 nan 0.000 0.471 284 T N -3.048 111.375 114.554 -0.219 0.000 2.885 284 T HA 0.553 4.903 4.350 -0.000 0.000 0.322 284 T C -1.745 172.762 174.700 -0.322 0.000 1.387 284 T CA -0.577 61.422 62.100 -0.169 0.000 1.041 284 T CB 0.657 69.477 68.868 -0.079 0.000 1.287 284 T HN 0.061 nan 8.240 nan 0.000 0.491 285 F N 4.495 124.423 119.950 -0.037 0.000 2.293 285 F HA 0.468 4.995 4.527 -0.000 0.000 0.370 285 F C 1.042 176.823 175.800 -0.033 0.000 1.090 285 F CA -0.596 57.378 58.000 -0.043 0.000 1.133 285 F CB 0.809 39.775 39.000 -0.055 0.000 1.360 285 F HN 0.783 nan 8.300 nan 0.000 0.489 286 N N -0.883 117.861 118.700 0.073 0.000 3.283 286 N HA 0.245 4.985 4.740 -0.000 0.000 0.338 286 N C 0.557 176.091 175.510 0.040 0.000 1.517 286 N CA -0.519 52.562 53.050 0.052 0.000 0.733 286 N CB 1.043 39.539 38.487 0.016 0.000 1.797 286 N HN 0.219 nan 8.380 nan 0.000 0.637 287 S N -0.862 114.853 115.700 0.025 0.000 2.507 287 S HA -0.036 4.434 4.470 -0.000 0.000 0.235 287 S C 0.788 175.393 174.600 0.008 0.000 0.988 287 S CA 0.600 58.812 58.200 0.020 0.000 0.944 287 S CB -0.517 62.693 63.200 0.017 0.000 0.762 287 S HN 0.477 nan 8.310 nan 0.000 0.526 288 N N 1.089 119.786 118.700 -0.006 0.000 2.356 288 N HA 0.106 4.846 4.740 -0.000 0.000 0.178 288 N C 1.394 176.883 175.510 -0.035 0.000 1.075 288 N CA 1.002 54.041 53.050 -0.018 0.000 0.889 288 N CB -0.553 37.919 38.487 -0.025 0.000 0.999 288 N HN 0.434 nan 8.380 nan 0.000 0.464 289 T N 0.717 115.242 114.554 -0.048 0.000 2.597 289 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 289 T C 1.837 176.506 174.700 -0.052 0.000 1.053 289 T CA 2.118 64.161 62.100 -0.094 0.000 1.165 289 T CB -0.767 68.019 68.868 -0.137 0.000 0.863 289 T HN 0.250 nan 8.240 nan 0.000 0.427 290 T N 2.161 116.715 114.554 0.000 0.000 2.592 290 T HA -0.223 4.126 4.350 -0.000 0.000 0.267 290 T C 2.338 177.038 174.700 0.000 0.000 1.060 290 T CA 1.747 63.857 62.100 0.016 0.000 1.167 290 T CB -0.861 68.020 68.868 0.022 0.000 0.863 290 T HN 0.501 nan 8.240 nan 0.000 0.431 291 A N 1.308 124.123 122.820 -0.007 0.000 1.908 291 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 291 A C 2.656 180.224 177.584 -0.027 0.000 1.181 291 A CA 2.094 54.125 52.037 -0.010 0.000 0.627 291 A CB -1.159 17.837 19.000 -0.006 0.000 0.818 291 A HN 0.563 nan 8.150 nan 0.000 0.445 292 A N -0.307 122.489 122.820 -0.040 0.000 1.898 292 A HA 0.218 4.538 4.320 -0.000 0.000 0.216 292 A C 2.502 180.010 177.584 -0.127 0.000 1.181 292 A CA 1.949 53.953 52.037 -0.055 0.000 0.620 292 A CB -0.981 17.992 19.000 -0.045 0.000 0.819 292 A HN 1.030 nan 8.150 nan 0.000 0.442 293 A N -0.450 122.285 122.820 -0.143 0.000 1.877 293 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 293 A C 2.229 179.714 177.584 -0.164 0.000 1.186 293 A CA 1.901 53.795 52.037 -0.237 0.000 0.620 293 A CB -0.621 18.343 19.000 -0.061 0.000 0.822 293 A HN 0.616 nan 8.150 nan 0.000 0.443 294 Q N -0.407 119.391 119.800 -0.002 0.000 2.045 294 Q HA -0.296 4.044 4.340 -0.000 0.000 0.206 294 Q C 2.177 178.162 176.000 -0.026 0.000 0.991 294 Q CA 2.355 58.190 55.803 0.052 0.000 0.851 294 Q CB -0.513 28.239 28.738 0.024 0.000 0.911 294 Q HN 0.725 nan 8.270 nan 0.000 0.418 295 Q N -0.221 119.526 119.800 -0.088 0.000 2.124 295 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 295 Q C 1.925 177.747 176.000 -0.296 0.000 0.977 295 Q CA 1.691 57.425 55.803 -0.114 0.000 0.850 295 Q CB -0.191 28.519 28.738 -0.047 0.000 0.901 295 Q HN 0.495 nan 8.270 nan 0.000 0.429 296 A N -0.158 122.332 122.820 -0.550 0.000 1.873 296 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 296 A C 1.901 178.977 177.584 -0.846 0.000 1.186 296 A CA 1.152 52.439 52.037 -1.250 0.000 0.616 296 A CB -1.016 17.201 19.000 -1.305 0.000 0.823 296 A HN 0.431 nan 8.150 nan 0.000 0.442 297 F N 0.399 120.119 119.950 -0.384 0.000 2.293 297 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 297 F C 2.699 178.389 175.800 -0.184 0.000 1.086 297 F CA 1.333 59.187 58.000 -0.243 0.000 1.375 297 F CB -0.405 38.501 39.000 -0.156 0.000 1.045 297 F HN 0.140 nan 8.300 nan 0.000 0.516 298 T N -0.817 113.736 114.554 -0.002 0.000 2.737 298 T HA -0.163 4.187 4.350 -0.000 0.000 0.265 298 T C 1.900 176.582 174.700 -0.029 0.000 1.038 298 T CA 1.200 63.293 62.100 -0.010 0.000 1.144 298 T CB -0.166 68.694 68.868 -0.014 0.000 0.866 298 T HN 0.095 nan 8.240 nan 0.000 0.434 299 E N 1.076 121.226 120.200 -0.083 0.000 2.031 299 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 299 E C 2.333 178.936 176.600 0.005 0.000 0.994 299 E CA 0.943 57.330 56.400 -0.022 0.000 0.800 299 E CB -0.493 29.225 29.700 0.029 0.000 0.752 299 E HN 0.445 nan 8.360 nan 0.000 0.447 300 L N 0.381 121.576 121.223 -0.047 0.000 2.042 300 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 300 L C 2.715 179.612 176.870 0.044 0.000 1.076 300 L CA 1.392 56.248 54.840 0.025 0.000 0.749 300 L CB -0.527 41.544 42.059 0.019 0.000 0.893 300 L HN 0.083 nan 8.230 nan 0.000 0.432 301 S N -0.140 115.582 115.700 0.037 0.000 2.383 301 S HA -0.231 4.239 4.470 -0.000 0.000 0.227 301 S C 2.099 176.713 174.600 0.024 0.000 1.026 301 S CA 1.493 59.712 58.200 0.032 0.000 0.981 301 S CB -0.103 63.111 63.200 0.024 0.000 0.818 301 S HN 0.341 nan 8.310 nan 0.000 0.472 302 K N 0.365 120.778 120.400 0.022 0.000 2.103 302 K HA -0.096 4.223 4.320 -0.000 0.000 0.207 302 K C 2.058 178.675 176.600 0.028 0.000 1.048 302 K CA 1.540 57.840 56.287 0.022 0.000 0.930 302 K CB -0.170 32.344 32.500 0.024 0.000 0.716 302 K HN 0.482 nan 8.250 nan 0.000 0.444 303 Q N -0.686 119.138 119.800 0.039 0.000 2.451 303 Q HA 0.043 4.383 4.340 -0.000 0.000 0.206 303 Q C 0.483 176.503 176.000 0.034 0.000 0.947 303 Q CA 0.494 56.323 55.803 0.042 0.000 0.937 303 Q CB 0.438 29.213 28.738 0.062 0.000 1.025 303 Q HN 0.590 nan 8.270 nan 0.000 0.511 304 G N 1.959 110.777 108.800 0.030 0.000 2.314 304 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.292 304 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.292 304 G C 0.327 175.243 174.900 0.026 0.000 1.059 304 G CA 0.286 45.399 45.100 0.022 0.000 0.982 304 G HN 0.333 nan 8.290 nan 0.000 0.505 305 V N -2.795 117.143 119.914 0.041 0.000 3.096 305 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 305 V C 1.619 177.730 176.094 0.027 0.000 1.088 305 V CA 0.789 63.117 62.300 0.046 0.000 1.129 305 V CB 0.991 32.860 31.823 0.077 0.000 1.014 305 V HN 1.460 nan 8.190 nan 