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 2qdp_1_A DATA FIRST_RESID 44 DATA SEQUENCE NTPREVTLHF LRTAGHPLTR WALQRQPPSP KQLEEEFLKI PSNFVSPEDL DATA SEQUENCE DIPGHASKDR YKTILPNPQS RVCLGRAQSQ EDGDYINANY IRGYDGKEKV DATA SEQUENCE YIATQGPMPN TVSDFWEMVW QEEVSLIVML TQLREGKEKC VHYWPTEEET DATA SEQUENCE YGPFQIRIQD MKECPEYTVR QLTIQYQEER RSVKHILFSA WPDHQTPESA DATA SEQUENCE GPLLRLVAEV EESPETAAHP GPIVVHSSAG IGRTGCFIAT RIGCQQLKAR DATA SEQUENCE GEVDILGIVC QLRLDRGGMI QTAEQYQFLH HTLALYAGQL PE 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 44 N HA 0.000 nan 4.740 nan 0.000 0.220 44 N C 0.000 175.508 175.510 -0.003 0.000 1.280 44 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 44 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 45 T N 0.769 115.325 114.554 0.003 0.000 3.933 45 T HA 0.349 4.698 4.350 -0.002 0.000 0.357 45 T C -2.470 172.236 174.700 0.009 0.000 1.077 45 T CA -0.493 61.610 62.100 0.005 0.000 1.082 45 T CB 1.654 70.526 68.868 0.007 0.000 1.158 45 T HN 0.171 nan 8.240 nan 0.000 0.472 46 P HA -0.268 nan 4.420 nan 0.000 0.229 46 P C 1.479 178.785 177.300 0.010 0.000 1.147 46 P CA 1.712 64.814 63.100 0.003 0.000 0.949 46 P CB 0.104 31.804 31.700 0.000 0.000 0.786 47 R N -0.455 120.054 120.500 0.015 0.000 2.062 47 R HA -0.122 4.217 4.340 -0.002 0.000 0.231 47 R C 2.404 178.724 176.300 0.035 0.000 1.136 47 R CA 1.786 57.899 56.100 0.021 0.000 0.948 47 R CB -0.559 29.753 30.300 0.021 0.000 0.845 47 R HN 0.050 nan 8.270 nan 0.000 0.430 48 E N -0.614 119.606 120.200 0.033 0.000 2.118 48 E HA -0.153 4.196 4.350 -0.002 0.000 0.195 48 E C 1.938 178.583 176.600 0.076 0.000 0.992 48 E CA 1.296 57.723 56.400 0.045 0.000 0.804 48 E CB -0.605 29.109 29.700 0.024 0.000 0.741 48 E HN 0.287 nan 8.360 nan 0.000 0.458 49 V N 0.748 120.700 119.914 0.063 0.000 2.591 49 V HA -0.188 3.931 4.120 -0.002 0.000 0.249 49 V C 2.422 178.594 176.094 0.130 0.000 1.053 49 V CA 2.135 64.494 62.300 0.098 0.000 1.068 49 V CB -0.624 31.234 31.823 0.059 0.000 0.689 49 V HN 0.487 nan 8.190 nan 0.000 0.462 50 T N 0.666 115.264 114.554 0.072 0.000 2.622 50 T HA -0.190 4.159 4.350 -0.002 0.000 0.266 50 T C 1.849 176.619 174.700 0.117 0.000 1.047 50 T CA 1.912 64.047 62.100 0.059 0.000 1.159 50 T CB -0.338 68.533 68.868 0.004 0.000 0.863 50 T HN 0.312 nan 8.240 nan 0.000 0.422 51 L N 0.060 121.339 121.223 0.094 0.000 2.042 51 L HA -0.187 4.152 4.340 -0.002 0.000 0.210 51 L C 2.579 179.515 176.870 0.110 0.000 1.076 51 L CA 1.809 56.701 54.840 0.087 0.000 0.749 51 L CB -0.686 41.414 42.059 0.069 0.000 0.893 51 L HN 0.364 nan 8.230 nan 0.000 0.432 52 H N -0.365 118.743 119.070 0.062 0.000 2.319 52 H HA -0.259 4.296 4.556 -0.002 0.000 0.299 52 H C 2.002 177.362 175.328 0.054 0.000 1.092 52 H CA 1.937 58.013 56.048 0.046 0.000 1.302 52 H CB -0.253 29.535 29.762 0.043 0.000 1.373 52 H HN 0.230 nan 8.280 nan 0.000 0.497 53 F N 0.623 120.552 119.950 -0.036 0.000 2.043 53 F HA -0.240 4.285 4.527 -0.002 0.000 0.297 53 F C 2.168 177.896 175.800 -0.120 0.000 1.121 53 F CA 1.905 59.851 58.000 -0.089 0.000 1.199 53 F CB -0.492 38.484 39.000 -0.040 0.000 0.968 53 F HN 0.157 nan 8.300 nan 0.000 0.478 54 L N -0.216 121.115 121.223 0.180 0.000 2.191 54 L HA -0.178 4.161 4.340 -0.002 0.000 0.212 54 L C 2.377 179.202 176.870 -0.074 0.000 1.103 54 L CA 1.224 56.112 54.840 0.080 0.000 0.769 54 L CB -0.602 41.511 42.059 0.090 0.000 0.908 54 L HN 0.110 nan 8.230 nan 0.000 0.438 55 R N -0.820 119.607 120.500 -0.122 0.000 2.246 55 R HA -0.018 4.321 4.340 -0.002 0.000 0.199 55 R C 1.968 178.138 176.300 -0.217 0.000 0.984 55 R CA 1.453 57.471 56.100 -0.136 0.000 1.015 55 R CB 0.008 30.251 30.300 -0.096 0.000 0.930 55 R HN 0.491 nan 8.270 nan 0.000 0.475 56 T N -3.389 110.952 114.554 -0.354 0.000 2.964 56 T HA 0.313 4.662 4.350 -0.002 0.000 0.250 56 T C 0.861 175.347 174.700 -0.356 0.000 0.982 56 T CA -0.005 61.879 62.100 -0.360 0.000 0.959 56 T CB 0.254 68.824 68.868 -0.498 0.000 1.141 56 T HN 0.088 nan 8.240 nan 0.000 0.494 57 A N 0.883 123.381 122.820 -0.537 0.000 2.561 57 A HA 0.606 4.925 4.320 -0.002 0.000 0.234 57 A C 0.743 178.176 177.584 -0.252 0.000 1.055 57 A CA 0.440 52.146 52.037 -0.552 0.000 0.756 57 A CB -0.566 17.798 19.000 -1.060 0.000 0.986 57 A HN 1.085 nan 8.150 nan 0.000 0.505 58 G N -0.319 108.399 108.800 -0.136 0.000 2.673 58 G HA2 0.544 4.503 3.960 -0.002 0.000 0.292 58 G HA3 0.544 4.503 3.960 -0.002 0.000 0.292 58 G C -1.204 173.760 174.900 0.107 0.000 1.450 58 G CA -0.369 44.726 45.100 -0.009 0.000 0.837 58 G HN 1.147 nan 8.290 nan 0.000 0.505 59 H N 1.190 120.272 119.070 0.020 0.000 2.734 59 H HA 0.320 4.875 4.556 -0.002 0.000 0.247 59 H C -2.809 172.546 175.328 0.045 0.000 1.415 59 H CA -1.305 54.772 56.048 0.049 0.000 1.514 59 H CB 1.791 31.612 29.762 0.098 0.000 1.841 59 H HN 0.309 nan 8.280 nan 0.000 0.609 60 P HA 0.100 nan 4.420 nan 0.000 0.268 60 P C -0.719 176.573 177.300 -0.014 0.000 1.205 60 P CA 0.054 63.176 63.100 0.037 0.000 0.771 60 P CB 1.117 32.848 31.700 0.052 0.000 0.858 61 L N 2.027 123.218 121.223 -0.055 0.000 2.409 61 L HA 0.412 4.751 4.340 -0.002 0.000 0.272 61 L C 0.690 177.559 176.870 -0.002 0.000 0.980 61 L CA -0.723 54.084 54.840 -0.056 0.000 0.826 61 L CB 2.049 44.031 42.059 -0.130 0.000 1.268 61 L HN 0.339 nan 8.230 nan 0.000 0.407 62 T N -1.553 113.033 114.554 0.053 0.000 2.860 62 T HA 0.223 4.572 4.350 -0.002 0.000 0.299 62 T C 1.268 176.009 174.700 0.069 0.000 1.045 62 T CA -0.501 61.645 62.100 0.078 0.000 1.071 62 T CB 1.111 70.062 68.868 0.139 0.000 0.985 62 T HN 0.572 nan 8.240 nan 0.000 0.537 63 R N -0.095 120.441 120.500 0.060 0.000 2.165 63 R HA -0.206 4.133 4.340 -0.002 0.000 0.254 63 R C 2.015 178.350 176.300 0.058 0.000 1.153 63 R CA 2.440 58.564 56.100 0.039 0.000 0.971 63 R CB -0.497 29.827 30.300 0.040 0.000 0.878 63 R HN 0.880 nan 8.270 nan 0.000 0.449 64 W N 0.434 121.713 121.300 -0.034 0.000 2.378 64 W HA -0.118 4.541 4.660 -0.002 0.000 0.313 64 W C 2.310 178.812 176.519 -0.027 0.000 1.197 64 W CA 1.700 59.027 57.345 -0.030 0.000 1.304 64 W CB -0.363 29.084 29.460 -0.023 0.000 1.148 64 W HN 0.101 nan 8.180 nan 0.000 0.494 65 A N 0.169 123.093 122.820 0.174 0.000 1.933 65 A HA -0.182 4.137 4.320 -0.002 0.000 0.218 65 A C 1.902 179.378 177.584 -0.179 0.000 1.175 65 A CA 1.710 53.738 52.037 -0.016 0.000 0.628 65 A CB -1.163 17.939 19.000 0.171 0.000 0.814 65 A HN 0.406 nan 8.150 nan 0.000 0.444 66 L N -0.165 120.987 121.223 -0.119 0.000 1.970 66 L HA -0.243 4.096 4.340 -0.002 0.000 0.212 66 L C 2.587 179.341 176.870 -0.192 0.000 1.071 66 L CA 2.514 57.277 54.840 -0.129 0.000 0.751 66 L CB -0.886 41.113 42.059 -0.100 0.000 0.889 66 L HN 0.518 nan 8.230 nan 0.000 0.432 67 Q N -1.265 118.392 119.800 -0.239 0.000 2.016 67 Q HA -0.113 4.226 4.340 -0.002 0.000 0.200 67 Q C 1.851 177.626 176.000 -0.375 0.000 0.978 67 Q CA 1.469 57.108 55.803 -0.273 0.000 0.833 67 Q CB -0.009 28.582 28.738 -0.245 0.000 0.895 67 Q HN 0.373 nan 8.270 nan 0.000 0.427 68 R N -0.631 119.477 120.500 -0.653 0.000 2.397 68 R HA 0.177 4.516 4.340 -0.002 0.000 0.241 68 R C 0.233 176.117 176.300 -0.693 0.000 0.914 68 R CA 0.212 55.840 56.100 -0.786 0.000 1.071 68 R CB 0.965 30.485 30.300 -1.300 0.000 1.116 68 R HN 0.212 nan 8.270 nan 0.000 0.524 69 Q N 0.844 120.312 119.800 -0.553 0.000 3.311 69 Q HA 0.174 4.513 4.340 -0.002 0.000 0.254 69 Q C -2.625 173.284 176.000 -0.152 0.000 0.716 69 Q CA -0.997 54.629 55.803 -0.295 0.000 0.965 69 Q CB 1.503 30.087 28.738 -0.256 0.000 1.538 69 Q HN -0.020 nan 8.270 nan 0.000 0.372 70 P HA 0.251 nan 4.420 nan 0.000 0.273 70 P C -2.546 174.734 177.300 -0.033 0.000 1.250 70 P CA -0.980 62.077 63.100 -0.072 0.000 0.793 70 P CB 0.058 31.716 31.700 -0.070 0.000 1.011 71 P HA 0.055 nan 4.420 nan 0.000 0.272 71 P C 0.166 177.458 177.300 -0.014 0.000 1.223 71 P CA -0.033 63.087 63.100 0.032 0.000 0.784 71 P CB 0.081 31.845 31.700 0.106 0.000 0.923 72 S N 1.989 117.697 115.700 0.013 0.000 2.584 72 S HA 0.161 4.630 4.470 -0.002 0.000 0.270 72 S C -1.689 172.905 174.600 -0.010 0.000 1.346 72 S CA -0.706 57.494 58.200 -0.000 0.000 1.018 72 S CB -0.121 63.089 63.200 0.016 0.000 0.899 72 S HN 0.245 nan 8.310 nan 0.000 0.542 73 P HA -0.118 nan 4.420 nan 0.000 0.216 73 P C 1.432 178.744 177.300 0.019 0.000 1.150 73 P CA 1.186 64.279 63.100 -0.011 0.000 0.843 73 P CB 0.032 31.729 31.700 -0.005 0.000 0.787 74 K N 0.249 120.665 120.400 0.025 0.000 2.020 74 K HA -0.217 4.102 4.320 -0.002 0.000 0.212 74 K C 2.188 178.822 176.600 0.057 0.000 1.050 74 K CA 1.836 58.147 56.287 0.039 0.000 0.929 74 K CB -0.889 31.631 32.500 0.033 0.000 0.714 74 K HN 0.104 nan 8.250 nan 0.000 0.443 75 Q N 0.004 119.839 119.800 0.058 0.000 2.030 75 Q HA -0.148 4.191 4.340 -0.002 0.000 0.204 75 Q C 2.198 178.274 176.000 0.126 0.000 0.986 75 Q CA 1.966 57.821 55.803 0.086 0.000 0.843 75 Q CB -0.301 28.494 28.738 0.094 0.000 0.904 75 Q HN 0.273 nan 8.270 nan 0.000 0.420 76 L N 0.752 122.036 121.223 0.101 0.000 2.021 76 L HA -0.288 4.051 4.340 -0.002 0.000 0.215 76 L C 2.313 179.337 176.870 0.257 0.000 1.074 76 L CA 1.549 56.492 54.840 0.171 0.000 0.760 76 L CB -0.638 41.404 42.059 -0.029 0.000 0.889 76 L HN 0.337 nan 8.230 nan 0.000 0.433 77 E N -0.031 120.266 120.200 0.162 0.000 2.031 77 E HA -0.257 4.092 4.350 -0.002 0.000 0.193 77 E C 2.139 178.837 176.600 0.164 0.000 0.994 77 E CA 1.383 57.884 56.400 0.168 0.000 0.800 77 E CB -0.111 29.653 29.700 0.106 0.000 0.752 77 E HN 0.483 nan 8.360 nan 0.000 0.447 78 E N 0.589 120.858 120.200 0.115 0.000 2.118 78 E HA -0.233 4.116 4.350 -0.002 0.000 0.195 78 E C 2.081 178.731 176.600 0.084 0.000 0.992 78 E CA 1.044 57.493 56.400 0.081 0.000 0.804 78 E CB 0.044 29.782 29.700 0.063 0.000 0.741 78 E HN 0.228 nan 8.360 nan 0.000 0.458 79 E N -0.176 120.109 120.200 0.141 0.000 2.051 79 E HA -0.209 4.140 4.350 -0.002 0.000 0.192 79 E C 1.860 178.498 176.600 0.063 0.000 0.991 79 E CA 0.913 57.409 56.400 0.160 0.000 0.799 79 E CB -0.139 29.736 29.700 0.292 0.000 0.748 79 E HN 0.225 nan 8.360 nan 0.000 0.449 80 F N 1.318 121.175 119.950 -0.154 0.000 2.171 80 F HA -0.132 4.393 4.527 -0.002 0.000 0.300 80 F C 1.871 177.542 175.800 -0.216 0.000 1.090 80 F CA 