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 3k38_1_G DATA FIRST_RESID 78 DATA SEQUENCE PEWTYPRLSc PGSTFQKALL ISPHRFGETK GNSAPLIIRE PFIAcGPKEc DATA SEQUENCE KHFALTHYAA QPGGYYNGTR GDRNKLRHLI SVKLGKIPTV ENSIFHMAAW DATA SEQUENCE SGSAcHDGKE WTYIGVDGPE NNALLKIKYG EAYTDTYHSY ANNILRTQES DATA SEQUENCE AcNcIGGNcY LMITDGSASG ISECRFLKIR EGRIIKEIFP TGRVKHTEEc DATA SEQUENCE TcGFASNKTI EcAcRDNSYT AKRPFVKLNV ETDTAEIRLM cTETYLDTPR DATA SEQUENCE PDDGSITGPc ESNGDKGSGG IKGGFVHQRM ASKIGRWYSR TMSKTKRMGM DATA SEQUENCE GLYVKYDGDP WTDSDALALS GVMVSMEEPG WYSFGFEIKD KKcDVPcIGI DATA SEQUENCE EMVHDGGKET WHSAATAIYc LMGSGQLLWD TVTGVDMAL 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 P HA 0.000 nan 4.420 nan 0.000 0.216 78 P C 0.000 177.177 177.300 -0.205 0.000 1.155 78 P CA 0.000 63.032 63.100 -0.114 0.000 0.800 78 P CB 0.000 31.643 31.700 -0.095 0.000 0.726 79 E N 0.090 120.181 120.200 -0.182 0.000 2.320 79 E HA 0.575 4.925 4.350 -0.000 0.000 0.264 79 E C -0.975 175.504 176.600 -0.201 0.000 0.923 79 E CA -0.513 55.731 56.400 -0.259 0.000 0.796 79 E CB 0.810 30.455 29.700 -0.092 0.000 1.262 79 E HN 0.406 nan 8.360 nan 0.000 0.428 80 W N 1.242 122.526 121.300 -0.027 0.000 2.209 80 W HA 0.126 4.786 4.660 -0.000 0.000 0.344 80 W C 0.583 176.988 176.519 -0.191 0.000 1.285 80 W CA -0.303 56.955 57.345 -0.145 0.000 1.267 80 W CB 0.250 29.562 29.460 -0.245 0.000 1.167 80 W HN 0.301 nan 8.180 nan 0.000 0.574 81 T N 0.014 114.566 114.554 -0.003 0.000 2.918 81 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 81 T C -1.089 173.384 174.700 -0.379 0.000 1.001 81 T CA -0.669 61.390 62.100 -0.068 0.000 1.041 81 T CB 1.074 69.941 68.868 -0.002 0.000 1.028 81 T HN 0.317 nan 8.240 nan 0.000 0.511 82 Y N 0.032 120.290 120.300 -0.070 0.000 2.581 82 Y HA 0.515 5.065 4.550 -0.000 0.000 0.345 82 Y C -2.356 173.393 175.900 -0.252 0.000 1.036 82 Y CA -2.678 55.299 58.100 -0.205 0.000 1.042 82 Y CB 1.841 40.214 38.460 -0.145 0.000 1.289 82 Y HN 0.505 nan 8.280 nan 0.000 0.471 83 P HA 0.268 nan 4.420 nan 0.000 0.271 83 P C -1.001 176.255 177.300 -0.072 0.000 1.216 83 P CA -0.140 62.838 63.100 -0.204 0.000 0.776 83 P CB 1.202 32.693 31.700 -0.348 0.000 0.881 84 R N 1.086 121.572 120.500 -0.024 0.000 2.923 84 R HA 0.555 4.895 4.340 -0.000 0.000 0.252 84 R C -0.249 176.053 176.300 0.003 0.000 1.130 84 R CA -1.242 54.853 56.100 -0.009 0.000 1.043 84 R CB 0.201 30.503 30.300 0.002 0.000 1.205 84 R HN 0.242 nan 8.270 nan 0.000 0.495 85 L N 0.912 122.139 121.223 0.006 0.000 2.514 85 L HA 0.048 4.388 4.340 -0.000 0.000 0.280 85 L C 0.137 177.023 176.870 0.027 0.000 1.223 85 L CA 0.919 55.772 54.840 0.021 0.000 0.864 85 L CB 0.499 42.569 42.059 0.018 0.000 1.118 85 L HN 0.589 nan 8.230 nan 0.000 0.494 86 S N 0.699 116.426 115.700 0.044 0.000 2.600 86 S HA 0.190 4.660 4.470 -0.000 0.000 0.265 86 S C 0.010 174.623 174.600 0.023 0.000 1.325 86 S CA -0.943 57.279 58.200 0.036 0.000 1.002 86 S CB 0.494 63.733 63.200 0.064 0.000 0.921 86 S HN 0.675 nan 8.310 nan 0.000 0.554 87 c N 2.992 121.590 118.600 -0.002 0.000 2.700 87 c HA 0.302 4.872 4.570 -0.000 0.000 0.397 87 c C -1.680 172.412 174.090 0.004 0.000 1.301 87 c CA -1.017 55.305 56.329 -0.010 0.000 2.219 87 c CB -0.960 41.528 42.510 -0.037 0.000 2.699 87 c HN 0.621 nan 8.230 nan 0.000 0.669 88 P HA 0.484 nan 4.420 nan 0.000 0.271 88 P C -0.054 177.256 177.300 0.017 0.000 1.233 88 P CA 0.765 63.878 63.100 0.021 0.000 0.789 88 P CB 0.278 31.986 31.700 0.013 0.000 0.951 89 G N -0.858 107.971 108.800 0.048 0.000 2.321 89 G HA2 0.326 4.286 3.960 -0.000 0.000 0.339 89 G HA3 0.326 4.286 3.960 -0.000 0.000 0.339 89 G C -0.235 174.752 174.900 0.144 0.000 1.518 89 G CA 0.055 45.189 45.100 0.057 0.000 0.994 89 G HN 0.605 nan 8.290 nan 0.000 0.668 90 S N -1.735 114.069 115.700 0.174 0.000 2.817 90 S HA 0.605 5.074 4.470 -0.000 0.000 0.262 90 S C 0.397 175.237 174.600 0.400 0.000 1.051 90 S CA 0.992 59.373 58.200 0.301 0.000 1.185 90 S CB 1.097 64.412 63.200 0.193 0.000 1.152 90 S HN 1.681 nan 8.310 nan 0.000 0.653 91 T N 1.012 115.728 114.554 0.270 0.000 2.900 91 T HA 0.674 5.024 4.350 -0.000 0.000 0.303 91 T C -1.835 172.962 174.700 0.163 0.000 1.142 91 T CA -0.438 61.834 62.100 0.286 0.000 1.007 91 T CB 0.827 69.831 68.868 0.227 0.000 1.156 91 T HN 0.090 nan 8.240 nan 0.000 0.490 92 F N 2.875 122.716 119.950 -0.182 0.000 2.375 92 F HA 0.608 5.135 4.527 -0.000 0.000 0.333 92 F C 0.879 176.702 175.800 0.038 0.000 1.104 92 F CA -0.420 57.484 58.000 -0.161 0.000 1.149 92 F CB 1.227 40.113 39.000 -0.190 0.000 1.190 92 F HN 0.365 nan 8.300 nan 0.000 0.533 93 Q N 0.883 120.771 119.800 0.147 0.000 2.484 93 Q HA 0.241 4.581 4.340 -0.000 0.000 0.285 93 Q C -0.843 175.097 176.000 -0.101 0.000 1.097 93 Q CA -1.200 54.670 55.803 0.111 0.000 0.802 93 Q CB 2.327 31.070 28.738 0.008 0.000 1.444 93 Q HN 0.520 nan 8.270 nan 0.000 0.429 94 K N 0.512 120.741 120.400 -0.286 0.000 2.436 94 K HA 0.211 4.531 4.320 -0.000 0.000 0.282 94 K C 0.138 176.506 176.600 -0.387 0.000 1.044 94 K CA 0.466 56.281 56.287 -0.786 0.000 1.028 94 K CB 0.397 32.675 32.500 -0.371 0.000 0.919 94 K HN 0.692 nan 8.250 nan 0.000 0.474 95 A N 4.839 127.423 122.820 -0.393 0.000 1.963 95 A HA 0.218 4.537 4.320 -0.000 0.000 0.211 95 A C -0.205 177.314 177.584 -0.108 0.000 1.380 95 A CA 0.233 52.161 52.037 -0.181 0.000 0.690 95 A CB 0.195 19.117 19.000 -0.131 0.000 1.060 95 A HN 0.597 nan 8.150 nan 0.000 0.498 96 L N -1.150 120.017 121.223 -0.095 0.000 2.549 96 L HA 0.673 5.013 4.340 -0.000 0.000 0.259 96 L C -1.880 174.984 176.870 -0.011 0.000 0.934 96 L CA -0.499 54.322 54.840 -0.032 0.000 0.865 96 L CB 2.064 44.118 42.059 -0.008 0.000 1.352 96 L HN 0.290 nan 8.230 nan 0.000 0.410 97 L N 5.353 126.583 121.223 0.011 0.000 2.322 97 L HA 0.707 5.047 4.340 -0.000 0.000 0.281 97 L C -1.340 175.555 176.870 0.042 0.000 1.014 97 L CA -0.219 54.642 54.840 0.036 0.000 0.815 97 L CB 1.466 43.549 42.059 0.040 0.000 1.247 97 L HN 0.479 nan 8.230 nan 0.000 0.421 98 I N 4.380 124.980 120.570 0.050 0.000 2.371 98 I HA 0.282 4.452 4.170 -0.000 0.000 0.282 98 I C 0.025 176.211 176.117 0.116 0.000 1.031 98 I CA -0.047 61.300 61.300 0.078 0.000 1.180 98 I CB 0.792 38.827 38.000 0.059 0.000 1.336 98 I HN 0.664 nan 8.210 nan 0.000 0.467 99 S N 8.454 124.209 115.700 0.091 0.000 2.269 99 S HA 0.444 4.914 4.470 -0.000 0.000 0.194 99 S C -1.645 172.947 174.600 -0.014 0.000 1.547 99 S CA -1.237 57.010 58.200 0.080 0.000 1.186 99 S CB 0.671 63.898 63.200 0.044 0.000 1.069 99 S HN 0.270 nan 8.310 nan 0.000 0.473 100 P HA -0.077 nan 4.420 nan 0.000 0.218 100 P C 0.856 177.950 177.300 -0.343 0.000 1.149 100 P CA 0.986 64.004 63.100 -0.137 0.000 0.817 100 P CB -0.018 31.506 31.700 -0.294 0.000 0.785 101 H N -1.078 117.908 119.070 -0.139 0.000 2.556 101 H HA 0.156 4.712 4.556 -0.000 0.000 0.268 101 H C 1.655 176.778 175.328 -0.342 0.000 0.996 101 H CA 0.454 56.316 56.048 -0.310 0.000 1.157 101 H CB -0.054 29.421 29.762 -0.479 0.000 1.355 101 H HN 0.060 nan 8.280 nan 0.000 0.597 102 R N 0.375 120.631 120.500 -0.406 0.000 2.293 102 R HA -0.066 4.274 4.340 -0.000 0.000 0.219 102 R C 0.381 176.217 176.300 -0.775 0.000 1.091 102 R CA 0.589 56.301 56.100 -0.646 0.000 1.004 102 R CB -0.178 29.592 30.300 -0.883 0.000 0.865 102 R HN 0.299 nan 8.270 nan 0.000 0.469 103 F N -2.207 117.693 119.950 -0.083 0.000 2.729 103 F HA 0.325 4.852 4.527 -0.000 0.000 0.315 103 F C 1.683 177.422 175.800 -0.102 0.000 1.102 103 F CA -0.443 57.507 58.000 -0.083 0.000 1.204 103 F CB 0.232 39.179 39.000 -0.088 0.000 1.052 103 F HN -0.134 nan 8.300 nan 0.000 0.551 104 G N 0.148 108.917 108.800 -0.053 0.000 3.383 104 G HA2 0.138 4.098 3.960 -0.000 0.000 0.251 104 G HA3 0.138 4.098 3.960 -0.000 0.000 0.251 104 G C 0.093 174.939 174.900 -0.090 0.000 1.203 104 G CA -0.215 44.823 45.100 -0.105 0.000 0.852 104 G HN 0.179 nan 8.290 nan 0.000 0.531 105 E N -0.377 119.807 120.200 -0.026 0.000 2.404 105 E HA 0.264 4.614 4.350 -0.000 0.000 0.261 105 E C 1.324 177.934 176.600 0.016 0.000 1.074 105 E CA 0.000 56.403 56.400 0.004 0.000 0.917 105 E CB 0.694 30.405 29.700 0.019 0.000 0.965 105 E HN -0.014 nan 8.360 nan 0.000 0.433 106 T N 1.946 116.520 114.554 0.033 0.000 2.833 106 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 106 T C 1.199 175.914 174.700 0.025 0.000 1.054 106 T CA 0.938 63.058 62.100 0.034 0.000 1.135 106 T CB 0.014 68.909 68.868 0.045 0.000 0.869 106 T HN 0.262 nan 8.240 nan 0.000 0.466 107 K N 1.083 121.499 120.400 0.027 0.000 2.439 107 K HA 0.134 4.454 4.320 -0.000 0.000 0.197 107 K C 1.332 177.946 176.600 0.025 0.000 1.041 107 K CA 0.101 56.403 56.287 0.024 0.000 0.970 107 K CB -0.329 32.186 32.500 0.025 0.000 0.773 107 K HN 0.418 nan 8.250 nan 0.000 0.479 108 G N 0.682 109.499 108.800 0.028 0.000 2.568 108 G HA2 0.161 4.121 3.960 -0.000 0.000 0.293 108 G HA3 0.161 4.121 3.960 -0.000 0.000 0.293 108 G C 0.056 174.969 174.900 0.022 0.000 1.347 108 G CA -0.472 44.649 45.100 0.036 0.000 1.039 108 G HN 0.086 nan 8.290 nan 0.000 0.523 109 N N -0.390 118.320 118.700 0.017 0.000 2.517 109 N HA 0.241 4.980 4.740 -0.000 0.000 0.285 109 N C -0.539 174.964 175.510 -0.013 0.000 1.528 109 N CA -0.159 52.890 53.050 -0.002 0.000 0.892 109 N CB 1.259 39.739 38.487 -0.011 0.000 1.356 109 N HN 0.242 nan 8.380 nan 0.000 0.495 110 S N -0.060 115.640 115.700 0.000 0.000 2.689 110 S HA 0.784 5.254 4.470 -0.000 0.000 0.306 110 S C -0.114 174.478 174.600 -0.013 0.000 1.104 110 S CA -0.660 57.531 58.200 -0.016 0.000 0.973 110 S CB 2.326 65.528 63.200 0.003 0.000 1.121 110 S HN 0.215 nan 8.310 nan 0.000 0.523 111 A N 2.484 125.287 122.820 -0.028 0.000 3.258 111 A HA 0.509 4.828 4.320 -0.000 0.000 0.318 111 A C -2.886 174.669 177.584 -0.047 0.000 0.990 111 A CA -1.420 50.604 52.037 -0.023 0.000 0.885 111 A CB -0.052 18.944 19.000 -0.007 0.000 1.090 111 A HN 0.452 nan 8.150 nan 0.000 0.479 112 P HA 0.144 nan 4.420 nan 0.000 0.268 112 P C -0.133 177.102 177.300 -0.109 0.000 1.204 112 P CA 0.360 63.350 63.100 -0.183 0.000 0.768 112 P CB 0.863 32.296 31.700 -0.444 0.000 0.842 113 L N 3.606 124.774 121.223 -0.091 0.000 2.397 113 L HA 0.255 4.595 4.340 -0.000 0.000 0.271 113 L C 1.072 178.012 176.870 0.117 0.000 1.148 113 L CA -0.672 54.170 54.840 0.004 0.000 0.825 113 L CB 0.169 42.184 42.059 -0.072 0.000 1.117 113 L HN 0.265 nan 8.230 nan 0.000 0.456 114 I N 4.530 125.221 120.570 0.200 0.000 2.421 114 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 114 I C 0.066 176.321 176.117 0.230 0.000 1.089 114 I CA 0.137 61.601 61.300 0.273 0.000 1.354 114 I CB 0.242 38.423 38.000 0.302 0.000 1.413 114 I HN 0.429 nan 8.210 nan 0.000 0.513 115 I N 4.857 125.552 120.570 0.209 0.000 3.108 115 I HA 0.759 4.928 4.170 -0.000 0.000 0.312 115 I C -0.398 175.780 176.117 0.102 0.000 1.095 115 I CA -0.783 60.581 61.300 0.107 0.000 1.000 115 I CB 1.973 39.980 38.000 0.013 0.000 1.229 115 I HN 0.410 nan 8.210 nan 0.000 0.454 116 R N 0.254 120.788 120.500 0.057 0.000 2.781 116 R HA 0.371 4.711 4.340 -0.000 0.000 0.268 116 R C -1.174 175.166 176.300 0.066 0.000 1.047 116 R CA -0.956 55.166 56.100 0.037 0.000 0.925 116 R CB 1.610 31.942 30.300 0.054 0.000 1.246 116 R HN 0.799 nan 8.270 nan 0.000 0.456 117 E N 0.322 120.569 120.200 0.078 0.000 2.228 117 E HA -0.158 4.192 4.350 -0.000 0.000 0.213 117 E C -2.464 174.275 176.600 0.231 0.000 1.282 117 E CA 0.480 57.008 56.400 0.213 0.000 0.707 117 E CB -1.094 28.765 29.700 0.266 0.000 1.150 117 E HN 0.252 nan 8.360 nan 0.000 0.362 118 P HA 0.340 nan 4.420 nan 0.000 0.274 118 P C -0.227 177.007 177.300 -0.109 0.000 1.237 118 P CA -0.139 63.003 63.100 0.070 0.000 0.793 118 P CB 0.536 32.367 31.700 0.218 0.000 0.977 119 F N -1.306 118.401 119.950 -0.405 0.000 2.817 119 F HA 0.714 5.241 4.527 -0.000 0.000 0.317 119 F C -1.776 173.847 175.800 -0.294 0.000 1.168 119 F CA -1.287 56.075 58.000 -1.062 0.000 0.911 119 F CB 0.759 39.333 39.000 -0.710 0.000 1.337 119 F HN 0.054 nan 8.300 nan 0.000 0.464 120 I N 1.557 122.085 120.570 -0.069 0.000 2.647 120 I HA 0.806 4.976 4.170 -0.000 0.000 0.295 120 I C -0.844 175.416 176.117 0.238 0.000 1.078 120 I CA -1.059 60.208 61.300 -0.055 0.000 1.048 120 I CB 2.094 39.698 38.000 -0.661 0.000 1.239 120 I HN 1.017 nan 8.210 nan 0.000 0.421 121 A N 4.362 127.434 122.820 0.419 0.000 2.475 121 A HA 0.864 5.184 4.320 -0.000 0.000 0.301 121 A C -1.448 176.504 177.584 0.613 0.000 1.059 121 A CA -0.434 51.947 52.037 0.575 0.000 0.710 121 A CB 1.632 21.075 19.000 0.737 0.000 1.288 121 A HN 0.743 nan 8.150 nan 0.000 0.408 122 c N 0.683 119.569 118.600 0.477 0.000 2.626 122 c HA 0.898 5.468 4.570 -0.000 0.000 0.310 122 c C 1.010 175.154 174.090 0.091 0.000 1.191 122 c CA -0.077 56.460 56.329 0.347 0.000 1.517 122 c CB 1.360 44.042 42.510 0.287 0.000 2.102 122 c HN 1.242 nan 8.230 nan 0.000 0.479 123 G N 1.648 110.369 108.800 -0.131 0.000 2.938 123 G HA2 0.622 4.582 3.960 -0.000 0.000 0.258 123 G HA3 0.622 4.582 3.960 -0.000 0.000 0.258 123 G C -1.775 172.969 174.900 -0.261 0.000 1.356 123 G CA -0.578 44.204 45.100 -0.530 0.000 1.052 123 G HN 0.434 nan 8.290 nan 0.000 0.550 124 P HA 0.002 nan 4.420 nan 0.000 0.226 124 P C 0.708 177.965 177.300 -0.071 0.000 1.153 124 P CA 1.270 64.301 63.100 -0.116 0.000 0.777 124 P CB 0.193 31.839 31.700 -0.090 0.000 0.794 125 K N -2.201 118.151 120.400 -0.081 0.000 2.521 125 K HA 0.317 4.637 4.320 -0.000 0.000 0.213 125 K C 0.501 177.112 176.600 0.019 0.000 1.223 125 K CA -0.336 55.938 56.287 -0.021 0.000 1.013 125 K CB 1.000 33.492 32.500 -0.013 0.000 1.017 125 K HN -0.101 nan 8.250 nan 0.000 0.591 126 E N 0.584 120.810 120.200 0.044 0.000 2.352 126 E HA 0.317 4.667 4.350 -0.000 0.000 0.280 126 E C -1.573 175.144 176.600 0.195 0.000 0.930 126 E CA -0.927 55.541 56.400 0.114 0.000 0.765 