0.000 0.486 306 A N 2.162 124.990 122.820 0.014 0.000 2.119 306 A HA 0.586 4.905 4.320 -0.000 0.000 0.216 306 A C 1.206 178.757 177.584 -0.055 0.000 1.152 306 A CA 0.947 52.967 52.037 -0.029 0.000 0.708 306 A CB -0.698 18.272 19.000 -0.050 0.000 0.805 306 A HN 1.874 nan 8.150 nan 0.000 0.460 307 G N -1.606 107.204 108.800 0.017 0.000 2.673 307 G HA2 0.523 4.483 3.960 -0.000 0.000 0.292 307 G HA3 0.523 4.483 3.960 -0.000 0.000 0.292 307 G C -1.529 173.496 174.900 0.209 0.000 1.450 307 G CA -0.688 44.461 45.100 0.082 0.000 0.837 307 G HN 0.169 nan 8.290 nan 0.000 0.505 308 L N 0.384 121.775 121.223 0.280 0.000 2.346 308 L HA 0.653 4.993 4.340 -0.000 0.000 0.276 308 L C -0.496 176.524 176.870 0.251 0.000 1.006 308 L CA -1.195 53.793 54.840 0.246 0.000 0.817 308 L CB 2.403 44.591 42.059 0.216 0.000 1.272 308 L HN 0.267 nan 8.230 nan 0.000 0.421 309 V N 4.153 124.188 119.914 0.203 0.000 2.326 309 V HA 0.305 4.425 4.120 -0.000 0.000 0.281 309 V C -0.434 175.685 176.094 0.042 0.000 1.015 309 V CA -0.444 61.945 62.300 0.149 0.000 0.823 309 V CB 1.626 33.609 31.823 0.267 0.000 1.009 309 V HN 0.431 nan 8.190 nan 0.000 0.436 310 L N 4.306 125.547 121.223 0.030 0.000 2.262 310 L HA 0.634 4.974 4.340 -0.000 0.000 0.288 310 L C -0.365 176.481 176.870 -0.040 0.000 1.035 310 L CA 0.180 55.008 54.840 -0.019 0.000 0.820 310 L CB 1.157 43.279 42.059 0.105 0.000 1.204 310 L HN 0.575 nan 8.230 nan 0.000 0.424 311 D N 5.436 125.754 120.400 -0.136 0.000 2.396 311 D HA 0.259 4.899 4.640 -0.000 0.000 0.225 311 D C 0.494 176.769 176.300 -0.042 0.000 1.121 311 D CA -0.168 53.804 54.000 -0.046 0.000 0.853 311 D CB 0.626 41.423 40.800 -0.006 0.000 1.043 311 D HN 0.616 nan 8.370 nan 0.000 0.500 312 I N 0.461 121.038 120.570 0.012 0.000 3.707 312 I HA 0.374 4.544 4.170 -0.000 0.000 0.330 312 I C 0.345 176.494 176.117 0.052 0.000 1.572 312 I CA -0.784 60.537 61.300 0.035 0.000 1.104 312 I CB 0.127 38.190 38.000 0.104 0.000 1.240 312 I HN -0.142 nan 8.210 nan 0.000 0.475 313 R N 2.170 122.697 120.500 0.045 0.000 2.623 313 R HA 0.146 4.485 4.340 -0.000 0.000 0.271 313 R C 0.258 176.588 176.300 0.050 0.000 1.043 313 R CA -0.047 56.085 56.100 0.053 0.000 1.083 313 R CB 0.064 30.396 30.300 0.053 0.000 0.974 313 R HN 0.329 nan 8.270 nan 0.000 0.436 314 N N 1.133 119.871 118.700 0.063 0.000 2.721 314 N HA -0.264 4.476 4.740 -0.000 0.000 0.249 314 N C -1.001 174.535 175.510 0.044 0.000 1.072 314 N CA 1.125 54.210 53.050 0.059 0.000 0.710 314 N CB -1.198 37.315 38.487 0.044 0.000 0.993 314 N HN 0.681 nan 8.380 nan 0.000 0.547 315 N N -0.782 117.952 118.700 0.057 0.000 2.511 315 N HA 0.390 5.129 4.740 -0.000 0.000 0.249 315 N C 1.309 176.863 175.510 0.073 0.000 0.971 315 N CA -0.084 53.001 53.050 0.059 0.000 0.938 315 N CB 0.506 39.037 38.487 0.073 0.000 1.131 315 N HN 0.168 nan 8.380 nan 0.000 0.505 316 G N 2.043 110.861 108.800 0.030 0.000 2.586 316 G HA2 0.070 4.030 3.960 -0.000 0.000 0.215 316 G HA3 0.070 4.030 3.960 -0.000 0.000 0.215 316 G C 1.071 175.971 174.900 0.001 0.000 1.128 316 G CA 0.736 45.822 45.100 -0.025 0.000 0.774 316 G HN 0.970 nan 8.290 nan 0.000 0.543 317 G N -0.912 107.951 108.800 0.106 0.000 2.956 317 G HA2 0.049 4.009 3.960 -0.000 0.000 0.210 317 G HA3 0.049 4.009 3.960 -0.000 0.000 0.210 317 G C 1.781 176.751 174.900 0.116 0.000 1.316 317 G CA 0.967 46.118 45.100 0.086 0.000 0.819 317 G HN 1.877 nan 8.290 nan 0.000 0.544 318 G N 0.680 109.523 108.800 0.072 0.000 2.952 318 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.346 318 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.346 318 G C 0.653 175.601 174.900 0.080 0.000 1.191 318 G CA 1.484 46.630 45.100 0.076 0.000 0.961 318 G HN 1.916 nan 8.290 nan 0.000 0.588 319 L N 1.757 123.048 121.223 0.112 0.000 2.295 319 L HA 0.634 4.974 4.340 -0.000 0.000 0.288 319 L C 1.280 178.166 176.870 0.026 0.000 1.079 319 L CA 0.170 55.063 54.840 0.089 0.000 0.830 319 L CB 0.427 42.545 42.059 0.098 0.000 1.200 319 L HN 0.461 nan 8.230 nan 0.000 0.438 320 F N 7.379 127.257 119.950 -0.121 0.000 2.091 320 F HA -0.086 4.440 4.527 -0.000 0.000 0.299 320 F C -0.781 174.861 175.800 -0.264 0.000 1.103 320 F CA 1.442 59.301 58.000 -0.234 0.000 1.228 320 F CB -1.170 37.742 39.000 -0.147 0.000 0.984 320 F HN 0.530 nan 8.300 nan 0.000 0.477 321 P HA -0.182 nan 4.420 nan 0.000 0.218 321 P C 1.568 178.672 177.300 -0.327 0.000 1.148 321 P CA 2.353 65.211 63.100 -0.404 0.000 0.822 321 P CB -0.476 31.158 31.700 -0.110 0.000 0.784 322 A N -0.028 122.692 122.820 -0.168 0.000 1.898 322 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 322 A C 2.537 180.085 177.584 -0.059 0.000 1.181 322 A CA 1.986 54.035 52.037 0.020 0.000 0.620 322 A CB -1.855 17.317 19.000 0.287 0.000 0.819 322 A HN 0.270 nan 8.150 nan 0.000 0.442 323 G N -0.451 108.032 108.800 -0.528 0.000 2.446 323 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 323 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 323 G C 1.531 176.119 174.900 -0.519 0.000 1.168 323 G CA 1.334 45.909 45.100 -0.876 0.000 0.771 323 G HN 0.316 nan 8.290 nan 0.000 0.551 324 V N 1.547 121.068 119.914 -0.654 0.000 2.295 324 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 324 V C 2.704 178.649 176.094 -0.250 0.000 1.049 324 V CA 1.942 63.941 62.300 -0.502 0.000 1.024 324 V CB -0.511 30.886 31.823 -0.711 0.000 0.648 324 V HN 0.317 nan 8.190 nan 0.000 0.447 325 N N 0.238 118.822 118.700 -0.194 0.000 2.104 325 N HA -0.139 4.600 4.740 -0.000 0.000 0.190 325 N C 1.768 177.257 175.510 -0.035 0.000 1.024 325 N CA 1.424 54.425 53.050 -0.082 0.000 0.853 325 N CB -0.674 37.789 38.487 -0.040 0.000 1.008 325 N HN 0.352 nan 8.380 nan 0.000 0.424 326 V N 1.541 121.462 119.914 0.011 0.000 2.343 326 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 326 V C 2.402 178.485 176.094 -0.017 0.000 1.051 326 V CA 1.810 64.158 62.300 0.080 0.000 1.036 326 V CB -0.995 30.976 31.823 0.245 0.000 0.654 326 V HN 0.317 nan 8.190 nan 0.000 0.451 327 A N -0.097 122.682 122.820 -0.069 0.000 1.933 327 A HA -0.235 4.084 4.320 -0.000 0.000 0.218 327 A C 2.331 179.857 177.584 -0.097 0.000 1.175 327 A CA 1.800 53.781 52.037 -0.094 0.000 0.628 327 A CB -0.511 18.419 19.000 -0.117 0.000 0.814 327 A HN 0.525 nan 8.150 nan 0.000 0.444 328 R N -0.969 119.480 120.500 -0.084 0.000 2.189 328 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 328 R C 2.006 178.255 176.300 -0.086 0.000 