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 1lbh_1_D DATA FIRST_RESID 62 DATA SEQUENCE LLIGVATSSL ALHAPSQIVA AIKSRADQLG ASVVVSMVER SGVEACKTAV DATA SEQUENCE HNLLAQRVSG LIINYPLDDQ DAIAVEAACT NVPALFLDVS DQTPINSIIF DATA SEQUENCE SHEDGTRLGV EHLVALGHQQ IALLAGPLSS VSARLRLAGW HKYLTRNQIQ DATA SEQUENCE PIAEREGDWS AMSGFQQTMQ MLNEGIVPTA MLVANDQMAL GAMRAITESG DATA SEQUENCE LRVGADISVV GYDDTEDSSC YIPPLTTIKQ DFRLLGQTSV DRLLQLSQGQ DATA SEQUENCE AVKGNQLLPV SLVKRKTTLA PNTQTASPRA LADSLMQLAR QVSRLE 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 62 L HA 0.000 nan 4.340 nan 0.000 0.249 62 L C 0.000 176.862 176.870 -0.013 0.000 1.165 62 L CA 0.000 54.833 54.840 -0.011 0.000 0.813 62 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 63 L N 3.445 124.659 121.223 -0.015 0.000 2.341 63 L HA 0.699 5.038 4.340 -0.002 0.000 0.278 63 L C -0.817 176.040 176.870 -0.022 0.000 1.005 63 L CA -0.665 54.165 54.840 -0.016 0.000 0.818 63 L CB 1.974 44.024 42.059 -0.015 0.000 1.259 63 L HN 0.504 nan 8.230 nan 0.000 0.418 64 I N 3.757 124.313 120.570 -0.023 0.000 2.339 64 I HA 0.351 4.520 4.170 -0.002 0.000 0.290 64 I C 0.612 176.710 176.117 -0.032 0.000 0.994 64 I CA -0.458 60.824 61.300 -0.030 0.000 1.191 64 I CB 1.716 39.701 38.000 -0.026 0.000 1.343 64 I HN 0.597 nan 8.210 nan 0.000 0.458 65 G N 5.518 114.293 108.800 -0.042 0.000 2.356 65 G HA2 0.530 4.489 3.960 -0.002 0.000 0.298 65 G HA3 0.530 4.489 3.960 -0.002 0.000 0.298 65 G C -0.637 174.233 174.900 -0.050 0.000 1.145 65 G CA -0.274 44.800 45.100 -0.044 0.000 0.850 65 G HN 0.369 nan 8.290 nan 0.000 0.487 66 V N 2.052 121.942 119.914 -0.039 0.000 2.304 66 V HA 0.534 4.653 4.120 -0.002 0.000 0.278 66 V C 0.511 176.586 176.094 -0.031 0.000 1.018 66 V CA -0.979 61.300 62.300 -0.036 0.000 0.814 66 V CB 1.050 32.861 31.823 -0.020 0.000 1.021 66 V HN 1.002 nan 8.190 nan 0.000 0.440 67 A N 3.451 126.246 122.820 -0.042 0.000 2.415 67 A HA 0.609 4.928 4.320 -0.002 0.000 0.309 67 A C 0.373 177.966 177.584 0.015 0.000 1.356 67 A CA 0.059 52.076 52.037 -0.034 0.000 0.998 67 A CB 0.343 19.302 19.000 -0.069 0.000 1.145 67 A HN 0.677 nan 8.150 nan 0.000 0.545 68 T N 1.663 116.237 114.554 0.033 0.000 2.948 68 T HA 0.542 4.892 4.350 -0.002 0.000 0.285 68 T C 1.135 175.921 174.700 0.143 0.000 1.019 68 T CA -0.201 61.945 62.100 0.076 0.000 1.013 68 T CB 0.889 69.779 68.868 0.037 0.000 1.117 68 T HN 0.597 nan 8.240 nan 0.000 0.533 69 S N 0.890 116.688 115.700 0.164 0.000 2.401 69 S HA 0.307 4.776 4.470 -0.002 0.000 0.249 69 S C 0.291 174.961 174.600 0.117 0.000 1.237 69 S CA -0.544 57.778 58.200 0.203 0.000 1.000 69 S CB 0.067 63.306 63.200 0.065 0.000 1.013 69 S HN 0.800 nan 8.310 nan 0.000 0.494 70 S N 0.380 116.131 115.700 0.085 0.000 2.528 70 S HA 0.241 4.710 4.470 -0.002 0.000 0.277 70 S C 0.579 175.196 174.600 0.029 0.000 1.297 70 S CA -0.546 57.692 58.200 0.063 0.000 1.052 70 S CB -0.336 62.905 63.200 0.068 0.000 0.917 70 S HN 0.503 nan 8.310 nan 0.000 0.492 71 L N 4.296 125.535 121.223 0.027 0.000 2.591 71 L HA 0.138 4.477 4.340 -0.002 0.000 0.228 71 L C 2.339 179.223 176.870 0.022 0.000 1.133 71 L CA 0.424 55.271 54.840 0.011 0.000 0.880 71 L CB -0.693 41.370 42.059 0.006 0.000 1.033 71 L HN 0.887 nan 8.230 nan 0.000 0.450 72 A N 0.215 123.058 122.820 0.038 0.000 1.929 72 A HA -0.005 4.314 4.320 -0.002 0.000 0.216 72 A C 1.243 178.887 177.584 0.100 0.000 1.176 72 A CA 0.497 52.570 52.037 0.060 0.000 0.628 72 A CB -0.243 18.793 19.000 0.059 0.000 0.816 72 A HN 0.277 nan 8.150 nan 0.000 0.444 73 L N -0.082 121.176 121.223 0.058 0.000 2.439 73 L HA 0.126 4.465 4.340 -0.002 0.000 0.269 73 L C 1.446 178.380 176.870 0.107 0.000 1.179 73 L CA -0.717 54.141 54.840 0.029 0.000 0.828 73 L CB 0.252 42.254 42.059 -0.095 0.000 1.106 73 L HN 0.374 nan 8.230 nan 0.000 0.467 74 H N 2.062 121.069 119.070 -0.104 0.000 2.357 74 H HA -0.079 4.476 4.556 -0.001 0.000 0.301 74 H C 1.915 177.079 175.328 -0.273 0.000 1.082 74 H CA 1.258 57.221 56.048 -0.142 0.000 1.342 74 H CB -0.308 29.396 29.762 -0.096 0.000 1.389 74 H HN 0.787 nan 8.280 nan 0.000 0.511 75 A N 1.952 124.626 122.820 -0.243 0.000 1.858 75 A HA -0.093 4.226 4.320 -0.002 0.000 0.216 75 A C 0.020 177.352 177.584 -0.420 0.000 1.190 75 A CA 1.716 53.418 52.037 -0.558 0.000 0.617 75 A CB -1.471 17.211 19.000 -0.530 0.000 0.827 75 A HN 0.380 nan 8.150 nan 0.000 0.443 76 P HA -0.104 nan 4.420 nan 0.000 0.221 76 P C 1.263 178.498 177.300 -0.108 0.000 1.145 76 P CA 1.791 64.808 63.100 -0.138 0.000 0.795 76 P CB -0.118 31.528 31.700 -0.090 0.000 0.775 77 S N -0.359 115.269 115.700 -0.120 0.000 2.439 77 S HA -0.009 4.460 4.470 -0.002 0.000 0.224 77 S C 2.050 176.584 174.600 -0.110 0.000 1.029 77 S CA 0.547 58.694 