126 E CB 2.235 32.031 29.700 0.160 0.000 1.219 126 E HN 0.234 nan 8.360 nan 0.000 0.434 127 c N 3.405 122.099 118.600 0.156 0.000 2.329 127 c HA 0.504 5.073 4.570 -0.000 0.000 0.329 127 c C -0.266 173.862 174.090 0.063 0.000 1.275 127 c CA -0.673 55.763 56.329 0.178 0.000 1.726 127 c CB 0.295 42.887 42.510 0.136 0.000 2.291 127 c HN 0.489 nan 8.230 nan 0.000 0.514 128 K N 1.773 122.192 120.400 0.032 0.000 2.244 128 K HA 0.297 4.617 4.320 -0.000 0.000 0.260 128 K C -0.426 175.953 176.600 -0.369 0.000 0.951 128 K CA -0.337 55.749 56.287 -0.336 0.000 0.826 128 K CB 1.250 33.253 32.500 -0.828 0.000 1.108 128 K HN 0.818 nan 8.250 nan 0.000 0.433 129 H N 4.147 122.905 119.070 -0.520 0.000 2.705 129 H HA 0.178 4.734 4.556 -0.000 0.000 0.291 129 H C -0.982 173.951 175.328 -0.658 0.000 1.085 129 H CA -0.593 55.185 56.048 -0.449 0.000 1.357 129 H CB 0.248 29.847 29.762 -0.272 0.000 1.419 129 H HN 0.346 nan 8.280 nan 0.000 0.462 130 F N 2.981 122.567 119.950 -0.606 0.000 2.440 130 F HA 0.620 5.147 4.527 -0.000 0.000 0.328 130 F C 0.324 175.678 175.800 -0.744 0.000 1.070 130 F CA -0.106 57.387 58.000 -0.846 0.000 1.011 130 F CB 1.827 39.897 39.000 -1.551 0.000 1.226 130 F HN 0.638 nan 8.300 nan 0.000 0.491 131 A N 1.275 123.919 122.820 -0.293 0.000 2.566 131 A HA 0.723 5.043 4.320 -0.000 0.000 0.290 131 A C -2.062 175.483 177.584 -0.065 0.000 1.071 131 A CA -0.816 51.125 52.037 -0.160 0.000 0.658 131 A CB 1.073 19.940 19.000 -0.222 0.000 1.285 131 A HN 0.646 nan 8.150 nan 0.000 0.427 132 L N 1.429 122.649 121.223 -0.006 0.000 2.280 132 L HA 0.567 4.907 4.340 -0.000 0.000 0.287 132 L C 0.399 177.231 176.870 -0.063 0.000 1.023 132 L CA -0.396 54.443 54.840 -0.003 0.000 0.819 132 L CB 1.587 43.682 42.059 0.059 0.000 1.212 132 L HN 0.798 nan 8.230 nan 0.000 0.420 133 T N 0.206 114.710 114.554 -0.084 0.000 2.929 133 T HA 0.261 4.611 4.350 -0.000 0.000 0.284 133 T C 0.762 175.459 174.700 -0.006 0.000 1.014 133 T CA -0.386 61.678 62.100 -0.060 0.000 1.051 133 T CB 0.749 69.529 68.868 -0.147 0.000 1.028 133 T HN 0.520 nan 8.240 nan 0.000 0.485 134 H N 2.850 122.032 119.070 0.186 0.000 2.533 134 H HA 0.085 4.641 4.556 -0.000 0.000 0.271 134 H C -0.222 175.299 175.328 0.321 0.000 1.000 134 H CA 0.176 56.373 56.048 0.248 0.000 1.149 134 H CB -0.173 29.726 29.762 0.227 0.000 1.375 134 H HN 0.796 nan 8.280 nan 0.000 0.582 135 Y N -0.406 120.042 120.300 0.246 0.000 3.790 135 Y HA -0.217 4.332 4.550 -0.000 0.000 0.226 135 Y C -0.211 175.778 175.900 0.149 0.000 1.257 135 Y CA 0.259 58.486 58.100 0.212 0.000 1.765 135 Y CB -1.426 37.122 38.460 0.147 0.000 1.552 135 Y HN 0.369 nan 8.280 nan 0.000 0.650 136 A N -0.237 122.775 122.820 0.321 0.000 2.572 136 A HA 0.998 5.318 4.320 -0.000 0.000 0.295 136 A C -0.824 176.918 177.584 0.262 0.000 1.072 136 A CA -0.155 52.072 52.037 0.317 0.000 0.691 136 A CB 1.306 20.534 19.000 0.381 0.000 1.291 136 A HN 1.186 nan 8.150 nan 0.000 0.404 137 A N 0.449 123.418 122.820 0.248 0.000 2.386 137 A HA 0.817 5.136 4.320 -0.000 0.000 0.308 137 A C -0.623 177.071 177.584 0.185 0.000 1.128 137 A CA -0.572 51.566 52.037 0.168 0.000 0.789 137 A CB 1.491 20.558 19.000 0.111 0.000 1.325 137 A HN 0.851 nan 8.150 nan 0.000 0.437 138 Q N 1.285 121.122 119.800 0.061 0.000 2.333 138 Q HA 0.459 4.799 4.340 -0.000 0.000 0.265 138 Q C -2.679 173.293 176.000 -0.047 0.000 0.989 138 Q CA -2.145 53.630 55.803 -0.046 0.000 0.842 138 Q CB 2.162 30.597 28.738 -0.504 0.000 1.262 138 Q HN 0.527 nan 8.270 nan 0.000 0.451 139 P HA 0.396 nan 4.420 nan 0.000 0.277 139 P C -0.562 176.783 177.300 0.076 0.000 1.240 139 P CA 0.113 63.267 63.100 0.091 0.000 0.798 139 P CB 1.518 33.249 31.700 0.052 0.000 0.979 140 G N -0.236 108.562 108.800 -0.003 0.000 2.554 140 G HA2 0.477 4.437 3.960 -0.000 0.000 0.306 140 G HA3 0.477 4.437 3.960 -0.000 0.000 0.306 140 G C -0.107 174.486 174.900 -0.513 0.000 1.320 140 G CA -0.160 44.854 45.100 -0.145 0.000 0.800 140 G HN 0.448 nan 8.290 nan 0.000 0.481 141 G N -1.551 106.958 108.800 -0.484 0.000 3.159 141 G HA2 0.357 4.317 3.960 -0.000 0.000 0.232 141 G HA3 0.357 4.317 3.960 -0.000 0.000 0.232 141 G C -0.214 174.279 174.900 -0.679 0.000 1.116 141 G CA 0.170 44.872 45.100 -0.664 0.000 0.767 141 G HN 0.326 nan 8.290 nan 0.000 0.547 142 Y N 0.430 120.624 120.300 -0.178 0.000 2.685 142 Y HA 0.370 4.919 4.550 -0.000 0.000 0.339 142 Y C 0.827 176.815 175.900 0.147 0.000 0.961 142 Y CA -1.440 56.660 58.100 -0.000 0.000 1.330 142 Y CB 0.134 38.635 38.460 0.069 0.000 1.269 142 Y HN 0.104 nan 8.280 nan 0.000 0.566 143 Y N -0.974 119.420 120.300 0.157 0.000 2.395 143 Y HA -0.062 4.488 4.550 -0.000 0.000 0.293 143 Y C 1.200 177.151 175.900 0.085 0.000 1.123 143 Y CA -0.350 57.842 58.100 0.152 0.000 1.227 143 Y CB -0.426 38.139 38.460 0.175 0.000 1.012 143 Y HN 0.217 nan 8.280 nan 0.000 0.552 144 N N 0.626 119.454 118.700 0.213 0.000 2.440 144 N HA 0.245 4.985 4.740 -0.000 0.000 0.265 144 N C 1.020 176.574 175.510 0.074 0.000 1.239 144 N CA 1.393 54.513 53.050 0.116 0.000 0.909 144 N CB 0.322 38.860 38.487 0.085 0.000 1.066 144 N HN 0.515 nan 8.380 nan 0.000 0.474 145 G N 1.822 110.626 108.800 0.006 0.000 2.179 145 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 145 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 145 G C 0.799 175.554 174.900 -0.242 0.000 0.990 145 G CA 0.535 45.603 45.100 -0.054 0.000 0.646 145 G HN 0.749 nan 8.290 nan 0.000 0.517 146 T N -2.030 112.366 114.554 -0.264 0.000 3.113 146 T HA 0.258 4.608 4.350 -0.000 0.000 0.256 146 T C 1.934 176.489 174.700 -0.242 0.000 1.131 146 T CA 1.026 62.802 62.100 -0.540 0.000 1.074 146 T CB 0.030 68.828 68.868 -0.117 0.000 0.944 146 T HN 0.387 nan 8.240 nan 0.000 0.516 147 R N 0.972 121.332 120.500 -0.234 0.000 2.127 147 R HA 0.203 4.543 4.340 -0.000 0.000 0.217 147 R C 1.665 177.879 176.300 -0.144 0.000 1.074 147 R CA 0.497 56.364 56.100 -0.388 0.000 0.991 147 R CB -0.460 29.593 30.300 -0.411 0.000 0.895 147 R HN 0.512 nan 8.270 nan 0.000 0.450 148 G N 0.312 109.081 108.800 -0.052 0.000 2.699 148 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.246 148 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.246 148 G C -0.082 174.937 174.900 0.199 0.000 1.219 148 G CA -0.308 44.820 45.100 0.047 0.000 0.866 148 G HN 0.085 nan 8.290 nan 0.000 0.572 149 D N -0.624 119.856 120.400 0.133 0.000 2.463 149 D HA 0.054 4.694 4.640 -0.000 0.000 0.237 149 D C 0.907 177.264 176.300 0.095 0.000 1.013 149 D CA 0.496 54.589 54.000 0.155 0.000 0.910 149 D CB 0.494 41.359 40.800 0.109 0.000 1.080 149 D HN 0.272 nan 8.370 nan 0.000 0.498 150 R N 1.356 121.804 120.500 -0.087 0.000 2.295 150 R HA 0.442 4.782 4.340 -0.000 0.000 0.324 150 R C -0.538 175.720 176.300 -0.071 0.000 0.968 150 R CA -0.430 55.469 56.100 -0.335 0.000 0.837 150 R CB 1.140 30.899 30.300 -0.902 0.000 1.133 150 R HN 0.128 nan 8.270 nan 0.000 0.450 151 N N -0.254 118.516 118.700 0.117 0.000 3.020 151 N HA 0.140 4.880 4.740 -0.000 0.000 0.248 151 N C -0.534 175.130 175.510 0.256 0.000 1.480 151 N CA -1.081 52.070 53.050 0.167 0.000 0.874 151 N CB 1.018 39.617 38.487 0.187 0.000 1.433 151 N HN 0.146 nan 8.380 nan 0.000 0.530 152 K N -0.366 120.145 120.400 0.184 0.000 2.486 152 K HA 0.233 4.553 4.320 -0.000 0.000 0.194 152 K C 0.567 177.270 176.600 0.172 0.000 1.033 152 K CA 0.680 57.065 56.287 0.164 0.000 1.004 152 K CB -0.263 32.298 32.500 0.103 0.000 0.798 152 K HN 0.440 nan 8.250 nan 0.000 0.495 153 L N -0.286 121.069 121.223 0.220 0.000 2.609 153 L HA 0.134 4.474 4.340 -0.000 0.000 0.230 153 L C 0.703 177.885 176.870 0.520 0.000 1.087 153 L CA -0.350 54.665 54.840 0.291 0.000 0.874 153 L CB 0.306 42.484 42.059 0.199 0.000 1.114 153 L HN -0.058 nan 8.230 nan 0.000 0.488 154 R N 0.281 120.995 120.500 0.357 0.000 2.522 154 R HA 0.145 4.484 4.340 -0.000 0.000 0.284 154 R C -1.072 175.358 176.300 0.217 0.000 1.032 154 R CA 0.552 56.815 56.100 0.271 0.000 1.049 154 R CB 0.062 30.486 30.300 0.208 0.000 0.956 154 R HN 0.047 nan 8.270 nan 0.000 0.422 155 H N 1.868 121.017 119.070 0.131 0.000 2.894 155 H HA 0.318 4.874 4.556 -0.000 0.000 0.367 155 H C -1.313 174.005 175.328 -0.017 0.000 1.144 155 H CA -0.827 55.286 56.048 0.108 0.000 1.180 155 H CB 1.407 31.307 29.762 0.230 0.000 1.758 155 H HN 0.378 nan 8.280 nan 0.000 0.541 156 L N 4.377 125.661 121.223 0.103 0.000 2.313 156 L HA 0.378 4.717 4.340 -0.000 0.000 0.282 156 L C -0.825 176.058 176.870 0.022 0.000 1.092 156 L CA -0.139 54.749 54.840 0.081 0.000 0.831 156 L CB -0.560 41.577 42.059 0.130 0.000 1.159 156 L HN 0.590 nan 8.230 nan 0.000 0.442 157 I N 2.213 122.711 120.570 -0.120 0.000 2.957 157 I HA 0.969 5.139 4.170 -0.000 0.000 0.310 157 I C -0.424 175.544 176.117 -0.248 0.000 1.063 157 I CA -0.421 60.677 61.300 -0.337 0.000 1.033 157 I CB 2.219 39.769 38.000 -0.749 0.000 1.230 157 I HN 0.627 nan 8.210 nan 0.000 0.447 158 S N 1.998 117.458 115.700 -0.400 0.000 2.550 158 S HA 0.896 5.366 4.470 -0.000 0.000 0.270 158 S C -0.782 173.524 174.600 -0.491 0.000 1.145 158 S CA -0.264 57.572 58.200 -0.606 0.000 0.852 158 S CB 1.287 63.880 63.200 -1.013 0.000 1.119 158 S HN 1.758 nan 8.310 nan 0.000 0.465 159 V N -0.982 118.655 119.914 -0.462 0.000 3.126 159 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 159 V C -0.198 175.726 176.094 -0.283 0.000 1.138 159 V CA -1.330 60.786 62.300 -0.308 0.000 1.034 159 V CB 1.539 33.237 31.823 -0.210 0.000 1.075 159 V HN 1.227 nan 8.190 nan 0.000 0.442 160 K N 1.636 121.922 120.400 -0.190 0.000 2.447 160 K HA 0.229 4.549 4.320 -0.000 0.000 0.281 160 K C -0.321 176.229 176.600 -0.084 0.000 1.031 160 K CA -0.510 55.699 56.287 -0.130 0.000 1.019 160 K CB 0.663 33.115 32.500 -0.079 0.000 0.918 160 K HN 0.745 nan 8.250 nan 0.000 0.476 161 L N 5.023 126.207 121.223 -0.065 0.000 2.628 161 L HA 0.017 4.357 4.340 -0.000 0.000 0.274 161 L C 1.056 177.911 176.870 -0.026 0.000 1.209 161 L CA 2.278 57.092 54.840 -0.043 0.000 0.930 161 L CB 0.209 42.240 42.059 -0.047 0.000 1.183 161 L HN 1.025 nan 8.230 nan 0.000 0.492 162 G N 2.891 111.680 108.800 -0.020 0.000 2.380 162 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.197 162 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.197 162 G C 0.186 175.082 174.900 -0.007 0.000 1.001 162 G CA -0.367 44.727 45.100 -0.010 0.000 0.668 162 G HN 0.501 nan 8.290 nan 0.000 0.483 163 K N 1.157 121.547 120.400 -0.017 0.000 2.118 163 K HA 0.577 4.896 4.320 -0.000 0.000 0.267 163 K C 0.400 176.991 176.600 -0.014 0.000 0.991 163 K CA -0.730 55.537 56.287 -0.033 0.000 0.916 163 K CB 1.434 33.896 32.500 -0.064 0.000 1.041 163 K HN 0.181 nan 8.250 nan 0.000 0.455 164 I N 4.566 125.118 120.570 -0.029 0.000 2.396 164 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 164 I C -1.860 174.218 176.117 -0.065 0.000 1.056 164 I CA -2.556 58.737 61.300 -0.011 0.000 1.365 164 I CB 0.445 38.444 38.000 -0.002 0.000 1.407 164 I HN 0.140 nan 8.210 nan 0.000 0.509 165 P HA 0.080 nan 4.420 nan 0.000 0.256 165 P C 0.010 177.222 177.300 -0.146 0.000 1.688 165 P CA -0.067 62.939 63.100 -0.158 0.000 1.162 165 P CB -0.494 31.068 31.700 -0.229 0.000 1.870 166 T N -1.930 112.552 114.554 -0.120 0.000 2.897 166 T HA 0.245 4.595 4.350 -0.000 0.000 0.278 166 T C 1.510 176.168 174.700 -0.070 0.000 0.981 166 T CA -0.748 61.296 62.100 -0.094 0.000 0.973 166 T CB 0.412 69.230 68.868 -0.084 0.000 1.092 166 T HN -0.079 nan 8.240 nan 0.000 0.543 167 V N 1.136 121.033 119.914 -0.027 0.000 2.250 167 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 167 V C 2.768 178.872 176.094 0.017 0.000 1.060 167 V CA 2.351 64.666 62.300 0.025 0.000 1.030 167 V CB -0.977 30.861 31.823 0.026 0.000 0.643 167 V HN 0.937 nan 8.190 nan 0.000 0.445 168 E N -0.454 119.732 120.200 -0.024 0.000 2.112 168 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 168 E C 2.084 178.653 176.600 -0.053 0.000 0.979 168 E CA 0.890 57.269 56.400 -0.036 0.000 0.814 168 E CB -0.181 29.491 29.700 -0.046 0.000 0.762 168 E HN 0.532 nan 8.360 nan 0.000 0.460 169 N N 0.556 119.212 118.700 -0.074 0.000 2.270 169 N HA -0.025 4.715 4.740 -0.000 0.000 0.181 169 N C 0.359 175.795 175.510 -0.124 0.000 1.016 169 N CA 0.425 53.417 53.050 -0.096 0.000 0.870 169 N CB 0.068 38.492 38.487 -0.105 0.000 0.979 169 N HN -0.100 nan 8.380 nan 0.000 0.431 170 S N 0.330 115.949 115.700 -0.134 0.000 2.585 170 S HA 0.279 4.749 4.470 -0.000 0.000 0.273 170 S C 0.243 174.745 174.600 -0.164 0.000 1.339 170 S CA -0.452 57.616 58.200 -0.219 0.000 1.028 170 S CB 1.280 64.287 63.200 -0.322 0.000 0.906 170 S HN 0.164 nan 8.310 nan 0.000 0.528 171 I N 1.723 122.122 120.570 -0.286 0.000 2.441 171 I HA 0.474 4.644 4.170 -0.000 0.000 0.295 171 I C -1.459 174.411 176.117 -0.411 0.000 0.994 171 I CA -0.945 60.195 61.300 -0.267 0.000 1.144 171 I CB 0.788 38.562 38.000 -0.376 0.000 1.314 171 I HN 0.488 nan 8.210 nan 0.000 0.445 172 F N 6.559 126.265 119.950 -0.407 0.000 2.391 172 F HA 0.333 4.860 4.527 -0.000 0.000 0.359 172 F C 1.257 176.890 175.800 -0.279 0.000 1.122 172 F CA -0.387 57.432 58.000 -0.301 0.000 1.120 172 F CB 0.721 39.583 39.000 -0.230 0.000 1.142 172 F HN 0.555 nan 8.300 nan 0.000 0.483 173 H N 3.601 122.684 119.070 0.022 0.000 2.370 173 H HA 0.182 4.738 4.556 -0.000 0.000 0.304 173 H C 0.465 175.880 175.328 0.145 0.000 1.055 173 H CA 1.228 57.237 56.048 -0.065 0.000 1.373 173 H CB 0.526 30.108 29.762 -0.301 0.000 1.423 173 H HN 0.577 nan 8.280 nan 0.000 0.533 174 M N -1.279 118.528 119.600 0.345 0.000 2.694 174 M HA 0.566 5.046 4.480 -0.000 0.000 0.276 174 M C -1.721 174.605 176.300 0.043 0.000 1.167 174 M CA -0.896 54.581 55.300 0.295 0.000 0.849 174 M CB 2.170 34.963 32.600 0.322 0.000 1.705 174 M HN -0.065 nan 8.290 nan 0.000 0.504 175 A N 1.944 124.603 122.820 -0.269 0.000 2.488 175 A HA 0.753 