1.092 328 R CA 1.361 57.419 56.100 -0.070 0.000 0.989 328 R CB -0.342 29.928 30.300 -0.049 0.000 0.876 328 R HN 0.578 nan 8.270 nan 0.000 0.457 329 M N -0.147 119.391 119.600 -0.104 0.000 2.296 329 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 329 M C 1.656 177.812 176.300 -0.239 0.000 1.064 329 M CA 1.495 56.706 55.300 -0.149 0.000 1.109 329 M CB 0.088 32.595 32.600 -0.155 0.000 1.396 329 M HN 0.155 nan 8.290 nan 0.000 0.430 330 L N -1.400 119.675 121.223 -0.247 0.000 2.500 330 L HA 0.168 4.508 4.340 -0.000 0.000 0.219 330 L C 0.326 177.105 176.870 -0.152 0.000 1.057 330 L CA -0.187 54.496 54.840 -0.262 0.000 0.854 330 L CB 0.542 42.421 42.059 -0.300 0.000 1.078 330 L HN -0.092 nan 8.230 nan 0.000 0.480 331 V N 1.233 121.078 119.914 -0.114 0.000 2.370 331 V HA 0.099 4.219 4.120 -0.000 0.000 0.279 331 V C 0.133 176.189 176.094 -0.063 0.000 1.029 331 V CA -0.473 61.781 62.300 -0.076 0.000 0.870 331 V CB 1.324 33.110 31.823 -0.061 0.000 0.984 331 V HN 0.281 nan 8.190 nan 0.000 0.451 332 D N 3.879 124.247 120.400 -0.053 0.000 2.339 332 D HA 0.044 4.684 4.640 -0.000 0.000 0.217 332 D C 0.606 176.888 176.300 -0.031 0.000 1.050 332 D CA -0.006 53.968 54.000 -0.043 0.000 0.856 332 D CB 0.499 41.274 40.800 -0.042 0.000 0.922 332 D HN 0.665 nan 8.370 nan 0.000 0.518 333 R N -1.805 118.679 120.500 -0.028 0.000 2.712 333 R HA 0.522 4.861 4.340 -0.000 0.000 0.272 333 R C -0.181 176.108 176.300 -0.017 0.000 1.032 333 R CA -0.456 55.631 56.100 -0.020 0.000 0.874 333 R CB 0.756 31.045 30.300 -0.019 0.000 1.256 333 R HN 0.104 nan 8.270 nan 0.000 0.468 334 G N 1.049 109.841 108.800 -0.012 0.000 2.710 334 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.668 334 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.668 334 G C -1.520 173.379 174.900 -0.003 0.000 1.320 334 G CA -0.307 44.788 45.100 -0.009 0.000 0.860 334 G HN 0.700 nan 8.290 nan 0.000 0.538 335 D N -0.168 120.234 120.400 0.003 0.000 2.304 335 D HA 0.550 5.190 4.640 -0.000 0.000 0.247 335 D C 1.511 177.824 176.300 0.021 0.000 1.089 335 D CA -0.218 53.791 54.000 0.016 0.000 0.910 335 D CB 1.474 42.283 40.800 0.016 0.000 1.199 335 D HN 0.349 nan 8.370 nan 0.000 0.426 336 L N 0.660 121.909 121.223 0.044 0.000 2.526 336 L HA 0.270 4.609 4.340 -0.000 0.000 0.210 336 L C 0.477 177.376 176.870 0.050 0.000 1.048 336 L CA 0.113 54.971 54.840 0.030 0.000 0.852 336 L CB 0.592 42.661 42.059 0.017 0.000 1.128 336 L HN 0.158 nan 8.230 nan 0.000 0.482 337 V N 0.876 120.863 119.914 0.122 0.000 2.950 337 V HA 0.404 4.523 4.120 -0.000 0.000 0.295 337 V C -1.694 174.534 176.094 0.224 0.000 1.297 337 V CA -0.632 61.764 62.300 0.160 0.000 0.962 337 V CB 2.363 34.281 31.823 0.158 0.000 1.081 337 V HN 0.033 nan 8.190 nan 0.000 0.432 338 L N 6.140 127.462 121.223 0.166 0.000 2.322 338 L HA 0.666 5.006 4.340 -0.000 0.000 0.279 338 L C -0.750 176.200 176.870 0.133 0.000 1.036 338 L CA -0.863 54.053 54.840 0.128 0.000 0.807 338 L CB 1.690 43.784 42.059 0.058 0.000 1.226 338 L HN 0.400 nan 8.230 nan 0.000 0.433 339 I N 2.573 123.193 120.570 0.084 0.000 2.330 339 I HA 0.555 4.725 4.170 -0.000 0.000 0.286 339 I C 0.339 176.416 176.117 -0.067 0.000 1.025 339 I CA -0.266 61.025 61.300 -0.014 0.000 1.197 339 I CB 0.845 38.839 38.000 -0.011 0.000 1.358 339 I HN 0.677 nan 8.210 nan 0.000 0.467 340 A N 5.772 128.528 122.820 -0.105 0.000 2.350 340 A HA 0.932 5.252 4.320 -0.000 0.000 0.318 340 A C -0.668 176.819 177.584 -0.163 0.000 1.132 340 A CA -0.355 51.615 52.037 -0.112 0.000 0.811 340 A CB 1.977 20.926 19.000 -0.085 0.000 1.313 340 A HN 0.697 nan 8.150 nan 0.000 0.454 341 D N -1.823 118.482 120.400 -0.158 0.000 2.812 341 D HA 0.300 4.940 4.640 -0.000 0.000 0.318 341 D C 0.646 176.840 176.300 -0.177 0.000 1.234 341 D CA 0.367 54.247 54.000 -0.200 0.000 0.989 341 D CB 0.049 40.715 40.800 -0.223 0.000 1.442 341 D HN 0.465 nan 8.370 nan 0.000 0.537 342 S N -1.558 114.017 115.700 -0.208 0.000 2.555 342 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 342 S C 1.520 176.042 174.600 -0.131 0.000 0.978 342 S CA 1.102 59.200 58.200 -0.170 0.000 0.934 342 S CB -0.376 62.702 63.200 -0.203 0.000 0.766 342 S HN 0.545 nan 8.310 nan 0.000 0.533 343 Q N 1.489 121.213 119.800 -0.127 0.000 2.096 343 Q HA 0.339 4.679 4.340 -0.000 0.000 0.197 343 Q C 1.025 176.981 176.000 -0.074 0.000 0.964 343 Q CA 1.100 56.848 55.803 -0.091 0.000 0.838 343 Q CB -0.002 28.686 28.738 -0.084 0.000 0.906 343 Q HN 0.688 nan 8.270 nan 0.000 0.444 344 G N -0.412 108.340 108.800 -0.078 0.000 2.373 344 G HA2 0.089 4.049 3.960 -0.000 0.000 0.250 344 G HA3 0.089 4.049 3.960 -0.000 0.000 0.250 344 G C -1.453 173.408 174.900 -0.065 0.000 1.304 344 G CA -0.647 44.416 45.100 -0.063 0.000 0.948 344 G HN 0.145 nan 8.290 nan 0.000 0.474 345 I N 1.583 122.123 120.570 -0.051 0.000 2.474 345 I HA 0.360 4.530 4.170 -0.000 0.000 0.287 345 I C 1.352 177.438 176.117 -0.052 0.000 1.048 345 I CA -0.681 60.591 61.300 -0.047 0.000 1.383 345 I CB 1.440 39.421 38.000 -0.032 0.000 1.412 345 I HN 0.414 nan 8.210 nan 0.000 0.531 346 R N 2.520 122.985 120.500 -0.058 0.000 2.316 346 R HA 0.334 4.674 4.340 -0.000 0.000 0.201 346 R C -0.276 175.991 176.300 -0.055 0.000 0.888 346 R CA 0.086 56.150 56.100 -0.060 0.000 1.041 346 R CB -0.007 30.248 30.300 -0.075 0.000 1.115 346 R HN 0.589 nan 8.270 nan 0.000 0.559 347 D N -0.634 119.738 120.400 -0.046 0.000 2.639 347 D HA 0.457 5.097 4.640 -0.000 0.000 0.271 347 D C -1.429 174.842 176.300 -0.049 0.000 1.254 347 D CA -0.552 53.408 54.000 -0.066 0.000 0.810 347 D CB 2.149 42.918 40.800 -0.050 0.000 1.351 347 D HN -0.104 nan 8.370 nan 0.000 0.427 348 I N 0.850 121.328 120.570 -0.153 0.000 2.918 348 I HA 0.469 4.639 4.170 -0.000 0.000 0.301 348 I C -1.804 174.143 176.117 -0.283 0.000 1.312 348 I CA -0.633 60.626 61.300 -0.068 0.000 1.007 348 I CB 1.791 39.763 38.000 -0.046 0.000 1.281 348 I HN 0.287 nan 8.210 nan 0.000 0.440 349 Y N 4.325 124.671 120.300 0.077 0.000 2.350 349 Y HA 0.619 5.169 4.550 -0.000 0.000 0.338 349 Y C 0.033 175.942 175.900 0.016 0.000 0.961 349 Y CA -0.381 57.755 58.100 0.060 0.000 1.100 349 Y CB 2.247 40.761 38.460 0.091 0.000 1.179 349 Y HN 0.389 nan 8.280 nan 0.000 0.454 350 S N 1.069 116.819 115.700 0.083 0.000 2.677 350 S HA 0.814 5.284 4.470 -0.000 0.000 0.304 350 S C -0.505 174.113 174.600 0.029 0.000 1.108 350 S CA -0.893 57.332 58.200 0.041 0.000 0.944 350 S CB 1.500 