1.180 58.943 58.000 -0.396 0.000 1.293 80 F CB -0.118 38.631 39.000 -0.418 0.000 1.013 80 F HN 0.013 nan 8.300 nan 0.000 0.486 81 L N -0.007 121.112 121.223 -0.173 0.000 2.191 81 L HA -0.206 4.133 4.340 -0.002 0.000 0.212 81 L C 2.230 178.920 176.870 -0.301 0.000 1.103 81 L CA 1.318 56.014 54.840 -0.240 0.000 0.769 81 L CB -0.598 41.419 42.059 -0.069 0.000 0.908 81 L HN 0.087 nan 8.230 nan 0.000 0.438 82 K N 0.096 120.344 120.400 -0.253 0.000 2.366 82 K HA 0.070 4.389 4.320 -0.002 0.000 0.198 82 K C 0.553 176.778 176.600 -0.625 0.000 1.044 82 K CA 0.295 56.386 56.287 -0.328 0.000 0.973 82 K CB 0.100 32.512 32.500 -0.147 0.000 0.767 82 K HN 0.256 nan 8.250 nan 0.000 0.475 83 I N 3.339 123.600 120.570 -0.515 0.000 2.452 83 I HA 0.062 4.231 4.170 -0.002 0.000 0.287 83 I C -2.182 173.634 176.117 -0.502 0.000 1.079 83 I CA -2.167 58.841 61.300 -0.487 0.000 1.387 83 I CB 0.378 38.170 38.000 -0.348 0.000 1.404 83 I HN -0.159 nan 8.210 nan 0.000 0.522 84 P HA 0.078 nan 4.420 nan 0.000 0.272 84 P C 0.534 177.643 177.300 -0.317 0.000 1.230 84 P CA -0.380 62.514 63.100 -0.343 0.000 0.788 84 P CB 0.838 32.386 31.700 -0.253 0.000 0.949 85 S N 0.918 116.416 115.700 -0.336 0.000 2.388 85 S HA -0.088 4.381 4.470 -0.002 0.000 0.223 85 S C 1.049 175.322 174.600 -0.545 0.000 1.034 85 S CA 0.981 58.859 58.200 -0.536 0.000 0.963 85 S CB -1.040 61.771 63.200 -0.649 0.000 0.827 85 S HN 0.550 nan 8.310 nan 0.000 0.481 86 N N -0.335 118.172 118.700 -0.320 0.000 2.818 86 N HA -0.143 4.596 4.740 -0.002 0.000 0.250 86 N C -1.009 174.423 175.510 -0.130 0.000 1.108 86 N CA 0.399 53.347 53.050 -0.169 0.000 0.745 86 N CB -2.504 35.908 38.487 -0.125 0.000 1.104 86 N HN 0.406 nan 8.380 nan 0.000 0.557 87 F N -0.234 119.706 119.950 -0.017 0.000 2.589 87 F HA 0.186 4.712 4.527 -0.001 0.000 0.352 87 F C 1.471 177.270 175.800 -0.002 0.000 1.168 87 F CA -0.067 57.929 58.000 -0.006 0.000 1.353 87 F CB 0.247 39.243 39.000 -0.006 0.000 1.116 87 F HN -0.018 nan 8.300 nan 0.000 0.608 88 V N -0.568 119.491 119.914 0.241 0.000 2.732 88 V HA 0.726 4.845 4.120 -0.002 0.000 0.310 88 V C -0.173 175.977 176.094 0.093 0.000 1.053 88 V CA -1.167 61.206 62.300 0.122 0.000 0.957 88 V CB 1.139 33.009 31.823 0.079 0.000 1.018 88 V HN 0.780 nan 8.190 nan 0.000 0.452 89 S N 1.990 117.728 115.700 0.064 0.000 2.632 89 S HA 0.493 4.962 4.470 -0.002 0.000 0.271 89 S C -1.896 172.727 174.600 0.039 0.000 1.260 89 S CA -1.244 56.982 58.200 0.044 0.000 1.010 89 S CB 1.124 64.347 63.200 0.038 0.000 0.965 89 S HN 0.634 nan 8.310 nan 0.000 0.534 90 P HA 0.004 nan 4.420 nan 0.000 0.222 90 P C 1.271 178.611 177.300 0.067 0.000 1.147 90 P CA 0.660 63.805 63.100 0.076 0.000 0.790 90 P CB -0.116 31.632 31.700 0.081 0.000 0.780 91 E N -0.565 119.660 120.200 0.043 0.000 2.153 91 E HA -0.157 4.192 4.350 -0.002 0.000 0.194 91 E C 1.366 177.984 176.600 0.030 0.000 0.988 91 E CA 1.256 57.676 56.400 0.033 0.000 0.811 91 E CB -1.354 28.361 29.700 0.024 0.000 0.746 91 E HN 0.479 nan 8.360 nan 0.000 0.466 92 D N -0.473 119.945 120.400 0.029 0.000 2.363 92 D HA 0.086 4.725 4.640 -0.002 0.000 0.220 92 D C 0.171 176.481 176.300 0.017 0.000 0.994 92 D CA 0.439 54.454 54.000 0.025 0.000 0.890 92 D CB 0.110 40.927 40.800 0.029 0.000 0.906 92 D HN 0.269 nan 8.370 nan 0.000 0.530 93 L N 1.271 122.499 121.223 0.008 0.000 2.324 93 L HA 0.201 4.540 4.340 -0.002 0.000 0.274 93 L C -0.122 176.762 176.870 0.023 0.000 1.012 93 L CA -0.695 54.135 54.840 -0.016 0.000 0.859 93 L CB 1.801 43.777 42.059 -0.139 0.000 1.224 93 L HN -0.328 nan 8.230 nan 0.000 0.429 94 D N 4.945 125.362 120.400 0.029 0.000 2.551 94 D HA 0.317 4.956 4.640 -0.002 0.000 0.223 94 D C -0.573 175.753 176.300 0.045 0.000 1.144 94 D CA 0.109 54.132 54.000 0.039 0.000 1.025 94 D CB -0.005 40.812 40.800 0.029 0.000 1.085 94 D HN 0.242 nan 8.370 nan 0.000 0.506 95 I N 3.702 124.319 120.570 0.079 0.000 2.447 95 I HA 0.318 4.487 4.170 -0.002 0.000 0.287 95 I C -2.211 173.937 176.117 0.051 0.000 1.023 95 I CA -2.057 59.281 61.300 0.062 0.000 1.083 95 I CB 2.244 40.246 38.000 0.003 0.000 1.245 95 I HN 0.057 nan 8.210 nan 0.000 0.434 96 P HA 0.328 nan 4.420 nan 0.000 0.285 96 P C 0.774 178.004 177.300 -0.116 0.000 1.259 96 P CA -0.044 63.013 63.100 -0.071 0.000 0.794 96 P CB 1.198 32.873 31.700 -0.043 0.000 0.940 97 G N 2.545 111.225 108.800 -0.200 0.000 2.179 97 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.260 97 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.260 97 G C 0.924 175.678 174.900 -0.244 0.000 0.977 97 G CA 0.835 45.821 45.100 -0.189 0.000 0.641 97 G HN 0.818 nan 8.290 nan 0.000 0.533 98 H N -0.737 118.141 119.070 -0.321 0.000 2.421 98 H HA 0.391 4.946 4.556 -0.002 0.000 0.298 98 H C 2.598 177.749 175.328 -0.294 0.000 1.087 98 H CA 1.964 57.644 56.048 -0.613 0.000 1.330 98 H CB -0.785 28.225 29.762 -1.254 0.000 1.388 98 H HN 0.764 nan 8.280 nan 0.000 0.526 99 A N 1.068 123.543 122.820 -0.574 0.000 1.958 99 A HA -0.272 4.047 4.320 -0.002 0.000 0.221 99 A C 2.627 180.158 177.584 -0.088 0.000 1.178 99 A CA 2.447 54.335 52.037 -0.249 0.000 0.642 99 A CB -1.233 17.590 19.000 -0.294 0.000 0.816 99 A HN 0.745 nan 8.150 nan 0.000 0.453 100 S N -0.861 114.782 115.700 -0.095 0.000 2.507 100 S HA -0.061 4.408 4.470 -0.002 0.000 0.235 100 S C 1.335 175.941 174.600 0.010 0.000 0.988 100 S CA 1.453 59.629 58.200 -0.041 0.000 0.944 100 S CB -0.177 62.998 63.200 -0.041 0.000 0.762 100 S HN 0.612 nan 8.310 nan 0.000 0.526 101 K N 0.879 121.320 120.400 0.069 0.000 2.373 101 K HA 0.268 4.587 4.320 -0.002 0.000 0.202 101 K C -0.830 175.880 176.600 0.183 0.000 1.025 101 K CA -0.094 56.286 56.287 0.155 0.000 1.115 101 K CB 0.491 33.173 32.500 0.303 0.000 0.858 101 K HN 0.348 nan 8.250 nan 0.000 0.525 102 D N 0.390 120.870 120.400 0.135 0.000 2.192 102 D HA 0.115 4.754 4.640 -0.002 0.000 0.246 102 D C 0.404 176.679 176.300 -0.042 0.000 1.042 102 D CA -0.258 53.804 54.000 0.103 0.000 0.847 102 D CB 1.956 42.856 40.800 0.166 0.000 1.186 102 D HN -0.067 nan 8.370 nan 0.000 0.461 103 R N 1.597 122.008 120.500 -0.150 0.000 2.115 103 R HA -0.056 4.283 4.340 -0.002 0.000 0.226 103 R C -0.252 175.690 176.300 -0.596 0.000 1.100 103 R CA 1.072 56.907 56.100 -0.441 0.000 0.980 103 R CB 0.244 30.164 30.300 -0.634 0.000 0.875 103 R HN 0.379 nan 8.270 nan 0.000 0.445 104 Y N -1.127 119.180 120.300 0.012 0.000 2.361 104 Y HA 0.305 4.854 4.550 -0.001 0.000 0.337 104 Y C 0.888 176.783 175.900 -0.008 0.000 0.965 104 Y CA -0.510 57.587 58.100 -0.006 0.000 1.091 104 Y CB 1.801 40.251 38.460 -0.017 0.000 1.182 104 Y HN -0.116 nan 8.280 nan 0.000 0.450 105 K N -0.122 120.352 120.400 0.123 0.000 2.209 105 K HA -0.113 4.206 4.320 -0.002 0.000 0.204 105 K C 1.391 178.018 176.600 0.045 0.000 1.048 105 K CA 2.214 58.542 56.287 0.067 0.000 0.940 105 K CB -1.079 31.441 32.500 0.033 0.000 0.729 105 K HN 0.824 nan 8.250 nan 0.000 0.451 106 T N -2.528 112.022 114.554 -0.006 0.000 3.060 106 T HA 0.364 4.713 4.350 -0.002 0.000 0.249 106 T C 0.654 175.212 174.700 -0.237 0.000 1.079 106 T CA -0.198 61.823 62.100 -0.133 0.000 1.013 106 T CB -0.251 68.478 68.868 -0.233 0.000 0.975 106 T HN 0.307 nan 8.240 nan 0.000 0.518 107 I N 2.568 123.085 120.570 -0.088 0.000 2.347 107 I HA 0.415 4.584 4.170 -0.002 0.000 0.283 107 I C -0.671 175.487 176.117 0.068 0.000 1.058 107 I CA -0.636 60.637 61.300 -0.045 0.000 1.202 107 I CB 0.831 38.855 38.000 0.039 0.000 1.386 107 I HN 0.102 nan 8.210 nan 0.000 0.475 108 L N 7.778 129.046 121.223 0.075 0.000 2.354 108 L HA 0.623 4.962 4.340 -0.002 0.000 0.269 108 L C -2.396 174.525 176.870 0.086 0.000 1.005 108 L CA -2.020 52.868 54.840 0.080 0.000 0.819 108 L CB 2.457 44.534 42.059 0.029 0.000 1.311 108 L HN 0.264 nan 8.230 nan 0.000 0.423 109 P HA 0.129 nan 4.420 nan 0.000 0.281 109 P C -1.237 176.086 177.300 0.037 0.000 1.252 109 P CA -0.522 62.594 63.100 0.026 0.000 0.778 109 P CB 0.507 32.181 31.700 -0.043 0.000 0.895 110 N N 5.112 123.838 118.700 0.043 0.000 2.454 110 N HA 0.019 4.758 4.740 -0.002 0.000 0.260 110 N C -1.507 174.023 175.510 0.035 0.000 1.218 110 N CA -0.861 52.215 53.050 0.043 0.000 0.904 110 N CB -0.546 37.967 38.487 0.043 0.000 1.065 110 N HN 0.322 nan 8.380 nan 0.000 0.462 111 P HA -0.216 nan 4.420 nan 0.000 0.215 111 P C 0.948 178.276 177.300 0.048 0.000 1.157 111 P CA 1.451 64.574 63.100 0.040 0.000 0.868 111 P CB 0.134 31.856 31.700 0.037 0.000 0.788 112 Q N -0.091 119.738 119.800 0.048 0.000 2.437 112 Q HA -0.053 4.286 4.340 -0.002 0.000 0.210 112 Q C 1.260 177.308 176.000 0.080 0.000 0.972 112 Q CA 1.759 57.595 55.803 0.056 0.000 0.903 112 Q CB -1.187 27.578 28.738 0.045 0.000 0.967 112 Q HN 0.288 nan 8.270 nan 0.000 0.486 113 S N -1.446 114.305 115.700 0.085 0.000 2.900 113 S HA 0.230 4.699 4.470 -0.002 0.000 0.253 113 S C 0.304 174.952 174.600 0.079 0.000 1.029 113 S CA -0.837 57.449 58.200 0.143 0.000 1.096 113 S CB 0.122 63.396 63.200 0.123 0.000 1.067 113 S HN 0.356 nan 8.310 nan 0.000 0.610 114 R N 1.536 122.046 120.500 0.017 0.000 2.679 114 R HA 0.338 4.677 4.340 -0.002 0.000 0.268 114 R C -0.798 175.385 176.300 -0.194 0.000 1.044 114 R CA -0.131 55.915 56.100 -0.090 0.000 1.105 114 R CB 0.400 30.679 30.300 -0.035 0.000 0.989 114 R HN 0.151 nan 8.270 nan 0.000 0.447 115 V N 5.042 124.727 119.914 -0.383 0.000 2.432 115 V HA 0.108 4.227 4.120 -0.002 0.000 0.271 115 V C -0.046 175.934 176.094 -0.190 0.000 1.046 115 V CA -0.507 61.522 62.300 -0.451 0.000 0.945 115 V CB 0.831 32.310 31.823 -0.574 0.000 0.992 115 V HN 0.801 nan 8.190 nan 0.000 0.471 116 C N 6.704 125.976 119.300 -0.046 0.000 2.285 116 C HA 0.445 4.904 4.460 -0.002 0.000 0.335 116 C C 0.508 175.506 174.990 0.012 0.000 1.267 116 C CA -1.012 58.006 59.018 0.001 0.000 1.762 116 C CB -0.201 27.570 27.740 0.052 0.000 2.365 116 C HN 0.709 nan 8.230 nan 0.000 0.527 117 L N 3.779 125.004 121.223 0.003 0.000 2.407 117 L HA 0.220 4.559 4.340 -0.002 0.000 0.282 117 L C 1.558 178.459 176.870 0.051 0.000 1.110 117 L CA 0.222 55.078 54.840 0.026 0.000 0.863 117 L CB 0.246 42.321 42.059 0.025 0.000 1.207 117 L HN 1.053 nan 8.230 nan 0.000 0.454 118 G N 2.792 111.628 108.800 0.059 0.000 2.744 118 