58.200 -0.089 0.000 0.946 77 S CB -0.428 62.730 63.200 -0.070 0.000 0.797 77 S HN 0.294 nan 8.310 nan 0.000 0.504 78 Q N 0.359 120.044 119.800 -0.193 0.000 2.245 78 Q HA 0.139 4.478 4.340 -0.002 0.000 0.201 78 Q C 1.791 177.730 176.000 -0.102 0.000 0.955 78 Q CA 0.770 56.461 55.803 -0.187 0.000 0.870 78 Q CB -0.140 28.392 28.738 -0.343 0.000 0.945 78 Q HN 0.527 nan 8.270 nan 0.000 0.461 79 I N -0.509 119.989 120.570 -0.120 0.000 2.333 79 I HA -0.190 3.979 4.170 -0.002 0.000 0.246 79 I C 2.084 178.212 176.117 0.017 0.000 1.106 79 I CA 0.491 61.802 61.300 0.017 0.000 1.411 79 I CB 0.009 38.038 38.000 0.048 0.000 1.082 79 I HN -0.018 nan 8.210 nan 0.000 0.420 80 V N 1.166 121.072 119.914 -0.014 0.000 2.295 80 V HA -0.308 3.811 4.120 -0.002 0.000 0.246 80 V C 2.773 178.865 176.094 -0.002 0.000 1.049 80 V CA 2.022 64.319 62.300 -0.006 0.000 1.024 80 V CB -1.053 30.761 31.823 -0.015 0.000 0.648 80 V HN 0.485 nan 8.190 nan 0.000 0.447 81 A N 0.083 122.896 122.820 -0.011 0.000 1.892 81 A HA -0.233 4.086 4.320 -0.002 0.000 0.218 81 A C 2.422 180.013 177.584 0.012 0.000 1.188 81 A CA 2.595 54.629 52.037 -0.005 0.000 0.631 81 A CB -0.887 18.104 19.000 -0.014 0.000 0.822 81 A HN 0.603 nan 8.150 nan 0.000 0.447 82 A N -0.205 122.634 122.820 0.031 0.000 1.873 82 A HA -0.026 4.293 4.320 -0.002 0.000 0.215 82 A C 2.037 179.641 177.584 0.034 0.000 1.186 82 A CA 1.463 53.528 52.037 0.047 0.000 0.616 82 A CB -0.532 18.521 19.000 0.089 0.000 0.823 82 A HN 0.411 nan 8.150 nan 0.000 0.442 83 I N 0.028 120.617 120.570 0.032 0.000 2.185 83 I HA -0.271 3.898 4.170 -0.002 0.000 0.246 83 I C 2.445 178.567 176.117 0.009 0.000 1.088 83 I CA 2.292 63.604 61.300 0.019 0.000 1.347 83 I CB -0.923 37.085 38.000 0.013 0.000 1.041 83 I HN 0.348 nan 8.210 nan 0.000 0.415 84 K N 1.004 121.408 120.400 0.006 0.000 1.991 84 K HA -0.085 4.234 4.320 -0.002 0.000 0.207 84 K C 2.338 178.940 176.600 0.003 0.000 1.045 84 K CA 1.859 58.147 56.287 0.001 0.000 0.937 84 K CB -0.843 31.656 32.500 -0.002 0.000 0.720 84 K HN 0.032 nan 8.250 nan 0.000 0.438 85 S N 0.236 115.940 115.700 0.007 0.000 2.413 85 S HA -0.206 4.263 4.470 -0.002 0.000 0.237 85 S C 2.062 176.666 174.600 0.008 0.000 1.044 85 S CA 1.398 59.602 58.200 0.008 0.000 1.024 85 S CB -0.297 62.911 63.200 0.013 0.000 0.829 85 S HN 0.266 nan 8.310 nan 0.000 0.475 86 R N 0.996 121.502 120.500 0.010 0.000 2.052 86 R HA 0.214 4.553 4.340 -0.002 0.000 0.226 86 R C 2.469 178.770 176.300 0.002 0.000 1.145 86 R CA 1.585 57.689 56.100 0.007 0.000 0.952 86 R CB -1.468 28.838 30.300 0.009 0.000 0.847 86 R HN 0.392 nan 8.270 nan 0.000 0.431 87 A N 0.765 123.586 122.820 0.000 0.000 2.076 87 A HA -0.181 4.138 4.320 -0.002 0.000 0.220 87 A C 1.757 179.339 177.584 -0.003 0.000 1.160 87 A CA 1.940 53.975 52.037 -0.003 0.000 0.653 87 A CB -0.565 18.432 19.000 -0.005 0.000 0.801 87 A HN 0.373 nan 8.150 nan 0.000 0.455 88 D N -0.875 119.524 120.400 -0.002 0.000 2.178 88 D HA -0.111 4.528 4.640 -0.002 0.000 0.202 88 D C 2.201 178.500 176.300 -0.002 0.000 0.974 88 D CA 1.227 55.226 54.000 -0.002 0.000 0.841 88 D CB -0.077 40.722 40.800 -0.001 0.000 0.953 88 D HN 0.599 nan 8.370 nan 0.000 0.478 89 Q N -0.871 118.928 119.800 -0.001 0.000 2.123 89 Q HA -0.025 4.314 4.340 -0.002 0.000 0.199 89 Q C 1.191 177.190 176.000 -0.002 0.000 0.966 89 Q CA 0.549 56.351 55.803 -0.001 0.000 0.845 89 Q CB 0.234 28.971 28.738 -0.000 0.000 0.907 89 Q HN 0.230 nan 8.270 nan 0.000 0.439 90 L N -0.916 120.305 121.223 -0.003 0.000 2.599 90 L HA 0.180 4.519 4.340 -0.002 0.000 0.230 90 L C 0.987 177.854 176.870 -0.004 0.000 1.141 90 L CA 1.039 55.877 54.840 -0.004 0.000 0.877 90 L CB -0.924 41.132 42.059 -0.005 0.000 1.009 90 L HN 0.290 nan 8.230 nan 0.000 0.447 91 G N 0.216 109.013 108.800 -0.004 0.000 2.326 91 G HA2 -0.022 3.937 3.960 -0.002 0.000 0.286 91 G HA3 -0.022 3.937 3.960 -0.002 0.000 0.286 91 G C 0.214 175.110 174.900 -0.006 0.000 1.096 91 G CA 0.270 45.367 45.100 -0.005 0.000 1.003 91 G HN 0.686 nan 8.290 nan 0.000 0.503 92 A N -0.730 122.087 122.820 -0.006 0.000 2.423 92 A HA 0.940 5.259 4.320 -0.002 0.000 0.304 92 A C 0.196 177.775 177.584 -0.008 0.000 1.104 92 A CA 0.335 52.368 52.037 -0.008 0.000 0.757 92 A CB 1.937 20.932 19.000 -0.009 0.000 1.313 92 A HN 1.555 nan 8.150 nan 0.000 0.423 93 S N -0.026 115.669 115.700 -0.009 0.000 2.475 93 S HA 0.610 5.080 4.470 -0.002 0.000 0.298 93 S C -0.982 173.611 174.600 -0.012 0.000 1.119 93 S CA -0.379 57.816 58.200 -0.010 0.000 1.085 93 S CB 0.808 64.002 63.200 -0.009 0.000 1.028 93 S HN 0.817 nan 8.310 nan 0.000 0.489 94 V N 5.293 125.201 119.914 -0.011 0.000 2.378 94 V HA 0.471 4.590 4.120 -0.002 0.000 0.288 94 V C -0.353 175.733 176.094 -0.012 