64.702 63.200 0.003 0.000 1.127 350 S HN 0.790 nan 8.310 nan 0.000 0.511 351 A N 1.255 124.079 122.820 0.007 0.000 2.520 351 A HA 0.223 4.543 4.320 -0.000 0.000 0.235 351 A C 0.520 178.100 177.584 -0.007 0.000 1.065 351 A CA 0.133 52.165 52.037 -0.008 0.000 0.764 351 A CB -0.185 18.804 19.000 -0.017 0.000 1.002 351 A HN 0.850 nan 8.150 nan 0.000 0.502 352 D N 0.111 120.505 120.400 -0.011 0.000 2.395 352 D HA 0.310 4.949 4.640 -0.000 0.000 0.213 352 D C 1.065 177.356 176.300 -0.015 0.000 1.110 352 D CA 0.745 54.739 54.000 -0.009 0.000 0.835 352 D CB -0.196 40.602 40.800 -0.004 0.000 0.965 352 D HN 1.318 nan 8.370 nan 0.000 0.505 353 G N 1.081 109.869 108.800 -0.020 0.000 2.284 353 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.261 353 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.261 353 G C 0.394 175.279 174.900 -0.025 0.000 0.997 353 G CA 0.131 45.217 45.100 -0.022 0.000 0.621 353 G HN 0.373 nan 8.290 nan 0.000 0.534 354 N N 2.039 120.725 118.700 -0.024 0.000 3.243 354 N HA 0.349 5.089 4.740 -0.000 0.000 0.310 354 N C 0.868 176.357 175.510 -0.035 0.000 1.313 354 N CA 0.796 53.831 53.050 -0.024 0.000 1.204 354 N CB 0.330 38.807 38.487 -0.017 0.000 1.483 354 N HN 0.816 nan 8.380 nan 0.000 0.553 355 S N -0.825 114.847 115.700 -0.046 0.000 2.634 355 S HA 0.340 4.810 4.470 -0.000 0.000 0.261 355 S C 1.154 175.716 174.600 -0.063 0.000 1.271 355 S CA -0.507 57.653 58.200 -0.068 0.000 0.985 355 S CB 1.188 64.337 63.200 -0.085 0.000 0.968 355 S HN 0.004 nan 8.310 nan 0.000 0.568 356 I N -0.022 120.493 120.570 -0.091 0.000 3.300 356 I HA 0.359 4.529 4.170 -0.000 0.000 0.279 356 I C 0.206 176.275 176.117 -0.080 0.000 1.172 356 I CA 0.807 62.068 61.300 -0.066 0.000 1.431 356 I CB -0.691 37.282 38.000 -0.046 0.000 1.240 356 I HN 0.729 nan 8.210 nan 0.000 0.453 357 D N 0.100 120.413 120.400 -0.145 0.000 2.616 357 D HA 0.194 4.834 4.640 -0.000 0.000 0.238 357 D C 0.284 176.501 176.300 -0.139 0.000 1.354 357 D CA 0.192 54.116 54.000 -0.126 0.000 0.970 357 D CB 1.613 42.337 40.800 -0.127 0.000 1.369 357 D HN 0.041 nan 8.370 nan 0.000 0.585 358 S N 1.689 117.335 115.700 -0.090 0.000 2.540 358 S HA 0.360 4.830 4.470 -0.000 0.000 0.222 358 S C 1.233 175.800 174.600 -0.056 0.000 1.008 358 S CA 0.428 58.581 58.200 -0.079 0.000 0.939 358 S CB 0.886 64.049 63.200 -0.062 0.000 0.865 358 S HN 0.328 nan 8.310 nan 0.000 0.499 359 A N 1.626 124.418 122.820 -0.046 0.000 2.013 359 A HA 0.394 4.714 4.320 -0.000 0.000 0.204 359 A C 1.045 178.615 177.584 -0.024 0.000 1.262 359 A CA 0.304 52.322 52.037 -0.031 0.000 0.800 359 A CB -0.668 18.316 19.000 -0.027 0.000 0.909 359 A HN 0.408 nan 8.150 nan 0.000 0.472 360 T N 3.664 118.206 114.554 -0.019 0.000 2.908 360 T HA 0.330 4.680 4.350 -0.000 0.000 0.301 360 T C -2.547 172.163 174.700 0.015 0.000 1.019 360 T CA -0.446 61.652 62.100 -0.004 0.000 1.152 360 T CB 0.355 69.233 68.868 0.018 0.000 0.966 360 T HN 0.122 nan 8.240 nan 0.000 0.540 361 P HA 0.217 nan 4.420 nan 0.000 0.264 361 P C -0.758 176.670 177.300 0.215 0.000 1.183 361 P CA -0.354 62.773 63.100 0.046 0.000 0.763 361 P CB 0.367 31.982 31.700 -0.142 0.000 0.807 362 L N 4.682 126.084 121.223 0.299 0.000 2.401 362 L HA 0.734 5.074 4.340 -0.000 0.000 0.266 362 L C -1.458 175.534 176.870 0.203 0.000 0.991 362 L CA -0.823 54.171 54.840 0.257 0.000 0.818 362 L CB 2.421 44.537 42.059 0.095 0.000 1.321 362 L HN 0.167 nan 8.230 nan 0.000 0.413 363 V N 5.484 125.413 119.914 0.024 0.000 2.656 363 V HA 0.734 4.854 4.120 -0.000 0.000 0.307 363 V C -1.286 174.758 176.094 -0.085 0.000 1.051 363 V CA -0.401 61.774 62.300 -0.208 0.000 0.893 363 V CB 2.327 33.715 31.823 -0.726 0.000 0.999 363 V HN 0.606 nan 8.190 nan 0.000 0.426 364 V N 7.594 127.470 119.914 -0.064 0.000 2.409 364 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 364 V C -0.103 175.980 176.094 -0.018 0.000 1.020 364 V CA -0.631 61.659 62.300 -0.016 0.000 0.848 364 V CB 1.515 33.339 31.823 0.002 0.000 0.990 364 V HN 0.720 nan 8.190 nan 0.000 0.430 365 L N 6.294 127.519 121.223 0.005 0.000 2.290 365 L HA 0.715 5.055 4.340 -0.000 0.000 0.284 365 L C -0.045 176.842 176.870 0.028 0.000 1.078 365 L CA -0.374 54.476 54.840 0.016 0.000 0.815 365 L CB 1.230 43.320 42.059 0.052 0.000 1.162 365 L HN 0.635 nan 8.230 nan 0.000 0.435 366 V N 0.455 120.383 119.914 0.024 0.000 3.130 366 V HA 0.788 4.908 4.120 -0.000 0.000 0.310 366 V C -0.964 175.152 176.094 0.037 0.000 1.158 366 V CA -0.636 61.686 62.300 0.037 0.000 1.029 366 V CB 2.196 34.040 31.823 0.036 0.000 1.057 366 V HN 0.918 nan 8.190 nan 0.000 0.436 367 N N 0.664 119.394 118.700 0.051 0.000 3.344 367 N HA 0.370 5.110 4.740 -0.000 0.000 0.296 367 N C 0.698 176.249 175.510 0.068 0.000 1.571 367 N CA -0.452 52.627 53.050 0.048 0.000 0.844 367 N CB 0.921 39.433 38.487 0.042 0.000 1.718 367 N HN 0.815 nan 8.380 nan 0.000 0.589 368 R N -1.322 119.208 120.500 0.051 0.000 2.200 368 R HA 0.019 4.359 4.340 -0.000 0.000 0.234 368 R C 1.176 177.585 176.300 0.183 0.000 1.127 368 R CA 1.745 57.873 56.100 0.047 0.000 0.989 368 R CB -0.909 29.371 30.300 -0.034 0.000 0.869 368 R HN 0.577 nan 8.270 nan 0.000 0.459 369 G N 0.612 109.526 108.800 0.189 0.000 2.985 369 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.209 369 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.209 369 G C -0.090 174.924 174.900 0.190 0.000 1.165 369 G CA -0.156 45.091 45.100 0.244 0.000 0.776 369 G HN 0.221 nan 8.290 nan 0.000 0.541 370 T N 1.716 116.372 114.554 0.171 0.000 2.752 370 T HA 0.567 4.917 4.350 -0.000 0.000 0.295 370 T C 0.149 174.938 174.700 0.148 0.000 0.923 370 T CA 0.332 62.510 62.100 0.129 0.000 1.112 370 T CB 1.154 70.082 68.868 0.100 0.000 0.884 370 T HN 0.364 nan 8.240 nan 0.000 0.525 371 A N 3.017 125.882 122.820 0.074 0.000 2.566 371 A HA 0.873 5.192 4.320 -0.000 0.000 0.292 371 A C 0.669 178.236 177.584 -0.028 0.000 1.112 371 A CA -0.117 51.929 52.037 0.014 0.000 0.707 371 A CB 1.373 20.259 19.000 -0.189 0.000 1.302 371 A HN 0.860 nan 8.150 nan 0.000 0.409 372 S N -0.442 115.241 115.700 -0.028 0.000 4.137 372 S HA -0.348 4.122 4.470 -0.000 0.000 0.550 372 S C 1.887 176.387 174.600 -0.166 0.000 1.887 372 S CA 2.785 60.964 58.200 -0.035 0.000 4.230 372 S CB -1.705 61.480 63.200 -0.025 0.000 0.378 372 S HN 2.552 nan 8.310 nan 0.000 0.490 373 A N 0.341 123.038 122.820 -0.204 0.000 1.986 373 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 