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.211 118 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.211 118 G C 0.998 175.933 174.900 0.058 0.000 1.143 118 G CA -0.276 44.860 45.100 0.060 0.000 0.788 118 G HN 0.679 nan 8.290 nan 0.000 0.534 119 R N -1.324 119.213 120.500 0.061 0.000 3.770 119 R HA -0.209 4.129 4.340 -0.002 0.000 0.305 119 R C 1.627 177.947 176.300 0.035 0.000 1.184 119 R CA 0.765 56.895 56.100 0.049 0.000 0.823 119 R CB -2.394 27.932 30.300 0.044 0.000 1.285 119 R HN 0.556 nan 8.270 nan 0.000 0.499 120 A N 0.100 122.948 122.820 0.047 0.000 2.070 120 A HA -0.158 4.161 4.320 -0.002 0.000 0.220 120 A C 1.829 179.397 177.584 -0.027 0.000 1.159 120 A CA 1.522 53.582 52.037 0.039 0.000 0.656 120 A CB 0.016 19.065 19.000 0.083 0.000 0.800 120 A HN 0.374 nan 8.150 nan 0.000 0.453 121 Q N -0.803 118.924 119.800 -0.122 0.000 2.247 121 Q HA 0.195 4.534 4.340 -0.002 0.000 0.211 121 Q C 0.642 176.522 176.000 -0.200 0.000 0.861 121 Q CA 0.599 56.192 55.803 -0.350 0.000 0.949 121 Q CB 0.655 28.907 28.738 -0.811 0.000 1.115 121 Q HN 0.741 nan 8.270 nan 0.000 0.507 122 S N -2.827 112.823 115.700 -0.083 0.000 2.903 122 S HA 0.641 5.110 4.470 -0.002 0.000 0.314 122 S C 0.454 175.052 174.600 -0.004 0.000 1.177 122 S CA -0.047 58.126 58.200 -0.045 0.000 0.859 122 S CB 0.730 63.907 63.200 -0.039 0.000 1.265 122 S HN -0.072 nan 8.310 nan 0.000 0.584 123 Q N -0.657 119.145 119.800 0.005 0.000 2.281 123 Q HA 0.432 4.771 4.340 -0.002 0.000 0.215 123 Q C 0.341 176.355 176.000 0.023 0.000 0.867 123 Q CA 0.343 56.154 55.803 0.014 0.000 0.940 123 Q CB -0.594 28.150 28.738 0.010 0.000 1.111 123 Q HN 0.781 nan 8.270 nan 0.000 0.513 124 E N 0.667 120.885 120.200 0.029 0.000 2.459 124 E HA 0.294 4.643 4.350 -0.002 0.000 0.264 124 E C 1.347 177.972 176.600 0.041 0.000 1.055 124 E CA 1.041 57.464 56.400 0.039 0.000 0.957 124 E CB 0.663 30.394 29.700 0.053 0.000 0.952 124 E HN 0.551 nan 8.360 nan 0.000 0.448 125 D N 2.868 123.293 120.400 0.041 0.000 2.088 125 D HA -0.042 4.597 4.640 -0.002 0.000 0.191 125 D C 1.011 177.342 176.300 0.052 0.000 0.992 125 D CA 1.552 55.576 54.000 0.040 0.000 0.831 125 D CB -0.672 40.148 40.800 0.032 0.000 0.973 125 D HN 0.497 nan 8.370 nan 0.000 0.447 126 G N -0.402 108.439 108.800 0.068 0.000 2.537 126 G HA2 0.402 4.361 3.960 -0.002 0.000 0.297 126 G HA3 0.402 4.361 3.960 -0.002 0.000 0.297 126 G C 0.156 175.115 174.900 0.098 0.000 1.310 126 G CA 0.712 45.866 45.100 0.090 0.000 1.027 126 G HN 0.406 nan 8.290 nan 0.000 0.505 127 D N -2.267 118.204 120.400 0.118 0.000 2.402 127 D HA 0.051 4.690 4.640 -0.002 0.000 0.216 127 D C -0.257 176.114 176.300 0.118 0.000 1.128 127 D CA -0.533 53.527 54.000 0.101 0.000 0.833 127 D CB -0.204 40.645 40.800 0.082 0.000 0.971 127 D HN 0.210 nan 8.370 nan 0.000 0.503 128 Y N 1.092 121.406 120.300 0.023 0.000 2.313 128 Y HA 0.508 5.057 4.550 -0.002 0.000 0.332 128 Y C -0.659 175.244 175.900 0.005 0.000 1.071 128 Y CA -0.849 57.261 58.100 0.015 0.000 1.169 128 Y CB 0.693 39.178 38.460 0.042 0.000 1.192 128 Y HN 0.005 nan 8.280 nan 0.000 0.487 129 I N 6.254 126.327 120.570 -0.829 0.000 2.692 129 I HA 0.229 4.398 4.170 -0.002 0.000 0.293 129 I C -1.237 174.306 176.117 -0.956 0.000 1.200 129 I CA -0.885 59.986 61.300 -0.715 0.000 1.036 129 I CB 1.616 39.428 38.000 -0.313 0.000 1.258 129 I HN 0.643 nan 8.210 nan 0.000 0.421 130 N N 6.412 124.728 118.700 -0.640 0.000 2.605 130 N HA 0.392 5.131 4.740 -0.002 0.000 0.282 130 N C -1.056 174.311 175.510 -0.239 0.000 1.206 130 N CA 0.409 53.241 53.050 -0.362 0.000 1.074 130 N CB 0.025 38.467 38.487 -0.075 0.000 1.434 130 N HN 0.663 nan 8.380 nan 0.000 0.506 131 A N 2.947 125.602 122.820 -0.275 0.000 2.604 131 A HA 0.618 4.937 4.320 -0.002 0.000 0.295 131 A C -1.253 176.185 177.584 -0.243 0.000 1.067 131 A CA -0.901 51.004 52.037 -0.220 0.000 0.683 131 A CB 1.127 19.975 19.000 -0.252 0.000 1.281 131 A HN 0.590 nan 8.150 nan 0.000 0.407 132 N N -0.216 118.365 118.700 -0.200 0.000 2.260 132 N HA 0.574 5.313 4.740 -0.002 0.000 0.293 132 N C -1.584 173.826 175.510 -0.167 0.000 1.058 132 N CA -0.454 52.485 53.050 -0.186 0.000 0.824 132 N CB 1.124 39.583 38.487 -0.047 0.000 1.551 132 N HN 0.547 nan 8.380 nan 0.000 0.475 133 Y N 1.244 121.547 120.300 0.005 0.000 2.597 133 Y HA 0.154 4.703 4.550 -0.002 0.000 0.336 133 Y C 0.329 176.259 175.900 0.050 0.000 1.216 133 Y CA 0.061 58.174 58.100 0.022 0.000 1.463 133 Y CB 0.306 38.770 38.460 0.006 0.000 1.303 133 Y HN 0.240 nan 8.280 nan 0.000 0.576 134 I N 3.734 124.461 120.570 0.263 0.000 2.465 134 I HA 0.352 4.521 4.170 -0.002 0.000 0.291 134 I C 0.023 176.284 176.117 0.240 0.000 1.014 134 I CA -1.415 60.020 61.300 0.226 0.000 1.093 134 I CB 1.649 39.797 38.000 0.247 0.000 1.267 134 I HN 0.573 nan 8.210 nan 0.000 0.431 135 R N 2.815 123.414 120.500 0.165 0.000 2.543 135 R HA 0.504 4.843 4.340 -0.002 0.000 0.277 135 R C 0.703 177.125 176.300 0.204 0.000 1.074 135 R CA -0.154 56.023 56.100 0.129 0.000 1.076 135 R CB 0.900 31.238 30.300 0.064 0.000 0.993 135 R HN 0.864 nan 8.270 nan 0.000 0.459 136 G N 1.032 109.944 108.800 0.187 0.000 2.782 136 G HA2 0.058 4.016 3.960 -0.002 0.000 0.201 136 G HA3 0.058 4.016 3.960 -0.002 0.000 0.201 136 G C -1.124 173.888 174.900 0.187 0.000 1.374 136 G CA -0.535 44.740 45.100 0.293 0.000 1.039 136 G HN 0.577 nan 8.290 nan 0.000 0.576 137 Y N 0.476 120.820 120.300 0.073 0.000 2.895 137 Y HA 0.113 4.662 4.550 -0.002 0.000 0.334 137 Y C 1.036 176.944 175.900 0.013 0.000 1.261 137 Y CA 1.305 59.421 58.100 0.027 0.000 1.560 137 Y CB 0.235 38.701 38.460 0.011 0.000 1.253 137 Y HN 0.759 nan 8.280 nan 0.000 0.582 138 D N 3.514 123.519 120.400 -0.659 0.000 3.012 138 D HA -0.196 4.443 4.640 -0.002 0.000 0.222 138 D C 0.921 177.062 176.300 -0.266 0.000 1.167 138 D CA 2.099 55.706 54.000 -0.656 0.000 0.854 138 D CB -1.373 38.886 40.800 -0.902 0.000 1.107 138 D HN 1.348 nan 8.370 nan 0.000 0.421 139 G N -0.213 108.502 108.800 -0.141 0.000 2.159 139 G HA2 -0.400 3.559 3.960 -0.002 0.000 0.256 139 G HA3 -0.400 3.559 3.960 -0.002 0.000 0.256 139 G C 0.358 175.234 174.900 -0.040 0.000 0.977 139 G CA 0.621 45.680 45.100 -0.069 0.000 0.652 139 G HN 0.678 nan 8.290 nan 0.000 0.531 140 K N 1.261 121.643 120.400 -0.029 0.000 2.472 140 K HA 0.297 4.616 4.320 -0.002 0.000 0.280 140 K C 0.602 177.192 176.600 -0.016 0.000 1.028 140 K CA 0.265 56.541 56.287 -0.018 0.000 1.045 140 K CB 0.198 32.699 32.500 0.001 0.000 0.902 140 K HN 0.457 nan 8.250 nan 0.000 0.478 141 E N 3.425 123.603 120.200 -0.037 0.000 2.343 141 E HA 0.037 4.386 4.350 -0.002 0.000 0.269 141 E C -0.531 176.028 176.600 -0.068 0.000 1.047 141 E CA -0.140 56.231 56.400 -0.048 0.000 0.874 141 E CB 0.715 30.369 29.700 -0.076 0.000 1.033 141 E HN 0.480 nan 8.360 nan 0.000 0.409 142 K N 0.579 120.948 120.400 -0.052 0.000 3.077 142 K HA -0.211 4.108 4.320 -0.002 0.000 0.264 142 K C 0.619 177.189 176.600 -0.050 0.000 1.008 142 K CA 0.024 56.288 56.287 -0.038 0.000 0.740 142 K CB -1.760 30.627 32.500 -0.188 0.000 1.273 142 K HN 0.281 nan 8.250 nan 0.000 0.477 143 V N -0.857 119.008 119.914 -0.081 0.000 2.591 143 V HA -0.126 3.993 4.120 -0.002 0.000 0.249 143 V C 0.941 176.721 176.094 -0.523 0.000 1.053 143 V CA 1.406 63.517 62.300 -0.316 0.000 1.068 143 V CB -0.362 31.214 31.823 -0.412 0.000 0.689 143 V HN 0.295 nan 8.190 nan 0.000 0.462 144 Y N -2.006 118.339 120.300 0.075 0.000 2.633 144 Y HA 0.704 5.253 4.550 -0.002 0.000 0.339 144 Y C -0.280 175.672 175.900 0.087 0.000 1.045 144 Y CA -1.167 56.979 58.100 0.077 0.000 1.098 144 Y CB 1.768 40.277 38.460 0.082 0.000 1.296 144 Y HN -0.188 nan 8.280 nan 0.000 0.494 145 I N 1.653 122.351 120.570 0.213 0.000 2.447 145 I HA 0.586 4.754 4.170 -0.002 0.000 0.287 145 I C -0.846 175.318 176.117 0.078 0.000 1.023 145 I CA -0.862 60.491 61.300 0.088 0.000 1.083 145 I CB 1.608 39.592 38.000 -0.026 0.000 1.245 145 I HN 0.729 nan 8.210 nan 0.000 0.434 146 A N 4.538 127.386 122.820 0.046 0.000 2.274 146 A HA 0.787 5.106 4.320 -0.002 0.000 0.309 146 A C -0.269 177.318 177.584 0.005 0.000 1.226 146 A CA -0.270 51.790 52.037 0.038 0.000 0.853 146 A CB 1.229 20.245 19.000 0.028 0.000 1.146 146 A HN 0.635 nan 8.150 nan 0.000 0.518 147 T N 0.992 115.568 114.554 0.037 0.000 2.843 147 T HA 0.463 4.812 4.350 -0.002 0.000 0.302 147 T C -0.590 174.133 174.700 0.038 0.000 1.232 147 T CA -0.577 61.530 62.100 0.010 0.000 1.009 147 T CB 1.151 70.011 68.868 -0.014 0.000 1.254 147 T HN 0.909 nan 8.240 nan 0.000 0.504 148 Q N 1.475 121.272 119.800 -0.006 0.000 2.417 148 Q HA 0.518 4.856 4.340 -0.002 0.000 0.241 148 Q C 0.610 176.526 176.000 -0.139 0.000 1.008 148 Q CA -0.651 55.143 55.803 -0.016 0.000 0.901 148 Q CB 0.121 28.843 28.738 -0.026 0.000 1.259 148 Q HN 0.764 nan 8.270 nan 0.000 0.489 149 G N 1.821 110.526 108.800 -0.159 0.000 2.491 149 G HA2 0.309 4.268 3.960 -0.002 0.000 0.242 149 G HA3 0.309 4.268 3.960 -0.002 0.000 0.242 149 G C -2.250 172.379 174.900 -0.452 0.000 1.266 149 G CA -1.017 43.799 45.100 -0.473 0.000 0.844 149 G HN 0.589 nan 8.290 nan 0.000 0.571 150 P HA 0.105 nan 4.420 nan 0.000 0.269 150 P C -0.068 177.077 177.300 -0.260 0.000 1.215 150 P CA 0.006 62.825 63.100 -0.467 0.000 0.780 150 P CB 0.833 32.139 31.700 -0.658 0.000 0.898 151 M N 2.834 122.335 119.600 -0.165 0.000 2.368 151 M HA 0.258 4.737 4.480 -0.002 0.000 0.311 151 M C -1.348 174.911 176.300 -0.068 0.000 1.168 151 M CA -2.016 53.219 55.300 -0.108 0.000 1.044 151 M CB 0.616 33.163 32.600 -0.090 0.000 1.506 151 M HN 0.179 nan 8.290 nan 0.000 0.475 152 P HA -0.173 nan 4.420 nan 0.000 0.216 152 P C 0.436 177.750 177.300 0.024 0.000 1.150 152 P CA 1.347 64.446 63.100 -0.002 0.000 0.843 152 P CB -0.234 31.463 31.700 -0.005 0.000 0.787 153 N N -1.391 117.316 118.700 0.011 0.000 2.461 153 N HA -0.031 4.708 4.740 -0.002 0.000 0.188 153 N C 0.753 176.287 175.510 0.040 0.000 1.134 153 N CA 1.204 54.272 53.050 0.031 0.000 0.878 153 N CB -0.995 37.504 38.487 0.020 0.000 0.972 153 N HN 0.209 nan 8.380 nan 0.000 0.456 154 T N -4.133 110.430 114.554 0.016 0.000 3.084 154 T HA 0.249 4.598 4.350 -0.002 0.000 0.270 154 T C 1.529 176.232 174.700 0.005 0.000 1.008 154 T CA -0.232 61.877 62.100 0.014 