0.000 1.016 94 V CA -0.685 61.607 62.300 -0.012 0.000 0.840 94 V CB 1.506 33.323 31.823 -0.010 0.000 0.994 94 V HN 0.663 nan 8.190 nan 0.000 0.431 95 V N 7.377 127.282 119.914 -0.015 0.000 2.313 95 V HA 0.448 4.567 4.120 -0.002 0.000 0.278 95 V C -0.082 176.002 176.094 -0.016 0.000 1.017 95 V CA -0.207 62.084 62.300 -0.014 0.000 0.823 95 V CB 1.724 33.538 31.823 -0.014 0.000 1.010 95 V HN 0.630 nan 8.190 nan 0.000 0.443 96 V N 6.503 126.409 119.914 -0.012 0.000 2.508 96 V HA 0.357 4.477 4.120 -0.002 0.000 0.281 96 V C 0.586 176.674 176.094 -0.011 0.000 1.041 96 V CA 0.517 62.810 62.300 -0.011 0.000 1.016 96 V CB 1.349 33.167 31.823 -0.008 0.000 0.984 96 V HN 0.901 nan 8.190 nan 0.000 0.478 97 S N 5.280 120.972 115.700 -0.013 0.000 2.566 97 S HA 0.839 5.308 4.470 -0.002 0.000 0.298 97 S C -0.619 173.974 174.600 -0.011 0.000 1.083 97 S CA -0.733 57.458 58.200 -0.014 0.000 0.978 97 S CB 1.407 64.594 63.200 -0.023 0.000 1.073 97 S HN 0.613 nan 8.310 nan 0.000 0.491 98 M N 2.515 122.110 119.600 -0.009 0.000 2.724 98 M HA 0.656 5.135 4.480 -0.002 0.000 0.310 98 M C -1.308 174.980 176.300 -0.021 0.000 1.217 98 M CA -0.714 54.586 55.300 0.001 0.000 0.894 98 M CB 2.113 34.723 32.600 0.017 0.000 1.719 98 M HN 0.348 nan 8.290 nan 0.000 0.479 99 V N 0.648 120.561 119.914 -0.003 0.000 2.735 99 V HA 0.389 4.508 4.120 -0.002 0.000 0.310 99 V C -0.287 175.860 176.094 0.088 0.000 1.061 99 V CA -0.761 61.508 62.300 -0.052 0.000 0.913 99 V CB 1.695 33.324 31.823 -0.324 0.000 1.005 99 V HN 0.808 nan 8.190 nan 0.000 0.428 100 E N 2.157 122.406 120.200 0.082 0.000 2.332 100 E HA 0.217 4.566 4.350 -0.002 0.000 0.257 100 E C 1.196 177.921 176.600 0.207 0.000 0.786 100 E CA 0.469 56.940 56.400 0.118 0.000 1.380 100 E CB 0.024 29.769 29.700 0.076 0.000 1.300 100 E HN 0.543 nan 8.360 nan 0.000 0.536 101 R N -0.835 119.780 120.500 0.192 0.000 2.471 101 R HA 0.256 4.595 4.340 -0.002 0.000 0.367 101 R C 0.809 177.224 176.300 0.192 0.000 0.799 101 R CA 0.456 56.688 56.100 0.220 0.000 1.055 101 R CB -0.278 30.107 30.300 0.140 0.000 1.704 101 R HN 0.207 nan 8.270 nan 0.000 0.531 102 S N -0.452 115.346 115.700 0.163 0.000 2.344 102 S HA 0.267 4.736 4.470 -0.002 0.000 0.217 102 S C 0.850 175.537 174.600 0.144 0.000 1.033 102 S CA 0.843 59.111 58.200 0.113 0.000 1.017 102 S CB -0.412 62.827 63.200 0.065 0.000 0.941 102 S HN 0.651 nan 8.310 nan 0.000 0.430 103 G N -0.010 108.898 108.800 0.181 0.000 3.355 103 G HA2 0.136 4.096 3.960 -0.002 0.000 0.686 103 G HA3 0.136 4.096 3.960 -0.002 0.000 0.686 103 G C 0.226 175.192 174.900 0.110 0.000 1.097 103 G CA -0.480 44.749 45.100 0.216 0.000 0.881 103 G HN 1.032 nan 8.290 nan 0.000 0.550 104 V N 0.858 120.832 119.914 0.101 0.000 0.588 104 V HA -0.425 3.694 4.120 -0.002 0.000 0.092 104 V C 2.442 178.549 176.094 0.022 0.000 1.830 104 V CA 3.166 65.502 62.300 0.060 0.000 3.401 104 V CB -1.842 30.023 31.823 0.070 0.000 0.689 104 V HN 1.133 nan 8.190 nan 0.000 0.712 105 E N 0.529 120.746 120.200 0.029 0.000 2.077 105 E HA 0.016 4.365 4.350 -0.002 0.000 0.193 105 E C 2.188 178.788 176.600 0.000 0.000 0.989 105 E CA 1.921 58.337 56.400 0.026 0.000 0.800 105 E CB -0.590 29.126 29.700 0.026 0.000 0.746 105 E HN 0.851 nan 8.360 nan 0.000 0.452 106 A N -0.142 122.659 122.820 -0.031 0.000 1.902 106 A HA -0.219 4.100 4.320 -0.002 0.000 0.217 106 A C 2.475 179.958 177.584 -0.168 0.000 1.181 106 A CA 1.540 53.532 52.037 -0.076 0.000 0.623 106 A CB -1.096 17.862 19.000 -0.069 0.000 0.818 106 A HN 0.478 nan 8.150 nan 0.000 0.443 107 C N -0.723 118.415 119.300 -0.270 0.000 2.446 107 C HA 0.048 4.507 4.460 -0.002 0.000 0.279 107 C C 2.631 177.535 174.990 -0.144 0.000 1.366 107 C CA 1.226 60.038 59.018 -0.344 0.000 1.763 107 C CB -1.220 26.284 27.740 -0.394 0.000 1.929 107 C HN 0.613 nan 8.230 nan 0.000 0.509 108 K N -0.309 120.061 120.400 -0.051 0.000 2.044 108 K HA -0.057 4.262 4.320 -0.002 0.000 0.204 108 K C 2.066 178.747 176.600 0.134 0.000 1.049 108 K CA 1.825 58.120 56.287 0.013 0.000 0.945 108 K CB -0.382 32.196 32.500 0.129 0.000 0.724 108 K HN 0.395 nan 8.250 nan 0.000 0.440 109 T N 1.315 115.968 114.554 0.164 0.000 2.720 109 T HA -0.182 4.167 4.350 -0.002 0.000 0.268 109 T C 1.984 176.735 174.700 0.084 0.000 1.037 109 T CA 1.431 63.640 62.100 0.182 0.000 1.144 109 T CB -0.352 68.550 68.868 0.056 0.000 0.864 109 T HN 0.317 nan 8.240 nan 0.000 0.444 110 A N 0.875 123.690 122.820 -0.007 0.000 1.917 110 A HA -0.116 4.203 4.320 -0.002 0.000 0.219 110 A C 2.577 180.128 177.584 -0.054 0.000 1.182 110 A CA 1.682 53.691 52.037 -0.046 0.000 0.633 110 A CB -1.056 17.881 19.000 -0.104 0.000 0.819 110 A HN 0.386 nan 8.150 nan 0.000 0.448 111 V N -0.916 118.941 119.914 -0.095 0.000 