5.073 4.320 -0.000 0.000 0.249 175 A C -0.007 177.374 177.584 -0.339 0.000 1.083 175 A CA 0.401 52.015 52.037 -0.705 0.000 0.768 175 A CB -0.447 18.265 19.000 -0.480 0.000 1.017 175 A HN 1.893 nan 8.150 nan 0.000 0.496 176 A N 2.837 125.484 122.820 -0.289 0.000 2.560 176 A HA 0.520 4.839 4.320 -0.000 0.000 0.300 176 A C -0.188 177.324 177.584 -0.120 0.000 1.062 176 A CA -0.325 51.544 52.037 -0.280 0.000 0.767 176 A CB 0.261 19.166 19.000 -0.158 0.000 1.288 176 A HN 1.492 nan 8.150 nan 0.000 0.396 177 W N 1.597 122.900 121.300 0.005 0.000 3.132 177 W HA 0.529 5.189 4.660 -0.000 0.000 0.364 177 W C 0.038 176.583 176.519 0.043 0.000 1.129 177 W CA 0.268 57.625 57.345 0.020 0.000 1.815 177 W CB 0.126 29.604 29.460 0.030 0.000 1.099 177 W HN 0.800 nan 8.180 nan 0.000 0.605 178 S N 0.428 116.190 115.700 0.102 0.000 2.546 178 S HA 0.711 5.181 4.470 -0.000 0.000 0.272 178 S C -0.588 174.013 174.600 0.002 0.000 1.140 178 S CA -0.145 58.139 58.200 0.139 0.000 0.920 178 S CB 1.449 64.768 63.200 0.198 0.000 1.083 178 S HN 0.263 nan 8.310 nan 0.000 0.476 179 G N 1.177 110.004 108.800 0.046 0.000 2.642 179 G HA2 0.789 4.749 3.960 -0.000 0.000 0.293 179 G HA3 0.789 4.749 3.960 -0.000 0.000 0.293 179 G C -1.183 173.644 174.900 -0.123 0.000 1.341 179 G CA -0.502 44.620 45.100 0.037 0.000 0.916 179 G HN 0.942 nan 8.290 nan 0.000 0.474 180 S N -1.699 113.918 115.700 -0.137 0.000 2.615 180 S HA 0.880 5.350 4.470 -0.000 0.000 0.268 180 S C -1.320 173.194 174.600 -0.143 0.000 1.146 180 S CA 0.334 58.299 58.200 -0.392 0.000 0.818 180 S CB 1.434 64.444 63.200 -0.317 0.000 1.111 180 S HN 2.337 nan 8.310 nan 0.000 0.465 181 A N 0.660 123.385 122.820 -0.159 0.000 2.594 181 A HA 0.775 5.095 4.320 -0.000 0.000 0.296 181 A C -0.878 176.753 177.584 0.079 0.000 1.056 181 A CA -0.181 51.780 52.037 -0.128 0.000 0.693 181 A CB 0.315 18.903 19.000 -0.688 0.000 1.278 181 A HN 2.147 nan 8.150 nan 0.000 0.408 182 c N -0.331 118.364 118.600 0.158 0.000 3.307 182 c HA 0.845 5.414 4.570 -0.000 0.000 0.333 182 c C -0.726 173.394 174.090 0.050 0.000 1.291 182 c CA -0.812 55.635 56.329 0.197 0.000 1.273 182 c CB 0.565 43.140 42.510 0.108 0.000 1.580 182 c HN 1.273 nan 8.230 nan 0.000 0.481 183 H N 0.500 119.392 119.070 -0.297 0.000 2.457 183 H HA 0.557 5.112 4.556 -0.000 0.000 0.335 183 H C 0.421 175.606 175.328 -0.237 0.000 1.115 183 H CA 0.264 55.965 56.048 -0.580 0.000 1.219 183 H CB 1.465 30.579 29.762 -1.079 0.000 1.471 183 H HN 0.847 nan 8.280 nan 0.000 0.491 184 D N 2.008 122.227 120.400 -0.300 0.000 2.369 184 D HA 0.169 4.809 4.640 -0.000 0.000 0.211 184 D C 1.466 177.833 176.300 0.111 0.000 1.077 184 D CA 0.548 54.541 54.000 -0.013 0.000 0.842 184 D CB 0.579 41.436 40.800 0.096 0.000 0.947 184 D HN 0.815 nan 8.370 nan 0.000 0.509 185 G N 0.482 109.344 108.800 0.103 0.000 2.284 185 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 185 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 185 G C 1.180 176.096 174.900 0.028 0.000 1.009 185 G CA 0.231 45.411 45.100 0.134 0.000 0.625 185 G HN 0.384 nan 8.290 nan 0.000 0.501 186 K N -0.290 120.027 120.400 -0.139 0.000 2.367 186 K HA 0.428 4.748 4.320 -0.000 0.000 0.198 186 K C 0.523 176.944 176.600 -0.299 0.000 1.132 186 K CA 0.874 57.048 56.287 -0.188 0.000 0.941 186 K CB 0.779 33.130 32.500 -0.248 0.000 1.052 186 K HN 0.269 nan 8.250 nan 0.000 0.507 187 E N -0.775 119.044 120.200 -0.635 0.000 2.407 187 E HA 0.190 4.540 4.350 -0.000 0.000 0.279 187 E C -1.947 174.075 176.600 -0.964 0.000 1.012 187 E CA -0.704 55.265 56.400 -0.719 0.000 0.800 187 E CB 0.605 29.818 29.700 -0.812 0.000 1.276 187 E HN -0.004 nan 8.360 nan 0.000 0.452 188 W N 1.715 122.670 121.300 -0.574 0.000 2.266 188 W HA 0.376 5.036 4.660 -0.000 0.000 0.317 188 W C 0.054 176.182 176.519 -0.652 0.000 1.310 188 W CA -0.107 56.908 57.345 -0.549 0.000 1.207 188 W CB 1.370 30.487 29.460 -0.571 0.000 1.199 188 W HN 0.186 nan 8.180 nan 0.000 0.544 189 T N 4.043 118.478 114.554 -0.198 0.000 2.767 189 T HA 0.319 4.669 4.350 -0.000 0.000 0.288 189 T C -1.079 173.443 174.700 -0.298 0.000 0.963 189 T CA -0.353 61.688 62.100 -0.098 0.000 1.019 189 T CB 0.225 69.124 68.868 0.052 0.000 0.923 189 T HN 0.047 nan 8.240 nan 0.000 0.468 190 Y N 2.178 122.515 120.300 0.062 0.000 2.393 190 Y HA 0.649 5.199 4.550 -0.000 0.000 0.341 190 Y C 0.047 175.929 175.900 -0.029 0.000 0.988 190 Y CA -1.355 56.716 58.100 -0.049 0.000 1.078 190 Y CB 1.064 39.447 38.460 -0.128 0.000 1.203 190 Y HN 0.477 nan 8.280 nan 0.000 0.453 191 I N 2.406 123.031 120.570 0.092 0.000 2.447 191 I HA 0.687 4.857 4.170 -0.000 0.000 0.287 191 I C 0.002 176.124 176.117 0.009 0.000 1.023 191 I CA -0.426 60.892 61.300 0.030 0.000 1.083 191 I CB 2.085 40.065 38.000 -0.034 0.000 1.245 191 I HN 0.793 nan 8.210 nan 0.000 0.434 192 G N 5.351 114.144 108.800 -0.011 0.000 2.687 192 G HA2 0.639 4.599 3.960 -0.000 0.000 0.301 192 G HA3 0.639 4.599 3.960 -0.000 0.000 0.301 192 G C -1.408 173.376 174.900 -0.194 0.000 1.416 192 G CA -0.442 44.610 45.100 -0.080 0.000 1.005 192 G HN 0.289 nan 8.290 nan 0.000 0.509 193 V N 3.395 123.097 119.914 -0.354 0.000 2.398 193 V HA 0.566 4.686 4.120 -0.000 0.000 0.286 193 V C -0.496 174.903 176.094 -1.158 0.000 1.026 193 V CA -0.633 61.310 62.300 -0.595 0.000 0.868 193 V CB 1.208 32.682 31.823 -0.581 0.000 0.982 193 V HN 0.957 nan 8.190 nan 0.000 0.443 194 D N 2.944 122.803 120.400 -0.902 0.000 2.801 194 D HA 0.808 5.448 4.640 -0.000 0.000 0.277 194 D C 0.076 176.247 176.300 -0.215 0.000 1.125 194 D CA -0.015 53.420 54.000 -0.941 0.000 1.102 194 D CB 1.865 42.390 40.800 -0.459 0.000 1.400 194 D HN 1.125 nan 8.370 nan 0.000 0.601 195 G N -0.713 108.220 108.800 0.221 0.000 2.541 195 G HA2 0.096 4.056 3.960 -0.000 0.000 0.686 195 G HA3 0.096 4.056 3.960 -0.000 0.000 0.686 195 G C -2.913 172.224 174.900 0.395 0.000 1.286 195 G CA -0.534 44.721 45.100 0.259 0.000 0.894 195 G HN 0.651 nan 8.290 nan 0.000 0.575 196 P HA 0.210 nan 4.420 nan 0.000 0.269 196 P C 0.958 178.345 177.300 0.145 0.000 1.215 196 P CA 0.099 63.287 63.100 0.146 0.000 0.780 196 P CB 0.690 32.446 31.700 0.093 0.000 0.898 197 E N 1.705 121.930 120.200 0.041 0.000 2.086 197 E HA -0.265 4.085 4.350 -0.000 0.000 0.200 197 E C 1.403 178.027 176.600 0.040 0.000 1.012 197 E CA 2.197 58.594 56.400 -0.006 0.000 0.812 197 E CB -0.403 29.268 29.700 -0.048 0.000 0.743 197 E HN 0.688 nan 8.360 nan 0.000 0.453 198 N N -0.487 118.236 118.700 0.040 0.000 2.398 198 N HA -0.072 4.668 4.740 -0.000 0.000 0.188 198 N C 0.679 176.218 175.510 0.049 0.000 1.122 198 N CA 0.299 53.369 53.050 0.033 0.000 0.866 198 N CB 0.347 38.847 38.487 0.022 0.000 0.970 198 N HN -0.086 nan 8.380 nan 0.000 0.462 199 N N 0.160 118.909 118.700 0.081 0.000 2.570 199 N HA 0.202 4.942 4.740 -0.000 0.000 0.261 199 N C -1.186 174.399 175.510 0.125 0.000 1.540 199 N CA -0.230 52.875 53.050 0.092 0.000 0.959 199 N CB 0.551 39.085 38.487 0.078 0.000 1.449 199 N HN 0.360 nan 8.380 nan 0.000 0.519 200 A N 0.369 123.286 122.820 0.162 0.000 2.429 200 A HA 0.488 4.808 4.320 -0.000 0.000 0.242 200 A C -0.281 177.344 177.584 0.068 0.000 1.088 200 A CA 0.101 52.256 52.037 0.196 0.000 0.784 200 A CB 0.327 19.555 19.000 0.381 0.000 1.038 200 A HN 0.429 nan 8.150 nan 0.000 0.501 201 L N 0.710 121.910 121.223 -0.038 0.000 2.439 201 L HA 0.575 4.915 4.340 -0.000 0.000 0.270 201 L C -0.884 175.893 176.870 -0.155 0.000 0.972 201 L CA -0.303 54.472 54.840 -0.109 0.000 0.836 201 L CB 1.717 43.703 42.059 -0.122 0.000 1.255 201 L HN 0.727 nan 8.230 nan 0.000 0.404 202 L N 5.048 126.215 121.223 -0.093 0.000 2.276 202 L HA 0.537 4.877 4.340 -0.000 0.000 0.286 202 L C -0.845 175.994 176.870 -0.053 0.000 1.061 202 L CA -0.230 54.565 54.840 -0.075 0.000 0.807 202 L CB 0.519 42.578 42.059 0.001 0.000 1.177 202 L HN 0.644 nan 8.230 nan 0.000 0.429 203 K N 6.196 126.569 120.400 -0.045 0.000 2.270 203 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 203 K C -1.241 175.402 176.600 0.071 0.000 0.936 203 K CA -0.542 55.757 56.287 0.020 0.000 0.809 203 K CB 2.423 34.944 32.500 0.035 0.000 1.131 203 K HN 0.509 nan 8.250 nan 0.000 0.427 204 I N 2.217 122.849 120.570 0.104 0.000 2.404 204 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 204 I C -0.479 175.735 176.117 0.160 0.000 0.992 204 I CA -0.719 60.647 61.300 0.110 0.000 1.149 204 I CB 1.708 39.744 38.000 0.060 0.000 1.315 204 I HN 0.421 nan 8.210 nan 0.000 0.446 205 K N 5.433 125.931 120.400 0.163 0.000 2.426 205 K HA 0.379 4.699 4.320 -0.000 0.000 0.254 205 K C -1.867 174.869 176.600 0.226 0.000 0.936 205 K CA -0.641 55.707 56.287 0.100 0.000 0.801 205 K CB 1.582 34.056 32.500 -0.043 0.000 1.139 205 K HN 0.476 nan 8.250 nan 0.000 0.424 206 Y N 4.438 124.755 120.300 0.028 0.000 2.402 206 Y HA 0.332 4.882 4.550 -0.000 0.000 0.332 206 Y C 0.700 176.645 175.900 0.075 0.000 0.960 206 Y CA 0.701 58.820 58.100 0.031 0.000 1.228 206 Y CB 0.998 39.465 38.460 0.011 0.000 1.120 206 Y HN 1.013 nan 8.280 nan 0.000 0.491 207 G N 4.872 113.590 108.800 -0.137 0.000 2.620 207 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.315 207 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.315 207 G C 0.926 175.914 174.900 0.146 0.000 1.179 207 G CA 0.897 46.019 45.100 0.036 0.000 0.971 207 G HN 0.524 nan 8.290 nan 0.000 0.544 208 E N 1.420 121.647 120.200 0.046 0.000 2.415 208 E HA 0.449 4.799 4.350 -0.000 0.000 0.197 208 E C 1.392 177.923 176.600 -0.114 0.000 1.007 208 E CA 0.744 57.136 56.400 -0.013 0.000 0.890 208 E CB 0.336 30.048 29.700 0.020 0.000 0.891 208 E HN 0.913 nan 8.360 nan 0.000 0.496 209 A N 1.211 124.001 122.820 -0.049 0.000 2.320 209 A HA 0.367 4.687 4.320 -0.000 0.000 0.287 209 A C -0.881 176.642 177.584 -0.100 0.000 1.181 209 A CA -0.395 51.627 52.037 -0.025 0.000 0.831 209 A CB -0.153 18.899 19.000 0.087 0.000 1.102 209 A HN -0.018 nan 8.150 nan 0.000 0.513 210 Y N 2.117 122.491 120.300 0.123 0.000 2.537 210 Y HA 0.211 4.761 4.550 -0.000 0.000 0.339 210 Y C 1.771 177.726 175.900 0.090 0.000 1.066 210 Y CA 0.869 59.032 58.100 0.105 0.000 1.357 210 Y CB 0.720 39.225 38.460 0.076 0.000 1.175 210 Y HN 0.807 nan 8.280 nan 0.000 0.525 211 T N -2.336 112.328 114.554 0.183 0.000 2.999 211 T HA 0.223 4.573 4.350 -0.000 0.000 0.247 211 T C 0.023 174.775 174.700 0.086 0.000 1.012 211 T CA 0.198 62.368 62.100 0.117 0.000 1.048 211 T CB 0.530 69.448 68.868 0.082 0.000 1.020 211 T HN 0.444 nan 8.240 nan 0.000 0.478 212 D N 0.467 120.921 120.400 0.090 0.000 2.639 212 D HA 0.529 5.169 4.640 -0.000 0.000 0.271 212 D C -1.416 174.917 176.300 0.056 0.000 1.254 212 D CA -0.112 53.925 54.000 0.061 0.000 0.810 212 D CB 2.266 43.089 40.800 0.038 0.000 1.351 212 D HN 0.361 nan 8.370 nan 0.000 0.427 213 T N -1.855 112.718 114.554 0.032 0.000 2.883 213 T HA 0.640 4.990 4.350 -0.000 0.000 0.301 213 T C -1.515 173.189 174.700 0.006 0.000 1.158 213 T CA -0.668 61.419 62.100 -0.021 0.000 1.007 213 T CB 1.427 70.215 68.868 -0.134 0.000 1.186 213 T HN 0.313 nan 8.240 nan 0.000 0.499 214 Y N 0.848 121.053 120.300 -0.158 0.000 2.462 214 Y HA 0.554 5.104 4.550 -0.000 0.000 0.346 214 Y C -0.161 175.641 175.900 -0.163 0.000 0.976 214 Y CA -0.772 57.270 58.100 -0.096 0.000 1.044 214 Y CB 1.659 40.110 38.460 -0.015 0.000 1.230 214 Y HN 0.794 nan 8.280 nan 0.000 0.455 215 H N 2.020 120.871 119.070 -0.366 0.000 2.502 215 H HA 0.213 4.769 4.556 -0.000 0.000 0.338 215 H C -0.413 174.906 175.328 -0.015 0.000 1.155 215 H CA -0.571 55.389 56.048 -0.146 0.000 1.237 215 H CB 2.158 31.817 29.762 -0.171 0.000 1.534 215 H HN 0.578 nan 8.280 nan 0.000 0.523 216 S N 1.700 117.493 115.700 0.156 0.000 2.544 216 S HA -0.063 4.407 4.470 -0.000 0.000 0.290 216 S C 0.731 175.394 174.600 0.104 0.000 1.276 216 S CA -0.065 58.184 58.200 0.080 0.000 1.075 216 S CB -0.209 63.022 63.200 0.053 0.000 0.849 216 S HN 0.615 nan 8.310 nan 0.000 0.494 217 Y N 2.917 123.293 120.300 0.126 0.000 2.462 217 Y HA 0.640 5.190 4.550 -0.000 0.000 0.253 217 Y C 1.342 177.290 175.900 0.081 0.000 1.095 217 Y CA 0.153 58.315 58.100 0.104 0.000 1.283 217 Y CB -0.271 38.287 38.460 0.163 0.000 1.138 217 Y HN 0.591 nan 8.280 nan 0.000 0.522 218 A N 0.250 122.938 122.820 -0.220 0.000 2.469 218 A HA 0.247 4.567 4.320 -0.000 0.000 0.245 218 A C 0.523 178.069 177.584 -0.063 0.000 1.221 218 A CA 0.137 52.117 52.037 -0.096 0.000 0.946 218 A CB -0.504 18.395 19.000 -0.169 0.000 1.049 218 A HN 0.449 nan 8.150 nan 0.000 0.529 219 N N -0.213 118.447 118.700 -0.067 0.000 2.741 219 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 219 N C -0.458 175.042 175.510 -0.016 0.000 1.115 219 N CA 1.103 54.142 53.050 -0.019 0.000 0.724 219 N CB -1.103 37.388 38.487 0.005 0.000 1.090 219 N HN 0.439 nan 8.380 nan 0.000 0.558 220 N N 0.831 119.508 118.700 -0.039 0.000 2.710 220 N HA 0.301 5.041 4.740 -0.000 0.000 0.244 220 N C -0.898 174.600 175.510 -0.019 0.000 1.321 220 N CA -0.404 52.633 53.050 -0.022 0.000 0.758 220 N CB 0.071 38.547 38.487 -0.019 0.000 1.284 220 N HN 0.269 nan 8.380 nan 0.000 0.530 221 I N 0.762 121.342 120.570 0.017 0.000 7.356 221 I HA -0.322 3.848 4.170 -0.000 0.000 0.126 221 I C -0.085 176.101 176.117 0.115 0.000 1.829 221 I CA -0.081 61.264 61.300 0.074 0.000 2.068 221 I CB -0.802 37.186 38.000 -0.020 0.000 3.620 221 I HN 0.340 nan 8.210 nan 0.000 0.179 222 L N 5.080 126.379 121.223 0.127 0.000 2.601 222 L HA 0.209 4.548 4.340 -0.000 0.000 0.277 222 L C 0.674 177.663 176.870 0.198 0.000 1.219 222 L CA 1.347 56.239 54.840 0.087 0.000 0.915 222 L CB 0.193 42.297 42.059 0.074 0.000 1.160 222 L HN 0.421 nan 8.230 nan 0.000 0.494 223 R N 2.233 122.802 120.500 0.115 0.000 2.774 223 R HA 0.650 4.990 4.340 -0.000 0.000 0.272 223 R C -0.755 175.566 176.300 0.036 0.000 1.000 223 R CA -0.463 55.721 56.100 0.140 0.000 0.906 