0.000 0.900 154 T CB -0.200 68.657 68.868 -0.020 0.000 1.084 154 T HN -0.138 nan 8.240 nan 0.000 0.538 155 V N 2.265 122.193 119.914 0.023 0.000 2.252 155 V HA -0.207 3.912 4.120 -0.002 0.000 0.249 155 V C 2.919 179.134 176.094 0.201 0.000 1.056 155 V CA 2.534 64.859 62.300 0.043 0.000 1.022 155 V CB -0.977 30.951 31.823 0.176 0.000 0.641 155 V HN 0.578 nan 8.190 nan 0.000 0.445 156 S N -0.411 115.457 115.700 0.280 0.000 2.383 156 S HA -0.188 4.281 4.470 -0.002 0.000 0.227 156 S C 1.700 176.477 174.600 0.295 0.000 1.026 156 S CA 1.356 59.781 58.200 0.374 0.000 0.981 156 S CB -0.418 62.967 63.200 0.308 0.000 0.818 156 S HN 0.628 nan 8.310 nan 0.000 0.472 157 D N 1.029 121.533 120.400 0.173 0.000 2.097 157 D HA -0.090 4.549 4.640 -0.002 0.000 0.195 157 D C 1.569 177.905 176.300 0.061 0.000 0.989 157 D CA 0.793 54.859 54.000 0.110 0.000 0.827 157 D CB -0.444 40.391 40.800 0.058 0.000 0.966 157 D HN 0.361 nan 8.370 nan 0.000 0.456 158 F N 0.464 120.309 119.950 -0.176 0.000 2.043 158 F HA -0.250 4.276 4.527 -0.002 0.000 0.297 158 F C 2.168 177.786 175.800 -0.304 0.000 1.121 158 F CA 1.834 59.614 58.000 -0.367 0.000 1.199 158 F CB -0.663 37.926 39.000 -0.685 0.000 0.968 158 F HN -0.008 nan 8.300 nan 0.000 0.478 159 W N 0.332 121.689 121.300 0.095 0.000 2.342 159 W HA -0.164 4.495 4.660 -0.002 0.000 0.297 159 W C 2.770 179.122 176.519 -0.277 0.000 1.213 159 W CA 1.596 58.872 57.345 -0.115 0.000 1.251 159 W CB -1.176 28.277 29.460 -0.012 0.000 1.136 159 W HN 0.210 nan 8.180 nan 0.000 0.526 160 E N 0.455 120.781 120.200 0.211 0.000 2.153 160 E HA -0.246 4.103 4.350 -0.002 0.000 0.194 160 E C 1.629 178.271 176.600 0.071 0.000 0.988 160 E CA 1.705 58.244 56.400 0.231 0.000 0.811 160 E CB -0.802 29.069 29.700 0.286 0.000 0.746 160 E HN 0.531 nan 8.360 nan 0.000 0.466 161 M N -0.113 119.436 119.600 -0.084 0.000 2.132 161 M HA -0.099 4.380 4.480 -0.002 0.000 0.263 161 M C 2.419 178.605 176.300 -0.190 0.000 1.065 161 M CA 1.439 56.636 55.300 -0.171 0.000 1.122 161 M CB -0.028 32.375 32.600 -0.328 0.000 1.365 161 M HN 0.283 nan 8.290 nan 0.000 0.411 162 V N -0.032 119.707 119.914 -0.291 0.000 2.332 162 V HA -0.329 3.790 4.120 -0.002 0.000 0.248 162 V C 2.063 178.141 176.094 -0.027 0.000 1.055 162 V CA 2.125 64.314 62.300 -0.185 0.000 1.038 162 V CB -0.973 30.811 31.823 -0.063 0.000 0.651 162 V HN 0.740 nan 8.190 nan 0.000 0.450 163 W N 0.581 121.755 121.300 -0.209 0.000 2.381 163 W HA -0.223 4.436 4.660 -0.001 0.000 0.321 163 W C 2.603 179.086 176.519 -0.060 0.000 1.196 163 W CA 2.052 59.304 57.345 -0.156 0.000 1.304 163 W CB -0.438 28.884 29.460 -0.229 0.000 1.166 163 W HN 0.310 nan 8.180 nan 0.000 0.473 164 Q N 0.199 120.113 119.800 0.191 0.000 2.112 164 Q HA -0.241 4.098 4.340 -0.002 0.000 0.206 164 Q C 1.567 177.548 176.000 -0.031 0.000 0.987 164 Q CA 1.936 57.797 55.803 0.096 0.000 0.858 164 Q CB -0.273 28.539 28.738 0.125 0.000 0.905 164 Q HN 0.134 nan 8.270 nan 0.000 0.420 165 E N 0.211 120.386 120.200 -0.043 0.000 2.479 165 E HA -0.020 4.329 4.350 -0.002 0.000 0.193 165 E C -0.394 176.149 176.600 -0.095 0.000 1.049 165 E CA 0.245 56.625 56.400 -0.034 0.000 0.870 165 E CB 0.323 30.026 29.700 0.004 0.000 0.944 165 E HN 0.416 nan 8.360 nan 0.000 0.492 166 E N 0.013 120.107 120.200 -0.177 0.000 2.476 166 E HA -0.166 4.183 4.350 -0.002 0.000 0.251 166 E C -0.567 175.952 176.600 -0.134 0.000 1.130 166 E CA 0.117 56.383 56.400 -0.223 0.000 0.736 166 E CB -1.498 28.079 29.700 -0.204 0.000 1.298 166 E HN -0.032 nan 8.360 nan 0.000 0.400 167 V N 1.453 121.307 119.914 -0.099 0.000 2.540 167 V HA -0.056 4.063 4.120 -0.002 0.000 0.297 167 V C 1.528 177.610 176.094 -0.019 0.000 1.024 167 V CA 1.353 63.621 62.300 -0.054 0.000 1.105 167 V CB 1.346 33.130 31.823 -0.064 0.000 0.938 167 V HN 0.468 nan 8.190 nan 0.000 0.482 168 S N 3.920 119.615 115.700 -0.009 0.000 2.540 168 S HA 0.331 4.800 4.470 -0.002 0.000 0.222 168 S C -0.159 174.469 174.600 0.047 0.000 1.008 168 S CA -0.204 58.007 58.200 0.019 0.000 0.939 168 S CB 0.294 63.492 63.200 -0.003 0.000 0.865 168 S HN 0.457 nan 8.310 nan 0.000 0.499 169 L N 1.590 122.836 121.223 0.039 0.000 2.439 169 L HA 0.664 5.003 4.340 -0.002 0.000 0.270 169 L C -1.658 175.239 176.870 0.045 0.000 0.972 169 L CA -0.910 53.953 54.840 0.039 0.000 0.836 169 L CB 1.666 43.733 42.059 0.013 0.000 1.255 169 L HN 0.215 nan 8.230 nan 0.000 0.404 170 I N 5.489 126.093 120.570 0.056 0.000 2.378 170 I HA 0.507 4.676 4.170 -0.002 0.000 0.291 170 I C -0.781 175.225 176.117 -0.185 0.000 0.992 170 I CA -0.926 60.404 61.300 0.050 0.000 1.154 170 I CB 2.000 40.185 38.000 0.309 0.000 1.315 170 I HN 0.234 nan 8.210 nan 0.000 0.448 171 V N 7.058 126.831 119.914 -0.234 0.000 2.384 171 V HA 0.429 4.548 4.120 -0.002 0.000 0.287 171 V C -0.137 175.627 176.094 -0.549 0.000 1.020 171 V CA -0.508 61.529 62.300 -0.438 0.000 0.850 171 V CB 1.603 33.083 31.823 -0.571 0.000 0.987 171 V HN 0.711 nan 8.190 nan 0.000 0.436 172 M N 6.708 125.959 119.600 -0.581 0.000 2.311 172 M HA 0.682 5.161 4.480 -0.002 0.000 0.325 172 M C -1.901 174.210 176.300 -0.314 0.000 1.061 172 M CA -0.534 54.372 55.300 -0.656 0.000 0.957 172 M CB 1.479 33.786 32.600 -0.488 0.000 1.646 172 M HN 0.537 nan 8.290 nan 0.000 0.434 173 L N 4.439 125.493 121.223 -0.282 0.000 2.325 173 L HA 0.743 5.081 4.340 -0.002 0.000 0.281 173 L C -0.189 176.677 176.870 -0.006 0.000 1.004 173 L CA -0.308 54.476 54.840 -0.093 0.000 0.823 173 L CB 1.855 43.723 42.059 -0.319 0.000 1.236 173 L HN 0.781 nan 8.230 nan 0.000 0.415 174 T N 0.981 115.630 114.554 0.158 0.000 2.647 174 T HA 0.395 4.744 4.350 -0.002 0.000 0.295 174 T C -1.899 172.926 174.700 0.209 0.000 1.126 174 T CA -0.421 61.775 62.100 0.159 0.000 1.040 174 T CB 2.081 71.062 68.868 0.188 0.000 1.472 174 T HN 0.644 nan 8.240 nan 0.000 0.500 175 Q N 0.801 120.703 119.800 0.170 0.000 2.423 175 Q HA 0.483 4.822 4.340 -0.002 0.000 0.278 175 Q C 0.619 176.698 176.000 0.132 0.000 1.097 175 Q CA -0.569 55.327 55.803 0.154 0.000 0.809 175 Q CB 1.940 30.761 28.738 0.139 0.000 1.391 175 Q HN 0.609 nan 8.270 nan 0.000 0.428 176 L N 3.655 124.944 121.223 0.110 0.000 2.042 176 L HA -0.064 4.275 4.340 -0.002 0.000 0.210 176 L C 2.058 178.981 176.870 0.088 0.000 1.076 176 L CA 2.196 57.097 54.840 0.101 0.000 0.749 176 L CB -1.055 41.050 42.059 0.078 0.000 0.893 176 L HN 0.852 nan 8.230 nan 0.000 0.432 177 R N -0.300 120.245 120.500 0.075 0.000 2.261 177 R HA -0.120 4.218 4.340 -0.002 0.000 0.236 177 R C 0.952 177.288 176.300 0.060 0.000 1.141 177 R CA 0.745 56.882 56.100 0.062 0.000 1.001 177 R CB -0.311 30.024 30.300 0.059 0.000 0.866 177 R HN 0.659 nan 8.270 nan 0.000 0.468 178 E N 0.383 120.627 120.200 0.073 0.000 2.265 178 E HA 0.085 4.434 4.350 -0.002 0.000 0.272 178 E C 0.100 176.720 176.600 0.034 0.000 1.067 178 E CA -0.423 56.016 56.400 0.065 0.000 0.900 178 E CB 0.827 30.579 29.700 0.087 0.000 1.017 178 E HN 0.232 nan 8.360 nan 0.000 0.431 179 G N 1.987 110.798 108.800 0.019 0.000 2.543 179 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.290 179 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.290 179 G C 0.734 175.609 174.900 -0.042 0.000 1.310 179 G CA -0.521 44.573 45.100 -0.011 0.000 1.025 179 G HN 0.433 nan 8.290 nan 0.000 0.502 180 K N 0.228 120.592 120.400 -0.059 0.000 2.173 180 K HA -0.121 4.198 4.320 -0.002 0.000 0.207 180 K C 2.193 178.752 176.600 -0.068 0.000 1.046 180 K CA 1.979 58.217 56.287 -0.081 0.000 0.929 180 K CB -0.398 32.062 32.500 -0.066 0.000 0.720 180 K HN 0.805 nan 8.250 nan 0.000 0.453 181 E N 0.601 120.773 120.200 -0.046 0.000 2.340 181 E HA 0.000 4.349 4.350 -0.002 0.000 0.194 181 E C 1.494 178.060 176.600 -0.057 0.000 0.996 181 E CA 0.894 57.263 56.400 -0.053 0.000 0.869 181 E CB -0.017 29.663 29.700 -0.034 0.000 0.835 181 E HN 0.423 nan 8.360 nan 0.000 0.493 182 K N -0.129 120.262 120.400 -0.015 0.000 2.308 182 K HA 0.163 4.482 4.320 -0.002 0.000 0.197 182 K C 0.388 176.996 176.600 0.014 0.000 1.049 182 K CA 0.650 56.952 56.287 0.024 0.000 0.991 182 K CB 0.704 33.254 32.500 0.083 0.000 0.836 182 K HN 0.177 nan 8.250 nan 0.000 0.500 183 C N -0.072 119.222 119.300 -0.011 0.000 3.113 183 C HA 0.533 4.992 4.460 -0.002 0.000 0.376 183 C C -1.339 173.603 174.990 -0.081 0.000 1.077 183 C CA -0.941 58.079 59.018 0.002 0.000 1.253 183 C CB 0.817 28.610 27.740 0.087 0.000 1.637 183 C HN 0.097 nan 8.230 nan 0.000 0.535 184 V N 3.910 123.788 119.914 -0.060 0.000 2.864 184 V HA 0.645 4.764 4.120 -0.002 0.000 0.314 184 V C -0.559 175.468 176.094 -0.113 0.000 1.073 184 V CA -0.314 61.899 62.300 -0.145 0.000 0.956 184 V CB 1.812 33.581 31.823 -0.089 0.000 1.023 184 V HN 1.008 nan 8.190 nan 0.000 0.435 185 H N 4.920 123.807 119.070 -0.305 0.000 3.014 185 H HA 0.287 4.842 4.556 -0.002 0.000 0.266 185 H C -0.130 174.744 175.328 -0.757 0.000 1.455 185 H CA 0.208 55.714 56.048 -0.903 0.000 1.402 185 H CB 0.239 29.532 29.762 -0.781 0.000 1.626 185 H HN 0.886 nan 8.280 nan 0.000 0.520 186 Y N 0.456 120.527 120.300 -0.381 0.000 2.461 186 Y HA 0.126 4.675 4.550 -0.002 0.000 0.277 186 Y C -0.198 175.774 175.900 0.119 0.000 1.182 186 Y CA -1.362 56.672 58.100 -0.109 0.000 1.276 186 Y CB -0.517 37.804 38.460 -0.231 0.000 1.087 186 Y HN 0.391 nan 8.280 nan 0.000 0.519 187 W N 0.853 122.036 121.300 -0.194 0.000 2.671 187 W HA 0.860 5.519 4.660 -0.001 0.000 0.360 187 W C -3.052 173.545 176.519 0.129 0.000 1.128 187 W CA -2.933 54.409 57.345 -0.004 0.000 1.184 187 W CB 0.507 29.835 29.460 -0.220 0.000 1.415 187 W HN -0.307 nan 8.180 nan 0.000 0.604 188 P HA 0.249 nan 4.420 nan 0.000 0.285 188 P C 0.285 177.672 177.300 0.145 0.000 1.285 188 P CA -0.233 62.976 63.100 0.181 0.000 0.854 188 P CB 2.344 34.173 31.700 0.215 0.000 1.180 189 T N -0.022 114.569 114.554 0.062 0.000 2.643 189 T HA -0.113 4.236 4.350 -0.002 0.000 0.264 189 T C 1.856 176.601 174.700 0.075 0.000 1.045 189 T CA 2.719 64.855 62.100 0.061 0.000 1.155 189 T CB -0.463 68.416 68.868 0.019 0.000 0.863 189 T HN 0.671 nan 8.240 nan 0.000 0.420 190 E N 0.178 120.412 120.200 0.056 0.000 2.378 190 E HA 0.415 4.764 4.350 -0.002 0.000 0.200 190 E C 0.701 177.333 176.600 0.052 0.000 0.882 190 E CA 0.465 56.895 56.400 