2.453 111 V HA -0.207 3.912 4.120 -0.002 0.000 0.247 111 V C 2.248 178.232 176.094 -0.182 0.000 1.048 111 V CA 2.238 64.437 62.300 -0.168 0.000 1.049 111 V CB -0.978 30.703 31.823 -0.237 0.000 0.672 111 V HN 0.755 nan 8.190 nan 0.000 0.457 112 H N -0.388 118.664 119.070 -0.030 0.000 2.395 112 H HA -0.057 4.498 4.556 -0.002 0.000 0.299 112 H C 2.366 177.681 175.328 -0.022 0.000 1.070 112 H CA 1.542 57.577 56.048 -0.022 0.000 1.356 112 H CB -0.102 29.649 29.762 -0.018 0.000 1.401 112 H HN 0.394 nan 8.280 nan 0.000 0.524 113 N N 0.435 119.191 118.700 0.092 0.000 2.013 113 N HA -0.161 4.579 4.740 -0.002 0.000 0.195 113 N C 1.771 177.289 175.510 0.013 0.000 1.051 113 N CA 1.303 54.377 53.050 0.041 0.000 0.851 113 N CB -0.123 38.376 38.487 0.020 0.000 1.044 113 N HN 0.218 nan 8.380 nan 0.000 0.422 114 L N 0.925 122.142 121.223 -0.010 0.000 2.079 114 L HA -0.196 4.143 4.340 -0.002 0.000 0.210 114 L C 2.268 179.124 176.870 -0.023 0.000 1.081 114 L CA 0.620 55.445 54.840 -0.024 0.000 0.752 114 L CB -0.345 41.688 42.059 -0.044 0.000 0.896 114 L HN 0.203 nan 8.230 nan 0.000 0.433 115 L N -0.179 121.029 121.223 -0.025 0.000 2.079 115 L HA -0.207 4.133 4.340 -0.002 0.000 0.210 115 L C 2.762 179.632 176.870 -0.000 0.000 1.081 115 L CA 2.009 56.837 54.840 -0.020 0.000 0.752 115 L CB -1.348 40.699 42.059 -0.021 0.000 0.896 115 L HN 0.203 nan 8.230 nan 0.000 0.433 116 A N -1.107 121.720 122.820 0.012 0.000 1.865 116 A HA -0.248 4.071 4.320 -0.002 0.000 0.217 116 A C 1.991 179.577 177.584 0.003 0.000 1.191 116 A CA 1.362 53.407 52.037 0.013 0.000 0.623 116 A CB -0.584 18.427 19.000 0.018 0.000 0.826 116 A HN 0.431 nan 8.150 nan 0.000 0.444 117 Q N -0.810 118.989 119.800 -0.001 0.000 2.518 117 Q HA 0.137 4.476 4.340 -0.002 0.000 0.217 117 Q C 0.018 176.014 176.000 -0.008 0.000 0.974 117 Q CA 0.497 56.297 55.803 -0.005 0.000 0.971 117 Q CB -0.448 28.286 28.738 -0.007 0.000 0.988 117 Q HN 0.599 nan 8.270 nan 0.000 0.536 118 R N -1.814 118.681 120.500 -0.007 0.000 3.651 118 R HA -0.162 4.177 4.340 -0.002 0.000 0.292 118 R C -0.259 176.033 176.300 -0.015 0.000 1.161 118 R CA 0.515 56.609 56.100 -0.009 0.000 0.787 118 R CB -2.835 27.461 30.300 -0.007 0.000 1.249 118 R HN 0.270 nan 8.270 nan 0.000 0.476 119 V N -2.044 117.858 119.914 -0.020 0.000 2.788 119 V HA 0.100 4.219 4.120 -0.002 0.000 0.307 119 V C 1.287 177.364 176.094 -0.028 0.000 1.069 119 V CA 0.710 62.995 62.300 -0.026 0.000 1.173 119 V CB 1.901 33.703 31.823 -0.035 0.000 0.925 119 V HN 0.266 nan 8.190 nan 0.000 0.492 120 S N 2.509 118.193 115.700 -0.027 0.000 2.502 120 S HA 0.429 4.898 4.470 -0.002 0.000 0.215 120 S C 0.792 175.372 174.600 -0.034 0.000 1.009 120 S CA 0.354 58.539 58.200 -0.026 0.000 0.908 120 S CB 0.472 63.660 63.200 -0.020 0.000 0.801 120 S HN 1.373 nan 8.310 nan 0.000 0.505 121 G N 0.460 109.235 108.800 -0.042 0.000 2.730 121 G HA2 0.752 4.711 3.960 -0.002 0.000 0.289 121 G HA3 0.752 4.711 3.960 -0.002 0.000 0.289 121 G C -1.774 173.081 174.900 -0.074 0.000 1.341 121 G CA -0.701 44.366 45.100 -0.055 0.000 0.932 121 G HN 0.223 nan 8.290 nan 0.000 0.481 122 L N 0.770 121.930 121.223 -0.105 0.000 2.596 122 L HA 0.400 4.739 4.340 -0.002 0.000 0.265 122 L C -0.927 175.831 176.870 -0.187 0.000 0.962 122 L CA -0.426 54.329 54.840 -0.142 0.000 0.891 122 L CB 1.950 43.906 42.059 -0.171 0.000 1.248 122 L HN 0.338 nan 8.230 nan 0.000 0.410 123 I N 4.970 125.454 120.570 -0.142 0.000 2.328 123 I HA 0.336 4.506 4.170 -0.002 0.000 0.287 123 I C -0.262 175.779 176.117 -0.126 0.000 1.012 123 I CA -0.581 60.637 61.300 -0.137 0.000 1.195 123 I CB 1.576 39.535 38.000 -0.068 0.000 1.350 123 I HN 0.370 nan 8.210 nan 0.000 0.464 124 I N 5.420 125.876 120.570 -0.190 0.000 2.287 124 I HA 0.155 4.324 4.170 -0.002 0.000 0.290 124 I C 0.111 176.266 176.117 0.064 0.000 1.069 124 I CA -0.178 61.072 61.300 -0.082 0.000 1.237 124 I CB 0.386 38.290 38.000 -0.160 0.000 1.418 124 I HN 0.538 nan 8.210 nan 0.000 0.481 125 N N 7.261 126.020 118.700 0.098 0.000 2.955 125 N HA 0.248 4.987 4.740 -0.002 0.000 0.242 125 N C -1.475 174.153 175.510 0.197 0.000 1.123 125 N CA -0.226 52.898 53.050 0.124 0.000 0.949 125 N CB 0.250 38.784 38.487 0.079 0.000 1.214 125 N HN 0.481 nan 8.380 nan 0.000 0.504 126 Y N 1.830 122.174 120.300 0.072 0.000 2.474 126 Y HA 0.394 4.943 4.550 -0.001 0.000 0.326 126 Y C -2.814 173.144 175.900 0.097 0.000 1.160 126 Y CA -1.878 56.265 58.100 0.071 0.000 1.056 126 Y CB 1.924 40.422 38.460 0.064 0.000 1.330 126 Y HN 0.337 nan 8.280 nan 0.000 0.447 127 P HA 0.118 nan 4.420 nan 0.000 0.260 127 P C -1.265 176.028 177.300 -0.011 0.000 1.207 127 P CA 0.486 63.451 63.100 -0.225 0.000 0.780 127 P CB 0.145 31.669 31.700 -0.294 0.000 0.789 