223 R CB 2.092 32.469 30.300 0.127 0.000 1.227 223 R HN 0.742 nan 8.270 nan 0.000 0.468 224 T N -1.054 113.510 114.554 0.017 0.000 2.676 224 T HA 0.177 4.527 4.350 -0.000 0.000 0.269 224 T C 0.465 175.127 174.700 -0.064 0.000 0.952 224 T CA -0.385 61.680 62.100 -0.058 0.000 1.040 224 T CB 1.497 70.308 68.868 -0.095 0.000 1.352 224 T HN 0.570 nan 8.240 nan 0.000 0.554 225 Q N 0.110 119.836 119.800 -0.124 0.000 2.170 225 Q HA -0.054 4.285 4.340 -0.000 0.000 0.203 225 Q C -0.063 175.862 176.000 -0.125 0.000 0.976 225 Q CA 1.229 56.955 55.803 -0.129 0.000 0.858 225 Q CB 0.011 28.653 28.738 -0.161 0.000 0.907 225 Q HN 0.622 nan 8.270 nan 0.000 0.433 226 E N -0.050 120.044 120.200 -0.177 0.000 2.722 226 E HA -0.184 4.166 4.350 -0.000 0.000 0.265 226 E C -0.446 175.912 176.600 -0.403 0.000 1.081 226 E CA 1.189 57.491 56.400 -0.163 0.000 0.781 226 E CB -2.201 27.588 29.700 0.148 0.000 1.372 226 E HN 0.473 nan 8.360 nan 0.000 0.423 227 S N -2.586 112.675 115.700 -0.731 0.000 2.672 227 S HA 0.751 5.220 4.470 -0.000 0.000 0.271 227 S C -0.310 173.842 174.600 -0.747 0.000 1.171 227 S CA -0.614 57.145 58.200 -0.735 0.000 0.817 227 S CB 1.800 64.964 63.200 -0.060 0.000 1.150 227 S HN 0.641 nan 8.310 nan 0.000 0.478 228 A N 0.686 123.357 122.820 -0.249 0.000 2.540 228 A HA 0.479 4.799 4.320 -0.000 0.000 0.239 228 A C 1.002 178.574 177.584 -0.021 0.000 1.061 228 A CA -0.086 51.937 52.037 -0.023 0.000 0.758 228 A CB -1.480 17.679 19.000 0.265 0.000 0.991 228 A HN 1.623 nan 8.150 nan 0.000 0.502 229 c N 1.909 120.496 118.600 -0.022 0.000 2.560 229 c HA 0.569 5.139 4.570 -0.000 0.000 0.334 229 c C 0.264 174.402 174.090 0.079 0.000 1.404 229 c CA -1.292 55.046 56.329 0.014 0.000 2.410 229 c CB -0.045 42.460 42.510 -0.008 0.000 2.268 229 c HN 0.791 nan 8.230 nan 0.000 0.673 230 N N -0.300 118.451 118.700 0.086 0.000 2.430 230 N HA 0.411 5.151 4.740 -0.000 0.000 0.290 230 N C -1.594 174.090 175.510 0.289 0.000 1.063 230 N CA -0.131 53.006 53.050 0.144 0.000 0.883 230 N CB 1.775 40.135 38.487 -0.212 0.000 1.465 230 N HN 0.753 nan 8.380 nan 0.000 0.493 231 c N 2.512 121.330 118.600 0.363 0.000 2.382 231 c HA 0.682 5.252 4.570 -0.000 0.000 0.327 231 c C 0.464 174.669 174.090 0.192 0.000 1.250 231 c CA -0.811 55.656 56.329 0.229 0.000 1.707 231 c CB 0.141 42.683 42.510 0.055 0.000 2.272 231 c HN 0.705 nan 8.230 nan 0.000 0.506 232 I N 1.801 122.416 120.570 0.075 0.000 2.548 232 I HA 0.568 4.738 4.170 -0.000 0.000 0.287 232 I C 0.723 176.629 176.117 -0.351 0.000 1.103 232 I CA 0.546 61.733 61.300 -0.188 0.000 1.049 232 I CB 1.240 39.242 38.000 0.004 0.000 1.232 232 I HN 0.963 nan 8.210 nan 0.000 0.429 233 G N 4.600 112.930 108.800 -0.784 0.000 2.258 233 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.274 233 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.274 233 G C 1.061 175.345 174.900 -1.027 0.000 1.021 233 G CA 0.606 45.297 45.100 -0.681 0.000 0.798 233 G HN 2.076 nan 8.290 nan 0.000 0.507 234 G N -1.521 106.669 108.800 -1.017 0.000 2.213 234 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 234 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 234 G C 0.131 174.579 174.900 -0.753 0.000 0.991 234 G CA 0.372 44.580 45.100 -1.487 0.000 0.629 234 G HN 1.060 nan 8.290 nan 0.000 0.517 235 N N 0.829 119.228 118.700 -0.500 0.000 2.420 235 N HA 0.466 5.206 4.740 -0.000 0.000 0.249 235 N C -0.174 175.180 175.510 -0.260 0.000 1.033 235 N CA 0.112 52.931 53.050 -0.385 0.000 0.944 235 N CB 1.004 39.312 38.487 -0.298 0.000 1.113 235 N HN 0.290 nan 8.380 nan 0.000 0.502 236 c N 3.125 121.543 118.600 -0.302 0.000 2.307 236 c HA 0.411 4.981 4.570 -0.000 0.000 0.340 236 c C 0.073 174.003 174.090 -0.267 0.000 1.275 236 c CA -0.779 55.459 56.329 -0.151 0.000 1.811 236 c CB -1.402 41.045 42.510 -0.105 0.000 2.372 236 c HN 0.543 nan 8.230 nan 0.000 0.531 237 Y N 2.664 122.945 120.300 -0.033 0.000 2.361 237 Y HA 0.702 5.252 4.550 -0.000 0.000 0.332 237 Y C 0.018 175.942 175.900 0.040 0.000 1.101 237 Y CA -0.736 57.361 58.100 -0.005 0.000 1.137 237 Y CB 1.146 39.575 38.460 -0.051 0.000 1.207 237 Y HN 0.549 nan 8.280 nan 0.000 0.463 238 L N 4.527 125.872 121.223 0.203 0.000 2.482 238 L HA 0.498 4.838 4.340 -0.000 0.000 0.263 238 L C -1.283 175.504 176.870 -0.138 0.000 0.957 238 L CA -0.824 54.037 54.840 0.035 0.000 0.836 238 L CB 1.938 43.950 42.059 -0.078 0.000 1.324 238 L HN 0.727 nan 8.230 nan 0.000 0.406 239 M N 6.167 125.529 119.600 -0.397 0.000 2.249 239 M HA 0.573 5.053 4.480 -0.000 0.000 0.351 239 M C -1.089 174.924 176.300 -0.478 0.000 1.180 239 M CA -0.456 54.276 55.300 -0.948 0.000 1.127 239 M CB 0.864 32.968 32.600 -0.827 0.000 1.546 239 M HN 0.711 nan 8.290 nan 0.000 0.461 240 I N 0.785 121.099 120.570 -0.428 0.000 2.769 240 I HA 0.724 4.893 4.170 -0.000 0.000 0.298 240 I C -0.993 175.082 176.117 -0.069 0.000 1.128 240 I CA -0.532 60.658 61.300 -0.184 0.000 1.031 240 I CB 2.523 40.440 38.000 -0.137 0.000 1.235 240 I HN 0.608 nan 8.210 nan 0.000 0.423 241 T N 1.727 116.286 114.554 0.008 0.000 2.864 241 T HA 0.521 4.871 4.350 -0.000 0.000 0.299 241 T C -2.025 172.653 174.700 -0.037 0.000 1.166 241 T CA -0.222 61.910 62.100 0.054 0.000 1.007 241 T CB 1.878 70.728 68.868 -0.030 0.000 1.219 241 T HN 0.881 nan 8.240 nan 0.000 0.506 242 D N -0.367 119.950 120.400 -0.139 0.000 2.803 242 D HA 0.636 5.276 4.640 -0.000 0.000 0.218 242 D C -0.452 175.735 176.300 -0.188 0.000 1.245 242 D CA 0.767 54.584 54.000 -0.304 0.000 0.821 242 D CB 1.838 42.094 40.800 -0.906 0.000 1.626 242 D HN 1.092 nan 8.370 nan 0.000 0.487 243 G N 0.635 109.365 108.800 -0.116 0.000 2.339 243 G HA2 0.274 4.234 3.960 -0.000 0.000 0.381 243 G HA3 0.274 4.234 3.960 -0.000 0.000 0.381 243 G C -0.819 174.078 174.900 -0.006 0.000 1.400 243 G CA -0.267 44.803 45.100 -0.051 0.000 1.002 243 G HN 0.471 nan 8.290 nan 0.000 0.633 244 S N -0.288 115.432 115.700 0.033 0.000 2.546 244 S HA 0.421 4.891 4.470 -0.000 0.000 0.290 244 S C 1.856 176.533 174.600 0.127 0.000 1.290 244 S CA 0.997 59.230 58.200 0.056 0.000 1.069 244 S CB 0.682 63.914 63.200 0.054 0.000 0.846 244 S HN 2.097 nan 8.310 nan 0.000 0.495 245 A N 4.295 127.171 122.820 0.094 0.000 2.070 245 A HA 0.010 4.329 4.320 -0.000 0.000 0.220 245 A C 1.994 179.581 177.584 0.004 0.000 1.159 245 A CA 1.650 53.754 52.037 0.113 0.000 0.656 245 A CB -0.346 18.682 19.000 0.045 0.000 0.800 245 A HN 0.772 nan 8.150 nan 0.000 0.453 246 S N -1.488 114.192 115.700 -0.033 0.000 2.539 246 S HA 0.432 4.902 4.470 -0.000 0.000 0.221 246 S C 0.869 175.377 174.600 -0.153 0.000 0.987 246 S CA 0.172 58.292 58.200 -0.133 0.000 0.929 246 S CB 0.548 63.697 63.200 -0.085 0.000 0.832 246 S HN 0.788 nan 8.310 nan 0.000 0.492 247 G N 1.011 109.804 108.800 -0.012 0.000 3.214 247 G HA2 0.534 4.494 3.960 -0.000 0.000 0.188 247 G HA3 0.534 4.494 3.960 -0.000 0.000 0.188 247 G C -0.926 174.169 174.900 0.326 0.000 1.126 247 G CA -0.716 44.452 45.100 0.112 0.000 0.796 247 G HN 0.133 nan 8.290 nan 0.000 0.631 248 I N 1.839 122.588 120.570 0.299 0.000 2.533 248 I HA 0.272 4.442 4.170 -0.000 0.000 0.284 248 I C -0.147 176.028 176.117 0.097 0.000 1.109 248 I CA 0.393 61.848 61.300 0.258 0.000 1.412 248 I CB 0.483 38.580 38.000 0.160 0.000 1.396 248 I HN 0.070 nan 8.210 nan 0.000 0.543 249 S N 5.746 121.393 115.700 -0.088 0.000 2.395 249 S HA 0.180 4.650 4.470 -0.000 0.000 0.207 249 S C -0.024 174.499 174.600 -0.128 0.000 1.454 249 S CA -0.702 57.343 58.200 -0.259 0.000 1.211 249 S CB 0.586 63.394 63.200 -0.654 0.000 1.093 249 S HN 0.579 nan 8.310 nan 0.000 0.472 250 E N 2.500 122.727 120.200 0.046 0.000 2.166 250 E HA 0.221 4.571 4.350 -0.000 0.000 0.279 250 E C 0.553 177.261 176.600 0.181 0.000 1.095 250 E CA -0.531 55.936 56.400 0.113 0.000 0.888 250 E CB 0.243 30.029 29.700 0.143 0.000 1.041 250 E HN 0.769 nan 8.360 nan 0.000 0.414 251 C N 3.618 122.981 119.300 0.105 0.000 2.480 251 C HA 0.635 5.095 4.460 -0.000 0.000 0.358 251 C C 0.108 175.132 174.990 0.056 0.000 1.309 251 C CA -0.721 58.341 59.018 0.074 0.000 2.465 251 C CB 0.327 28.046 27.740 -0.036 0.000 2.379 251 C HN 0.829 nan 8.230 nan 0.000 0.642 252 R N -0.073 120.385 120.500 -0.069 0.000 2.774 252 R HA 0.641 4.980 4.340 -0.000 0.000 0.272 252 R C -1.730 174.394 176.300 -0.294 0.000 1.000 252 R CA -0.397 55.634 56.100 -0.115 0.000 0.906 252 R CB 1.691 31.855 30.300 -0.227 0.000 1.227 252 R HN 0.740 nan 8.270 nan 0.000 0.468 253 F N 1.423 121.274 119.950 -0.165 0.000 2.480 253 F HA 0.477 5.004 4.527 -0.000 0.000 0.329 253 F C -0.077 175.585 175.800 -0.230 0.000 1.091 253 F CA -0.721 57.191 58.000 -0.146 0.000 0.972 253 F CB 1.428 40.395 39.000 -0.055 0.000 1.150 253 F HN 0.027 nan 8.300 nan 0.000 0.467 254 L N 3.510 124.685 121.223 -0.080 0.000 2.307 254 L HA 0.435 4.774 4.340 -0.000 0.000 0.284 254 L C -0.256 176.512 176.870 -0.169 0.000 1.023 254 L CA -0.830 53.894 54.840 -0.194 0.000 0.810 254 L CB 1.745 43.632 42.059 -0.287 0.000 1.231 254 L HN 0.523 nan 8.230 nan 0.000 0.423 255 K N 4.810 125.056 120.400 -0.256 0.000 2.253 255 K HA 0.557 4.877 4.320 -0.000 0.000 0.277 255 K C -1.065 175.324 176.600 -0.352 0.000 1.053 255 K CA -0.409 55.594 56.287 -0.474 0.000 0.892 255 K CB 0.745 32.961 32.500 -0.472 0.000 1.102 255 K HN 0.499 nan 8.250 nan 0.000 0.469 256 I N 4.208 124.561 120.570 -0.363 0.000 2.406 256 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 256 I C -0.293 175.643 176.117 -0.303 0.000 0.999 256 I CA -0.827 60.315 61.300 -0.263 0.000 1.124 256 I CB 1.898 39.782 38.000 -0.194 0.000 1.289 256 I HN 0.457 nan 8.210 nan 0.000 0.441 257 R N 5.433 125.757 120.500 -0.294 0.000 2.476 257 R HA 0.322 4.662 4.340 -0.000 0.000 0.305 257 R C -0.515 175.552 176.300 -0.389 0.000 0.965 257 R CA -0.379 55.514 56.100 -0.344 0.000 0.867 257 R CB 1.037 31.146 30.300 -0.319 0.000 1.176 257 R HN 0.692 nan 8.270 nan 0.000 0.447 258 E N 2.718 122.587 120.200 -0.551 0.000 2.238 258 E HA -0.273 4.077 4.350 -0.000 0.000 0.219 258 E C 0.467 176.425 176.600 -1.070 0.000 1.275 258 E CA 0.822 56.560 56.400 -1.103 0.000 0.714 258 E CB -1.095 28.290 29.700 -0.527 0.000 1.154 258 E HN 1.158 nan 8.360 nan 0.000 0.363 259 G N -0.044 108.327 108.800 -0.715 0.000 2.184 259 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.264 259 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.264 259 G C 0.173 174.984 174.900 -0.149 0.000 0.975 259 G CA 0.594 45.534 45.100 -0.267 0.000 0.642 259 G HN 0.319 nan 8.290 nan 0.000 0.536 260 R N -0.485 119.903 120.500 -0.188 0.000 2.599 260 R HA 0.594 4.934 4.340 -0.000 0.000 0.295 260 R C 0.292 176.523 176.300 -0.116 0.000 0.963 260 R CA -1.018 55.017 56.100 -0.108 0.000 0.883 260 R CB 1.443 31.691 30.300 -0.087 0.000 1.171 260 R HN 0.229 nan 8.270 nan 0.000 0.450 261 I N 4.978 125.507 120.570 -0.068 0.000 2.517 261 I HA -0.008 4.161 4.170 -0.000 0.000 0.285 261 I C 1.457 177.532 176.117 -0.071 0.000 1.106 261 I CA 0.452 61.708 61.300 -0.073 0.000 1.402 261 I CB 0.466 38.466 38.000 -0.001 0.000 1.399 261 I HN 0.693 nan 8.210 nan 0.000 0.535 262 I N 2.548 123.050 120.570 -0.113 0.000 4.139 262 I HA 0.388 4.558 4.170 -0.000 0.000 0.335 262 I C 0.444 176.512 176.117 -0.083 0.000 1.327 262 I CA -0.036 61.207 61.300 -0.095 0.000 1.112 262 I CB 0.134 38.062 38.000 -0.121 0.000 1.058 262 I HN 0.454 nan 8.210 nan 0.000 0.396 263 K N 1.712 122.049 120.400 -0.103 0.000 2.569 263 K HA 0.386 4.706 4.320 -0.000 0.000 0.259 263 K C -1.479 175.032 176.600 -0.149 0.000 0.932 263 K CA -0.415 55.810 56.287 -0.103 0.000 0.833 263 K CB 2.212 34.651 32.500 -0.100 0.000 1.340 263 K HN 0.108 nan 8.250 nan 0.000 0.429 264 E N 3.697 123.780 120.200 -0.196 0.000 2.151 264 E HA 0.351 4.701 4.350 -0.000 0.000 0.275 264 E C -0.696 175.543 176.600 -0.601 0.000 0.936 264 E CA -0.585 55.577 56.400 -0.396 0.000 0.777 264 E CB 1.779 31.215 29.700 -0.440 0.000 1.108 264 E HN 0.339 nan 8.360 nan 0.000 0.401 265 I N 3.741 124.016 120.570 -0.492 0.000 2.330 265 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 265 I C -0.833 175.039 176.117 -0.408 0.000 1.001 265 I CA -0.700 60.392 61.300 -0.346 0.000 1.193 265 I CB 0.448 38.414 38.000 -0.057 0.000 1.345 265 I HN 0.391 nan 8.210 nan 0.000 0.461 266 F N 7.197 127.173 119.950 0.042 0.000 2.413 266 F HA 0.412 4.939 4.527 -0.000 0.000 0.359 266 F C -1.888 173.945 175.800 0.055 0.000 1.122 266 F CA -2.585 55.433 58.000 0.030 0.000 1.160 266 F CB -0.312 38.688 39.000 0.000 0.000 1.146 266 F HN 0.241 nan 8.300 nan 0.000 0.514 267 P HA 0.195 nan 4.420 nan 0.000 0.272 267 P C -0.031 177.352 177.300 0.139 0.000 1.223 267 P CA -0.307 62.897 63.100 0.174 0.000 0.784 267 P CB 0.704 32.529 31.700 0.208 0.000 0.923 268 T N -1.853 112.761 114.554 0.100 0.000 2.937 268 T HA 0.715 5.065 4.350 -0.000 0.000 0.283 268 T C 0.559 175.273 174.700 0.024 0.000 1.012 268 T CA 0.029 62.164 62.100 0.059 0.000 0.997 268 T CB 1.362 70.258 68.868 0.046 0.000 1.136 268 T HN 0.744 nan 8.240 nan 0.000 0.551 269 G N 0.988 109.779 108.800 -0.016 0.000 2.545 269 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.240 269 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.240 269 G C -0.272 174.589 174.900 -0.064 0.000 1.172 269 G CA -0.209 44.848 45.100 -0.072 0.000 0.949 269 G HN 0.889 nan 8.290 nan 0.000 0.574 270 R N 1.624 122.069 120.500 -0.092 0.000 2.419 270 R HA 0.398 4.738 4.340 -0.000 0.000 0.305 270 R C 1.267 177.566 176.300 -0.002 0.000 1.242 270 R CA 0.733 56.794 56.100 -0.065 0.000 1.105 270 R CB -0.094 30.145 30.300 -0.101 0.000 1.116 270 R HN 1.277 nan 8.270 nan 0.000 0.523 271 V N 1.353 121.275 119.914 0.014 0.000 3.477 271 V HA 0.197 4.317 4.120 -0.000 0.000 0.297 271 V C 1.915 178.048 176.094 0.065 0.000 1.433 271 V CA -0.198 62.134 62.300 0.053 0.000 1.052 271 V CB 0.099 31.957 31.823 0.057 