373 A C 2.421 179.672 177.584 -0.554 0.000 1.171 373 A CA 2.769 54.555 52.037 -0.419 0.000 0.640 373 A CB -1.081 17.635 19.000 -0.474 0.000 0.811 373 A HN 0.876 nan 8.150 nan 0.000 0.451 374 S N -0.520 115.007 115.700 -0.288 0.000 2.383 374 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 374 S C 1.799 176.345 174.600 -0.090 0.000 1.026 374 S CA 1.350 59.495 58.200 -0.091 0.000 0.981 374 S CB -0.226 63.062 63.200 0.148 0.000 0.818 374 S HN 0.735 nan 8.310 nan 0.000 0.472 375 E N 0.615 120.762 120.200 -0.088 0.000 2.107 375 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 375 E C 2.072 178.605 176.600 -0.111 0.000 0.982 375 E CA 0.751 57.117 56.400 -0.056 0.000 0.809 375 E CB -0.161 29.533 29.700 -0.009 0.000 0.756 375 E HN 0.231 nan 8.360 nan 0.000 0.459 376 V N 1.723 121.505 119.914 -0.221 0.000 2.287 376 V HA -0.275 3.844 4.120 -0.000 0.000 0.248 376 V C 2.332 178.307 176.094 -0.198 0.000 1.053 376 V CA 1.582 63.726 62.300 -0.260 0.000 1.027 376 V CB -0.464 31.090 31.823 -0.450 0.000 0.646 376 V HN 0.245 nan 8.190 nan 0.000 0.447 377 L N 0.973 122.053 121.223 -0.238 0.000 1.970 377 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 377 L C 2.502 179.328 176.870 -0.074 0.000 1.071 377 L CA 2.607 57.350 54.840 -0.161 0.000 0.751 377 L CB -1.270 40.711 42.059 -0.131 0.000 0.889 377 L HN 0.236 nan 8.230 nan 0.000 0.432 378 A N -0.483 122.311 122.820 -0.045 0.000 1.892 378 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 378 A C 2.366 179.937 177.584 -0.023 0.000 1.188 378 A CA 2.041 54.068 52.037 -0.016 0.000 0.631 378 A CB -1.746 17.255 19.000 0.002 0.000 0.822 378 A HN 0.596 nan 8.150 nan 0.000 0.447 379 G N -0.784 107.996 108.800 -0.033 0.000 2.440 379 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.218 379 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.218 379 G C 1.747 176.633 174.900 -0.024 0.000 1.154 379 G CA 1.583 46.669 45.100 -0.022 0.000 0.767 379 G HN 0.876 nan 8.290 nan 0.000 0.552 380 A N 0.482 123.279 122.820 -0.040 0.000 1.898 380 A HA 0.141 4.460 4.320 -0.000 0.000 0.216 380 A C 2.433 179.998 177.584 -0.031 0.000 1.181 380 A CA 1.209 53.224 52.037 -0.036 0.000 0.620 380 A CB -0.358 18.609 19.000 -0.054 0.000 0.819 380 A HN 0.355 nan 8.150 nan 0.000 0.442 381 L N -0.759 120.444 121.223 -0.033 0.000 2.093 381 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 381 L C 2.610 179.471 176.870 -0.015 0.000 1.085 381 L CA 1.848 56.672 54.840 -0.027 0.000 0.755 381 L CB -0.369 41.676 42.059 -0.023 0.000 0.904 381 L HN 0.455 nan 8.230 nan 0.000 0.435 382 K N 0.123 120.516 120.400 -0.011 0.000 2.021 382 K HA -0.141 4.178 4.320 -0.000 0.000 0.205 382 K C 1.632 178.230 176.600 -0.003 0.000 1.047 382 K CA 1.433 57.718 56.287 -0.004 0.000 0.943 382 K CB 0.084 32.582 32.500 -0.003 0.000 0.725 382 K HN 0.131 nan 8.250 nan 0.000 0.439 383 D N 0.453 120.850 120.400 -0.005 0.000 2.178 383 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 383 D C 1.828 178.126 176.300 -0.004 0.000 0.980 383 D CA 1.487 55.486 54.000 -0.003 0.000 0.842 383 D CB -0.090 40.709 40.800 -0.001 0.000 0.948 383 D HN 0.318 nan 8.370 nan 0.000 0.472 384 S N -0.365 115.330 115.700 -0.008 0.000 2.562 384 S HA -0.008 4.461 4.470 -0.000 0.000 0.221 384 S C 0.925 175.520 174.600 -0.008 0.000 0.975 384 S CA 0.065 58.259 58.200 -0.010 0.000 0.918 384 S CB 0.126 63.316 63.200 -0.017 0.000 0.772 384 S HN 0.001 nan 8.310 nan 0.000 0.531 385 K N -0.274 120.124 120.400 -0.004 0.000 3.446 385 K HA -0.187 4.133 4.320 -0.000 0.000 0.312 385 K C 0.987 177.589 176.600 0.003 0.000 1.329 385 K CA 1.012 57.300 56.287 0.003 0.000 0.935 385 K CB -1.529 30.974 32.500 0.004 0.000 1.281 385 K HN 0.528 nan 8.250 nan 0.000 0.457 386 R N 1.310 121.806 120.500 -0.006 0.000 2.115 386 R HA -0.027 4.313 4.340 -0.000 0.000 0.230 386 R C 0.950 177.254 176.300 0.008 0.000 1.111 386 R CA 2.026 58.119 56.100 -0.012 0.000 0.976 386 R CB 0.085 30.364 30.300 -0.035 0.000 0.870 386 R HN 0.363 nan 8.270 nan 0.000 0.445 387 G N -1.639 107.170 108.800 0.014 0.000 2.677 387 G HA2 0.486 4.445 3.960 -0.000 0.000 0.291 387 G HA3 0.486 4.445 3.960 -0.000 0.000 0.291 387 G C -1.625 173.290 174.900 0.026 0.000 1.435 387 G CA -0.886 44.235 45.100 0.036 0.000 0.826 387 G HN 0.084 nan 8.290 nan 0.000 0.491 388 L N 0.279 121.517 121.223 0.025 0.000 2.399 388 L HA 0.564 4.904 4.340 -0.000 0.000 0.265 388 L C -0.222 176.626 176.870 -0.038 0.000 1.089 388 L CA -1.008 53.830 54.840 -0.004 0.000 0.802 388 L CB 1.321 43.371 42.059 -0.015 0.000 1.180 388 L HN 0.210 nan 8.230 nan 0.000 0.454 389 I N 1.615 122.166 120.570 -0.031 0.000 2.406 389 I HA 0.568 4.738 4.170 -0.000 0.000 0.290 389 I C -0.006 176.086 176.117 -0.041 0.000 0.999 389 I CA -0.431 60.850 61.300 -0.031 0.000 1.124 389 I CB 1.287 39.280 38.000 -0.012 0.000 1.289 389 I HN 0.588 nan 8.210 nan 0.000 0.441 390 A N 3.861 126.651 122.820 -0.051 0.000 2.386 390 A HA 0.974 5.294 4.320 -0.000 0.000 0.311 390 A C 0.238 177.806 177.584 -0.026 0.000 1.068 390 A CA 0.234 52.240 52.037 -0.051 0.000 0.743 390 A CB 1.899 20.843 19.000 -0.093 0.000 1.258 390 A HN 1.106 nan 8.150 nan 0.000 0.429 391 G N 1.123 109.913 108.800 -0.017 0.000 2.178 391 G HA2 0.303 4.263 3.960 -0.000 0.000 0.147 391 G HA3 0.303 4.263 3.960 -0.000 0.000 0.147 391 G C -0.534 174.366 174.900 -0.001 0.000 1.245 391 G CA 0.154 45.252 45.100 -0.004 0.000 1.275 391 G HN 1.553 nan 8.290 nan 0.000 0.491 392 E N 0.139 120.342 120.200 0.005 0.000 2.369 392 E HA 0.672 5.021 4.350 -0.000 0.000 0.270 392 E C 0.133 176.737 176.600 0.008 0.000 0.909 392 E CA -1.048 55.354 56.400 0.003 0.000 0.775 392 E CB 2.046 31.747 29.700 0.001 0.000 1.270 392 E HN 0.603 nan 8.360 nan 0.000 0.445 393 R N 1.483 121.985 120.500 0.003 0.000 2.678 393 R HA -0.014 4.326 4.340 -0.000 0.000 0.264 393 R C -0.192 176.117 176.300 0.015 0.000 0.995 393 R CA 0.954 57.058 56.100 0.006 0.000 1.098 393 R CB 0.310 30.609 30.300 -0.002 0.000 0.949 393 R HN 0.829 nan 8.270 nan 0.000 0.422 394 T N 0.836 115.412 114.554 0.037 0.000 2.788 394 T HA 0.078 4.428 4.350 -0.000 0.000 0.280 394 T C 1.448 176.206 174.700 0.098 0.000 0.984 394 T CA -0.429 61.718 62.100 0.079 0.000 0.972 394 T CB 0.330 69.252 68.868 0.089 0.000 1.039 394 T HN 0.546 nan 8.240 nan 0.000 0.530 395 F N 1.489 121.452 119.950 0.022 0.000 2.087 395 F HA 0.035 4.562 4.527 -0.000 0.000 0.299 395 F C 2.131 177.950 