0.049 0.000 1.061 190 E CB 0.436 30.152 29.700 0.028 0.000 1.049 190 E HN 0.566 nan 8.360 nan 0.000 0.494 191 E N -0.262 119.960 120.200 0.037 0.000 2.451 191 E HA 0.393 4.742 4.350 -0.002 0.000 0.295 191 E C -1.916 174.666 176.600 -0.030 0.000 0.966 191 E CA -0.531 55.880 56.400 0.018 0.000 0.808 191 E CB 1.404 31.106 29.700 0.003 0.000 1.242 191 E HN 0.090 nan 8.360 nan 0.000 0.412 192 E N 2.243 122.400 120.200 -0.072 0.000 2.372 192 E HA 0.281 4.630 4.350 -0.002 0.000 0.279 192 E C -1.227 175.171 176.600 -0.337 0.000 0.946 192 E CA -0.853 55.377 56.400 -0.283 0.000 0.769 192 E CB 2.200 31.534 29.700 -0.611 0.000 1.230 192 E HN 0.495 nan 8.360 nan 0.000 0.442 193 T N 2.079 116.433 114.554 -0.334 0.000 2.780 193 T HA 0.358 4.707 4.350 -0.002 0.000 0.294 193 T C -0.735 173.747 174.700 -0.363 0.000 0.949 193 T CA 0.038 62.003 62.100 -0.226 0.000 1.074 193 T CB -0.191 68.592 68.868 -0.142 0.000 0.910 193 T HN 0.176 nan 8.240 nan 0.000 0.501 194 Y N 2.359 122.702 120.300 0.071 0.000 2.388 194 Y HA 0.497 5.046 4.550 -0.002 0.000 0.328 194 Y C 1.225 177.229 175.900 0.174 0.000 0.963 194 Y CA -0.365 57.833 58.100 0.163 0.000 1.240 194 Y CB 1.084 39.716 38.460 0.286 0.000 1.118 194 Y HN 0.969 nan 8.280 nan 0.000 0.484 195 G N 3.993 112.908 108.800 0.192 0.000 2.629 195 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.313 195 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.313 195 G C -1.689 173.161 174.900 -0.083 0.000 1.217 195 G CA 0.198 45.337 45.100 0.066 0.000 0.994 195 G HN 0.555 nan 8.290 nan 0.000 0.549 196 P HA 0.408 nan 4.420 nan 0.000 0.261 196 P C -0.208 176.801 177.300 -0.486 0.000 1.352 196 P CA 0.031 62.888 63.100 -0.405 0.000 0.891 196 P CB -0.034 31.397 31.700 -0.448 0.000 1.383 197 F N -0.067 119.901 119.950 0.030 0.000 2.432 197 F HA 0.495 5.021 4.527 -0.002 0.000 0.329 197 F C 0.974 176.760 175.800 -0.023 0.000 1.076 197 F CA -0.781 57.207 58.000 -0.020 0.000 1.018 197 F CB 0.886 39.864 39.000 -0.037 0.000 1.201 197 F HN -0.334 nan 8.300 nan 0.000 0.489 198 Q N 3.009 122.894 119.800 0.143 0.000 2.347 198 Q HA 0.432 4.771 4.340 -0.002 0.000 0.262 198 Q C -0.736 175.295 176.000 0.052 0.000 0.980 198 Q CA -0.287 55.554 55.803 0.064 0.000 0.867 198 Q CB 1.813 30.572 28.738 0.034 0.000 1.242 198 Q HN 0.431 nan 8.270 nan 0.000 0.453 199 I N 3.320 123.913 120.570 0.039 0.000 2.377 199 I HA 0.473 4.642 4.170 -0.002 0.000 0.293 199 I C 0.375 176.514 176.117 0.037 0.000 0.987 199 I CA -0.654 60.623 61.300 -0.039 0.000 1.185 199 I CB 1.532 39.435 38.000 -0.161 0.000 1.341 199 I HN 0.466 nan 8.210 nan 0.000 0.455 200 R N 6.041 126.559 120.500 0.030 0.000 2.744 200 R HA 0.653 4.992 4.340 -0.002 0.000 0.279 200 R C -1.508 174.827 176.300 0.058 0.000 0.977 200 R CA -0.726 55.404 56.100 0.050 0.000 0.906 200 R CB 2.281 32.605 30.300 0.039 0.000 1.197 200 R HN 0.622 nan 8.270 nan 0.000 0.463 201 I N 3.399 124.012 120.570 0.072 0.000 2.312 201 I HA 0.056 4.225 4.170 -0.002 0.000 0.291 201 I C 0.378 176.527 176.117 0.054 0.000 1.031 201 I CA -0.081 61.262 61.300 0.071 0.000 1.293 201 I CB 1.598 39.657 38.000 0.097 0.000 1.403 201 I HN 0.800 nan 8.210 nan 0.000 0.484 202 Q N 4.315 124.145 119.800 0.049 0.000 2.354 202 Q HA 0.092 4.431 4.340 -0.002 0.000 0.203 202 Q C 0.051 176.075 176.000 0.039 0.000 0.933 202 Q CA 0.571 56.399 55.803 0.043 0.000 0.901 202 Q CB 0.068 28.832 28.738 0.044 0.000 1.007 202 Q HN 0.825 nan 8.270 nan 0.000 0.495 203 D N -1.465 118.959 120.400 0.040 0.000 2.747 203 D HA 0.171 4.810 4.640 -0.002 0.000 0.218 203 D C -1.562 174.760 176.300 0.035 0.000 1.230 203 D CA -0.309 53.713 54.000 0.036 0.000 0.774 203 D CB 1.263 42.084 40.800 0.036 0.000 1.667 203 D HN 0.160 nan 8.370 nan 0.000 0.499 204 M N 3.838 123.458 119.600 0.033 0.000 2.190 204 M HA 0.331 4.810 4.480 -0.002 0.000 0.312 204 M C -1.598 174.718 176.300 0.027 0.000 0.990 204 M CA -0.583 54.735 55.300 0.030 0.000 0.927 204 M CB 1.478 34.099 32.600 0.034 0.000 1.571 204 M HN 0.361 nan 8.290 nan 0.000 0.427 205 K N 3.689 124.107 120.400 0.030 0.000 2.376 205 K HA 0.330 4.649 4.320 -0.002 0.000 0.257 205 K C -1.273 175.333 176.600 0.011 0.000 0.939 205 K CA -0.346 55.954 56.287 0.021 0.000 0.809 205 K CB 1.666 34.183 32.500 0.029 0.000 1.121 205 K HN 0.689 nan 8.250 nan 0.000 0.425 206 E N 3.828 124.020 120.200 -0.013 0.000 1.986 206 E HA 0.092 4.441 4.350 -0.002 0.000 0.264 206 E C -0.422 176.117 176.600 -0.101 0.000 1.023 206 E CA -0.365 56.008 56.400 -0.045 0.000 0.834 206 E CB 0.429 30.107 29.700 -0.037 0.000 1.111 206 E HN 0.590 nan 8.360 nan 0.000 0.417 207 C N 5.437 124.628 119.300 -0.182 0.000 2.649 207 C HA 0.317 4.776 4.460 -0.002 0.000 0.377 207 C C -0.805 173.980 174.990 -0.341 0.000 1.321 207 C CA -1.579 57.245 59.018 -0.324 0.000 2.368 207 C CB 0.374 27.741 27.740 -0.621 0.000 2.597 207 C HN 0.665 nan 8.230 nan 0.000 0.678 208 P HA -0.056 nan 4.420 nan 0.000 0.218 208 P C 0.652 177.798 177.300 -0.258 0.000 1.149 208 P CA 1.769 64.738 63.100 -0.218 0.000 0.817 208 P CB 0.055 31.664 31.700 -0.152 0.000 0.785 209 E N -1.969 118.003 120.200 -0.380 0.000 2.498 209 E HA 0.126 4.475 4.350 -0.002 0.000 0.203 209 E C -0.154 176.260 176.600 -0.310 0.000 1.013 209 E CA -0.076 56.125 56.400 -0.332 0.000 0.927 209 E CB 0.145 29.750 29.700 -0.159 0.000 1.012 209 E HN 0.425 nan 8.360 nan 0.000 0.482 210 Y N -4.052 116.164 120.300 -0.139 0.000 2.656 210 Y HA 0.554 5.103 4.550 -0.002 0.000 0.334 210 Y C -0.753 175.121 175.900 -0.044 0.000 1.179 210 Y CA -1.585 56.461 58.100 -0.091 0.000 1.050 210 Y CB 0.830 39.308 38.460 0.030 0.000 1.308 210 Y HN -0.392 nan 8.280 nan 0.000 0.456 211 T N 2.271 116.933 114.554 0.180 0.000 2.758 211 T HA 0.546 4.895 4.350 -0.002 0.000 0.285 211 T C -0.811 173.977 174.700 0.147 0.000 0.981 211 T CA -0.623 61.538 62.100 0.101 0.000 0.965 211 T CB 1.062 69.957 68.868 0.044 0.000 0.927 211 T HN 0.570 nan 8.240 nan 0.000 0.448 212 V N 5.199 125.204 119.914 0.152 0.000 2.432 212 V HA 0.444 4.563 4.120 -0.002 0.000 0.275 212 V C 0.424 176.554 176.094 0.061 0.000 1.043 212 V CA -0.568 61.801 62.300 0.116 0.000 0.925 212 V CB 0.933 32.841 31.823 0.141 0.000 0.985 212 V HN 0.689 nan 8.190 nan 0.000 0.466 213 R N 3.419 123.948 120.500 0.048 0.000 2.439 213 R HA 0.425 4.764 4.340 -0.002 0.000 0.310 213 R C -0.851 175.482 176.300 0.054 0.000 0.955 213 R CA -0.739 55.373 56.100 0.020 0.000 0.853 213 R CB 1.684 31.931 30.300 -0.087 0.000 1.171 213 R HN 0.597 nan 8.270 nan 0.000 0.449 214 Q N 4.154 123.984 119.800 0.050 0.000 2.314 214 Q HA 0.319 4.658 4.340 -0.002 0.000 0.257 214 Q C -0.492 175.544 176.000 0.060 0.000 0.975 214 Q CA -0.050 55.789 55.803 0.060 0.000 0.933 214 Q CB 1.320 30.090 28.738 0.052 0.000 1.195 214 Q HN 0.462 nan 8.270 nan 0.000 0.426 215 L N 1.213 122.483 121.223 0.078 0.000 2.303 215 L HA 0.650 4.988 4.340 -0.002 0.000 0.266 215 L C 0.519 177.433 176.870 0.074 0.000 1.011 215 L CA -0.950 53.933 54.840 0.072 0.000 0.818 215 L CB 1.911 44.023 42.059 0.087 0.000 1.326 215 L HN 0.513 nan 8.230 nan 0.000 0.435 216 T N -0.926 113.662 114.554 0.058 0.000 2.912 216 T HA 0.757 5.106 4.350 -0.002 0.000 0.288 216 T C -0.728 173.999 174.700 0.045 0.000 1.030 216 T CA -0.651 61.491 62.100 0.070 0.000 1.020 216 T CB 2.283 71.197 68.868 0.076 0.000 1.056 216 T HN 0.566 nan 8.240 nan 0.000 0.480 217 I N 1.301 121.937 120.570 0.109 0.000 2.533 217 I HA 0.615 4.784 4.170 -0.002 0.000 0.290 217 I C -1.254 175.038 176.117 0.293 0.000 1.056 217 I CA -0.762 60.609 61.300 0.117 0.000 1.057 217 I CB 2.065 40.127 38.000 0.103 0.000 1.240 217 I HN 0.977 nan 8.210 nan 0.000 0.423 218 Q N 6.249 126.192 119.800 0.238 0.000 2.305 218 Q HA 0.377 4.716 4.340 -0.002 0.000 0.271 218 Q C -2.327 173.758 176.000 0.142 0.000 1.046 218 Q CA -0.709 55.237 55.803 0.240 0.000 0.798 218 Q CB 2.121 30.948 28.738 0.147 0.000 1.286 218 Q HN 0.702 nan 8.270 nan 0.000 0.435 219 Y N 4.983 125.191 120.300 -0.154 0.000 2.326 219 Y HA 0.301 4.850 4.550 -0.002 0.000 0.329 219 Y C -0.030 175.794 175.900 -0.127 0.000 0.973 219 Y CA -0.109 57.780 58.100 -0.352 0.000 1.162 219 Y CB 0.928 38.831 38.460 -0.928 0.000 1.147 219 Y HN 0.986 nan 8.280 nan 0.000 0.456 220 Q N 2.006 121.408 119.800 -0.664 0.000 2.015 220 Q HA -0.321 4.018 4.340 -0.002 0.000 0.393 220 Q C 1.232 177.130 176.000 -0.170 0.000 0.701 220 Q CA 2.014 57.530 55.803 -0.477 0.000 0.921 220 Q CB -0.971 27.411 28.738 -0.593 0.000 2.909 220 Q HN 0.885 nan 8.270 nan 0.000 0.814 221 E N 2.063 122.217 120.200 -0.077 0.000 2.478 221 E HA 0.031 4.379 4.350 -0.002 0.000 0.194 221 E C 0.262 176.918 176.600 0.094 0.000 1.045 221 E CA 0.719 57.125 56.400 0.009 0.000 0.868 221 E CB 0.149 29.858 29.700 0.015 0.000 0.885 221 E HN 0.490 nan 8.360 nan 0.000 0.505 222 E N 0.934 121.247 120.200 0.189 0.000 2.156 222 E HA 0.333 4.682 4.350 -0.002 0.000 0.279 222 E C -0.997 175.836 176.600 0.388 0.000 0.965 222 E CA -0.603 55.988 56.400 0.318 0.000 0.789 222 E CB 1.018 31.017 29.700 0.500 0.000 1.098 222 E HN -0.031 nan 8.360 nan 0.000 0.397 223 R N 3.833 124.495 120.500 0.270 0.000 2.513 223 R HA 0.433 4.772 4.340 -0.002 0.000 0.301 223 R C -0.904 175.514 176.300 0.196 0.000 0.968 223 R CA -0.576 55.672 56.100 0.247 0.000 0.872 223 R CB 1.171 31.560 30.300 0.148 0.000 1.177 223 R HN 0.513 nan 8.270 nan 0.000 0.444 224 R N 1.506 122.132 120.500 0.210 0.000 2.803 224 R HA 0.400 4.739 4.340 -0.002 0.000 0.276 224 R C -0.769 175.591 176.300 0.100 0.000 0.978 224 R CA -0.833 55.331 56.100 0.107 0.000 0.939 224 R CB 2.479 32.800 30.300 0.035 0.000 1.179 224 R HN 0.501 nan 8.270 nan 0.000 0.472 225 S N 1.013 116.751 115.700 0.064 0.000 2.545 225 S HA 0.346 4.815 4.470 -0.002 0.000 0.275 225 S C -0.548 174.099 174.600 0.079 0.000 1.299 225 S CA -0.501 57.739 58.200 0.068 0.000 1.048 225 S CB 1.120 64.351 63.200 0.051 0.000 0.938 225 S HN 0.224 nan 8.310 nan 0.000 0.496 226 V N 4.027 124.006 119.914 0.108 0.000 2.577 226 V HA 0.396 4.515 4.120 -0.002 0.000 0.303 226 V C -0.100 176.079 176.094 0.143 0.000 1.042 226 V CA -0.900 61.485 62.300 0.140 0.000 0.872 226 V CB 1.876 33.838 31.823 0.231 0.000 0.998 226 V HN 0.741 nan 8.190 nan 0.000 0.423 227 K N 3.715 