0.000 0.895 271 V HN 0.444 nan 8.190 nan 0.000 0.438 272 K N 1.024 121.451 120.400 0.046 0.000 2.052 272 K HA -0.225 4.095 4.320 -0.000 0.000 0.215 272 K C 0.620 177.363 176.600 0.238 0.000 1.053 272 K CA 2.354 58.679 56.287 0.063 0.000 0.934 272 K CB -0.144 32.303 32.500 -0.089 0.000 0.717 272 K HN 0.779 nan 8.250 nan 0.000 0.450 273 H N -1.135 118.039 119.070 0.174 0.000 3.224 273 H HA 0.228 4.784 4.556 -0.000 0.000 0.331 273 H C -1.866 173.536 175.328 0.123 0.000 1.002 273 H CA -0.539 55.621 56.048 0.186 0.000 1.473 273 H CB 1.579 31.495 29.762 0.256 0.000 1.830 273 H HN -0.056 nan 8.280 nan 0.000 0.485 274 T N 4.925 119.498 114.554 0.031 0.000 2.937 274 T HA 0.361 4.711 4.350 -0.000 0.000 0.297 274 T C -0.945 173.762 174.700 0.011 0.000 0.991 274 T CA -0.929 61.225 62.100 0.090 0.000 0.990 274 T CB 1.483 70.402 68.868 0.085 0.000 0.991 274 T HN 0.738 nan 8.240 nan 0.000 0.440 275 E N 1.090 121.338 120.200 0.080 0.000 2.449 275 E HA 0.506 4.856 4.350 -0.000 0.000 0.278 275 E C -1.102 175.512 176.600 0.023 0.000 0.992 275 E CA -1.242 55.179 56.400 0.035 0.000 0.807 275 E CB 1.050 30.794 29.700 0.075 0.000 1.350 275 E HN 0.481 nan 8.360 nan 0.000 0.462 276 E N -0.341 119.855 120.200 -0.006 0.000 2.165 276 E HA -0.227 4.123 4.350 -0.000 0.000 0.203 276 E C -0.668 175.921 176.600 -0.018 0.000 1.335 276 E CA 0.459 56.840 56.400 -0.033 0.000 0.708 276 E CB -1.886 27.762 29.700 -0.087 0.000 1.105 276 E HN 0.421 nan 8.360 nan 0.000 0.346 277 c N 1.070 119.665 118.600 -0.007 0.000 2.634 277 c HA 0.080 4.650 4.570 -0.000 0.000 0.418 277 c C 1.233 175.364 174.090 0.069 0.000 1.373 277 c CA 0.025 56.379 56.329 0.042 0.000 1.756 277 c CB -0.136 42.412 42.510 0.063 0.000 2.589 277 c HN 0.301 nan 8.230 nan 0.000 0.602 278 T N 3.838 118.472 114.554 0.133 0.000 2.743 278 T HA 0.390 4.740 4.350 -0.000 0.000 0.292 278 T C -0.112 174.746 174.700 0.265 0.000 0.972 278 T CA -0.288 61.932 62.100 0.201 0.000 0.967 278 T CB 0.261 69.293 68.868 0.274 0.000 0.926 278 T HN 0.785 nan 8.240 nan 0.000 0.459 279 c N 2.647 121.353 118.600 0.177 0.000 2.562 279 c HA 1.040 5.610 4.570 -0.000 0.000 0.332 279 c C 0.945 175.060 174.090 0.042 0.000 1.201 279 c CA -0.494 55.911 56.329 0.128 0.000 1.803 279 c CB 1.308 43.867 42.510 0.082 0.000 2.328 279 c HN 1.124 nan 8.230 nan 0.000 0.500 280 G N 0.062 108.857 108.800 -0.008 0.000 2.576 280 G HA2 0.611 4.571 3.960 -0.000 0.000 0.290 280 G HA3 0.611 4.571 3.960 -0.000 0.000 0.290 280 G C -1.706 173.110 174.900 -0.140 0.000 1.442 280 G CA -0.493 44.607 45.100 0.000 0.000 0.792 280 G HN 0.422 nan 8.290 nan 0.000 0.491 281 F N 1.318 121.239 119.950 -0.048 0.000 2.445 281 F HA 0.486 5.013 4.527 -0.000 0.000 0.359 281 F C 1.514 176.967 175.800 -0.577 0.000 1.101 281 F CA 0.359 58.231 58.000 -0.214 0.000 1.177 281 F CB 1.985 40.923 39.000 -0.102 0.000 1.110 281 F HN 0.595 nan 8.300 nan 0.000 0.522 282 A N 2.443 124.941 122.820 -0.537 0.000 1.970 282 A HA 0.191 4.511 4.320 -0.000 0.000 0.216 282 A C 0.877 178.362 177.584 -0.165 0.000 1.170 282 A CA 1.290 52.977 52.037 -0.584 0.000 0.645 282 A CB -0.252 18.549 19.000 -0.331 0.000 0.816 282 A HN 0.711 nan 8.150 nan 0.000 0.447 283 S N -3.158 112.518 115.700 -0.039 0.000 2.724 283 S HA 0.268 4.737 4.470 -0.000 0.000 0.278 283 S C -0.069 174.562 174.600 0.053 0.000 1.190 283 S CA -0.307 57.894 58.200 0.001 0.000 0.860 283 S CB 0.130 63.322 63.200 -0.013 0.000 1.206 283 S HN 0.033 nan 8.310 nan 0.000 0.507 284 N N 0.527 119.228 118.700 0.001 0.000 2.512 284 N HA 0.057 4.797 4.740 -0.000 0.000 0.183 284 N C 1.086 176.624 175.510 0.048 0.000 1.073 284 N CA 0.855 53.902 53.050 -0.004 0.000 0.911 284 N CB -0.208 38.261 38.487 -0.031 0.000 0.964 284 N HN 0.673 nan 8.380 nan 0.000 0.447 285 K N -0.597 119.822 120.400 0.032 0.000 2.335 285 K HA 0.100 4.420 4.320 -0.000 0.000 0.195 285 K C -0.372 176.211 176.600 -0.028 0.000 1.058 285 K CA 0.581 56.870 56.287 0.003 0.000 0.988 285 K CB 0.569 33.061 32.500 -0.013 0.000 0.880 285 K HN -0.119 nan 8.250 nan 0.000 0.513 286 T N 1.000 115.541 114.554 -0.021 0.000 2.848 286 T HA 0.454 4.804 4.350 -0.000 0.000 0.285 286 T C -0.570 174.039 174.700 -0.152 0.000 0.995 286 T CA -0.624 61.415 62.100 -0.102 0.000 0.970 286 T CB 1.972 70.783 68.868 -0.094 0.000 0.976 286 T HN 0.014 nan 8.240 nan 0.000 0.441 287 I N 2.669 123.058 120.570 -0.302 0.000 2.377 287 I HA 0.391 4.561 4.170 -0.000 0.000 0.293 287 I C 0.177 176.138 176.117 -0.261 0.000 0.987 287 I CA -0.634 60.419 61.300 -0.411 0.000 1.185 287 I CB 1.474 39.101 38.000 -0.621 0.000 1.341 287 I HN 0.570 nan 8.210 nan 0.000 0.455 288 E N 5.074 125.213 120.200 -0.101 0.000 2.238 288 E HA 0.572 4.922 4.350 -0.000 0.000 0.267 288 E C -1.546 175.077 176.600 0.038 0.000 0.887 288 E CA -0.731 55.638 56.400 -0.053 0.000 0.769 288 E CB 2.437 32.286 29.700 0.249 0.000 1.187 288 E HN 0.480 nan 8.360 nan 0.000 0.416 289 c N 1.662 120.087 118.600 -0.291 0.000 2.626 289 c HA 0.782 5.352 4.570 -0.000 0.000 0.310 289 c C -0.153 173.663 174.090 -0.457 0.000 1.191 289 c CA -0.724 55.545 56.329 -0.100 0.000 1.517 289 c CB 0.983 43.529 42.510 0.059 0.000 2.102 289 c HN 0.810 nan 8.230 nan 0.000 0.479 290 A N 1.676 124.358 122.820 -0.230 0.000 2.288 290 A HA 0.797 5.117 4.320 -0.000 0.000 0.320 290 A C -0.231 177.369 177.584 0.026 0.000 1.217 290 A CA -0.191 51.754 52.037 -0.152 0.000 0.840 290 A CB 0.224 19.112 19.000 -0.186 0.000 1.179 290 A HN 1.000 nan 8.150 nan 0.000 0.504 291 c N 0.672 119.302 118.600 0.050 0.000 3.017 291 c HA 0.823 5.393 4.570 -0.000 0.000 0.380 291 c C 0.339 174.464 174.090 0.059 0.000 1.583 291 c CA -0.791 55.575 56.329 0.062 0.000 1.616 291 c CB 1.409 43.967 42.510 0.079 0.000 2.145 291 c HN 0.954 nan 8.230 nan 0.000 0.466 292 R N 1.149 121.685 120.500 0.060 0.000 2.437 292 R HA 0.427 4.767 4.340 -0.000 0.000 0.310 292 R C -1.674 174.698 176.300 0.120 0.000 0.955 292 R CA -0.053 56.079 56.100 0.054 0.000 0.851 292 R CB 0.956 31.265 30.300 0.014 0.000 1.161 292 R HN 0.837 nan 8.270 nan 0.000 0.446 293 D N 3.107 123.546 120.400 0.065 0.000 2.392 293 D HA 0.084 4.724 4.640 -0.000 0.000 0.228 293 D C -0.289 175.881 176.300 -0.215 0.000 1.074 293 D CA -0.317 53.699 54.000 0.026 0.000 0.838 293 D CB 1.480 42.319 40.800 0.066 0.000 1.067 293 D HN 0.636 nan 8.370 nan 0.000 0.511 294 N N 1.668 120.034 118.700 -0.556 0.000 2.336 294 N HA 0.045 4.785 4.740 -0.000 0.000 0.189 294 N C 0.387 175.578 175.510 -0.532 0.000 1.113 294 N CA 0.331 53.115 53.050 -0.444 0.000 0.858 294 N CB 0.529 38.851 38.487 -0.275 0.000 0.970 294 N HN 0.160 nan 8.380 nan 0.000 0.471 295 S N -1.659 113.604 115.700 -0.727 0.000 3.056 295 S HA 0.181 4.651 4.470 -0.000 0.000 0.255 295 S C 0.582 174.776 174.600 -0.677 0.000 1.079 295 S CA -0.119 57.593 58.200 -0.813 0.000 0.810 295 S CB 0.035 62.440 63.200 -1.326 0.000 0.810 295 S HN 0.265 nan 8.310 nan 0.000 0.477 296 Y N 1.539 121.751 120.300 -0.147 0.000 2.558 296 Y HA 0.469 5.019 4.550 -0.000 0.000 0.273 296 Y C 1.177 177.017 175.900 -0.100 0.000 1.100 296 Y CA 0.206 58.251 58.100 -0.092 0.000 1.276 296 Y CB 0.233 38.661 38.460 -0.053 0.000 1.196 296 Y HN 0.195 nan 8.280 nan 0.000 0.527 297 T N -1.273 113.289 114.554 0.014 0.000 2.843 297 T HA 0.676 5.026 4.350 -0.000 0.000 0.302 297 T C 0.036 174.681 174.700 -0.090 0.000 1.232 297 T CA -0.122 61.949 62.100 -0.047 0.000 1.009 297 T CB 1.578 70.429 68.868 -0.029 0.000 1.254 297 T HN 0.001 nan 8.240 nan 0.000 0.504 298 A N 1.923 124.653 122.820 -0.150 0.000 2.348 298 A HA 0.398 4.717 4.320 -0.000 0.000 0.224 298 A C 0.678 178.203 177.584 -0.098 0.000 1.227 298 A CA 0.039 51.996 52.037 -0.132 0.000 0.885 298 A CB -0.120 18.780 19.000 -0.167 0.000 0.933 298 A HN 0.668 nan 8.150 nan 0.000 0.506 299 K N 1.048 121.379 120.400 -0.115 0.000 2.270 299 K HA 0.323 4.643 4.320 -0.000 0.000 0.276 299 K C -0.332 176.276 176.600 0.013 0.000 1.023 299 K CA -0.306 55.971 56.287 -0.017 0.000 0.955 299 K CB 0.809 33.297 32.500 -0.021 0.000 0.975 299 K HN 0.293 nan 8.250 nan 0.000 0.471 300 R N 2.963 123.482 120.500 0.032 0.000 2.340 300 R HA 0.157 4.497 4.340 -0.000 0.000 0.300 300 R C -2.346 174.027 176.300 0.122 0.000 1.069 300 R CA -1.950 54.187 56.100 0.062 0.000 0.984 300 R CB 0.251 30.582 30.300 0.051 0.000 1.003 300 R HN 0.329 nan 8.270 nan 0.000 0.459 301 P HA -0.082 nan 4.420 nan 0.000 0.265 301 P C -1.080 176.379 177.300 0.266 0.000 1.193 301 P CA 0.486 63.694 63.100 0.181 0.000 0.765 301 P CB 0.296 32.087 31.700 0.152 0.000 0.823 302 F N 4.272 124.346 119.950 0.206 0.000 2.460 302 F HA 0.369 4.896 4.527 -0.000 0.000 0.341 302 F C -0.761 175.282 175.800 0.404 0.000 1.130 302 F CA -0.769 57.384 58.000 0.255 0.000 0.962 302 F CB 1.106 40.267 39.000 0.268 0.000 1.171 302 F HN -0.036 nan 8.300 nan 0.000 0.436 303 V N 5.898 125.810 119.914 -0.002 0.000 2.481 303 V HA 0.400 4.520 4.120 -0.000 0.000 0.286 303 V C -0.492 175.583 176.094 -0.032 0.000 1.042 303 V CA -0.805 61.557 62.300 0.104 0.000 0.928 303 V CB 1.625 33.487 31.823 0.064 0.000 0.986 303 V HN 0.587 nan 8.190 nan 0.000 0.462 304 K N 4.912 125.379 120.400 0.111 0.000 2.450 304 K HA 0.564 4.884 4.320 -0.000 0.000 0.257 304 K C -1.288 175.248 176.600 -0.107 0.000 0.953 304 K CA -0.501 55.760 56.287 -0.045 0.000 0.844 304 K CB 2.215 34.651 32.500 -0.107 0.000 1.103 304 K HN 0.504 nan 8.250 nan 0.000 0.429 305 L N 3.589 124.661 121.223 -0.251 0.000 2.316 305 L HA 0.315 4.655 4.340 -0.000 0.000 0.280 305 L C -0.707 175.988 176.870 -0.293 0.000 1.006 305 L CA -0.735 53.893 54.840 -0.353 0.000 0.836 305 L CB 1.042 42.718 42.059 -0.639 0.000 1.221 305 L HN 0.590 nan 8.230 nan 0.000 0.418 306 N N 3.624 122.205 118.700 -0.198 0.000 2.411 306 N HA 0.043 4.783 4.740 -0.000 0.000 0.259 306 N C 0.748 176.139 175.510 -0.198 0.000 1.103 306 N CA -0.165 52.792 53.050 -0.154 0.000 0.954 306 N CB 1.772 40.213 38.487 -0.076 0.000 1.085 306 N HN 0.554 nan 8.380 nan 0.000 0.485 307 V N 1.284 121.062 119.914 -0.227 0.000 3.306 307 V HA 0.086 4.206 4.120 -0.000 0.000 0.264 307 V C 1.427 177.499 176.094 -0.036 0.000 1.149 307 V CA 0.958 63.107 62.300 -0.251 0.000 1.143 307 V CB -0.435 31.201 31.823 -0.311 0.000 0.767 307 V HN 0.530 nan 8.190 nan 0.000 0.476 308 E N 1.988 122.172 120.200 -0.027 0.000 2.060 308 E HA -0.082 4.267 4.350 -0.000 0.000 0.189 308 E C 2.227 178.832 176.600 0.009 0.000 0.974 308 E CA 1.646 58.050 56.400 0.007 0.000 0.808 308 E CB -0.221 29.481 29.700 0.002 0.000 0.768 308 E HN 0.816 nan 8.360 nan 0.000 0.453 309 T N -1.615 112.937 114.554 -0.005 0.000 3.107 309 T HA 0.012 4.362 4.350 -0.000 0.000 0.249 309 T C 0.101 174.806 174.700 0.008 0.000 1.096 309 T CA 0.007 62.109 62.100 0.004 0.000 1.012 309 T CB 0.046 68.915 68.868 0.003 0.000 0.977 309 T HN -0.101 nan 8.240 nan 0.000 0.527 310 D N 2.466 122.868 120.400 0.003 0.000 2.697 310 D HA -0.120 4.520 4.640 -0.000 0.000 0.238 310 D C -0.109 176.186 176.300 -0.009 0.000 1.152 310 D CA 1.517 55.529 54.000 0.019 0.000 0.666 310 D CB -1.659 39.181 40.800 0.067 0.000 1.037 310 D HN 0.808 nan 8.370 nan 0.000 0.423 311 T N -2.904 111.626 114.554 -0.040 0.000 2.876 311 T HA 0.800 5.150 4.350 -0.000 0.000 0.289 311 T C -0.316 174.350 174.700 -0.056 0.000 1.014 311 T CA -0.521 61.568 62.100 -0.019 0.000 0.986 311 T CB 2.762 71.635 68.868 0.009 0.000 1.021 311 T HN 0.304 nan 8.240 nan 0.000 0.458 312 A N 1.825 124.630 122.820 -0.025 0.000 2.386 312 A HA 0.828 5.148 4.320 -0.000 0.000 0.311 312 A C -0.641 176.985 177.584 0.071 0.000 1.068 312 A CA -0.810 51.205 52.037 -0.038 0.000 0.743 312 A CB 1.636 20.558 19.000 -0.130 0.000 1.258 312 A HN 0.953 nan 8.150 nan 0.000 0.429 313 E N 1.366 121.653 120.200 0.145 0.000 2.293 313 E HA 0.684 5.034 4.350 -0.000 0.000 0.270 313 E C -1.643 175.143 176.600 0.310 0.000 0.879 313 E CA -0.529 55.998 56.400 0.212 0.000 0.756 313 E CB 1.615 31.506 29.700 0.319 0.000 1.208 313 E HN 0.608 nan 8.360 nan 0.000 0.428 314 I N 3.426 124.083 120.570 0.145 0.000 2.466 314 I HA 0.511 4.681 4.170 -0.000 0.000 0.289 314 I C -0.313 175.726 176.117 -0.130 0.000 1.026 314 I CA -0.716 60.681 61.300 0.161 0.000 1.078 314 I CB 1.819 39.907 38.000 0.146 0.000 1.249 314 I HN 0.325 nan 8.210 nan 0.000 0.429 315 R N 5.155 125.526 120.500 -0.215 0.000 2.771 315 R HA 0.645 4.985 4.340 -0.000 0.000 0.274 315 R C -1.053 175.202 176.300 -0.074 0.000 0.987 315 R CA -1.085 54.710 56.100 -0.509 0.000 0.908 315 R CB 2.713 32.159 30.300 -1.424 0.000 1.213 315 R HN 0.473 nan 8.270 nan 0.000 0.468 316 L N 2.478 123.665 121.223 -0.061 0.000 2.483 316 L HA 0.164 4.503 4.340 -0.000 0.000 0.275 316 L C 0.664 177.599 176.870 0.109 0.000 1.220 316 L CA 0.338 55.210 54.840 0.052 0.000 0.833 316 L CB 0.192 42.254 42.059 0.005 0.000 1.102 316 L HN 0.425 nan 8.230 nan 0.000 0.490 317 M N 1.587 121.259 119.600 0.120 0.000 2.219 317 M HA -0.011 4.469 4.480 -0.000 0.000 0.353 317 M C 0.849 177.157 176.300 0.013 0.000 1.304 317 M CA 0.020 55.340 55.300 0.032 0.000 1.115 317 M CB 0.925 33.486 32.600 -0.066 0.000 1.664 317 M HN 0.783 nan 8.290 nan 0.000 0.459 318 c N 2.110 120.704 118.600 -0.011 0.000 2.634 318 c HA 0.039 4.608 4.570 -0.000 0.000 0.268 318 c C 1.568 175.646 174.090 -0.021 0.000 1.322 318 c CA 0.256 56.588 56.329 0.004 0.000 1.737 318 c CB -0.339 42.175 42.510 0.007 0.000 1.976 318 c HN 0.894 nan 8.230 nan 0.000 0.547 319 T N 1.402 115.895 114.554 -0.102 0.000 2.933 319 T HA -0.034 4.316 4.350 -0.000 0.000 0.306 319 T C 1.267 175.827 174.700 -0.233 0.000 1.045 319 T CA 0.795 62.789 62.100 -0.176 0.000 1.143 319 T CB 0.433 69.139 68.868 -0.271 0.000 1.003 319 T HN 0.777 nan 8.240 nan 0.000 0.540 320 E N 2.227 122.232 120.200 -0.325 0.000 2.401 320 E HA -0.059 4.291 4.350 -0.000 0.000 0.199 320 E C 0.430 176.380 176.600 -1.083 0.000 1.023 320 