175.800 0.033 0.000 1.100 395 F CA 2.233 60.250 58.000 0.028 0.000 1.226 395 F CB -0.709 38.311 39.000 0.032 0.000 0.983 395 F HN 1.060 nan 8.300 nan 0.000 0.479 396 G N 0.695 109.665 108.800 0.284 0.000 2.142 396 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.225 396 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.225 396 G C 0.320 175.372 174.900 0.253 0.000 1.015 396 G CA 0.170 45.388 45.100 0.196 0.000 0.716 396 G HN 0.457 nan 8.290 nan 0.000 0.508 397 K N 0.468 121.036 120.400 0.279 0.000 2.184 397 K HA 0.521 4.841 4.320 -0.000 0.000 0.259 397 K C 1.284 177.939 176.600 0.092 0.000 1.119 397 K CA 0.117 56.502 56.287 0.162 0.000 0.991 397 K CB -0.187 32.315 32.500 0.004 0.000 1.522 397 K HN 0.321 nan 8.250 nan 0.000 0.405 398 G N 4.314 113.154 108.800 0.067 0.000 3.519 398 G HA2 0.172 4.132 3.960 -0.000 0.000 0.269 398 G HA3 0.172 4.132 3.960 -0.000 0.000 0.269 398 G C 0.076 174.911 174.900 -0.109 0.000 1.028 398 G CA -0.338 44.812 45.100 0.084 0.000 0.809 398 G HN 0.405 nan 8.290 nan 0.000 0.521 399 L N 0.828 121.916 121.223 -0.225 0.000 2.399 399 L HA 0.554 4.894 4.340 -0.000 0.000 0.266 399 L C -0.200 176.381 176.870 -0.480 0.000 1.114 399 L CA -0.654 53.952 54.840 -0.390 0.000 0.804 399 L CB 1.624 43.408 42.059 -0.459 0.000 1.146 399 L HN -0.079 nan 8.230 nan 0.000 0.451 400 I N 1.593 121.853 120.570 -0.518 0.000 2.406 400 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 400 I C -0.599 175.317 176.117 -0.334 0.000 0.999 400 I CA -0.510 60.501 61.300 -0.483 0.000 1.124 400 I CB 1.917 39.545 38.000 -0.620 0.000 1.289 400 I HN 0.561 nan 8.210 nan 0.000 0.441 401 Q N 3.639 123.293 119.800 -0.243 0.000 2.306 401 Q HA 0.710 5.050 4.340 -0.000 0.000 0.265 401 Q C -0.969 174.985 176.000 -0.076 0.000 1.022 401 Q CA -0.486 55.242 55.803 -0.125 0.000 0.853 401 Q CB 2.570 31.284 28.738 -0.040 0.000 1.327 401 Q HN 0.586 nan 8.270 nan 0.000 0.449 402 T N -0.268 114.266 114.554 -0.034 0.000 2.903 402 T HA 0.564 4.914 4.350 -0.000 0.000 0.299 402 T C -1.060 173.649 174.700 0.014 0.000 1.093 402 T CA -0.665 61.426 62.100 -0.016 0.000 1.002 402 T CB 1.361 70.210 68.868 -0.032 0.000 1.127 402 T HN 0.273 nan 8.240 nan 0.000 0.488 403 V N 2.265 122.189 119.914 0.015 0.000 2.407 403 V HA 0.415 4.535 4.120 -0.000 0.000 0.278 403 V C -0.176 175.923 176.094 0.010 0.000 1.037 403 V CA -0.597 61.711 62.300 0.014 0.000 0.900 403 V CB 1.572 33.395 31.823 0.000 0.000 0.983 403 V HN 0.716 nan 8.190 nan 0.000 0.459 404 V N 4.956 124.880 119.914 0.018 0.000 2.383 404 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 404 V C 0.070 176.180 176.094 0.026 0.000 1.036 404 V CA -0.724 61.590 62.300 0.023 0.000 0.889 404 V CB 1.357 33.198 31.823 0.030 0.000 0.985 404 V HN 0.818 nan 8.190 nan 0.000 0.459 405 D N 5.118 125.532 120.400 0.023 0.000 2.345 405 D HA 0.420 5.060 4.640 -0.000 0.000 0.247 405 D C -0.174 176.157 176.300 0.051 0.000 1.108 405 D CA -0.024 53.992 54.000 0.025 0.000 0.894 405 D CB 2.036 42.847 40.800 0.019 0.000 1.203 405 D HN 0.289 nan 8.370 nan 0.000 0.430 406 L N 0.655 121.920 121.223 0.071 0.000 2.358 406 L HA 0.166 4.506 4.340 -0.000 0.000 0.268 406 L C 1.934 178.859 176.870 0.091 0.000 1.032 406 L CA -0.755 54.145 54.840 0.101 0.000 0.805 406 L CB 1.218 43.372 42.059 0.158 0.000 1.253 406 L HN 0.369 nan 8.230 nan 0.000 0.452 407 S N -1.517 114.239 115.700 0.093 0.000 2.420 407 S HA -0.244 4.226 4.470 -0.000 0.000 0.237 407 S C 1.296 175.948 174.600 0.087 0.000 1.023 407 S CA 1.535 59.783 58.200 0.080 0.000 0.991 407 S CB -0.341 62.905 63.200 0.076 0.000 0.792 407 S HN 0.795 nan 8.310 nan 0.000 0.488 408 D N 1.687 122.159 120.400 0.120 0.000 2.144 408 D HA 0.034 4.673 4.640 -0.000 0.000 0.199 408 D C 1.733 178.101 176.300 0.114 0.000 0.984 408 D CA 1.614 55.704 54.000 0.150 0.000 0.834 408 D CB -0.674 40.271 40.800 0.242 0.000 0.955 408 D HN 0.671 nan 8.370 nan 0.000 0.465 409 G N -0.530 108.319 108.800 0.082 0.000 2.194 409 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 409 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 409 G C 0.517 175.422 174.900 0.008 0.000 0.987 409 G CA 0.804 45.930 45.100 0.043 0.000 0.635 409 G HN 0.620 nan 8.290 nan 0.000 0.520 410 S N -0.436 115.284 115.700 0.034 0.000 2.671 410 S HA 0.853 5.323 4.470 -0.000 0.000 0.272 410 S C 0.444 175.000 174.600 -0.074 0.000 1.174 410 S CA 0.383 58.529 58.200 -0.089 0.000 1.004 410 S CB 2.175 65.353 63.200 -0.037 0.000 1.077 410 S HN 1.921 nan 8.310 nan 0.000 0.553 411 G N -1.286 107.391 108.800 -0.205 0.000 2.698 411 G HA2 0.543 4.503 3.960 -0.000 0.000 0.293 411 G HA3 0.543 4.503 3.960 -0.000 0.000 0.293 411 G C -1.876 172.963 174.900 -0.101 0.000 1.437 411 G CA -0.697 44.344 45.100 -0.098 0.000 0.852 411 G HN 0.859 nan 8.290 nan 0.000 0.499 412 V N 0.901 120.837 119.914 0.036 0.000 2.378 412 V HA 0.661 4.781 4.120 -0.000 0.000 0.288 412 V C 0.590 176.715 176.094 0.051 0.000 1.016 412 V CA -0.666 61.693 62.300 0.097 0.000 0.840 412 V CB 1.130 33.040 31.823 0.146 0.000 0.994 412 V HN 1.182 nan 8.190 nan 0.000 0.431 413 A N 4.870 127.721 122.820 0.052 0.000 2.309 413 A HA 0.703 5.023 4.320 -0.000 0.000 0.290 413 A C -0.379 177.280 177.584 0.124 0.000 1.206 413 A CA -0.258 51.834 52.037 0.092 0.000 0.850 413 A CB 0.952 20.048 19.000 0.160 0.000 1.118 413 A HN 1.056 nan 8.150 nan 0.000 0.523 414 V N 3.126 123.101 119.914 0.101 0.000 2.789 414 V HA 0.583 4.703 4.120 -0.000 0.000 0.311 414 V C 0.052 176.200 176.094 0.090 0.000 1.073 414 V CA -0.363 62.012 62.300 0.125 0.000 0.921 414 V CB 2.246 34.138 31.823 0.116 0.000 1.009 414 V HN 0.859 nan 8.190 nan 0.000 0.426 415 T N 6.046 120.675 114.554 0.126 0.000 2.769 415 T HA 0.254 4.604 4.350 -0.000 0.000 0.293 415 T C 0.896 175.482 174.700 -0.189 0.000 0.931 415 T CA 0.551 62.617 62.100 -0.056 0.000 1.139 415 T CB 0.868 69.704 68.868 -0.052 0.000 0.881 415 T HN 1.126 nan 8.240 nan 0.000 0.532 416 V N 0.453 120.233 119.914 -0.223 0.000 3.645 416 V HA 0.789 4.909 4.120 -0.000 0.000 0.275 416 V C 0.518 176.431 176.094 -0.302 0.000 1.356 416 V CA 0.334 62.485 62.300 -0.248 0.000 1.051 416 V CB -0.498 31.227 31.823 -0.164 0.000 0.828 416 V HN 0.905 nan 8.190 nan 0.000 0.441 417 A N 0.139 122.758 122.820 -0.336 0.000 2.557 417 A HA 0.897 5.216 4.320 -0.000 0.000 0.292 417 A C -0.963 176.385 177.584 -0.393 0.000 1.139 417 A CA -1.019 50.812 52.037 -0.343 0.000 0.665 417 A CB 