128 L N 3.873 125.152 121.223 0.093 0.000 2.386 128 L HA 0.381 4.720 4.340 -0.002 0.000 0.271 128 L C 0.144 177.041 176.870 0.046 0.000 0.993 128 L CA -0.593 54.324 54.840 0.129 0.000 0.819 128 L CB 1.861 44.025 42.059 0.175 0.000 1.294 128 L HN 0.252 nan 8.230 nan 0.000 0.414 129 D N 1.284 121.708 120.400 0.040 0.000 2.302 129 D HA 0.150 4.789 4.640 -0.002 0.000 0.248 129 D C 0.761 177.053 176.300 -0.013 0.000 1.094 129 D CA -0.211 53.794 54.000 0.008 0.000 0.897 129 D CB 1.121 41.930 40.800 0.015 0.000 1.200 129 D HN 0.508 nan 8.370 nan 0.000 0.429 130 D N 0.583 120.963 120.400 -0.033 0.000 2.973 130 D HA -0.294 4.345 4.640 -0.002 0.000 0.203 130 D C 1.668 177.936 176.300 -0.052 0.000 1.096 130 D CA 1.683 55.652 54.000 -0.052 0.000 0.876 130 D CB 0.163 40.939 40.800 -0.041 0.000 0.979 130 D HN 0.405 nan 8.370 nan 0.000 0.495 131 Q N -0.299 119.484 119.800 -0.027 0.000 2.245 131 Q HA -0.086 4.253 4.340 -0.002 0.000 0.201 131 Q C 1.447 177.443 176.000 -0.007 0.000 0.955 131 Q CA 0.770 56.562 55.803 -0.019 0.000 0.870 131 Q CB 0.075 28.809 28.738 -0.007 0.000 0.945 131 Q HN 0.436 nan 8.270 nan 0.000 0.461 132 D N 0.549 120.952 120.400 0.006 0.000 2.178 132 D HA -0.074 4.565 4.640 -0.002 0.000 0.202 132 D C 1.676 177.996 176.300 0.035 0.000 0.974 132 D CA 1.078 55.099 54.000 0.035 0.000 0.841 132 D CB 0.102 40.938 40.800 0.061 0.000 0.953 132 D HN 0.191 nan 8.370 nan 0.000 0.478 133 A N 0.885 123.691 122.820 -0.023 0.000 1.855 133 A HA -0.126 4.194 4.320 -0.002 0.000 0.215 133 A C 2.353 179.869 177.584 -0.114 0.000 1.191 133 A CA 0.832 52.798 52.037 -0.117 0.000 0.613 133 A CB -0.777 18.029 19.000 -0.324 0.000 0.829 133 A HN 0.183 nan 8.150 nan 0.000 0.442 134 I N -0.083 120.422 120.570 -0.108 0.000 2.248 134 I HA -0.345 3.824 4.170 -0.002 0.000 0.248 134 I C 2.896 179.019 176.117 0.011 0.000 1.107 134 I CA 1.118 62.384 61.300 -0.056 0.000 1.373 134 I CB -0.333 37.641 38.000 -0.044 0.000 1.055 134 I HN 0.398 nan 8.210 nan 0.000 0.418 135 A N 0.156 122.992 122.820 0.026 0.000 1.840 135 A HA -0.139 4.180 4.320 -0.002 0.000 0.214 135 A C 2.457 180.083 177.584 0.070 0.000 1.198 135 A CA 1.422 53.486 52.037 0.045 0.000 0.608 135 A CB -1.088 17.939 19.000 0.045 0.000 0.839 135 A HN 0.196 nan 8.150 nan 0.000 0.443 136 V N 0.661 120.635 119.914 0.099 0.000 2.546 136 V HA -0.291 3.828 4.120 -0.002 0.000 0.254 136 V C 2.524 178.719 176.094 0.168 0.000 1.076 136 V CA 2.607 64.982 62.300 0.125 0.000 1.087 136 V CB -0.522 31.410 31.823 0.182 0.000 0.674 136 V HN 0.830 nan 8.190 nan 0.000 0.470 137 E N -0.002 120.351 120.200 0.255 0.000 2.028 137 E HA -0.205 4.144 4.350 -0.002 0.000 0.191 137 E C 2.218 178.888 176.600 0.116 0.000 0.988 137 E CA 1.451 58.027 56.400 0.293 0.000 0.799 137 E CB -0.332 29.538 29.700 0.284 0.000 0.755 137 E HN 0.578 nan 8.360 nan 0.000 0.447 138 A N 1.510 124.378 122.820 0.080 0.000 1.883 138 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 138 A C 2.499 180.098 177.584 0.025 0.000 1.186 138 A CA 2.131 54.195 52.037 0.046 0.000 0.624 138 A CB -1.051 17.973 19.000 0.041 0.000 0.822 138 A HN 0.467 nan 8.150 nan 0.000 0.444 139 A N -1.057 121.772 122.820 0.016 0.000 1.892 139 A HA -0.282 4.037 4.320 -0.002 0.000 0.218 139 A C 2.403 179.916 177.584 -0.118 0.000 1.188 139 A CA 1.859 53.867 52.037 -0.048 0.000 0.631 139 A CB -1.562 17.398 19.000 -0.067 0.000 0.822 139 A HN 0.869 nan 8.150 nan 0.000 0.447 140 C N -1.552 117.705 119.300 -0.072 0.000 2.403 140 C HA 0.045 4.504 4.460 -0.002 0.000 0.282 140 C C 1.772 176.724 174.990 -0.063 0.000 1.297 140 C CA 1.814 60.780 59.018 -0.088 0.000 1.785 140 C CB -1.592 26.113 27.740 -0.057 0.000 1.963 140 C HN 0.789 nan 8.230 nan 0.000 0.507 141 T N -0.051 114.487 114.554 -0.026 0.000 14.207 141 T HA -0.293 4.056 4.350 -0.002 0.000 0.419 141 T C 0.464 175.163 174.700 -0.001 0.000 1.441 141 T CA 1.411 63.505 62.100 -0.009 0.000 2.331 141 T CB -1.384 67.475 68.868 -0.015 0.000 2.756 141 T HN 0.634 nan 8.240 nan 0.000 0.217 142 N N 2.080 120.778 118.700 -0.005 0.000 2.415 142 N HA 0.228 4.967 4.740 -0.002 0.000 0.174 142 N C 0.714 176.218 175.510 -0.010 0.000 1.048 142 N CA 0.813 53.862 53.050 -0.002 0.000 0.895 142 N CB -0.661 37.826 38.487 0.000 0.000 1.036 142 N HN 0.820 nan 8.380 nan 0.000 0.449 143 V N 0.938 120.839 119.914 -0.021 0.000 2.506 143 V HA 0.129 4.248 4.120 -0.002 0.000 0.296 143 V C -1.989 174.082 176.094 -0.038 0.000 1.004 143 V CA -1.701 60.581 62.300 -0.031 0.000 1.150 143 V CB -0.925 30.873 31.823 -0.042 0.000 0.911 143 V HN 0.184 nan 8.190 nan 0.000 0.476 144 P HA 0.229 nan 4.420 nan 0.000 0.263 144 P C -0.277 176.980 177.300 -0.071 0.000 1.175 144 P CA 0.474 63.556 63.100 -0.031 0.000 0.761 144 