E CA 0.630 56.642 56.400 -0.646 0.000 0.859 320 E CB -0.172 29.314 29.700 -0.357 0.000 0.780 320 E HN 0.501 nan 8.360 nan 0.000 0.523 321 T N 2.395 116.538 114.554 -0.685 0.000 3.766 321 T HA 0.106 4.456 4.350 -0.000 0.000 0.327 321 T C -0.945 173.431 174.700 -0.540 0.000 1.595 321 T CA -0.474 61.256 62.100 -0.617 0.000 1.204 321 T CB -0.657 67.888 68.868 -0.539 0.000 1.245 321 T HN 0.094 nan 8.240 nan 0.000 0.875 322 Y N 1.412 121.579 120.300 -0.222 0.000 2.721 322 Y HA 0.073 4.623 4.550 -0.000 0.000 0.329 322 Y C 1.278 177.056 175.900 -0.203 0.000 1.211 322 Y CA -1.019 56.969 58.100 -0.188 0.000 1.512 322 Y CB -0.048 38.337 38.460 -0.125 0.000 1.249 322 Y HN 0.444 nan 8.280 nan 0.000 0.549 323 L N 1.259 122.455 121.223 -0.045 0.000 2.554 323 L HA 0.109 4.449 4.340 -0.000 0.000 0.225 323 L C 0.642 177.501 176.870 -0.018 0.000 1.104 323 L CA 0.114 54.900 54.840 -0.089 0.000 0.866 323 L CB 0.033 42.015 42.059 -0.128 0.000 1.047 323 L HN 0.572 nan 8.230 nan 0.000 0.468 324 D N 0.129 120.530 120.400 0.001 0.000 2.354 324 D HA 0.228 4.868 4.640 -0.000 0.000 0.247 324 D C -0.381 175.914 176.300 -0.008 0.000 1.138 324 D CA 0.355 54.352 54.000 -0.005 0.000 0.958 324 D CB 1.358 42.146 40.800 -0.020 0.000 1.144 324 D HN -0.169 nan 8.370 nan 0.000 0.458 325 T N 2.632 117.175 114.554 -0.019 0.000 2.937 325 T HA 0.451 4.800 4.350 -0.000 0.000 0.297 325 T C -2.504 172.164 174.700 -0.054 0.000 0.991 325 T CA -1.171 60.910 62.100 -0.033 0.000 0.990 325 T CB 2.040 70.886 68.868 -0.036 0.000 0.991 325 T HN 0.191 nan 8.240 nan 0.000 0.440 326 P HA 0.608 nan 4.420 nan 0.000 0.276 326 P C -0.679 176.595 177.300 -0.044 0.000 1.261 326 P CA -0.825 62.245 63.100 -0.052 0.000 0.800 326 P CB 0.718 32.383 31.700 -0.058 0.000 1.066 327 R N -0.905 119.579 120.500 -0.028 0.000 2.663 327 R HA 0.647 4.987 4.340 -0.000 0.000 0.267 327 R C -3.055 173.247 176.300 0.004 0.000 1.038 327 R CA -1.899 54.193 56.100 -0.014 0.000 0.886 327 R CB 0.717 31.044 30.300 0.044 0.000 1.249 327 R HN 0.179 nan 8.270 nan 0.000 0.463 328 P HA 0.165 nan 4.420 nan 0.000 0.293 328 P C -0.878 176.491 177.300 0.114 0.000 1.304 328 P CA -0.361 62.758 63.100 0.032 0.000 0.767 328 P CB 0.320 32.014 31.700 -0.011 0.000 1.247 329 D N 0.053 120.506 120.400 0.088 0.000 2.478 329 D HA 0.005 4.645 4.640 -0.000 0.000 0.234 329 D C -0.082 176.299 176.300 0.134 0.000 1.154 329 D CA 0.678 54.726 54.000 0.079 0.000 0.874 329 D CB -0.249 40.578 40.800 0.045 0.000 1.198 329 D HN 0.237 nan 8.370 nan 0.000 0.455 330 D N 0.261 120.654 120.400 -0.012 0.000 2.487 330 D HA 0.285 4.925 4.640 -0.000 0.000 0.243 330 D C 1.567 177.791 176.300 -0.127 0.000 1.154 330 D CA 0.958 54.821 54.000 -0.227 0.000 0.876 330 D CB 0.573 41.219 40.800 -0.255 0.000 1.161 330 D HN 0.596 nan 8.370 nan 0.000 0.478 331 G N 1.867 110.562 108.800 -0.175 0.000 2.179 331 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.260 331 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.260 331 G C 1.188 176.171 174.900 0.137 0.000 0.977 331 G CA 0.812 45.911 45.100 -0.001 0.000 0.641 331 G HN 0.598 nan 8.290 nan 0.000 0.533 332 S N -0.493 115.340 115.700 0.220 0.000 2.461 332 S HA 0.311 4.781 4.470 -0.000 0.000 0.228 332 S C 1.185 175.835 174.600 0.084 0.000 1.005 332 S CA 0.476 58.750 58.200 0.123 0.000 0.942 332 S CB -0.021 63.238 63.200 0.097 0.000 0.776 332 S HN 0.598 nan 8.310 nan 0.000 0.514 333 I N 4.196 124.830 120.570 0.106 0.000 2.494 333 I HA 0.110 4.280 4.170 -0.000 0.000 0.289 333 I C 0.896 177.029 176.117 0.027 0.000 1.106 333 I CA -0.262 61.027 61.300 -0.019 0.000 1.369 333 I CB 0.201 38.078 38.000 -0.205 0.000 1.410 333 I HN 0.261 nan 8.210 nan 0.000 0.523 334 T N 2.778 117.333 114.554 0.001 0.000 2.847 334 T HA 0.733 5.082 4.350 -0.000 0.000 0.279 334 T C 0.520 175.217 174.700 -0.005 0.000 0.984 334 T CA 0.015 62.118 62.100 0.005 0.000 0.988 334 T CB 1.698 70.565 68.868 -0.002 0.000 1.040 334 T HN 1.060 nan 8.240 nan 0.000 0.528 335 G N 1.415 110.213 108.800 -0.004 0.000 2.728 335 G HA2 0.045 4.004 3.960 -0.000 0.000 0.294 335 G HA3 0.045 4.004 3.960 -0.000 0.000 0.294 335 G C -2.527 172.369 174.900 -0.006 0.000 1.342 335 G CA -0.505 44.589 45.100 -0.010 0.000 0.866 335 G HN 0.891 nan 8.290 nan 0.000 0.534 336 P HA 0.310 nan 4.420 nan 0.000 0.293 336 P C 1.399 178.693 177.300 -0.010 0.000 1.298 336 P CA 0.199 63.292 63.100 -0.011 0.000 0.757 336 P CB 0.112 31.801 31.700 -0.018 0.000 1.262 337 c N -0.251 118.343 118.600 -0.010 0.000 2.403 337 c HA -0.109 4.461 4.570 -0.000 0.000 0.277 337 c C 2.347 176.421 174.090 -0.026 0.000 1.248 337 c CA 1.181 57.506 56.329 -0.007 0.000 1.762 337 c CB -1.485 41.023 42.510 -0.003 0.000 2.014 337 c HN 0.638 nan 8.230 nan 0.000 0.486 338 E N 1.005 121.178 120.200 -0.046 0.000 2.482 338 E HA 0.018 4.368 4.350 -0.000 0.000 0.196 338 E C 0.601 177.166 176.600 -0.058 0.000 1.047 338 E CA 0.247 56.608 56.400 -0.065 0.000 0.869 338 E CB -0.357 29.295 29.700 -0.080 0.000 0.836 338 E HN 0.433 nan 8.360 nan 0.000 0.520 339 S N 2.305 117.976 115.700 -0.048 0.000 2.549 339 S HA 0.047 4.517 4.470 -0.000 0.000 0.286 339 S C 1.003 175.561 174.600 -0.071 0.000 1.314 339 S CA -0.486 57.682 58.200 -0.054 0.000 1.062 339 S CB 0.675 63.848 63.200 -0.045 0.000 0.865 339 S HN 0.200 nan 8.310 nan 0.000 0.498 340 N N 2.960 121.618 118.700 -0.069 0.000 2.028 340 N HA -0.065 4.675 4.740 -0.000 0.000 0.194 340 N C 1.824 177.257 175.510 -0.128 0.000 1.050 340 N CA 1.641 54.648 53.050 -0.071 0.000 0.848 340 N CB -0.668 37.802 38.487 -0.028 0.000 1.038 340 N HN 0.685 nan 8.380 nan 0.000 0.423 341 G N -0.027 108.693 108.800 -0.134 0.000 2.760 341 G HA2 0.037 3.997 3.960 -0.000 0.000 0.214 341 G HA3 0.037 3.997 3.960 -0.000 0.000 0.214 341 G C 0.093 174.946 174.900 -0.078 0.000 1.212 341 G CA 0.094 45.145 45.100 -0.082 0.000 0.858 341 G HN 0.161 nan 8.290 nan 0.000 0.611 342 D N -0.580 119.757 120.400 -0.105 0.000 2.384 342 D HA 0.427 5.067 4.640 -0.000 0.000 0.250 342 D C 0.056 176.295 176.300 -0.102 0.000 1.029 342 D CA -0.545 53.404 54.000 -0.085 0.000 0.990 342 D CB 1.459 42.219 40.800 -0.066 0.000 1.175 342 D HN 0.124 nan 8.370 nan 0.000 0.532 343 K N -0.349 120.005 120.400 -0.078 0.000 3.069 343 K HA -0.180 4.139 4.320 -0.000 0.000 0.267 343 K C 1.029 177.573 176.600 -0.093 0.000 1.082 343 K CA 0.561 56.802 56.287 -0.078 0.000 0.782 343 K CB -1.203 31.255 32.500 -0.070 0.000 1.230 343 K HN 0.614 nan 8.250 nan 0.000 0.488 344 G N 0.365 109.107 108.800 -0.096 0.000 2.683 344 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.213 344 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.213 344 G C 0.313 175.125 174.900 -0.146 0.000 1.142 344 G CA 0.427 45.462 45.100 -0.110 0.000 0.793 344 G HN 0.424 nan 8.290 nan 0.000 0.534 345 S N 0.230 115.843 115.700 -0.145 0.000 2.549 345 S HA 0.560 5.030 4.470 -0.000 0.000 0.279 345 S C 0.658 175.173 174.600 -0.141 0.000 1.321 345 S CA 0.089 58.185 58.200 -0.173 0.000 1.054 345 S CB 1.179 64.292 63.200 -0.145 0.000 0.899 345 S HN 1.642 nan 8.310 nan 0.000 0.497 346 G N 1.414 110.123 108.800 -0.153 0.000 2.757 346 G HA2 0.442 4.402 3.960 -0.000 0.000 0.638 346 G HA3 0.442 4.402 3.960 -0.000 0.000 0.638 346 G C -0.080 174.756 174.900 -0.106 0.000 1.344 346 G CA -0.361 44.674 45.100 -0.109 0.000 0.855 346 G HN 2.319 nan 8.290 nan 0.000 0.537 347 G N -1.639 107.121 108.800 -0.067 0.000 2.315 347 G HA2 0.652 4.611 3.960 -0.000 0.000 0.294 347 G HA3 0.652 4.611 3.960 -0.000 0.000 0.294 347 G C -1.454 173.442 174.900 -0.006 0.000 1.300 347 G CA 0.219 45.291 45.100 -0.047 0.000 0.843 347 G HN 1.951 nan 8.290 nan 0.000 0.527 348 I N -0.450 120.117 120.570 -0.004 0.000 2.842 348 I HA 0.501 4.671 4.170 -0.000 0.000 0.297 348 I C -0.474 175.580 176.117 -0.105 0.000 1.380 348 I CA -0.964 60.349 61.300 0.023 0.000 1.018 348 I CB 2.181 40.220 38.000 0.066 0.000 1.311 348 I HN 0.639 nan 8.210 nan 0.000 0.439 349 K N 3.727 123.873 120.400 -0.423 0.000 2.326 349 K HA 0.512 4.832 4.320 -0.000 0.000 0.275 349 K C -0.370 176.186 176.600 -0.073 0.000 1.018 349 K CA 0.003 56.051 56.287 -0.397 0.000 0.962 349 K CB 0.981 32.984 32.500 -0.828 0.000 0.953 349 K HN 0.770 nan 8.250 nan 0.000 0.475 350 G N 1.499 110.321 108.800 0.037 0.000 2.524 350 G HA2 0.518 4.478 3.960 -0.000 0.000 0.310 350 G HA3 0.518 4.478 3.960 -0.000 0.000 0.310 350 G C -0.637 174.390 174.900 0.212 0.000 1.279 350 G CA -0.937 44.243 45.100 0.133 0.000 0.974 350 G HN 0.708 nan 8.290 nan 0.000 0.484 351 G N -0.776 108.163 108.800 0.232 0.000 2.432 351 G HA2 0.536 4.495 3.960 -0.000 0.000 0.257 351 G HA3 0.536 4.495 3.960 -0.000 0.000 0.257 351 G C -1.320 173.785 174.900 0.341 0.000 1.238 351 G CA -0.205 45.045 45.100 0.250 0.000 0.838 351 G HN 0.722 nan 8.290 nan 0.000 0.547 352 F N 1.932 121.929 119.950 0.079 0.000 2.639 352 F HA 0.592 5.118 4.527 -0.000 0.000 0.320 352 F C -1.409 174.342 175.800 -0.082 0.000 1.128 352 F CA -1.145 56.825 58.000 -0.049 0.000 1.037 352 F CB 1.577 40.576 39.000 -0.001 0.000 1.288 352 F HN 0.593 nan 8.300 nan 0.000 0.463 353 V N 5.212 124.734 119.914 -0.653 0.000 3.077 353 V HA 0.465 4.585 4.120 -0.000 0.000 0.299 353 V C -1.540 174.164 176.094 -0.649 0.000 1.276 353 V CA -0.591 61.343 62.300 -0.610 0.000 0.993 353 V CB 2.455 34.190 31.823 -0.146 0.000 1.076 353 V HN 0.863 nan 8.190 nan 0.000 0.434 354 H N 3.189 122.082 119.070 -0.294 0.000 2.473 354 H HA 0.542 5.097 4.556 -0.000 0.000 0.327 354 H C -0.227 175.147 175.328 0.076 0.000 1.105 354 H CA -0.113 55.879 56.048 -0.094 0.000 1.280 354 H CB 1.320 31.028 29.762 -0.091 0.000 1.450 354 H HN 0.604 nan 8.280 nan 0.000 0.492 355 Q N 3.507 123.498 119.800 0.317 0.000 2.425 355 Q HA 0.280 4.620 4.340 -0.000 0.000 0.254 355 Q C -0.860 175.292 176.000 0.255 0.000 1.032 355 Q CA -0.877 55.107 55.803 0.302 0.000 0.798 355 Q CB 0.448 29.486 28.738 0.499 0.000 1.210 355 Q HN 0.630 nan 8.270 nan 0.000 0.491 356 R N 3.900 124.507 120.500 0.177 0.000 2.196 356 R HA 0.397 4.737 4.340 -0.000 0.000 0.340 356 R C -0.424 175.944 176.300 0.113 0.000 1.043 356 R CA 0.102 56.281 56.100 0.131 0.000 0.883 356 R CB 0.905 31.253 30.300 0.081 0.000 1.078 356 R HN 0.526 nan 8.270 nan 0.000 0.462 357 M N 0.818 120.489 119.600 0.119 0.000 2.762 357 M HA 0.375 4.855 4.480 -0.000 0.000 0.306 357 M C 1.260 177.596 176.300 0.060 0.000 1.223 357 M CA -0.506 54.848 55.300 0.091 0.000 0.896 357 M CB 1.622 34.286 32.600 0.107 0.000 1.684 357 M HN 0.657 nan 8.290 nan 0.000 0.491 358 A N 0.167 123.011 122.820 0.041 0.000 1.863 358 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 358 A C 1.710 179.310 177.584 0.027 0.000 1.233 358 A CA 2.438 54.490 52.037 0.025 0.000 0.655 358 A CB -0.862 18.148 19.000 0.016 0.000 0.839 358 A HN 0.741 nan 8.150 nan 0.000 0.454 359 S N -0.993 114.723 115.700 0.028 0.000 2.601 359 S HA 0.344 4.813 4.470 -0.000 0.000 0.244 359 S C 0.066 174.690 174.600 0.040 0.000 1.001 359 S CA -0.255 57.961 58.200 0.026 0.000 0.984 359 S CB -0.037 63.172 63.200 0.015 0.000 0.842 359 S HN 0.520 nan 8.310 nan 0.000 0.474 360 K N 1.113 121.551 120.400 0.063 0.000 2.551 360 K HA 0.547 4.867 4.320 -0.000 0.000 0.269 360 K C -1.987 174.700 176.600 0.146 0.000 0.949 360 K CA -0.612 55.734 56.287 0.100 0.000 0.849 360 K CB 2.016 34.571 32.500 0.092 0.000 1.411 360 K HN 0.148 nan 8.250 nan 0.000 0.432 361 I N 1.524 122.203 120.570 0.181 0.000 2.498 361 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 361 I C -0.492 175.758 176.117 0.222 0.000 1.032 361 I CA -0.487 60.932 61.300 0.198 0.000 1.073 361 I CB 1.761 39.851 38.000 0.150 0.000 1.251 361 I HN 0.719 nan 8.210 nan 0.000 0.426 362 G N 6.740 115.652 108.800 0.187 0.000 2.343 362 G HA2 0.544 4.504 3.960 -0.000 0.000 0.319 362 G HA3 0.544 4.504 3.960 -0.000 0.000 0.319 362 G C -0.878 173.918 174.900 -0.173 0.000 1.126 362 G CA -0.636 44.315 45.100 -0.248 0.000 0.889 362 G HN 0.601 nan 8.290 nan 0.000 0.457 363 R N 1.418 121.689 120.500 -0.382 0.000 2.310 363 R HA 0.284 4.624 4.340 -0.000 0.000 0.324 363 R C -1.320 174.642 176.300 -0.563 0.000 0.955 363 R CA -0.515 55.414 56.100 -0.285 0.000 0.830 363 R CB 1.734 32.037 30.300 0.005 0.000 1.154 363 R HN 0.540 nan 8.270 nan 0.000 0.458 364 W N 2.976 123.983 121.300 -0.489 0.000 2.520 364 W HA 0.408 5.068 4.660 -0.000 0.000 0.323 364 W C -0.368 175.911 176.519 -0.400 0.000 1.062 364 W CA -0.207 56.891 57.345 -0.411 0.000 1.215 364 W CB 0.864 30.040 29.460 -0.473 0.000 1.340 364 W HN 0.435 nan 8.180 nan 0.000 0.516 365 Y N 0.866 121.295 120.300 0.215 0.000 2.609 365 Y HA 0.608 5.158 4.550 -0.000 0.000 0.342 365 Y C 0.192 176.206 175.900 0.190 0.000 1.058 365 Y CA -1.302 56.928 58.100 0.217 0.000 1.055 365 Y CB 2.240 40.776 38.460 0.127 0.000 1.292 365 Y HN 0.308 nan 8.280 nan 0.000 0.476 366 S N 1.402 117.309 115.700 0.346 0.000 2.570 366 S HA 0.953 5.423 4.470 -0.000 0.000 0.286 366 S C -1.137 173.599 174.600 0.226 0.000 1.099 366 S CA -1.035 57.325 58.200 0.266 0.000 0.913 366 S CB 2.715 66.002 63.200 0.145 0.000 1.085 366 S HN 0.862 nan 8.310 nan 0.000 0.480 367 R N -0.545 120.090 120.500 0.225 0.000 2.739 367 R HA 0.651 4.991 4.340 -0.000 0.000 0.271 367 R C -0.674 175.711 176.300 0.141 0.000 1.010 367 R CA -0.779 55.405 56.100 0.139 0.000 0.897 367 R CB 0.588 30.914 30.300 0.043 0.000 1.236 367 R HN 0.742 nan 8.270 nan 0.000 0.466 368 T N -0.369 114.241 114.554 0.093 0.000 2.903 368 T HA 0.064 4.414 4.350 -0.000 0.000 0.314 368 T C 1.035 175.783 174.700 0.079 0.000 1.078 368 T CA -0.462 61.684 62.100 0.076 0.000 1.114 368 T CB 0.559 69.449 68.868 0.036 0.000 0.987 368 T HN 0.583 nan 8.240 nan 0.000 0.548 369 M N 1.730 121.371 119.600 0.068 0.000 2.200 369 M HA 0.152 4.632 4.480 -0.000 0.000 0.265 369 M C 1.454 177.782 176.300 0.045 0.000 1.066 369 M CA 0.843 56.181 