124.184 120.400 0.115 0.000 2.258 227 K HA 0.352 4.671 4.320 -0.002 0.000 0.284 227 K C -0.717 175.958 176.600 0.125 0.000 1.051 227 K CA -0.473 55.873 56.287 0.099 0.000 0.923 227 K CB 0.471 33.003 32.500 0.053 0.000 1.046 227 K HN 0.856 nan 8.250 nan 0.000 0.474 228 H N 5.834 124.903 119.070 -0.003 0.000 2.587 228 H HA 0.305 4.860 4.556 -0.002 0.000 0.325 228 H C -1.063 174.204 175.328 -0.103 0.000 1.012 228 H CA -0.657 55.358 56.048 -0.054 0.000 1.213 228 H CB 0.669 30.356 29.762 -0.125 0.000 1.431 228 H HN 0.544 nan 8.280 nan 0.000 0.492 229 I N 7.070 127.385 120.570 -0.425 0.000 2.354 229 I HA 0.168 4.337 4.170 -0.002 0.000 0.286 229 I C -0.287 175.614 176.117 -0.360 0.000 1.007 229 I CA -0.441 60.682 61.300 -0.297 0.000 1.167 229 I CB 1.783 39.600 38.000 -0.305 0.000 1.320 229 I HN 0.318 nan 8.210 nan 0.000 0.458 230 L N 7.297 128.423 121.223 -0.162 0.000 2.262 230 L HA 0.482 4.821 4.340 -0.002 0.000 0.288 230 L C -1.320 175.626 176.870 0.127 0.000 1.035 230 L CA -0.518 54.283 54.840 -0.065 0.000 0.820 230 L CB 0.916 42.957 42.059 -0.030 0.000 1.204 230 L HN 0.505 nan 8.230 nan 0.000 0.424 231 F N 5.213 125.162 119.950 -0.002 0.000 2.347 231 F HA 0.404 4.929 4.527 -0.002 0.000 0.366 231 F C 0.281 176.166 175.800 0.143 0.000 1.107 231 F CA -0.121 57.945 58.000 0.111 0.000 1.058 231 F CB 1.512 40.569 39.000 0.095 0.000 1.236 231 F HN 0.511 nan 8.300 nan 0.000 0.456 232 S N 4.120 119.832 115.700 0.021 0.000 2.521 232 S HA 0.682 5.151 4.470 -0.002 0.000 0.278 232 S C 0.705 175.349 174.600 0.074 0.000 1.140 232 S CA 0.148 58.417 58.200 0.114 0.000 1.028 232 S CB 1.056 64.298 63.200 0.070 0.000 1.203 232 S HN 1.658 nan 8.310 nan 0.000 0.491 233 A N -0.368 122.509 122.820 0.096 0.000 2.783 233 A HA -0.158 4.161 4.320 -0.002 0.000 0.292 233 A C -0.237 177.501 177.584 0.257 0.000 1.495 233 A CA 1.300 53.396 52.037 0.099 0.000 0.787 233 A CB -2.139 16.846 19.000 -0.026 0.000 1.017 233 A HN 0.768 nan 8.150 nan 0.000 0.516 234 W N 0.543 121.930 121.300 0.146 0.000 2.492 234 W HA 0.546 5.205 4.660 -0.002 0.000 0.287 234 W C -3.105 173.460 176.519 0.076 0.000 1.008 234 W CA -2.842 54.587 57.345 0.140 0.000 1.557 234 W CB 0.836 30.427 29.460 0.220 0.000 1.419 234 W HN 0.154 nan 8.180 nan 0.000 0.408 235 P HA 0.024 nan 4.420 nan 0.000 0.271 235 P C -0.121 177.269 177.300 0.151 0.000 1.218 235 P CA 0.356 63.580 63.100 0.206 0.000 0.780 235 P CB 0.870 32.667 31.700 0.162 0.000 0.901 236 D N 0.390 120.835 120.400 0.075 0.000 2.423 236 D HA -0.033 4.606 4.640 -0.002 0.000 0.238 236 D C -0.174 176.200 176.300 0.123 0.000 1.142 236 D CA 0.024 54.029 54.000 0.008 0.000 0.884 236 D CB -0.230 40.592 40.800 0.037 0.000 1.199 236 D HN 0.521 nan 8.370 nan 0.000 0.438 237 H N -1.689 117.380 119.070 -0.001 0.000 3.211 237 H HA -0.190 4.364 4.556 -0.002 0.000 0.240 237 H C -0.420 174.938 175.328 0.050 0.000 1.148 237 H CA 1.530 57.590 56.048 0.021 0.000 1.160 237 H CB -1.407 28.360 29.762 0.007 0.000 1.232 237 H HN 0.594 nan 8.280 nan 0.000 0.321 238 Q N -0.819 119.079 119.800 0.163 0.000 2.892 238 Q HA 0.595 4.934 4.340 -0.002 0.000 0.307 238 Q C 0.290 176.420 176.000 0.216 0.000 1.039 238 Q CA -0.362 55.530 55.803 0.148 0.000 0.792 238 Q CB 2.266 31.088 28.738 0.140 0.000 1.504 238 Q HN 0.284 nan 8.270 nan 0.000 0.487 239 T N -2.330 112.202 114.554 -0.036 0.000 2.949 239 T HA 0.656 5.005 4.350 -0.002 0.000 0.287 239 T C -2.594 171.677 174.700 -0.715 0.000 1.034 239 T CA -2.051 59.783 62.100 -0.443 0.000 1.018 239 T CB 1.298 69.571 68.868 -0.993 0.000 1.135 239 T HN 0.166 nan 8.240 nan 0.000 0.532 240 P HA 0.315 nan 4.420 nan 0.000 0.271 240 P C 1.243 178.293 177.300 -0.416 0.000 1.244 240 P CA 0.173 62.779 63.100 -0.823 0.000 0.793 240 P CB -0.027 31.180 31.700 -0.821 0.000 0.984 241 E N -0.162 119.948 120.200 -0.151 0.000 2.077 241 E HA -0.067 4.282 4.350 -0.002 0.000 0.193 241 E C 0.973 177.584 176.600 0.018 0.000 0.989 241 E CA 1.910 58.276 56.400 -0.056 0.000 0.800 241 E CB -0.642 29.049 29.700 -0.016 0.000 0.746 241 E HN 0.660 nan 8.360 nan 0.000 0.452 242 S N -4.256 111.508 115.700 0.107 0.000 2.672 242 S HA 0.705 5.174 4.470 -0.002 0.000 0.271 242 S C 1.210 176.054 174.600 0.407 0.000 1.171 242 S CA -0.025 58.337 58.200 0.269 0.000 0.817 242 S CB 1.123 64.418 63.200 0.160 0.000 1.150 242 S HN 0.850 nan 8.310 nan 0.000 0.478 243 A N 0.625 123.637 122.820 0.319 0.000 1.935 243 A HA 0.397 4.716 4.320 -0.002 0.000 0.214 243 A C 2.124 179.783 177.584 0.125 0.000 1.178 243 A CA 1.492 53.634 52.037 0.176 0.000 0.640 243 A CB -1.755 17.181 19.000 -0.107 0.000 0.825 243 A HN 1.474 nan 8.150 nan 0.000 0.447 244 G N 1.046 109.912 108.800 0.110 0.000 2.732 244 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.222 244 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.222 244 G C -0.225 174.769 174.900 0.156 0.000 1.203 244 G CA 1.633 46.797 45.100 0.106 0.000 0.780 244 G HN 0.490 nan 8.290 nan 0.000 0.621 245 P HA -0.056 nan 4.420 nan 0.000 0.218 245 P C 1.974 179.529 177.300 0.426 0.000 1.148 245 P CA 0.617 63.908 63.100 0.318 0.000 0.822 245 P CB -0.087 31.791 31.700 0.298 0.000 0.784 246 L N -1.132 120.234 121.223 0.239 0.000 2.072 246 L HA -0.075 4.264 4.340 -0.002 0.000 0.205 246 L C 2.117 179.038 176.870 0.085 0.000 1.079 246 L CA 1.685 56.558 54.840 0.055 0.000 0.752 246 L CB -1.307 40.733 42.059 -0.032 0.000 0.906 246 L HN -0.115 nan 8.230 nan 0.000 0.436 247 L N -0.924 120.351 121.223 0.085 0.000 2.093 247 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 247 L C 2.741 179.678 176.870 0.111 0.000 1.085 247 L CA 1.140 56.014 54.840 0.057 0.000 0.755 247 L CB -0.420 41.685 42.059 0.076 0.000 0.904 247 L HN 0.239 nan 8.230 nan 0.000 0.435 248 R N -0.430 120.178 120.500 0.181 0.000 2.092 248 R HA -0.171 4.168 4.340 -0.002 0.000 0.231 248 R C 2.198 178.648 176.300 0.249 0.000 1.119 248 R CA 1.127 57.369 56.100 0.236 0.000 0.970 248 R CB -0.416 30.058 30.300 0.290 0.000 0.864 248 R HN 0.190 nan 8.270 nan 0.000 0.440 249 L N 0.738 122.111 121.223 0.250 0.000 2.017 249 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 249 L C 2.022 178.944 176.870 0.086 0.000 1.073 249 L CA 1.628 56.490 54.840 0.037 0.000 0.745 249 L CB -0.408 41.681 42.059 0.050 0.000 0.894 249 L HN -0.111 nan 8.230 nan 0.000 0.432 250 V N 0.297 120.311 119.914 0.166 0.000 2.392 250 V HA -0.312 3.807 4.120 -0.002 0.000 0.249 250 V C 2.780 178.913 176.094 0.064 0.000 1.059 250 V CA 1.713 64.082 62.300 0.114 0.000 1.051 250 V CB -1.360 30.408 31.823 -0.091 0.000 0.658 250 V HN 0.652 nan 8.190 nan 0.000 0.455 251 A N -0.211 122.650 122.820 0.068 0.000 1.970 251 A HA -0.158 4.161 4.320 -0.002 0.000 0.216 251 A C 2.171 179.795 177.584 0.067 0.000 1.170 251 A CA 1.505 53.584 52.037 0.070 0.000 0.645 251 A CB -0.402 18.656 19.000 0.097 0.000 0.816 251 A HN 0.527 nan 8.150 nan 0.000 0.447 252 E N 0.073 120.308 120.200 0.058 0.000 2.153 252 E HA -0.116 4.233 4.350 -0.002 0.000 0.194 252 E C 1.693 178.295 176.600 0.003 0.000 0.988 252 E CA 1.582 57.998 56.400 0.026 0.000 0.811 252 E CB -0.327 29.293 29.700 -0.133 0.000 0.746 252 E HN 0.251 nan 8.360 nan 0.000 0.466 253 V N 0.799 120.724 119.914 0.018 0.000 2.302 253 V HA -0.149 3.970 4.120 -0.002 0.000 0.243 253 V C 2.205 178.329 176.094 0.050 0.000 1.036 253 V CA 1.717 64.047 62.300 0.050 0.000 1.020 253 V CB -0.463 31.458 31.823 0.164 0.000 0.657 253 V HN 0.236 nan 8.190 nan 0.000 0.453 254 E N 0.767 120.996 120.200 0.048 0.000 2.086 254 E HA -0.267 4.082 4.350 -0.002 0.000 0.200 254 E C 1.831 178.444 176.600 0.023 0.000 1.012 254 E CA 1.787 58.203 56.400 0.027 0.000 0.812 254 E CB -0.303 29.409 29.700 0.020 0.000 0.743 254 E HN 0.747 nan 8.360 nan 0.000 0.453 255 E N 0.344 120.562 120.200 0.032 0.000 2.403 255 E HA 0.106 4.455 4.350 -0.002 0.000 0.188 255 E C -0.237 176.381 176.600 0.029 0.000 1.056 255 E CA -0.162 56.257 56.400 0.031 0.000 0.892 255 E CB 0.453 30.178 29.700 0.042 0.000 1.049 255 E HN -0.127 nan 8.360 nan 0.000 0.465 256 S N 3.611 119.326 115.700 0.024 0.000 2.422 256 S HA 0.149 4.618 4.470 -0.002 0.000 0.283 256 S C -1.974 172.634 174.600 0.014 0.000 1.163 256 S CA -1.291 56.922 58.200 0.021 0.000 1.054 256 S CB 0.377 63.587 63.200 0.016 0.000 0.967 256 S HN 0.145 nan 8.310 nan 0.000 0.499 257 P HA 0.030 nan 4.420 nan 0.000 0.264 257 P C -0.451 176.852 177.300 0.004 0.000 1.183 257 P CA -0.002 63.104 63.100 0.010 0.000 0.763 257 P CB 0.430 32.138 31.700 0.013 0.000 0.807 258 E N 1.874 122.072 120.200 -0.003 0.000 2.206 258 E HA 0.330 4.679 4.350 -0.002 0.000 0.244 258 E C 1.547 178.140 176.600 -0.012 0.000 1.055 258 E CA -0.002 56.392 56.400 -0.011 0.000 0.970 258 E CB -0.581 29.109 29.700 -0.017 0.000 1.256 258 E HN 0.572 nan 8.360 nan 0.000 0.456 259 T N 1.730 116.278 114.554 -0.009 0.000 2.580 259 T HA -0.111 4.238 4.350 -0.002 0.000 0.265 259 T C 1.116 175.806 174.700 -0.017 0.000 1.063 259 T CA 1.583 63.677 62.100 -0.009 0.000 1.170 259 T CB -0.434 68.431 68.868 -0.005 0.000 0.863 259 T HN 0.543 nan 8.240 nan 0.000 0.418 260 A N 0.106 122.910 122.820 -0.027 0.000 2.429 260 A HA 0.623 4.941 4.320 -0.002 0.000 0.242 260 A C 2.061 179.625 177.584 -0.033 0.000 1.088 260 A CA 0.571 52.587 52.037 -0.035 0.000 0.784 260 A CB -0.145 18.824 19.000 -0.052 0.000 1.038 260 A HN 1.046 nan 8.150 nan 0.000 0.501 261 A N -0.455 122.344 122.820 -0.034 0.000 1.943 261 A HA 0.396 4.715 4.320 -0.002 0.000 0.213 261 A C 1.426 178.988 177.584 -0.037 0.000 1.181 261 A CA 1.639 53.657 52.037 -0.031 0.000 0.653 261 A CB -0.867 18.117 19.000 -0.026 0.000 0.833 261 A HN 1.894 nan 8.150 nan 0.000 0.451 262 H N 0.694 119.736 119.070 -0.045 0.000 2.410 262 H HA 0.596 5.151 4.556 -0.002 0.000 0.232 262 H C -2.710 172.581 175.328 -0.061 0.000 1.535 262 H CA -2.088 53.929 56.048 -0.052 0.000 1.310 262 H CB -1.073 28.656 29.762 -0.054 0.000 1.518 262 H HN 0.298 nan 8.280 nan 0.000 0.545 263 P HA 0.194 nan 4.420 nan 0.000 0.264 263 P C 1.077 178.334 177.300 -0.072 0.000 1.183 263 P CA 0.603 63.666 63.100 -0.062 0.000 0.763 263 P CB 1.108 32.774 31.700 -0.058 0.000 0.807 264 G N 3.674 112.431 108.800 -0.072 0.000 2.599 264 G HA2 0.410 4.369 3.960 -0.002 0.000 0.264 264 G HA3 