P CB 0.773 32.460 31.700 -0.022 0.000 0.794 145 A N 4.214 126.981 122.820 -0.089 0.000 2.371 145 A HA 0.624 4.943 4.320 -0.002 0.000 0.311 145 A C -1.195 176.253 177.584 -0.225 0.000 1.068 145 A CA -0.702 51.194 52.037 -0.235 0.000 0.744 145 A CB 1.322 20.080 19.000 -0.404 0.000 1.239 145 A HN 0.497 nan 8.150 nan 0.000 0.435 146 L N 1.995 123.053 121.223 -0.275 0.000 2.329 146 L HA 0.699 5.038 4.340 -0.002 0.000 0.279 146 L C -1.542 175.182 176.870 -0.244 0.000 1.014 146 L CA -0.397 54.373 54.840 -0.117 0.000 0.814 146 L CB 1.189 43.212 42.059 -0.061 0.000 1.257 146 L HN 0.694 nan 8.230 nan 0.000 0.424 147 F N 4.279 124.234 119.950 0.008 0.000 2.469 147 F HA 0.402 4.928 4.527 -0.002 0.000 0.332 147 F C 1.044 176.856 175.800 0.020 0.000 1.103 147 F CA -0.523 57.490 58.000 0.023 0.000 0.979 147 F CB 1.457 40.473 39.000 0.027 0.000 1.137 147 F HN 0.299 nan 8.300 nan 0.000 0.463 148 L N 0.480 121.822 121.223 0.197 0.000 2.470 148 L HA 0.180 4.520 4.340 -0.002 0.000 0.219 148 L C -0.082 176.877 176.870 0.148 0.000 1.071 148 L CA 0.598 55.518 54.840 0.134 0.000 0.850 148 L CB 0.167 42.294 42.059 0.112 0.000 1.040 148 L HN 0.486 nan 8.230 nan 0.000 0.475 149 D N 0.953 121.452 120.400 0.165 0.000 2.472 149 D HA 0.482 5.121 4.640 -0.002 0.000 0.234 149 D C -0.659 175.707 176.300 0.110 0.000 1.088 149 D CA 0.182 54.257 54.000 0.125 0.000 0.882 149 D CB 1.121 41.970 40.800 0.081 0.000 1.037 149 D HN -0.087 nan 8.370 nan 0.000 0.520 150 V N -0.147 119.813 119.914 0.076 0.000 3.187 150 V HA 0.590 4.709 4.120 -0.002 0.000 0.303 150 V C -0.376 175.722 176.094 0.008 0.000 1.529 150 V CA -1.107 61.205 62.300 0.020 0.000 1.042 150 V CB 1.351 33.157 31.823 -0.029 0.000 1.089 150 V HN 0.260 nan 8.190 nan 0.000 0.471 151 S N 0.417 116.102 115.700 -0.026 0.000 2.541 151 S HA 0.324 4.793 4.470 -0.002 0.000 0.283 151 S C 0.803 175.408 174.600 0.009 0.000 1.196 151 S CA 0.178 58.363 58.200 -0.026 0.000 1.062 151 S CB 1.174 64.341 63.200 -0.055 0.000 1.009 151 S HN 1.109 nan 8.310 nan 0.000 0.502 152 D N 2.762 123.205 120.400 0.072 0.000 2.351 152 D HA -0.128 4.512 4.640 -0.002 0.000 0.216 152 D C 0.715 177.035 176.300 0.033 0.000 0.968 152 D CA 0.865 54.910 54.000 0.075 0.000 0.899 152 D CB 0.116 40.998 40.800 0.137 0.000 0.907 152 D HN 0.488 nan 8.370 nan 0.000 0.514 153 Q N 0.080 119.889 119.800 0.016 0.000 2.179 153 Q HA 0.112 4.451 4.340 -0.002 0.000 0.213 153 Q C -0.262 175.723 176.000 -0.026 0.000 0.833 153 Q CA 0.091 55.893 55.803 -0.001 0.000 0.990 153 Q CB 1.111 29.854 28.738 0.008 0.000 1.132 153 Q HN 0.194 nan 8.270 nan 0.000 0.493 154 T N 3.463 117.988 114.554 -0.048 0.000 2.780 154 T HA 0.190 4.539 4.350 -0.002 0.000 0.294 154 T C -2.245 172.401 174.700 -0.090 0.000 0.949 154 T CA -1.105 60.947 62.100 -0.081 0.000 1.074 154 T CB 1.254 70.045 68.868 -0.128 0.000 0.910 154 T HN 0.069 nan 8.240 nan 0.000 0.501 155 P HA 0.191 nan 4.420 nan 0.000 0.244 155 P C -0.407 176.849 177.300 -0.074 0.000 1.723 155 P CA 0.127 63.190 63.100 -0.061 0.000 1.110 155 P CB -0.730 30.945 31.700 -0.040 0.000 1.972 156 I N -1.629 118.890 120.570 -0.086 0.000 3.298 156 I HA 0.413 4.582 4.170 -0.002 0.000 0.315 156 I C -1.185 174.950 176.117 0.029 0.000 1.293 156 I CA -1.481 59.790 61.300 -0.048 0.000 0.926 156 I CB 1.919 39.770 38.000 -0.247 0.000 1.321 156 I HN -0.169 nan 8.210 nan 0.000 0.487 157 N N 2.739 121.527 118.700 0.147 0.000 2.408 157 N HA 0.407 5.146 4.740 -0.002 0.000 0.257 157 N C -0.857 174.789 175.510 0.226 0.000 1.064 157 N CA -0.209 52.926 53.050 0.141 0.000 0.952 157 N CB 1.387 39.947 38.487 0.122 0.000 1.093 157 N HN 0.732 nan 8.380 nan 0.000 0.490 158 S N 1.199 116.979 115.700 0.133 0.000 2.537 158 S HA 0.549 5.018 4.470 -0.002 0.000 0.270 158 S C -0.787 173.847 174.600 0.055 0.000 1.142 158 S CA -0.941 57.348 58.200 0.148 0.000 0.870 158 S CB 1.304 64.586 63.200 0.136 0.000 1.112 158 S HN 0.396 nan 8.310 nan 0.000 0.466 159 I N 3.035 123.621 120.570 0.026 0.000 2.382 159 I HA 0.529 4.698 4.170 -0.002 0.000 0.286 159 I C -0.530 175.524 176.117 -0.105 0.000 1.002 159 I CA -0.849 60.414 61.300 -0.062 0.000 1.135 159 I CB 1.365 39.300 38.000 -0.108 0.000 1.288 159 I HN 0.783 nan 8.210 nan 0.000 0.448 160 I N 1.882 122.383 120.570 -0.115 0.000 2.608 160 I HA 0.573 4.742 4.170 -0.002 0.000 0.295 160 I C -0.837 175.193 176.117 -0.145 0.000 1.049 160 I CA -0.724 60.531 61.300 -0.076 0.000 1.063 160 I CB 1.939 39.988 38.000 0.082 0.000 1.248 160 I HN 0.201 nan 8.210 nan 0.000 0.424 161 F N 2.152 122.128 119.950 0.043 0.000 2.485 161 F HA 0.162 4.688 4.527 -0.001 0.000 0.327 161 F C 1.504 177.309 175.800 0.007 0.000 1.203 161 F CA 0.175 58.178 58.000 0.005 0.000 1.295 161 F CB 0.588 39.589 