1.498 20.299 19.000 -0.331 0.000 1.285 417 A HN 0.277 nan 8.150 nan 0.000 0.433 418 R N -0.587 119.697 120.500 -0.361 0.000 2.651 418 R HA 0.492 4.831 4.340 -0.000 0.000 0.278 418 R C -1.848 174.271 176.300 -0.302 0.000 1.010 418 R CA -0.470 55.426 56.100 -0.340 0.000 0.896 418 R CB 1.866 32.043 30.300 -0.205 0.000 1.211 418 R HN 0.696 nan 8.270 nan 0.000 0.456 419 Y N 1.795 122.017 120.300 -0.129 0.000 2.319 419 Y HA 0.177 4.727 4.550 -0.000 0.000 0.328 419 Y C 0.571 176.439 175.900 -0.053 0.000 1.133 419 Y CA -0.013 58.032 58.100 -0.092 0.000 1.265 419 Y CB 1.113 39.525 38.460 -0.079 0.000 1.218 419 Y HN 0.236 nan 8.280 nan 0.000 0.508 420 Q N 1.134 121.020 119.800 0.144 0.000 2.413 420 Q HA 0.373 4.713 4.340 -0.000 0.000 0.276 420 Q C -0.392 175.654 176.000 0.077 0.000 1.099 420 Q CA -1.210 54.640 55.803 0.079 0.000 0.814 420 Q CB 2.075 30.833 28.738 0.033 0.000 1.379 420 Q HN 0.761 nan 8.270 nan 0.000 0.436 421 T N -2.303 112.280 114.554 0.047 0.000 2.701 421 T HA 0.136 4.486 4.350 -0.000 0.000 0.303 421 T C -1.844 172.874 174.700 0.030 0.000 1.030 421 T CA -1.165 60.953 62.100 0.031 0.000 1.010 421 T CB 0.164 69.041 68.868 0.016 0.000 1.007 421 T HN 0.278 nan 8.240 nan 0.000 0.532 422 P HA 0.086 nan 4.420 nan 0.000 0.220 422 P C 1.313 178.621 177.300 0.013 0.000 1.148 422 P CA 1.087 64.200 63.100 0.020 0.000 0.803 422 P CB -0.352 31.356 31.700 0.014 0.000 0.782 423 A N -0.679 122.147 122.820 0.010 0.000 2.239 423 A HA 0.338 4.658 4.320 -0.000 0.000 0.209 423 A C 1.655 179.243 177.584 0.006 0.000 1.171 423 A CA 0.984 53.025 52.037 0.006 0.000 0.768 423 A CB -1.457 17.545 19.000 0.005 0.000 0.790 423 A HN 0.270 nan 8.150 nan 0.000 0.478 424 G N -1.989 106.817 108.800 0.010 0.000 2.131 424 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.223 424 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.223 424 G C -0.004 174.898 174.900 0.004 0.000 0.990 424 G CA 0.036 45.139 45.100 0.005 0.000 0.671 424 G HN 0.819 nan 8.290 nan 0.000 0.521 425 V N 0.538 120.458 119.914 0.009 0.000 2.472 425 V HA 0.451 4.570 4.120 -0.000 0.000 0.290 425 V C 0.493 176.597 176.094 0.016 0.000 1.037 425 V CA -0.786 61.520 62.300 0.009 0.000 0.908 425 V CB 1.649 33.478 31.823 0.010 0.000 0.985 425 V HN 0.300 nan 8.190 nan 0.000 0.454 426 D N 2.427 122.832 120.400 0.009 0.000 2.414 426 D HA 0.191 4.831 4.640 -0.000 0.000 0.242 426 D C 1.034 177.353 176.300 0.031 0.000 1.129 426 D CA 0.213 54.221 54.000 0.014 0.000 0.885 426 D CB 1.132 41.929 40.800 -0.004 0.000 1.198 426 D HN 0.429 nan 8.370 nan 0.000 0.437 427 I N 1.161 121.763 120.570 0.054 0.000 2.480 427 I HA -0.098 4.072 4.170 -0.000 0.000 0.251 427 I C 1.134 177.291 176.117 0.067 0.000 1.124 427 I CA 0.241 61.582 61.300 0.067 0.000 1.444 427 I CB -0.076 37.983 38.000 0.099 0.000 1.098 427 I HN 0.452 nan 8.210 nan 0.000 0.428 428 N N 2.189 120.920 118.700 0.053 0.000 2.411 428 N HA -0.110 4.630 4.740 -0.000 0.000 0.261 428 N C 0.317 175.857 175.510 0.050 0.000 1.248 428 N CA 0.685 53.765 53.050 0.050 0.000 0.885 428 N CB 0.424 38.916 38.487 0.009 0.000 1.062 428 N HN 0.218 nan 8.380 nan 0.000 0.471 429 K N 1.404 121.847 120.400 0.072 0.000 6.211 429 K HA -0.277 4.043 4.320 -0.000 0.000 0.464 429 K C 1.367 177.989 176.600 0.036 0.000 0.365 429 K CA 1.816 58.134 56.287 0.053 0.000 1.948 429 K CB -1.229 31.292 32.500 0.036 0.000 0.668 429 K HN 0.532 nan 8.250 nan 0.000 0.711 430 I N 1.126 121.716 120.570 0.033 0.000 2.233 430 I HA -0.112 4.057 4.170 -0.000 0.000 0.243 430 I C 1.453 177.587 176.117 0.029 0.000 1.093 430 I CA 1.347 62.661 61.300 0.024 0.000 1.380 430 I CB -0.500 37.513 38.000 0.020 0.000 1.067 430 I HN 0.608 nan 8.210 nan 0.000 0.413 431 G N 0.478 109.305 108.800 0.045 0.000 2.752 431 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.234 431 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.234 431 G C -0.436 174.485 174.900 0.035 0.000 1.367 431 G CA -0.468 44.664 45.100 0.053 0.000 0.879 431 G HN 0.118 nan 8.290 nan 0.000 0.563 432 V N 0.532 120.466 119.914 0.033 0.000 2.427 432 V HA 0.609 4.729 4.120 -0.000 0.000 0.286 432 V C 0.649 176.753 176.094 0.017 0.000 1.034 432 V CA -0.100 62.213 62.300 0.020 0.000 0.893 432 V CB 1.587 33.420 31.823 0.016 0.000 0.982 432 V HN 0.917 nan 8.190 nan 0.000 0.452 433 S N 6.425 122.131 115.700 0.010 0.000 2.508 433 S HA 0.512 4.982 4.470 -0.000 0.000 0.284 433 S C -2.438 172.164 174.600 0.003 0.000 1.192 433 S CA -0.958 57.246 58.200 0.006 0.000 1.070 433 S CB 1.501 64.704 63.200 0.005 0.000 1.004 433 S HN 0.609 nan 8.310 nan 0.000 0.493 434 P HA 0.231 nan 4.420 nan 0.000 0.275 434 P C 0.019 177.316 177.300 -0.005 0.000 1.228 434 P CA -0.308 62.790 63.100 -0.004 0.000 0.786 434 P CB 0.647 32.343 31.700 -0.007 0.000 0.927 435 D N 0.416 120.811 120.400 -0.009 0.000 2.183 435 D HA 0.001 4.640 4.640 -0.000 0.000 0.205 435 D C 0.226 176.522 176.300 -0.006 0.000 0.962 435 D CA 1.325 55.323 54.000 -0.004 0.000 0.849 435 D CB 0.358 41.157 40.800 -0.001 0.000 0.978 435 D HN 0.099 nan 8.370 nan 0.000 0.488 436 V N 3.631 123.535 119.914 -0.017 0.000 2.293 436 V HA 0.111 4.230 4.120 -0.000 0.000 0.275 436 V C -0.254 175.829 176.094 -0.017 0.000 1.021 436 V CA -0.709 61.579 62.300 -0.019 0.000 0.815 436 V CB 1.461 33.261 31.823 -0.040 0.000 1.025 436 V HN -0.021 nan 8.190 nan 0.000 0.448 437 Q N 5.634 125.429 119.800 -0.009 0.000 2.293 437 Q HA 0.610 4.950 4.340 -0.000 0.000 0.263 437 Q C -0.712 175.284 176.000 -0.007 0.000 1.002 437 Q CA 0.231 56.030 55.803 -0.006 0.000 0.910 437 Q CB 1.648 30.384 28.738 -0.003 0.000 1.185 437 Q HN 0.627 nan 8.270 nan 0.000 0.401 438 L N 0.942 122.160 121.223 -0.007 0.000 2.469 438 L HA 0.316 4.656 4.340 -0.000 0.000 0.256 438 L C -0.342 176.526 176.870 -0.003 0.000 1.006 438 L CA -1.308 53.528 54.840 -0.007 0.000 0.832 438 L CB 2.049 44.101 42.059 -0.012 0.000 1.421 438 L HN 0.420 nan 8.230 nan 0.000 0.410 439 D N 2.959 123.358 120.400 -0.002 0.000 2.346 439 D HA 0.106 4.746 4.640 -0.000 0.000 0.260 439 D C -1.704 174.597 176.300 0.001 0.000 1.252 439 D CA -1.575 52.425 54.000 -0.000 0.000 0.895 439 D CB 1.140 41.940 40.800 -0.000 0.000 1.097 439 D HN 0.164 nan 8.370 nan 0.000 0.489 440 P HA -0.050 nan 4.420 nan 0.000 0.239 440 P C 0.492 177.799 177.300 0.011 0.000 1.184 440 P CA 0.704 63.810 63.100 0.010 0.000 0.760 440 P CB 0.325 32.035 31.700 0.016 0.000 0.884 441 E N -0.765 119.439 120.200 