0.410 4.369 3.960 -0.002 0.000 0.264 264 G C -2.438 172.421 174.900 -0.069 0.000 1.200 264 G CA -1.096 43.962 45.100 -0.070 0.000 0.896 264 G HN 0.352 nan 8.290 nan 0.000 0.536 265 P HA 0.149 nan 4.420 nan 0.000 0.269 265 P C -0.233 177.042 177.300 -0.042 0.000 1.209 265 P CA -0.033 63.039 63.100 -0.047 0.000 0.776 265 P CB 0.894 32.623 31.700 0.049 0.000 0.876 266 I N 1.907 122.440 120.570 -0.060 0.000 2.416 266 I HA 0.075 4.244 4.170 -0.002 0.000 0.288 266 I C 0.429 176.605 176.117 0.098 0.000 1.051 266 I CA -0.562 60.750 61.300 0.019 0.000 1.375 266 I CB 0.875 38.906 38.000 0.052 0.000 1.407 266 I HN 0.011 nan 8.210 nan 0.000 0.516 267 V N 7.950 127.904 119.914 0.066 0.000 2.488 267 V HA 0.215 4.334 4.120 -0.002 0.000 0.277 267 V C 0.114 176.265 176.094 0.095 0.000 1.046 267 V CA -0.317 62.029 62.300 0.078 0.000 0.986 267 V CB 1.439 33.289 31.823 0.045 0.000 0.989 267 V HN 0.381 nan 8.190 nan 0.000 0.475 268 V N 5.726 125.701 119.914 0.101 0.000 2.540 268 V HA 0.622 4.741 4.120 -0.002 0.000 0.302 268 V C -0.573 175.547 176.094 0.044 0.000 1.035 268 V CA -0.652 61.644 62.300 -0.007 0.000 0.873 268 V CB 1.723 33.550 31.823 0.008 0.000 0.992 268 V HN 1.165 nan 8.190 nan 0.000 0.428 269 H N 1.478 120.509 119.070 -0.064 0.000 2.961 269 H HA 0.918 5.473 4.556 -0.002 0.000 0.371 269 H C -0.620 174.655 175.328 -0.088 0.000 1.190 269 H CA -0.384 55.633 56.048 -0.053 0.000 1.138 269 H CB 2.065 31.818 29.762 -0.015 0.000 1.816 269 H HN 0.699 nan 8.280 nan 0.000 0.551 270 S N 0.719 116.473 115.700 0.090 0.000 2.671 270 S HA 0.340 4.809 4.470 -0.002 0.000 0.277 270 S C 0.363 175.019 174.600 0.094 0.000 1.165 270 S CA -0.344 57.873 58.200 0.028 0.000 0.822 270 S CB 1.136 64.246 63.200 -0.150 0.000 1.150 270 S HN 0.623 nan 8.310 nan 0.000 0.479 271 S N 0.995 116.750 115.700 0.091 0.000 2.390 271 S HA -0.216 4.253 4.470 -0.002 0.000 0.234 271 S C 1.898 176.635 174.600 0.228 0.000 1.063 271 S CA 2.016 60.304 58.200 0.145 0.000 1.108 271 S CB -1.004 62.321 63.200 0.208 0.000 0.975 271 S HN 1.115 nan 8.310 nan 0.000 0.442 272 A N -0.394 122.571 122.820 0.241 0.000 2.115 272 A HA 0.537 4.856 4.320 -0.002 0.000 0.211 272 A C 1.664 179.320 177.584 0.120 0.000 1.169 272 A CA 0.859 53.057 52.037 0.270 0.000 0.787 272 A CB -0.469 18.596 19.000 0.107 0.000 0.858 272 A HN 1.228 nan 8.150 nan 0.000 0.474 273 G N -0.277 108.553 108.800 0.051 0.000 2.149 273 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.235 273 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.235 273 G C 0.602 175.509 174.900 0.012 0.000 1.018 273 G CA 0.831 45.948 45.100 0.029 0.000 0.728 273 G HN 1.356 nan 8.290 nan 0.000 0.508 274 I N -5.143 115.418 120.570 -0.015 0.000 5.010 274 I HA 0.455 4.624 4.170 -0.002 0.000 0.329 274 I C 1.810 177.894 176.117 -0.054 0.000 1.229 274 I CA 0.757 62.052 61.300 -0.008 0.000 1.399 274 I CB -0.322 37.717 38.000 0.064 0.000 1.459 274 I HN 0.079 nan 8.210 nan 0.000 0.500 275 G N 1.821 110.544 108.800 -0.129 0.000 2.624 275 G HA2 0.020 3.979 3.960 -0.002 0.000 0.216 275 G HA3 0.020 3.979 3.960 -0.002 0.000 0.216 275 G C 1.564 176.325 174.900 -0.233 0.000 1.274 275 G CA 0.533 45.528 45.100 -0.175 0.000 0.856 275 G HN 0.158 nan 8.290 nan 0.000 0.555 276 R N -0.213 120.016 120.500 -0.451 0.000 2.083 276 R HA -0.036 4.303 4.340 -0.002 0.000 0.237 276 R C 2.880 178.875 176.300 -0.507 0.000 1.137 276 R CA 1.844 57.431 56.100 -0.856 0.000 0.951 276 R CB -0.791 28.701 30.300 -1.345 0.000 0.851 276 R HN 0.301 nan 8.270 nan 0.000 0.434 277 T N -0.135 114.239 114.554 -0.299 0.000 2.684 277 T HA -0.159 4.190 4.350 -0.002 0.000 0.267 277 T C 1.889 176.556 174.700 -0.055 0.000 1.036 277 T CA 1.598 63.616 62.100 -0.137 0.000 1.148 277 T CB -0.636 68.179 68.868 -0.088 0.000 0.863 277 T HN 0.587 nan 8.240 nan 0.000 0.436 278 G N 0.261 109.026 108.800 -0.059 0.000 2.440 278 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.218 278 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.218 278 G C 1.908 176.819 174.900 0.018 0.000 1.154 278 G CA 1.193 46.283 45.100 -0.017 0.000 0.767 278 G HN 0.563 nan 8.290 nan 0.000 0.552 279 C N -0.272 119.071 119.300 0.072 0.000 2.453 279 C HA 0.070 4.529 4.460 -0.002 0.000 0.277 279 C C 2.411 177.509 174.990 0.182 0.000 1.262 279 C CA 0.559 59.698 59.018 0.202 0.000 1.718 279 C CB -1.258 26.759 27.740 0.462 0.000 2.031 279 C HN 0.459 nan 8.230 nan 0.000 0.480 280 F N 1.790 121.789 119.950 0.083 0.000 2.069 280 F HA -0.143 4.383 4.527 -0.002 0.000 0.298 280 F C 2.107 177.838 175.800 -0.114 0.000 1.113 280 F CA 1.704 59.715 58.000 0.017 0.000 1.214 280 F CB -0.520 38.440 39.000 -0.066 0.000 0.978 280 F HN 0.137 nan 8.300 nan 0.000 0.474 281 I N 0.130 120.524 120.570 -0.294 0.000 2.315 281 I HA -0.236 3.933 4.170 -0.002 0.000 0.248 281 I C 2.582 178.437 176.117 -0.436 0.000 1.117 281 I CA 1.087 62.039 61.300 -0.580 0.000 1.404 281 I CB -0.718 36.936 38.000 -0.577 0.000 1.071 281 I HN 0.278 nan 8.210 nan 0.000 0.419 282 A N -0.094 122.585 122.820 -0.234 0.000 2.015 282 A HA -0.163 4.156 4.320 -0.002 0.000 0.219 282 A C 2.326 179.789 177.584 -0.202 0.000 1.163 282 A CA 2.101 54.046 52.037 -0.153 0.000 0.646 282 A CB -0.826 18.152 19.000 -0.036 0.000 0.806 282 A HN 0.356 nan 8.150 nan 0.000 0.448 283 T N -0.972 113.422 114.554 -0.267 0.000 2.896 283 T HA -0.067 4.282 4.350 -0.002 0.000 0.263 283 T C 2.057 176.529 174.700 -0.381 0.000 1.050 283 T CA 1.372 63.300 62.100 -0.287 0.000 1.140 283 T CB -0.139 68.574 68.868 -0.258 0.000 0.877 283 T HN 0.604 nan 8.240 nan 0.000 0.457 284 R N 0.727 120.933 120.500 -0.491 0.000 2.066 284 R HA 0.071 4.410 4.340 -0.002 0.000 0.232 284 R C 2.300 178.457 176.300 -0.239 0.000 1.131 284 R CA 1.227 57.082 56.100 -0.408 0.000 0.955 284 R CB -0.406 29.642 30.300 -0.419 0.000 0.851 284 R HN 0.341 nan 8.270 nan 0.000 0.432 285 I N 0.227 120.697 120.570 -0.166 0.000 2.286 285 I HA -0.161 4.008 4.170 -0.002 0.000 0.248 285 I C 2.357 178.443 176.117 -0.051 0.000 1.115 285 I CA 1.443 62.728 61.300 -0.025 0.000 1.392 285 I CB -0.486 37.521 38.000 0.012 0.000 1.065 285 I HN 0.457 nan 8.210 nan 0.000 0.418 286 G N -0.133 108.586 108.800 -0.134 0.000 2.408 286 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.217 286 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.217 286 G C 1.700 176.501 174.900 -0.165 0.000 1.150 286 G CA 0.806 45.827 45.100 -0.131 0.000 0.776 286 G HN 0.395 nan 8.290 nan 0.000 0.542 287 C N 0.250 119.355 119.300 -0.324 0.000 2.429 287 C HA -0.055 4.404 4.460 -0.002 0.000 0.277 287 C C 2.962 177.830 174.990 -0.203 0.000 1.262 287 C CA 1.057 59.766 59.018 -0.516 0.000 1.733 287 C CB -0.997 26.143 27.740 -0.999 0.000 2.010 287 C HN 0.530 nan 8.230 nan 0.000 0.483 288 Q N 0.377 120.050 119.800 -0.211 0.000 2.061 288 Q HA -0.248 4.091 4.340 -0.002 0.000 0.204 288 Q C 2.335 178.174 176.000 -0.270 0.000 0.984 288 Q CA 1.676 57.311 55.803 -0.279 0.000 0.846 288 Q CB -0.257 28.241 28.738 -0.399 0.000 0.902 288 Q HN 0.728 nan 8.270 nan 0.000 0.421 289 Q N 0.431 120.208 119.800 -0.038 0.000 2.030 289 Q HA -0.179 4.160 4.340 -0.002 0.000 0.204 289 Q C 2.252 178.286 176.000 0.058 0.000 0.986 289 Q CA 1.235 57.118 55.803 0.132 0.000 0.843 289 Q CB -0.275 28.570 28.738 0.178 0.000 0.904 289 Q HN 0.378 nan 8.270 nan 0.000 0.420 290 L N 0.824 122.076 121.223 0.049 0.000 2.013 290 L HA -0.261 4.077 4.340 -0.002 0.000 0.212 290 L C 2.642 179.551 176.870 0.065 0.000 1.073 290 L CA 1.472 56.357 54.840 0.075 0.000 0.753 290 L CB -0.439 41.711 42.059 0.151 0.000 0.890 290 L HN 0.217 nan 8.230 nan 0.000 0.432 291 K N -0.103 120.346 120.400 0.082 0.000 2.057 291 K HA -0.174 4.145 4.320 -0.002 0.000 0.207 291 K C 2.066 178.655 176.600 -0.017 0.000 1.049 291 K CA 1.397 57.704 56.287 0.034 0.000 0.931 291 K CB -0.056 32.473 32.500 0.049 0.000 0.714 291 K HN 0.294 nan 8.250 nan 0.000 0.440 292 A N 0.837 123.627 122.820 -0.050 0.000 1.970 292 A HA -0.023 4.296 4.320 -0.002 0.000 0.216 292 A C 1.667 179.270 177.584 0.031 0.000 1.170 292 A CA 0.938 52.959 52.037 -0.027 0.000 0.645 292 A CB -0.020 18.946 19.000 -0.057 0.000 0.816 292 A HN 0.294 nan 8.150 nan 0.000 0.447 293 R N -2.416 118.112 120.500 0.047 0.000 2.531 293 R HA 0.252 4.591 4.340 -0.002 0.000 0.316 293 R C 1.087 177.409 176.300 0.037 0.000 0.955 293 R CA 0.473 56.605 56.100 0.054 0.000 1.120 293 R CB 0.462 30.811 30.300 0.081 0.000 1.361 293 R HN 0.589 nan 8.270 nan 0.000 0.534 294 G N 2.620 111.437 108.800 0.029 0.000 2.180 294 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.263 294 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.263 294 G C -0.075 174.843 174.900 0.031 0.000 0.989 294 G CA 1.320 46.434 45.100 0.023 0.000 0.692 294 G HN 0.549 nan 8.290 nan 0.000 0.526 295 E N -2.189 118.032 120.200 0.034 0.000 2.429 295 E HA 0.782 5.131 4.350 -0.002 0.000 0.276 295 E C -1.356 175.257 176.600 0.022 0.000 0.953 295 E CA -1.076 55.340 56.400 0.026 0.000 0.787 295 E CB 2.571 32.288 29.700 0.028 0.000 1.307 295 E HN 0.756 nan 8.360 nan 0.000 0.458 296 V N 0.821 120.731 119.914 -0.007 0.000 2.841 296 V HA 0.375 4.494 4.120 -0.002 0.000 0.310 296 V C -1.854 174.212 176.094 -0.046 0.000 1.090 296 V CA -0.607 61.678 62.300 -0.026 0.000 0.930 296 V CB 2.060 33.843 31.823 -0.067 0.000 1.014 296 V HN 0.842 nan 8.190 nan 0.000 0.425 297 D N 4.934 125.316 120.400 -0.029 0.000 2.472 297 D HA 0.396 5.035 4.640 -0.002 0.000 0.234 297 D C 0.777 177.064 176.300 -0.022 0.000 1.088 297 D CA -0.130 53.859 54.000 -0.017 0.000 0.882 297 D CB 1.341 42.148 40.800 0.012 0.000 1.037 297 D HN 0.504 nan 8.370 nan 0.000 0.520 298 I N 2.851 123.380 120.570 -0.069 0.000 2.406 298 I HA -0.149 4.020 4.170 -0.002 0.000 0.249 298 I C 2.143 178.337 176.117 0.128 0.000 1.122 298 I CA 0.246 61.496 61.300 -0.082 0.000 1.431 298 I CB 0.033 37.804 38.000 -0.382 0.000 1.087 298 I HN 0.364 nan 8.210 nan 0.000 0.424 299 L N 1.257 122.616 121.223 0.227 0.000 2.012 299 L HA -0.113 4.226 4.340 -0.002 0.000 0.210 299 L C 2.291 179.269 176.870 0.180 0.000 1.073 299 L CA 2.363 57.399 54.840 0.328 0.000 0.748 299 L CB -1.421 40.838 42.059 0.334 0.000 0.891 299 L HN 0.205 nan 8.230 nan 0.000 0.431 300 G N -0.344 