39.000 0.002 0.000 1.191 161 F HN 0.570 nan 8.300 nan 0.000 0.588 162 S N 0.509 116.292 115.700 0.139 0.000 2.429 162 S HA 0.040 4.510 4.470 -0.002 0.000 0.292 162 S C 0.869 175.472 174.600 0.004 0.000 1.183 162 S CA -0.611 57.567 58.200 -0.036 0.000 1.088 162 S CB -0.582 62.576 63.200 -0.070 0.000 1.018 162 S HN 0.669 nan 8.310 nan 0.000 0.511 163 H N 2.851 121.974 119.070 0.088 0.000 2.462 163 H HA 0.163 4.718 4.556 -0.002 0.000 0.292 163 H C 1.750 177.087 175.328 0.014 0.000 1.049 163 H CA 1.251 57.328 56.048 0.050 0.000 1.334 163 H CB -0.175 29.586 29.762 -0.002 0.000 1.404 163 H HN 0.602 nan 8.280 nan 0.000 0.544 164 E N 0.800 120.818 120.200 -0.304 0.000 2.072 164 E HA -0.130 4.219 4.350 -0.002 0.000 0.191 164 E C 1.107 177.635 176.600 -0.121 0.000 0.985 164 E CA 1.639 57.987 56.400 -0.087 0.000 0.801 164 E CB -0.052 29.573 29.700 -0.126 0.000 0.750 164 E HN 0.606 nan 8.360 nan 0.000 0.452 165 D N -1.335 118.993 120.400 -0.121 0.000 2.249 165 D HA 0.043 4.682 4.640 -0.002 0.000 0.205 165 D C 1.717 177.948 176.300 -0.115 0.000 0.962 165 D CA 1.045 54.966 54.000 -0.131 0.000 0.860 165 D CB -0.277 40.471 40.800 -0.086 0.000 0.955 165 D HN 0.298 nan 8.370 nan 0.000 0.505 166 G N 0.308 109.090 108.800 -0.031 0.000 2.422 166 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.218 166 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.218 166 G C 1.691 176.689 174.900 0.164 0.000 1.146 166 G CA 1.685 46.802 45.100 0.028 0.000 0.769 166 G HN 0.398 nan 8.290 nan 0.000 0.547 167 T N -1.466 113.110 114.554 0.038 0.000 2.978 167 T HA 0.093 4.442 4.350 -0.002 0.000 0.262 167 T C 2.185 176.847 174.700 -0.064 0.000 1.063 167 T CA 0.793 62.901 62.100 0.013 0.000 1.140 167 T CB -0.002 68.719 68.868 -0.246 0.000 0.886 167 T HN 0.294 nan 8.240 nan 0.000 0.470 168 R N 1.014 121.208 120.500 -0.511 0.000 2.073 168 R HA 0.062 4.401 4.340 -0.002 0.000 0.234 168 R C 2.393 178.579 176.300 -0.190 0.000 1.134 168 R CA 1.219 56.844 56.100 -0.790 0.000 0.952 168 R CB -0.567 29.213 30.300 -0.867 0.000 0.850 168 R HN 0.395 nan 8.270 nan 0.000 0.433 169 L N -0.296 120.867 121.223 -0.100 0.000 2.083 169 L HA -0.087 4.252 4.340 -0.002 0.000 0.209 169 L C 2.570 179.488 176.870 0.080 0.000 1.083 169 L CA 1.335 56.168 54.840 -0.012 0.000 0.752 169 L CB -0.804 41.219 42.059 -0.059 0.000 0.899 169 L HN 0.469 nan 8.230 nan 0.000 0.433 170 G N 0.023 108.913 108.800 0.150 0.000 2.453 170 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.215 170 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.215 170 G C 1.564 176.579 174.900 0.192 0.000 1.201 170 G CA 1.005 46.243 45.100 0.230 0.000 0.784 170 G HN 0.148 nan 8.290 nan 0.000 0.545 171 V N 0.942 120.978 119.914 0.202 0.000 2.214 171 V HA -0.246 3.873 4.120 -0.002 0.000 0.247 171 V C 2.593 178.781 176.094 0.157 0.000 1.051 171 V CA 2.469 64.875 62.300 0.176 0.000 1.003 171 V CB -0.922 31.059 31.823 0.263 0.000 0.635 171 V HN 0.471 nan 8.190 nan 0.000 0.447 172 E N -0.936 119.358 120.200 0.158 0.000 2.233 172 E HA -0.311 4.038 4.350 -0.002 0.000 0.199 172 E C 2.108 178.796 176.600 0.147 0.000 1.004 172 E CA 1.603 58.088 56.400 0.142 0.000 0.819 172 E CB -0.222 29.553 29.700 0.125 0.000 0.738 172 E HN 0.727 nan 8.360 nan 0.000 0.478 173 H N 0.165 119.273 119.070 0.063 0.000 2.363 173 H HA 0.003 4.559 4.556 -0.001 0.000 0.301 173 H C 1.833 177.214 175.328 0.088 0.000 1.074 173 H CA 1.296 57.379 56.048 0.059 0.000 1.354 173 H CB -0.003 29.785 29.762 0.044 0.000 1.397 173 H HN 0.058 nan 8.280 nan 0.000 0.516 174 L N -0.961 120.276 121.223 0.024 0.000 2.044 174 L HA -0.099 4.240 4.340 -0.002 0.000 0.205 174 L C 2.539 179.463 176.870 0.090 0.000 1.075 174 L CA 0.871 55.745 54.840 0.056 0.000 0.747 174 L CB -0.498 41.579 42.059 0.031 0.000 0.903 174 L HN 0.131 nan 8.230 nan 0.000 0.435 175 V N 0.671 120.629 119.914 0.074 0.000 2.252 175 V HA -0.368 3.751 4.120 -0.002 0.000 0.249 175 V C 2.769 178.873 176.094 0.018 0.000 1.056 175 V CA 2.174 64.509 62.300 0.058 0.000 1.022 175 V CB -1.011 30.858 31.823 0.075 0.000 0.641 175 V HN 0.517 nan 8.190 nan 0.000 0.445 176 A N -0.944 121.884 122.820 0.014 0.000 2.015 176 A HA -0.100 4.219 4.320 -0.002 0.000 0.219 176 A C 2.031 179.583 177.584 -0.052 0.000 1.163 176 A CA 1.382 53.415 52.037 -0.005 0.000 0.646 176 A CB -0.438 18.575 19.000 0.021 0.000 0.806 176 A HN 0.430 nan 8.150 nan 0.000 0.448 177 L N -1.096 120.072 121.223 -0.092 0.000 2.478 177 L HA 0.200 4.539 4.340 -0.002 0.000 0.223 177 L C 1.544 178.281 176.870 -0.221 0.000 1.140 177 L CA 1.333 56.087 54.840 -0.144 0.000 0.842 177 L CB -0.491 41.483 42.059 -0.142 0.000 0.953 177 L HN 0.707 nan 8.230 nan 0.000 0.452 178 G N -1.452 107.241 108.800 -0.177 