0.006 0.000 2.276 441 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 441 E C 1.883 178.482 176.600 -0.001 0.000 0.983 441 E CA 0.137 56.540 56.400 0.004 0.000 0.861 441 E CB -0.172 29.530 29.700 0.003 0.000 0.817 441 E HN -0.047 nan 8.360 nan 0.000 0.485 442 V N 1.555 121.467 119.914 -0.003 0.000 2.277 442 V HA -0.227 3.893 4.120 -0.000 0.000 0.253 442 V C 1.111 177.196 176.094 -0.015 0.000 1.067 442 V CA 1.283 63.578 62.300 -0.008 0.000 1.047 442 V CB -0.295 31.524 31.823 -0.007 0.000 0.649 442 V HN 0.164 nan 8.190 nan 0.000 0.447 443 L N 0.824 122.038 121.223 -0.015 0.000 2.307 443 L HA 0.464 4.804 4.340 -0.000 0.000 0.282 443 L C -1.943 174.908 176.870 -0.032 0.000 1.051 443 L CA -1.833 52.987 54.840 -0.032 0.000 0.804 443 L CB 1.009 43.048 42.059 -0.033 0.000 1.197 443 L HN -0.006 nan 8.230 nan 0.000 0.431 444 P HA 0.283 nan 4.420 nan 0.000 0.282 444 P C -0.028 177.248 177.300 -0.040 0.000 1.286 444 P CA -0.125 62.946 63.100 -0.048 0.000 0.777 444 P CB 0.383 32.042 31.700 -0.068 0.000 1.184 445 T N -5.547 108.998 114.554 -0.014 0.000 3.003 445 T HA 0.094 4.444 4.350 -0.000 0.000 0.261 445 T C 0.251 174.968 174.700 0.029 0.000 1.003 445 T CA -0.305 61.819 62.100 0.040 0.000 0.917 445 T CB -0.399 68.507 68.868 0.062 0.000 1.084 445 T HN 0.413 nan 8.240 nan 0.000 0.522 446 D N 2.041 122.427 120.400 -0.023 0.000 2.255 446 D HA 0.230 4.870 4.640 -0.000 0.000 0.249 446 D C 1.374 177.632 176.300 -0.069 0.000 1.078 446 D CA -0.677 53.308 54.000 -0.025 0.000 0.896 446 D CB 1.784 42.565 40.800 -0.031 0.000 1.194 446 D HN 0.126 nan 8.370 nan 0.000 0.429 447 L N 1.168 122.368 121.223 -0.038 0.000 1.978 447 L HA -0.332 4.008 4.340 -0.000 0.000 0.218 447 L C 2.552 179.360 176.870 -0.104 0.000 1.075 447 L CA 2.435 57.234 54.840 -0.068 0.000 0.767 447 L CB -1.003 41.041 42.059 -0.024 0.000 0.890 447 L HN 0.603 nan 8.230 nan 0.000 0.434 448 E N 0.747 120.903 120.200 -0.072 0.000 2.033 448 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 448 E C 2.203 178.756 176.600 -0.080 0.000 1.011 448 E CA 1.549 57.909 56.400 -0.066 0.000 0.815 448 E CB -1.101 28.569 29.700 -0.049 0.000 0.755 448 E HN 0.388 nan 8.360 nan 0.000 0.451 449 G N 0.922 109.674 108.800 -0.081 0.000 2.442 449 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.219 449 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.219 449 G C 1.751 176.579 174.900 -0.119 0.000 1.141 449 G CA 1.229 46.279 45.100 -0.083 0.000 0.763 449 G HN 0.226 nan 8.290 nan 0.000 0.554 450 V N 0.661 120.462 119.914 -0.188 0.000 2.233 450 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 450 V C 3.103 179.071 176.094 -0.210 0.000 1.050 450 V CA 2.059 64.182 62.300 -0.295 0.000 1.010 450 V CB -0.876 30.568 31.823 -0.632 0.000 0.637 450 V HN 0.526 nan 8.190 nan 0.000 0.444 451 c N -0.198 118.302 118.600 -0.166 0.000 2.413 451 c HA -0.166 4.404 4.570 -0.000 0.000 0.277 451 c C 2.901 176.953 174.090 -0.063 0.000 1.265 451 c CA 1.377 57.652 56.329 -0.089 0.000 1.752 451 c CB -1.342 41.134 42.510 -0.057 0.000 1.998 451 c HN 0.607 nan 8.230 nan 0.000 0.489 452 R N 1.092 121.551 120.500 -0.067 0.000 2.083 452 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 452 R C 1.885 178.160 176.300 -0.042 0.000 1.137 452 R CA 2.257 58.329 56.100 -0.047 0.000 0.951 452 R CB -0.375 29.898 30.300 -0.044 0.000 0.851 452 R HN 0.393 nan 8.270 nan 0.000 0.434 453 V N 1.468 121.349 119.914 -0.055 0.000 2.515 453 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 453 V C 2.399 178.475 176.094 -0.030 0.000 1.058 453 V CA 1.370 63.645 62.300 -0.042 0.000 1.064 453 V CB -0.356 31.438 31.823 -0.048 0.000 0.675 453 V HN 0.340 nan 8.190 nan 0.000 0.461 454 L N 0.502 121.703 121.223 -0.037 0.000 2.156 454 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 454 L C 1.844 178.718 176.870 0.006 0.000 1.095 454 L CA 1.307 56.142 54.840 -0.009 0.000 0.770 454 L CB -0.560 41.494 42.059 -0.007 0.000 0.914 454 L HN 0.495 nan 8.230 nan 0.000 0.439 455 G N -0.053 108.744 108.800 -0.005 0.000 4.198 455 G HA2 0.328 4.288 3.960 -0.000 0.000 0.282 455 G HA3 0.328 4.288 3.960 -0.000 0.000 0.282 455 G C -0.123 174.776 174.900 -0.002 0.000 1.262 455 G CA 0.223 45.323 45.100 0.002 0.000 1.473 455 G HN 0.281 nan 8.290 nan 0.000 0.624 456 S N -1.383 114.318 115.700 0.001 0.000 2.587 456 S HA 0.273 4.743 4.470 -0.000 0.000 0.269 456 S C 0.084 174.686 174.600 0.003 0.000 1.154 456 S CA -0.544 57.656 58.200 -0.001 0.000 0.824 456 S CB 1.207 64.403 63.200 -0.007 0.000 1.118 456 S HN -0.017 nan 8.310 nan 0.000 0.462 457 D N 1.555 121.957 120.400 0.002 0.000 2.203 457 D HA 0.037 4.677 4.640 -0.000 0.000 0.199 457 D C 1.231 177.533 176.300 0.004 0.000 0.997 457 D CA 2.139 56.141 54.000 0.003 0.000 0.863 457 D CB -0.177 40.624 40.800 0.002 0.000 0.928 457 D HN 0.834 nan 8.370 nan 0.000 0.458 458 A N -0.443 122.378 122.820 0.001 0.000 2.911 458 A HA 0.657 4.977 4.320 -0.000 0.000 0.304 458 A C 0.200 177.785 177.584 0.001 0.000 1.144 458 A CA -0.296 51.742 52.037 0.002 0.000 0.988 458 A CB -0.052 18.947 19.000 -0.001 0.000 1.141 458 A HN 0.126 nan 8.150 nan 0.000 0.552 459 A N 1.697 124.521 122.820 0.006 0.000 2.409 459 A HA 0.628 4.947 4.320 -0.000 0.000 0.262 459 A C -2.364 175.228 177.584 0.014 0.000 1.113 459 A CA -1.315 50.727 52.037 0.008 0.000 0.790 459 A CB -0.214 18.796 19.000 0.016 0.000 1.046 459 A HN 0.348 nan 8.150 nan 0.000 0.496 460 P HA 0.058 nan 4.420 nan 0.000 0.266 460 P C -0.425 176.888 177.300 0.021 0.000 1.195 460 P CA 0.087 63.191 63.100 0.008 0.000 0.768 460 P CB 0.369 32.066 31.700 -0.005 0.000 0.838 461 R N 2.857 123.371 120.500 0.022 0.000 4.138 461 R HA 0.162 4.502 4.340 -0.000 0.000 0.206 461 R C 1.559 177.870 176.300 0.019 0.000 1.667 461 R CA -0.312 55.814 56.100 0.043 0.000 1.481 461 R CB -0.678 29.649 30.300 0.046 0.000 1.388 461 R HN 0.535 nan 8.270 nan 0.000 0.776 462 L N 0.464 121.676 121.223 -0.018 0.000 2.011 462 L HA -0.263 4.077 4.340 -0.000 0.000 0.225 462 L C 0.867 177.559 176.870 -0.297 0.000 1.084 462 L CA 1.869 56.593 54.840 -0.193 0.000 0.791 462 L CB -0.497 41.373 42.059 -0.314 0.000 0.898 462 L HN 0.259 nan 8.230 nan 0.000 0.440 463 F N 0.000 119.965 119.950 0.025 0.000 2.286 463 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 463 F CA 0.000 58.012 58.000 0.020 0.000 1.383 463 F CB 0.000 39.012 39.000 0.019 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574