55.300 0.063 0.000 1.127 369 M CB -0.694 31.934 32.600 0.046 0.000 1.379 369 M HN 0.807 nan 8.290 nan 0.000 0.420 370 S N -0.066 115.652 115.700 0.030 0.000 2.545 370 S HA 0.129 4.599 4.470 -0.000 0.000 0.275 370 S C 1.095 175.699 174.600 0.008 0.000 1.299 370 S CA -0.333 57.876 58.200 0.015 0.000 1.048 370 S CB 0.696 63.897 63.200 0.002 0.000 0.938 370 S HN 0.320 nan 8.310 nan 0.000 0.496 371 K N 2.335 122.739 120.400 0.006 0.000 2.211 371 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 371 K C 1.270 177.861 176.600 -0.014 0.000 1.050 371 K CA 1.534 57.822 56.287 0.003 0.000 0.945 371 K CB 0.001 32.507 32.500 0.009 0.000 0.732 371 K HN 0.629 nan 8.250 nan 0.000 0.451 372 T N -0.147 114.394 114.554 -0.023 0.000 3.019 372 T HA 0.111 4.461 4.350 -0.000 0.000 0.247 372 T C 0.283 174.947 174.700 -0.060 0.000 0.992 372 T CA 0.184 62.261 62.100 -0.038 0.000 1.036 372 T CB 0.528 69.377 68.868 -0.030 0.000 1.063 372 T HN 0.003 nan 8.240 nan 0.000 0.476 373 K N 1.327 121.693 120.400 -0.057 0.000 2.166 373 K HA 0.508 4.828 4.320 -0.000 0.000 0.245 373 K C -0.285 176.247 176.600 -0.114 0.000 0.967 373 K CA -0.774 55.461 56.287 -0.087 0.000 0.863 373 K CB 1.517 33.989 32.500 -0.048 0.000 1.107 373 K HN -0.081 nan 8.250 nan 0.000 0.436 374 R N 1.661 122.029 120.500 -0.220 0.000 4.556 374 R HA 0.177 4.517 4.340 -0.000 0.000 0.197 374 R C -0.461 175.795 176.300 -0.074 0.000 1.791 374 R CA 0.078 55.998 56.100 -0.300 0.000 1.526 374 R CB -0.093 29.635 30.300 -0.953 0.000 1.410 374 R HN 0.230 nan 8.270 nan 0.000 0.826 375 M N 0.498 120.100 119.600 0.003 0.000 2.326 375 M HA 0.372 4.852 4.480 -0.000 0.000 0.306 375 M C 0.402 176.738 176.300 0.059 0.000 1.054 375 M CA -0.496 54.841 55.300 0.061 0.000 0.922 375 M CB 1.710 34.335 32.600 0.042 0.000 1.632 375 M HN 0.545 nan 8.290 nan 0.000 0.436 376 G N 2.874 111.718 108.800 0.074 0.000 2.814 376 G HA2 0.017 3.977 3.960 -0.000 0.000 0.677 376 G HA3 0.017 3.977 3.960 -0.000 0.000 0.677 376 G C -1.244 173.695 174.900 0.066 0.000 1.429 376 G CA -0.645 44.489 45.100 0.058 0.000 0.868 376 G HN 0.734 nan 8.290 nan 0.000 0.553 377 M N 0.467 120.091 119.600 0.040 0.000 2.296 377 M HA 0.626 5.106 4.480 -0.000 0.000 0.268 377 M C -0.051 176.240 176.300 -0.016 0.000 1.048 377 M CA 0.509 55.831 55.300 0.037 0.000 0.966 377 M CB 1.574 34.194 32.600 0.033 0.000 1.912 377 M HN 1.890 nan 8.290 nan 0.000 0.484 378 G N 2.957 111.776 108.800 0.032 0.000 2.432 378 G HA2 0.707 4.667 3.960 -0.000 0.000 0.331 378 G HA3 0.707 4.667 3.960 -0.000 0.000 0.331 378 G C -2.133 172.707 174.900 -0.100 0.000 1.170 378 G CA -0.626 44.429 45.100 -0.075 0.000 0.943 378 G HN 0.708 nan 8.290 nan 0.000 0.483 379 L N 0.738 121.784 121.223 -0.294 0.000 2.317 379 L HA 0.739 5.079 4.340 -0.000 0.000 0.281 379 L C -1.387 175.255 176.870 -0.380 0.000 1.024 379 L CA -0.948 53.776 54.840 -0.193 0.000 0.810 379 L CB 1.088 43.052 42.059 -0.159 0.000 1.240 379 L HN 0.506 nan 8.230 nan 0.000 0.427 380 Y N 3.215 123.540 120.300 0.041 0.000 2.545 380 Y HA 0.757 5.306 4.550 -0.000 0.000 0.348 380 Y C -0.524 175.317 175.900 -0.099 0.000 1.002 380 Y CA -0.729 57.370 58.100 -0.002 0.000 1.039 380 Y CB 2.312 40.782 38.460 0.017 0.000 1.271 380 Y HN 0.397 nan 8.280 nan 0.000 0.467 381 V N 2.518 122.346 119.914 -0.143 0.000 3.049 381 V HA 0.717 4.836 4.120 -0.000 0.000 0.309 381 V C -1.678 174.187 176.094 -0.382 0.000 1.148 381 V CA -0.805 61.128 62.300 -0.610 0.000 0.990 381 V CB 2.278 33.234 31.823 -1.446 0.000 1.039 381 V HN 0.798 nan 8.190 nan 0.000 0.430 382 K N 3.691 123.806 120.400 -0.475 0.000 2.543 382 K HA 0.527 4.847 4.320 -0.000 0.000 0.255 382 K C -2.238 174.126 176.600 -0.394 0.000 0.934 382 K CA -0.580 55.534 56.287 -0.289 0.000 0.810 382 K CB 1.885 34.330 32.500 -0.091 0.000 1.315 382 K HN 0.664 nan 8.250 nan 0.000 0.433 383 Y N 2.890 123.130 120.300 -0.099 0.000 2.323 383 Y HA 0.224 4.774 4.550 -0.000 0.000 0.331 383 Y C 0.463 176.350 175.900 -0.021 0.000 1.092 383 Y CA 0.238 58.306 58.100 -0.054 0.000 1.150 383 Y CB 0.992 39.425 38.460 -0.045 0.000 1.200 383 Y HN 0.786 nan 8.280 nan 0.000 0.472 384 D N 0.319 120.797 120.400 0.130 0.000 4.121 384 D HA -0.140 4.499 4.640 -0.000 0.000 0.291 384 D C 0.596 176.913 176.300 0.028 0.000 2.247 384 D CA 1.657 55.703 54.000 0.077 0.000 1.125 384 D CB -0.789 40.058 40.800 0.077 0.000 1.032 384 D HN 1.096 nan 8.370 nan 0.000 1.224 385 G N -0.084 108.723 108.800 0.011 0.000 2.693 385 G HA2 0.050 4.010 3.960 -0.000 0.000 0.226 385 G HA3 0.050 4.010 3.960 -0.000 0.000 0.226 385 G C -0.980 173.891 174.900 -0.049 0.000 1.354 385 G CA 0.561 45.652 45.100 -0.015 0.000 0.873 385 G HN 0.895 nan 8.290 nan 0.000 0.562 386 D N 0.149 120.508 120.400 -0.068 0.000 2.469 386 D HA 0.593 5.232 4.640 -0.000 0.000 0.251 386 D C -1.237 174.966 176.300 -0.162 0.000 1.173 386 D CA -2.100 51.829 54.000 -0.119 0.000 0.882 386 D CB 1.630 42.402 40.800 -0.047 0.000 1.129 386 D HN 0.007 nan 8.370 nan 0.000 0.549 387 P HA -0.072 nan 4.420 nan 0.000 0.222 387 P C 0.981 178.182 177.300 -0.165 0.000 1.142 387 P CA 0.669 63.516 63.100 -0.421 0.000 0.788 387 P CB 0.126 31.214 31.700 -1.021 0.000 0.767 388 W N -0.091 121.072 121.300 -0.229 0.000 2.467 388 W HA 0.038 4.698 4.660 -0.000 0.000 0.275 388 W C 1.891 178.359 176.519 -0.085 0.000 1.239 388 W CA 1.904 59.178 57.345 -0.120 0.000 1.266 388 W CB -1.525 27.907 29.460 -0.048 0.000 1.112 388 W HN 0.149 nan 8.180 nan 0.000 0.576 389 T N -5.074 109.561 114.554 0.135 0.000 2.969 389 T HA 0.106 4.456 4.350 -0.000 0.000 0.258 389 T C -0.138 174.571 174.700 0.015 0.000 0.962 389 T CA -0.207 61.936 62.100 0.070 0.000 0.903 389 T CB 0.031 68.946 68.868 0.078 0.000 1.177 389 T HN -0.341 nan 8.240 nan 0.000 0.511 390 D N 3.041 123.432 120.400 -0.015 0.000 2.338 390 D HA 0.320 4.960 4.640 -0.000 0.000 0.255 390 D C 1.215 177.482 176.300 -0.054 0.000 1.237 390 D CA 0.188 54.163 54.000 -0.041 0.000 0.883 390 D CB 1.378 42.139 40.800 -0.065 0.000 1.087 390 D HN 0.415 nan 8.370 nan 0.000 0.485 391 S N 1.285 116.959 115.700 -0.043 0.000 2.528 391 S HA -0.016 4.454 4.470 -0.000 0.000 0.219 391 S C 0.582 175.134 174.600 -0.079 0.000 0.985 391 S CA -0.424 57.744 58.200 -0.053 0.000 0.914 391 S CB 0.164 63.346 63.200 -0.030 0.000 0.776 391 S HN 0.261 nan 8.310 nan 0.000 0.526 392 D N 3.027 123.384 120.400 -0.072 0.000 2.449 392 D HA 0.420 5.060 4.640 -0.000 0.000 0.236 392 D C 0.468 176.701 176.300 -0.112 0.000 1.149 392 D CA 0.562 54.516 54.000 -0.076 0.000 0.878 392 D CB 0.636 41.403 40.800 -0.055 0.000 1.198 392 D HN 0.483 nan 8.370 nan 0.000 0.446 393 A N 1.887 124.641 122.820 -0.110 0.000 2.483 393 A HA 0.181 4.501 4.320 -0.000 0.000 0.238 393 A C -0.114 177.404 177.584 -0.110 0.000 1.070 393 A CA -0.324 51.632 52.037 -0.136 0.000 0.770 393 A CB 0.135 19.073 19.000 -0.103 0.000 1.008 393 A HN 0.409 nan 8.150 nan 0.000 0.497 394 L N 1.362 122.501 121.223 -0.140 0.000 2.397 394 L HA 0.444 4.784 4.340 -0.000 0.000 0.271 394 L C 0.952 177.870 176.870 0.079 0.000 1.148 394 L CA 0.525 55.329 54.840 -0.060 0.000 0.825 394 L CB 0.785 42.768 42.059 -0.126 0.000 1.117 394 L HN 0.771 nan 8.230 nan 0.000 0.456 395 A N 3.730 126.587 122.820 0.062 0.000 2.366 395 A HA 0.425 4.745 4.320 -0.000 0.000 0.272 395 A C -0.412 177.221 177.584 0.082 0.000 1.135 395 A CA -0.500 51.574 52.037 0.062 0.000 0.804 395 A CB 0.081 19.085 19.000 0.008 0.000 1.064 395 A HN 0.615 nan 8.150 nan 0.000 0.499 396 L N 3.556 124.797 121.223 0.030 0.000 2.433 396 L HA 0.266 4.606 4.340 -0.000 0.000 0.275 396 L C 1.280 178.041 176.870 -0.182 0.000 1.128 396 L CA 1.055 55.735 54.840 -0.268 0.000 0.875 396 L CB 0.810 42.750 42.059 -0.198 0.000 1.171 396 L HN 0.739 nan 8.230 nan 0.000 0.463 397 S N 3.111 118.681 115.700 -0.216 0.000 2.460 397 S HA 0.513 4.983 4.470 -0.000 0.000 0.226 397 S C 0.579 175.165 174.600 -0.024 0.000 1.057 397 S CA 0.438 58.618 58.200 -0.032 0.000 0.948 397 S CB -0.068 63.202 63.200 0.118 0.000 0.822 397 S HN 1.008 nan 8.310 nan 0.000 0.512 398 G N -0.232 108.499 108.800 -0.114 0.000 2.466 398 G HA2 0.449 4.409 3.960 -0.000 0.000 0.291 398 G HA3 0.449 4.409 3.960 -0.000 0.000 0.291 398 G C -1.920 172.902 174.900 -0.130 0.000 1.460 398 G CA -0.485 44.575 45.100 -0.067 0.000 0.791 398 G HN 0.208 nan 8.290 nan 0.000 0.505 399 V N 2.026 121.898 119.914 -0.070 0.000 2.334 399 V HA 0.235 4.355 4.120 -0.000 0.000 0.267 399 V C 1.274 177.312 176.094 -0.093 0.000 1.040 399 V CA -0.156 62.097 62.300 -0.078 0.000 0.866 399 V CB 0.814 32.622 31.823 -0.025 0.000 1.019 399 V HN 0.787 nan 8.190 nan 0.000 0.468 400 M N 3.689 123.146 119.600 -0.238 0.000 2.254 400 M HA 0.071 4.551 4.480 -0.000 0.000 0.265 400 M C 0.114 176.348 176.300 -0.110 0.000 1.066 400 M CA 1.377 56.403 55.300 -0.457 0.000 1.123 400 M CB 0.246 32.277 32.600 -0.949 0.000 1.388 400 M HN 0.440 nan 8.290 nan 0.000 0.425 401 V N 0.447 120.325 119.914 -0.061 0.000 2.623 401 V HA 0.237 4.357 4.120 -0.000 0.000 0.304 401 V C -0.054 176.045 176.094 0.008 0.000 1.054 401 V CA -1.124 61.181 62.300 0.007 0.000 0.882 401 V CB 1.768 33.613 31.823 0.036 0.000 1.002 401 V HN 0.353 nan 8.190 nan 0.000 0.424 402 S N 4.310 120.015 115.700 0.008 0.000 2.608 402 S HA 0.281 4.751 4.470 -0.000 0.000 0.261 402 S C 1.064 175.677 174.600 0.021 0.000 1.314 402 S CA -0.227 57.978 58.200 0.008 0.000 0.992 402 S CB 0.678 63.877 63.200 -0.002 0.000 0.935 402 S HN 0.714 nan 8.310 nan 0.000 0.564 403 M N 0.413 120.026 119.600 0.021 0.000 2.435 403 M HA 0.002 4.481 4.480 -0.000 0.000 0.262 403 M C 1.227 177.545 176.300 0.029 0.000 1.065 403 M CA 1.567 56.883 55.300 0.027 0.000 1.076 403 M CB -0.849 31.764 32.600 0.022 0.000 1.403 403 M HN 0.815 nan 8.290 nan 0.000 0.454 404 E N -0.218 119.996 120.200 0.023 0.000 2.474 404 E HA 0.105 4.455 4.350 -0.000 0.000 0.194 404 E C -0.110 176.508 176.600 0.029 0.000 1.041 404 E CA 0.264 56.678 56.400 0.022 0.000 0.874 404 E CB 0.285 29.992 29.700 0.012 0.000 0.914 404 E HN 0.372 nan 8.360 nan 0.000 0.498 405 E N 0.681 120.903 120.200 0.036 0.000 2.244 405 E HA 0.282 4.632 4.350 -0.000 0.000 0.266 405 E C -2.494 174.153 176.600 0.079 0.000 0.914 405 E CA -2.573 53.853 56.400 0.044 0.000 0.794 405 E CB 1.411 31.130 29.700 0.031 0.000 1.210 405 E HN -0.087 nan 8.360 nan 0.000 0.414 406 P HA 0.158 nan 4.420 nan 0.000 0.276 406 P C -0.373 177.068 177.300 0.234 0.000 1.230 406 P CA -0.278 62.939 63.100 0.195 0.000 0.776 406 P CB 0.640 32.400 31.700 0.100 0.000 0.888 407 G N 2.494 111.498 108.800 0.341 0.000 2.990 407 G HA2 0.392 4.352 3.960 -0.000 0.000 0.300 407 G HA3 0.392 4.352 3.960 -0.000 0.000 0.300 407 G C -0.847 174.288 174.900 0.391 0.000 1.498 407 G CA -0.402 44.873 45.100 0.292 0.000 1.074 407 G HN 0.343 nan 8.290 nan 0.000 0.542 408 W N 0.936 122.302 121.300 0.109 0.000 2.398 408 W HA 0.502 5.162 4.660 -0.000 0.000 0.645 408 W C 0.304 177.020 176.519 0.328 0.000 1.805 408 W CA -0.575 56.869 57.345 0.164 0.000 0.942 408 W CB -0.509 28.985 29.460 0.057 0.000 3.378 408 W HN 0.295 nan 8.180 nan 0.000 0.713 409 Y N 1.656 122.223 120.300 0.446 0.000 2.578 409 Y HA 0.278 4.828 4.550 -0.000 0.000 0.339 409 Y C 0.743 176.866 175.900 0.372 0.000 1.231 409 Y CA -0.938 57.379 58.100 0.360 0.000 1.461 409 Y CB -0.178 38.509 38.460 0.379 0.000 1.323 409 Y HN 0.007 nan 8.280 nan 0.000 0.590 410 S N 2.961 118.937 115.700 0.460 0.000 2.569 410 S HA 0.908 5.378 4.470 -0.000 0.000 0.280 410 S C -1.206 173.622 174.600 0.381 0.000 1.111 410 S CA -0.845 57.557 58.200 0.335 0.000 0.887 410 S CB 2.179 65.489 63.200 0.184 0.000 1.095 410 S HN 0.481 nan 8.310 nan 0.000 0.476 411 F N -1.596 118.536 119.950 0.304 0.000 2.686 411 F HA 0.948 5.475 4.527 -0.000 0.000 0.311 411 F C -0.199 175.813 175.800 0.354 0.000 1.128 411 F CA -0.931 57.253 58.000 0.306 0.000 0.946 411 F CB 0.958 40.159 39.000 0.336 0.000 1.336 411 F HN 0.902 nan 8.300 nan 0.000 0.457 412 G N 0.429 109.516 108.800 0.478 0.000 2.453 412 G HA2 0.775 4.735 3.960 -0.000 0.000 0.323 412 G HA3 0.775 4.735 3.960 -0.000 0.000 0.323 412 G C -1.899 173.345 174.900 0.575 0.000 1.198 412 G CA -0.980 44.326 45.100 0.343 0.000 0.959 412 G HN 1.171 nan 8.290 nan 0.000 0.482 413 F N -1.530 118.560 119.950 0.232 0.000 2.741 413 F HA 0.721 5.247 4.527 -0.000 0.000 0.311 413 F C -1.031 174.863 175.800 0.157 0.000 1.149 413 F CA -1.348 56.799 58.000 0.246 0.000 0.930 413 F CB 1.380 40.594 39.000 0.357 0.000 1.312 413 F HN 0.436 nan 8.300 nan 0.000 0.450 414 E N 2.239 122.576 120.200 0.229 0.000 2.210 414 E HA 0.567 4.917 4.350 -0.000 0.000 0.266 414 E C -1.147 175.563 176.600 0.182 0.000 0.883 414 E CA -0.852 55.586 56.400 0.063 0.000 0.761 414 E CB 3.056 32.808 29.700 0.086 0.000 1.156 414 E HN 0.530 nan 8.360 nan 0.000 0.412 415 I N 2.364 122.981 120.570 0.078 0.000 2.396 415 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 415 I C -0.010 176.141 176.117 0.057 0.000 0.999 415 I CA -0.899 60.476 61.300 0.125 0.000 1.310 415 I CB 0.681 38.744 38.000 0.104 0.000 1.404 415 I HN 0.132 nan 8.210 nan 0.000 0.496 416 K N 4.485 124.922 120.400 0.061 0.000 2.273 416 K HA 0.195 4.515 4.320 -0.000 0.000 0.287 416 K C -0.445 176.163 176.600 0.014 0.000 1.089 416 K CA -0.244 56.061 56.287 0.029 0.000 0.909 416 K CB 0.104 32.616 32.500 0.020 0.000 1.123 416 K HN 0.385 nan 8.250 nan 0.000 0.473 417 D N 1.519 121.921 120.400 0.003 0.000 2.451 417 D HA 0.143 4.783 4.640 -0.000 0.000 0.259 417 D C 0.797 177.095 176.300 -0.002 0.000 1.201 417 D CA -0.229 53.768 54.000 -0.004 0.000 1.028 417 D CB 0.951 41.743 40.800 -0.014 0.000 1.095 417 D HN 0.244 nan 8.370 nan 0.000 0.539 418 K N -0.219 120.179 120.400 -0.005 0.000 2.063 418 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 418 K C 1.076 177.675 176.600 -0.002 0.000 1.048 418 K CA 