108.514 108.800 0.098 0.000 2.421 300 G HA2 -0.261 3.697 3.960 -0.002 0.000 0.216 300 G HA3 -0.261 3.697 3.960 -0.002 0.000 0.216 300 G C 1.688 176.612 174.900 0.040 0.000 1.171 300 G CA 1.122 46.243 45.100 0.035 0.000 0.775 300 G HN 0.481 nan 8.290 nan 0.000 0.543 301 I N 0.317 120.914 120.570 0.046 0.000 2.163 301 I HA -0.204 3.964 4.170 -0.002 0.000 0.243 301 I C 2.814 178.968 176.117 0.062 0.000 1.085 301 I CA 0.800 62.121 61.300 0.035 0.000 1.347 301 I CB -0.165 37.844 38.000 0.015 0.000 1.044 301 I HN 0.051 nan 8.210 nan 0.000 0.408 302 V N -0.288 119.701 119.914 0.126 0.000 2.427 302 V HA -0.316 3.803 4.120 -0.002 0.000 0.248 302 V C 2.527 178.674 176.094 0.088 0.000 1.051 302 V CA 1.694 64.083 62.300 0.149 0.000 1.048 302 V CB -0.614 31.382 31.823 0.287 0.000 0.666 302 V HN 0.579 nan 8.190 nan 0.000 0.456 303 C N -0.386 118.967 119.300 0.089 0.000 2.413 303 C HA -0.171 4.288 4.460 -0.002 0.000 0.276 303 C C 2.873 177.881 174.990 0.029 0.000 1.248 303 C CA 0.861 59.916 59.018 0.062 0.000 1.742 303 C CB -0.985 26.785 27.740 0.051 0.000 2.017 303 C HN 0.572 nan 8.230 nan 0.000 0.481 304 Q N 0.188 120.001 119.800 0.021 0.000 2.172 304 Q HA 0.029 4.368 4.340 -0.002 0.000 0.200 304 Q C 2.219 178.229 176.000 0.016 0.000 0.964 304 Q CA 1.037 56.847 55.803 0.011 0.000 0.855 304 Q CB -0.420 28.320 28.738 0.003 0.000 0.918 304 Q HN 0.686 nan 8.270 nan 0.000 0.444 305 L N 0.298 121.532 121.223 0.019 0.000 2.056 305 L HA -0.144 4.195 4.340 -0.002 0.000 0.207 305 L C 2.491 179.362 176.870 0.002 0.000 1.078 305 L CA 1.092 55.940 54.840 0.013 0.000 0.749 305 L CB -0.380 41.684 42.059 0.008 0.000 0.901 305 L HN 0.154 nan 8.230 nan 0.000 0.433 306 R N 0.065 120.558 120.500 -0.012 0.000 2.193 306 R HA -0.098 4.241 4.340 -0.002 0.000 0.229 306 R C 2.207 178.487 176.300 -0.033 0.000 1.110 306 R CA 0.950 57.019 56.100 -0.051 0.000 0.988 306 R CB -0.354 29.891 30.300 -0.090 0.000 0.871 306 R HN 0.397 nan 8.270 nan 0.000 0.458 307 L N 0.676 121.895 121.223 -0.006 0.000 2.093 307 L HA -0.172 4.166 4.340 -0.002 0.000 0.208 307 L C 1.538 178.419 176.870 0.017 0.000 1.085 307 L CA 1.139 55.982 54.840 0.005 0.000 0.755 307 L CB -0.293 41.772 42.059 0.010 0.000 0.904 307 L HN 0.094 nan 8.230 nan 0.000 0.435 308 D N -0.441 119.974 120.400 0.025 0.000 2.183 308 D HA -0.025 4.614 4.640 -0.002 0.000 0.205 308 D C 0.937 177.259 176.300 0.037 0.000 0.962 308 D CA 0.785 54.812 54.000 0.045 0.000 0.849 308 D CB 0.240 41.079 40.800 0.064 0.000 0.978 308 D HN 0.139 nan 8.370 nan 0.000 0.488 309 R N 0.162 120.674 120.500 0.020 0.000 2.523 309 R HA 0.450 4.789 4.340 -0.002 0.000 0.278 309 R C -0.429 175.870 176.300 -0.002 0.000 1.150 309 R CA -0.460 55.654 56.100 0.023 0.000 0.987 309 R CB 1.331 31.648 30.300 0.029 0.000 1.232 309 R HN -0.016 nan 8.270 nan 0.000 0.424 310 G N 0.832 109.635 108.800 0.005 0.000 2.491 310 G HA2 0.384 4.343 3.960 -0.002 0.000 0.242 310 G HA3 0.384 4.343 3.960 -0.002 0.000 0.242 310 G C 0.984 175.746 174.900 -0.229 0.000 1.266 310 G CA 0.412 45.420 45.100 -0.153 0.000 0.844 310 G HN 1.194 nan 8.290 nan 0.000 0.571 311 G N 0.781 109.218 108.800 -0.605 0.000 2.205 311 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.261 311 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.261 311 G C 0.752 175.617 174.900 -0.058 0.000 0.980 311 G CA 0.424 45.297 45.100 -0.379 0.000 0.632 311 G HN 0.683 nan 8.290 nan 0.000 0.533 312 M N 1.044 120.620 119.600 -0.041 0.000 2.323 312 M HA 0.210 4.689 4.480 -0.002 0.000 0.386 312 M C 1.315 177.655 176.300 0.067 0.000 1.525 312 M CA 0.892 56.200 55.300 0.012 0.000 0.914 312 M CB -1.128 31.476 32.600 0.007 0.000 2.042 312 M HN 0.730 nan 8.290 nan 0.000 0.483 313 I N 2.644 123.267 120.570 0.088 0.000 7.932 313 I HA -0.311 3.858 4.170 -0.002 0.000 0.126 313 I C 0.746 177.008 176.117 0.243 0.000 1.847 313 I CA 0.139 61.539 61.300 0.167 0.000 2.038 313 I CB -0.770 37.396 38.000 0.278 0.000 3.738 313 I HN 0.791 nan 8.210 nan 0.000 0.169 314 Q N 2.402 122.285 119.800 0.139 0.000 2.297 314 Q HA 0.045 4.384 4.340 -0.002 0.000 0.203 314 Q C 0.994 177.165 176.000 0.285 0.000 0.931 314 Q CA 1.656 57.565 55.803 0.176 0.000 0.885 314 Q CB 0.605 29.309 28.738 -0.057 0.000 0.991 314 Q HN 0.858 nan 8.270 nan 0.000 0.498 315 T N -4.648 109.936 114.554 0.050 0.000 2.916 315 T HA 0.627 4.976 4.350 -0.002 0.000 0.292 315 T C 0.574 174.841 174.700 -0.721 0.000 1.055 315 T CA -0.317 61.726 62.100 -0.095 0.000 1.009 315 T CB 1.785 70.660 68.868 0.012 0.000 1.118 315 T HN -0.017 nan 8.240 nan 0.000 0.497 316 A N 0.301 122.741 122.820 -0.632 0.000 1.968 316 A HA 0.035 4.354 4.320 -0.002 0.000 0.217 316 A C 2.135 179.551 177.584 -0.281 0.000 1.169 316 A CA 1.624 53.238 52.037 -0.705 0.000 0.638 316 A CB -0.971 17.953 19.000 -0.127 0.000 0.812 316 A HN 1.017 nan 8.150 nan 0.000 0.446 317 E N -0.077 120.037 120.200 -0.143 0.000 2.077 317 E HA -0.261 4.088 4.350 -0.002 0.000 0.193 317 E C 2.073 178.680 176.600 0.012 0.000 0.989 317 E CA 1.355 57.735 56.400 -0.033 0.000 0.800 317 E CB -0.190 29.506 29.700 -0.006 0.000 0.746 317 E HN 0.755 nan 8.360 nan 0.000 0.452 318 Q N -0.659 119.126 119.800 -0.025 0.000 2.096 318 Q HA -0.224 4.115 4.340 -0.002 0.000 0.204 318 Q C 1.965 178.052 176.000 0.145 0.000 0.982 318 Q CA 1.730 57.578 55.803 0.074 0.000 0.850 318 Q CB -0.297 28.479 28.738 0.063 0.000 0.901 318 Q HN 0.391 nan 8.270 nan 0.000 0.422 319 Y N 1.477 121.675 120.300 -0.170 0.000 2.274 319 Y HA -0.216 4.333 4.550 -0.002 0.000 0.290 319 Y C 1.964 177.939 175.900 0.124 0.000 1.145 319 Y CA 1.532 59.607 58.100 -0.041 0.000 1.203 319 Y CB 0.079 38.386 38.460 -0.255 0.000 0.984 319 Y HN 0.123 nan 8.280 nan 0.000 0.533 320 Q N -1.735 118.119 119.800 0.090 0.000 2.123 320 Q HA -0.164 4.175 4.340 -0.002 0.000 0.199 320 Q C 2.053 178.120 176.000 0.112 0.000 0.966 320 Q CA 1.494 57.310 55.803 0.022 0.000 0.845 320 Q CB -0.422 28.320 28.738 0.007 0.000 0.907 320 Q HN 0.507 nan 8.270 nan 0.000 0.439 321 F N 1.061 121.016 119.950 0.009 0.000 2.171 321 F HA -0.216 4.310 4.527 -0.002 0.000 0.300 321 F C 1.877 177.708 175.800 0.051 0.000 1.090 321 F CA 0.743 58.755 58.000 0.021 0.000 1.293 321 F CB -0.077 38.916 39.000 -0.012 0.000 1.013 321 F HN 0.067 nan 8.300 nan 0.000 0.486 322 L N 0.257 121.568 121.223 0.146 0.000 2.012 322 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 322 L C 2.246 179.024 176.870 -0.153 0.000 1.073 322 L CA 2.148 56.978 54.840 -0.018 0.000 0.748 322 L CB -1.232 40.806 42.059 -0.035 0.000 0.891 322 L HN 0.157 nan 8.230 nan 0.000 0.431 323 H N -2.296 116.650 119.070 -0.208 0.000 2.353 323 H HA -0.167 4.388 4.556 -0.002 0.000 0.300 323 H C 2.179 177.401 175.328 -0.177 0.000 1.090 323 H CA 1.858 57.787 56.048 -0.199 0.000 1.327 323 H CB -0.441 29.203 29.762 -0.197 0.000 1.383 323 H HN 0.595 nan 8.280 nan 0.000 0.508 324 H N 0.070 119.045 119.070 -0.159 0.000 2.290 324 H HA -0.142 4.413 4.556 -0.002 0.000 0.298 324 H C 1.929 177.050 175.328 -0.345 0.000 1.087 324 H CA 2.437 58.322 56.048 -0.272 0.000 1.291 324 H CB -0.263 29.274 29.762 -0.375 0.000 1.369 324 H HN 0.241 nan 8.280 nan 0.000 0.492 325 T N 0.884 115.178 114.554 -0.433 0.000 2.684 325 T HA -0.149 4.200 4.350 -0.002 0.000 0.267 325 T C 2.202 176.751 174.700 -0.252 0.000 1.036 325 T CA 1.600 63.460 62.100 -0.400 0.000 1.148 325 T CB -0.336 68.328 68.868 -0.341 0.000 0.863 325 T HN 0.249 nan 8.240 nan 0.000 0.436 326 L N 0.506 121.599 121.223 -0.215 0.000 2.156 326 L HA 0.036 4.375 4.340 -0.002 0.000 0.208 326 L C 3.003 179.812 176.870 -0.102 0.000 1.095 326 L CA 0.752 55.509 54.840 -0.137 0.000 0.770 326 L CB -0.611 41.339 42.059 -0.182 0.000 0.914 326 L HN 0.246 nan 8.230 nan 0.000 0.439 327 A N 0.292 123.006 122.820 -0.177 0.000 1.902 327 A HA -0.187 4.132 4.320 -0.002 0.000 0.217 327 A C 2.257 179.728 177.584 -0.189 0.000 1.181 327 A CA 1.376 53.306 52.037 -0.180 0.000 0.623 327 A CB -0.654 18.221 19.000 -0.208 0.000 0.818 327 A HN 0.335 nan 8.150 nan 0.000 0.443 328 L N -2.102 118.966 121.223 -0.258 0.000 2.012 328 L HA -0.234 4.105 4.340 -0.002 0.000 0.210 328 L C 2.614 179.428 176.870 -0.094 0.000 1.073 328 L CA 2.035 56.748 54.840 -0.212 0.000 0.748 328 L CB -0.596 41.305 42.059 -0.264 0.000 0.891 328 L HN 0.626 nan 8.230 nan 0.000 0.431 329 Y N 0.510 120.705 120.300 -0.175 0.000 2.224 329 Y HA -0.277 4.272 4.550 -0.002 0.000 0.289 329 Y C 2.426 178.262 175.900 -0.107 0.000 1.146 329 Y CA 1.084 59.107 58.100 -0.128 0.000 1.182 329 Y CB -0.358 38.025 38.460 -0.128 0.000 0.983 329 Y HN 0.138 nan 8.280 nan 0.000 0.524 330 A N 0.286 123.023 122.820 -0.138 0.000 1.892 330 A HA -0.222 4.097 4.320 -0.002 0.000 0.218 330 A C 2.518 179.971 177.584 -0.220 0.000 1.188 330 A CA 2.056 53.984 52.037 -0.182 0.000 0.631 330 A CB -1.771 17.172 19.000 -0.095 0.000 0.822 330 A HN 0.597 nan 8.150 nan 0.000 0.447 331 G N -0.325 108.366 108.800 -0.182 0.000 2.432 331 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.219 331 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.219 331 G C 1.494 176.290 174.900 -0.173 0.000 1.135 331 G CA 1.017 46.027 45.100 -0.151 0.000 0.767 331 G HN 0.821 nan 8.290 nan 0.000 0.550 332 Q N -0.173 119.482 119.800 -0.240 0.000 2.444 332 Q HA 0.250 4.589 4.340 -0.002 0.000 0.206 332 Q C 0.430 176.262 176.000 -0.281 0.000 0.948 332 Q CA -0.166 55.499 55.803 -0.230 0.000 0.946 332 Q CB -0.152 28.475 28.738 -0.185 0.000 1.027 332 Q HN 0.311 nan 8.270 nan 0.000 0.513 333 L N 3.574 124.598 121.223 -0.332 0.000 2.326 333 L HA 0.384 4.723 4.340 -0.002 0.000 0.278 333 L C -1.819 174.958 176.870 -0.155 0.000 1.092 333 L CA -2.275 52.400 54.840 -0.276 0.000 0.810 333 L CB 0.532 42.418 42.059 -0.288 0.000 1.153 333 L HN 0.088 nan 8.230 nan 0.000 0.439 334 P HA -0.055 nan 4.420 nan 0.000 0.267 334 P C -0.209 177.053 177.300 -0.063 0.000 1.195 334 P CA 0.206 63.263 63.100 -0.072 0.000 0.773 334 P CB 0.472 32.138 31.700 -0.057 0.000 0.837 335 E N 0.000 120.174 120.200 -0.044 0.000 2.725 335 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 335 E CA 0.000 56.380 56.400 -0.033 0.000 0.976 335 E CB 0.000 29.680 29.700 -0.034 0.000 0.812 335 E HN 0.000 nan 8.360 nan 0.000 0.440