1.391 57.675 56.287 -0.004 0.000 0.928 418 K CB 0.107 32.604 32.500 -0.005 0.000 0.713 418 K HN 0.280 nan 8.250 nan 0.000 0.442 419 K N -1.030 119.368 120.400 -0.003 0.000 2.477 419 K HA 0.113 4.433 4.320 -0.000 0.000 0.208 419 K C -0.353 176.246 176.600 -0.000 0.000 1.117 419 K CA -0.131 56.155 56.287 -0.002 0.000 1.039 419 K CB 1.120 33.618 32.500 -0.004 0.000 0.937 419 K HN 0.255 nan 8.250 nan 0.000 0.570 420 c N -1.429 117.170 118.600 -0.001 0.000 3.321 420 c HA 0.560 5.130 4.570 -0.000 0.000 0.329 420 c C -1.700 172.389 174.090 -0.002 0.000 1.394 420 c CA -1.319 55.010 56.329 -0.000 0.000 1.291 420 c CB 1.401 43.910 42.510 -0.002 0.000 1.606 420 c HN -0.013 nan 8.230 nan 0.000 0.463 421 D N 0.655 121.055 120.400 0.000 0.000 2.185 421 D HA 0.600 5.240 4.640 -0.000 0.000 0.247 421 D C -0.685 175.595 176.300 -0.033 0.000 1.027 421 D CA -0.186 53.813 54.000 -0.002 0.000 0.861 421 D CB 2.079 42.890 40.800 0.019 0.000 1.202 421 D HN 0.542 nan 8.370 nan 0.000 0.453 422 V N 4.069 123.945 119.914 -0.063 0.000 2.313 422 V HA 0.289 4.409 4.120 -0.000 0.000 0.278 422 V C -2.214 173.741 176.094 -0.233 0.000 1.017 422 V CA -1.670 60.541 62.300 -0.148 0.000 0.823 422 V CB 1.213 32.943 31.823 -0.156 0.000 1.010 422 V HN 0.376 nan 8.190 nan 0.000 0.443 423 P HA 0.281 nan 4.420 nan 0.000 0.271 423 P C -0.655 176.312 177.300 -0.556 0.000 1.220 423 P CA -0.091 62.837 63.100 -0.286 0.000 0.768 423 P CB 0.721 32.344 31.700 -0.127 0.000 0.848 424 c N 4.224 122.480 118.600 -0.573 0.000 2.797 424 c HA 0.582 5.151 4.570 -0.000 0.000 0.306 424 c C -0.193 173.708 174.090 -0.316 0.000 1.207 424 c CA -0.561 55.361 56.329 -0.679 0.000 1.507 424 c CB 1.607 43.311 42.510 -1.344 0.000 2.028 424 c HN 0.455 nan 8.230 nan 0.000 0.475 425 I N 2.364 122.974 120.570 0.067 0.000 2.406 425 I HA 0.518 4.688 4.170 -0.000 0.000 0.290 425 I C 0.566 176.706 176.117 0.039 0.000 0.999 425 I CA 0.394 61.739 61.300 0.075 0.000 1.124 425 I CB 1.276 39.348 38.000 0.120 0.000 1.289 425 I HN 0.899 nan 8.210 nan 0.000 0.441 426 G N 6.628 115.224 108.800 -0.340 0.000 2.400 426 G HA2 0.783 4.742 3.960 -0.000 0.000 0.333 426 G HA3 0.783 4.742 3.960 -0.000 0.000 0.333 426 G C -0.876 173.652 174.900 -0.620 0.000 1.143 426 G CA -0.419 44.316 45.100 -0.609 0.000 0.914 426 G HN 0.469 nan 8.290 nan 0.000 0.480 427 I N 0.478 121.011 120.570 -0.060 0.000 2.466 427 I HA 0.272 4.441 4.170 -0.000 0.000 0.289 427 I C -0.028 176.266 176.117 0.295 0.000 1.026 427 I CA -0.685 60.700 61.300 0.142 0.000 1.078 427 I CB 2.500 40.579 38.000 0.132 0.000 1.249 427 I HN 0.527 nan 8.210 nan 0.000 0.429 428 E N 7.662 128.098 120.200 0.393 0.000 2.152 428 E HA 0.350 4.700 4.350 -0.000 0.000 0.285 428 E C -1.121 175.587 176.600 0.180 0.000 1.043 428 E CA -0.471 56.121 56.400 0.320 0.000 0.839 428 E CB 0.793 30.710 29.700 0.362 0.000 1.069 428 E HN 0.553 nan 8.360 nan 0.000 0.399 429 M N 5.002 124.622 119.600 0.035 0.000 2.103 429 M HA 0.236 4.716 4.480 -0.000 0.000 0.350 429 M C -0.845 175.183 176.300 -0.454 0.000 1.100 429 M CA -0.778 54.455 55.300 -0.110 0.000 1.042 429 M CB 1.541 34.106 32.600 -0.059 0.000 1.368 429 M HN 0.217 nan 8.290 nan 0.000 0.404 430 V N 3.482 122.976 119.914 -0.699 0.000 2.583 430 V HA 0.112 4.232 4.120 -0.000 0.000 0.287 430 V C 0.376 175.920 176.094 -0.917 0.000 1.051 430 V CA -0.426 61.232 62.300 -1.070 0.000 1.010 430 V CB 0.539 31.158 31.823 -2.007 0.000 0.988 430 V HN 0.609 nan 8.190 nan 0.000 0.478 431 H N 3.340 122.084 119.070 -0.544 0.000 2.820 431 H HA 0.308 4.864 4.556 -0.000 0.000 0.278 431 H C -0.733 174.207 175.328 -0.646 0.000 1.142 431 H CA -0.478 55.276 56.048 -0.489 0.000 1.346 431 H CB 0.837 30.329 29.762 -0.451 0.000 1.438 431 H HN 0.565 nan 8.280 nan 0.000 0.473 432 D N 2.202 122.392 120.400 -0.350 0.000 2.440 432 D HA 0.254 4.893 4.640 -0.000 0.000 0.239 432 D C 0.706 176.929 176.300 -0.128 0.000 1.084 432 D CA -0.624 53.273 54.000 -0.172 0.000 0.843 432 D CB 1.090 41.931 40.800 0.068 0.000 1.097 432 D HN 0.730 nan 8.370 nan 0.000 0.531 433 G N 2.008 110.697 108.800 -0.185 0.000 4.100 433 G HA2 0.549 4.509 3.960 -0.000 0.000 0.294 433 G HA3 0.549 4.509 3.960 -0.000 0.000 0.294 433 G C 0.638 175.477 174.900 -0.102 0.000 1.040 433 G CA 0.092 45.093 45.100 -0.164 0.000 0.829 433 G HN 0.864 nan 8.290 nan 0.000 0.505 434 G N 0.973 109.746 108.800 -0.045 0.000 2.685 434 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.387 434 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.387 434 G C 0.683 175.541 174.900 -0.071 0.000 1.324 434 G CA 0.012 45.087 45.100 -0.042 0.000 0.878 434 G HN 0.827 nan 8.290 nan 0.000 0.527 435 K N -0.572 119.789 120.400 -0.064 0.000 2.487 435 K HA 0.248 4.567 4.320 -0.000 0.000 0.192 435 K C 1.088 177.676 176.600 -0.019 0.000 1.027 435 K CA 1.330 57.580 56.287 -0.062 0.000 1.054 435 K CB 0.338 32.804 32.500 -0.057 0.000 0.824 435 K HN 0.310 nan 8.250 nan 0.000 0.510 436 E N 1.115 121.306 120.200 -0.015 0.000 2.489 436 E HA 0.038 4.387 4.350 -0.000 0.000 0.193 436 E C 0.025 176.653 176.600 0.046 0.000 1.057 436 E CA 0.345 56.754 56.400 0.016 0.000 0.866 436 E CB 0.718 30.422 29.700 0.006 0.000 0.916 436 E HN 0.315 nan 8.360 nan 0.000 0.500 437 T N -0.658 113.899 114.554 0.005 0.000 2.754 437 T HA 0.314 4.663 4.350 -0.000 0.000 0.296 437 T C -1.226 173.403 174.700 -0.118 0.000 1.205 437 T CA -0.997 61.092 62.100 -0.019 0.000 1.009 437 T CB 0.629 69.374 68.868 -0.206 0.000 1.368 437 T HN 0.184 nan 8.240 nan 0.000 0.509 438 W N 2.241 123.261 121.300 -0.467 0.000 2.170 438 W HA 0.355 5.014 4.660 -0.000 0.000 0.342 438 W C -0.506 175.884 176.519 -0.215 0.000 1.294 438 W CA -0.299 56.735 57.345 -0.519 0.000 1.246 438 W CB -0.351 28.468 29.460 -1.069 0.000 1.156 438 W HN 0.646 nan 8.180 nan 0.000 0.572 439 H N 1.956 121.013 119.070 -0.022 0.000 2.970 439 H HA 0.343 4.899 4.556 -0.000 0.000 0.315 439 H C -1.202 174.161 175.328 0.058 0.000 0.992 439 H CA 0.000 55.981 56.048 -0.112 0.000 1.363 439 H CB 1.779 31.474 29.762 -0.113 0.000 1.532 439 H HN 0.526 nan 8.280 nan 0.000 0.514 440 S N 2.857 118.490 115.700 -0.112 0.000 2.880 440 S HA 0.895 5.364 4.470 -0.000 0.000 0.308 440 S C -1.597 172.970 174.600 -0.055 0.000 1.195 440 S CA 0.023 58.238 58.200 0.025 0.000 0.866 440 S CB 1.774 65.026 63.200 0.088 0.000 1.254 440 S HN 0.813 nan 8.310 nan 0.000 0.571 441 A N 0.150 123.051 122.820 0.135 0.000 2.574 441 A HA 0.874 5.193 4.320 -0.000 0.000 0.297 441 A C -0.597 177.105 177.584 0.196 0.000 1.062 441 A CA -0.103 51.908 52.037 -0.044 0.000 0.686 441 A CB 1.011 19.939 19.000 -0.119 0.000 1.285 441 A HN 1.340 nan 8.150 nan 0.000 0.403 442 A N 0.297 123.163 122.820 0.077 0.000 2.256 442 A HA 0.882 5.202 4.320 -0.000 0.000 0.318 442 A C 0.016 177.696 177.584 0.160 0.000 1.103 442 A CA -0.344 51.804 52.037 0.185 0.000 0.860 442 A CB 0.661 19.764 19.000 0.171 0.000 1.182 442 A HN 1.043 nan 8.150 nan 0.000 0.501 443 T N 1.023 115.691 114.554 0.190 0.000 2.890 443 T HA 0.605 4.955 4.350 -0.000 0.000 0.295 443 T C -0.358 174.428 174.700 0.143 0.000 0.993 443 T CA 0.087 62.313 62.100 0.210 0.000 0.979 443 T CB 1.251 70.254 68.868 0.224 0.000 0.967 443 T HN 1.086 nan 8.240 nan 0.000 0.441 444 A N 3.676 126.599 122.820 0.172 0.000 2.292 444 A HA 0.830 5.149 4.320 -0.000 0.000 0.319 444 A C -0.509 177.202 177.584 0.213 0.000 1.206 444 A CA -0.588 51.556 52.037 0.179 0.000 0.835 444 A CB 0.102 19.246 19.000 0.239 0.000 1.164 444 A HN 0.781 nan 8.150 nan 0.000 0.505 445 I N 1.829 122.498 120.570 0.164 0.000 2.406 445 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 445 I C -1.104 175.071 176.117 0.097 0.000 0.999 445 I CA -0.007 61.409 61.300 0.193 0.000 1.124 445 I CB 1.449 39.559 38.000 0.182 0.000 1.289 445 I HN 0.611 nan 8.210 nan 0.000 0.441 446 Y N 4.391 124.735 120.300 0.073 0.000 2.361 446 Y HA 0.623 5.173 4.550 -0.000 0.000 0.337 446 Y C -0.335 175.491 175.900 -0.122 0.000 0.965 446 Y CA -0.488 57.650 58.100 0.064 0.000 1.091 446 Y CB 1.926 40.505 38.460 0.198 0.000 1.182 446 Y HN 0.501 nan 8.280 nan 0.000 0.450 447 c N 3.290 121.715 118.600 -0.291 0.000 2.707 447 c HA 0.461 5.031 4.570 -0.000 0.000 0.313 447 c C -0.376 173.014 174.090 -1.167 0.000 1.209 447 c CA -1.191 54.651 56.329 -0.811 0.000 1.635 447 c CB 1.647 43.870 42.510 -0.479 0.000 2.206 447 c HN 0.764 nan 8.230 nan 0.000 0.485 448 L N 3.916 124.146 121.223 -1.655 0.000 2.534 448 L HA 0.431 4.771 4.340 -0.000 0.000 0.271 448 L C -0.088 176.509 176.870 -0.456 0.000 1.178 448 L CA 1.257 55.501 54.840 -0.993 0.000 0.907 448 L CB -0.117 41.486 42.059 -0.760 0.000 1.164 448 L HN 0.794 nan 8.230 nan 0.000 0.482 449 M N 4.687 124.131 119.600 -0.260 0.000 2.298 449 M HA 0.649 5.129 4.480 -0.000 0.000 0.255 449 M C 0.053 176.315 176.300 -0.063 0.000 1.021 449 M CA -0.175 55.038 55.300 -0.145 0.000 0.968 449 M CB 1.097 33.609 32.600 -0.146 0.000 2.037 449 M HN 0.796 nan 8.290 nan 0.000 0.478 450 G N 2.726 111.504 108.800 -0.037 0.000 2.645 450 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.239 450 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.239 450 G C -0.507 174.409 174.900 0.027 0.000 1.331 450 G CA -0.057 45.040 45.100 -0.006 0.000 0.890 450 G HN 1.721 nan 8.290 nan 0.000 0.572 451 S N -0.986 114.734 115.700 0.033 0.000 2.726 451 S HA 1.030 5.500 4.470 -0.000 0.000 0.308 451 S C 0.979 175.615 174.600 0.060 0.000 1.115 451 S CA 0.680 58.913 58.200 0.056 0.000 0.965 451 S CB 1.667 64.891 63.200 0.041 0.000 1.145 451 S HN 3.032 nan 8.310 nan 0.000 0.532 452 G N 0.269 109.113 108.800 0.074 0.000 2.475 452 G HA2 0.083 4.043 3.960 -0.000 0.000 0.223 452 G HA3 0.083 4.043 3.960 -0.000 0.000 0.223 452 G C -1.374 173.585 174.900 0.098 0.000 1.201 452 G CA -0.039 45.102 45.100 0.069 0.000 0.962 452 G HN 1.236 nan 8.290 nan 0.000 0.586 453 Q N -0.404 119.450 119.800 0.091 0.000 2.433 453 Q HA 0.705 5.045 4.340 -0.000 0.000 0.279 453 Q C -0.244 175.830 176.000 0.123 0.000 1.105 453 Q CA -1.080 54.791 55.803 0.113 0.000 0.815 453 Q CB 2.370 31.162 28.738 0.090 0.000 1.403 453 Q HN 1.238 nan 8.270 nan 0.000 0.435 454 L N 1.751 123.065 121.223 0.152 0.000 2.513 454 L HA -0.095 4.245 4.340 -0.000 0.000 0.272 454 L C 0.038 177.012 176.870 0.174 0.000 1.187 454 L CA -0.074 54.877 54.840 0.185 0.000 0.895 454 L CB 0.272 42.446 42.059 0.192 0.000 1.147 454 L HN 0.578 nan 8.230 nan 0.000 0.483 455 L N 5.313 126.654 121.223 0.196 0.000 2.388 455 L HA 0.244 4.583 4.340 -0.000 0.000 0.209 455 L C -0.216 176.859 176.870 0.342 0.000 1.061 455 L CA 0.802 55.747 54.840 0.175 0.000 0.834 455 L CB -0.401 41.688 42.059 0.050 0.000 1.029 455 L HN 0.598 nan 8.230 nan 0.000 0.473 456 W N 0.786 122.168 121.300 0.136 0.000 3.127 456 W HA 0.318 4.978 4.660 -0.000 0.000 0.330 456 W C -0.473 176.175 176.519 0.215 0.000 1.187 456 W CA -1.719 55.703 57.345 0.129 0.000 1.198 456 W CB 1.141 30.647 29.460 0.077 0.000 1.408 456 W HN 0.039 nan 8.180 nan 0.000 0.529 457 D N 0.740 121.226 120.400 0.144 0.000 2.423 457 D HA 0.466 5.106 4.640 -0.000 0.000 0.255 457 D C -0.666 175.652 176.300 0.031 0.000 1.174 457 D CA -0.181 53.882 54.000 0.106 0.000 1.008 457 D CB 1.241 42.037 40.800 -0.007 0.000 1.101 457 D HN 0.099 nan 8.370 nan 0.000 0.516 458 T N -0.125 114.493 114.554 0.107 0.000 2.807 458 T HA 0.473 4.822 4.350 -0.000 0.000 0.279 458 T C -0.016 174.685 174.700 0.003 0.000 0.993 458 T CA -0.805 61.330 62.100 0.058 0.000 0.970 458 T CB 1.297 70.274 68.868 0.182 0.000 0.950 458 T HN 0.470 nan 8.240 nan 0.000 0.441 459 V N 1.016 120.903 119.914 -0.045 0.000 2.630 459 V HA 0.633 4.753 4.120 -0.000 0.000 0.305 459 V C 1.329 177.430 176.094 0.011 0.000 1.046 459 V CA -0.423 61.862 62.300 -0.024 0.000 0.934 459 V CB 1.224 33.011 31.823 -0.059 0.000 1.003 459 V HN 0.952 nan 8.190 nan 0.000 0.451 460 T N -0.497 114.084 114.554 0.044 0.000 2.951 460 T HA 0.151 4.501 4.350 -0.000 0.000 0.268 460 T C 1.707 176.444 174.700 0.061 0.000 1.073 460 T CA 1.464 63.621 62.100 0.095 0.000 1.134 460 T CB -0.597 68.402 68.868 0.219 0.000 0.884 460 T HN 2.532 nan 8.240 nan 0.000 0.479 461 G N 0.528 109.346 108.800 0.030 0.000 2.168 461 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.263 461 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.263 461 G C 0.107 175.009 174.900 0.002 0.000 0.977 461 G CA 0.175 45.275 45.100 -0.001 0.000 0.659 461 G HN 0.770 nan 8.290 nan 0.000 0.533 462 V N 1.258 121.200 119.914 0.046 0.000 2.432 462 V HA 0.465 4.584 4.120 -0.000 0.000 0.275 462 V C -0.017 176.098 176.094 0.036 0.000 1.043 462 V CA -0.564 61.749 62.300 0.022 0.000 0.925 462 V CB 1.786 33.598 31.823 -0.018 0.000 0.985 462 V HN 0.331 nan 8.190 nan 0.000 0.466 463 D N 4.818 125.233 120.400 0.024 0.000 2.359 463 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 463 D C 0.793 177.132 176.300 0.065 0.000 1.118 463 D CA -0.308 53.711 54.000 0.032 0.000 0.844 463 D CB 1.512 42.325 40.800 0.023 0.000 1.059 463 D HN 0.475 nan 8.370 nan 0.000 0.493 464 M N 2.486 122.107 119.600 0.035 0.000 2.557 464 M HA -0.036 4.444 4.480 -0.000 0.000 0.259 464 M C 1.694 178.045 176.300 0.085 0.000 1.086 464 M CA 0.426 55.750 55.300 0.041 0.000 1.096 464 M CB 0.211 32.659 32.600 -0.253 0.000 1.424 464 M HN 0.445 nan 8.290 nan 0.000 0.488 465 A N 0.362 123.217 122.820 0.058 0.000 2.119 465 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 465 A C 1.157 178.799 177.584 0.096 0.000 1.152 465 A CA 0.352 52.428 52.037 0.065 0.000 0.708 465 A CB -0.192 18.828 19.000 0.035 0.000 0.805 465 A HN 0.346 nan 8.150 nan 0.000 0.460 466 L N 0.000 121.284 121.223 0.102 0.000 2.949 466 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 466 L CA 0.000 54.889 54.840 0.083 0.000 0.813 466 L CB 0.000 42.090 42.059 0.052 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502