0.000 2.141 178 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.195 178 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.195 178 G C 0.137 174.867 174.900 -0.283 0.000 1.012 178 G CA -0.218 44.761 45.100 -0.203 0.000 0.696 178 G HN 0.408 nan 8.290 nan 0.000 0.508 179 H N -0.206 118.838 119.070 -0.043 0.000 2.620 179 H HA 0.464 5.019 4.556 -0.002 0.000 0.313 179 H C 0.987 176.300 175.328 -0.024 0.000 1.075 179 H CA 0.374 56.399 56.048 -0.038 0.000 1.397 179 H CB 2.026 31.758 29.762 -0.051 0.000 1.446 179 H HN 0.373 nan 8.280 nan 0.000 0.493 180 Q N 1.956 121.809 119.800 0.088 0.000 2.499 180 Q HA 0.075 4.414 4.340 -0.002 0.000 0.213 180 Q C -0.121 175.909 176.000 0.050 0.000 0.929 180 Q CA 0.543 56.376 55.803 0.050 0.000 0.904 180 Q CB 0.758 29.510 28.738 0.022 0.000 1.052 180 Q HN 0.617 nan 8.270 nan 0.000 0.589 181 Q N 0.850 120.683 119.800 0.055 0.000 2.406 181 Q HA 0.407 4.746 4.340 -0.002 0.000 0.242 181 Q C -0.996 175.007 176.000 0.005 0.000 1.036 181 Q CA 0.010 55.828 55.803 0.026 0.000 0.904 181 Q CB 1.102 29.852 28.738 0.019 0.000 1.244 181 Q HN 0.273 nan 8.270 nan 0.000 0.478 182 I N 1.150 121.706 120.570 -0.024 0.000 2.646 182 I HA 0.692 4.861 4.170 -0.002 0.000 0.299 182 I C -0.351 175.713 176.117 -0.088 0.000 1.036 182 I CA -1.031 60.220 61.300 -0.081 0.000 1.074 182 I CB 1.970 39.913 38.000 -0.094 0.000 1.258 182 I HN 0.497 nan 8.210 nan 0.000 0.430 183 A N 5.969 128.715 122.820 -0.123 0.000 2.330 183 A HA 0.842 5.161 4.320 -0.002 0.000 0.329 183 A C -0.942 176.533 177.584 -0.182 0.000 1.135 183 A CA -0.599 51.370 52.037 -0.113 0.000 0.817 183 A CB 1.260 20.202 19.000 -0.096 0.000 1.269 183 A HN 0.660 nan 8.150 nan 0.000 0.469 184 L N 2.086 123.216 121.223 -0.155 0.000 2.316 184 L HA 0.318 4.657 4.340 -0.002 0.000 0.280 184 L C -1.116 175.669 176.870 -0.141 0.000 1.006 184 L CA -0.609 54.092 54.840 -0.231 0.000 0.836 184 L CB 1.344 43.311 42.059 -0.153 0.000 1.221 184 L HN 0.673 nan 8.230 nan 0.000 0.418 185 L N 4.566 125.697 121.223 -0.153 0.000 2.288 185 L HA 0.558 4.897 4.340 -0.002 0.000 0.283 185 L C 0.391 177.276 176.870 0.024 0.000 1.072 185 L CA 0.005 54.811 54.840 -0.057 0.000 0.862 185 L CB 0.854 42.889 42.059 -0.041 0.000 1.245 185 L HN 0.601 nan 8.230 nan 0.000 0.432 186 A N 3.235 126.077 122.820 0.038 0.000 2.272 186 A HA 0.779 5.098 4.320 -0.002 0.000 0.275 186 A C 0.608 178.113 177.584 -0.133 0.000 1.096 186 A CA 0.056 52.134 52.037 0.068 0.000 0.822 186 A CB 0.177 19.199 19.000 0.036 0.000 1.088 186 A HN 0.793 nan 8.150 nan 0.000 0.495 187 G N -0.900 107.705 108.800 -0.325 0.000 2.537 187 G HA2 0.579 4.538 3.960 -0.002 0.000 0.297 187 G HA3 0.579 4.538 3.960 -0.002 0.000 0.297 187 G C -2.596 171.893 174.900 -0.684 0.000 1.310 187 G CA -1.536 43.069 45.100 -0.825 0.000 1.027 187 G HN 0.593 nan 8.290 nan 0.000 0.505 188 P HA 0.009 nan 4.420 nan 0.000 0.260 188 P C 0.851 177.979 177.300 -0.286 0.000 1.207 188 P CA -0.185 62.644 63.100 -0.452 0.000 0.780 188 P CB 0.730 32.172 31.700 -0.431 0.000 0.789 189 L N 3.163 124.276 121.223 -0.184 0.000 2.740 189 L HA -0.089 4.251 4.340 -0.002 0.000 0.242 189 L C 1.603 178.430 176.870 -0.072 0.000 1.175 189 L CA 1.502 56.273 54.840 -0.114 0.000 0.859 189 L CB -1.719 40.295 42.059 -0.076 0.000 0.992 189 L HN 0.416 nan 8.230 nan 0.000 0.454 190 S N -3.474 112.185 115.700 -0.069 0.000 2.572 190 S HA 0.111 4.580 4.470 -0.002 0.000 0.228 190 S C 0.776 175.370 174.600 -0.010 0.000 0.963 190 S CA -0.343 57.840 58.200 -0.030 0.000 0.939 190 S CB 0.325 63.514 63.200 -0.018 0.000 0.804 190 S HN 0.261 nan 8.310 nan 0.000 0.480 191 S N 1.285 116.985 115.700 -0.002 0.000 2.733 191 S HA 0.378 4.847 4.470 -0.002 0.000 0.307 191 S C 1.124 175.756 174.600 0.053 0.000 1.127 191 S CA -0.650 57.590 58.200 0.068 0.000 1.097 191 S CB 0.638 63.997 63.200 0.265 0.000 1.003 191 S HN 0.165 nan 8.310 nan 0.000 0.477 192 V N 4.754 124.677 119.914 0.016 0.000 2.357 192 V HA -0.250 3.869 4.120 -0.002 0.000 0.257 192 V C 2.495 178.579 176.094 -0.016 0.000 1.082 192 V CA 2.555 64.845 62.300 -0.016 0.000 1.078 192 V CB -1.805 30.007 31.823 -0.018 0.000 0.663 192 V HN 0.825 nan 8.190 nan 0.000 0.455 193 S N 0.934 116.665 115.700 0.052 0.000 2.365 193 S HA -0.236 4.233 4.470 -0.002 0.000 0.221 193 S C 2.302 176.921 174.600 0.030 0.000 1.037 193 S CA 1.784 60.024 58.200 0.066 0.000 1.060 193 S CB -0.880 62.401 63.200 0.136 0.000 0.974 193 S HN 0.788 nan 8.310 nan 0.000 0.427 194 A N 1.745 124.654 122.820 0.148 0.000 1.948 194 A HA -0.170 4.149 4.320 -0.002 0.000 0.220 194 A C 2.203 179.699 177.584 -0.146 0.000 1.177 194 A CA 1.527 53.546 52.037 -0.031 0.000 0.636 194 A CB -0.515 18.365 19.000 -0.201 0.000 0.815 194 A HN 0.397 nan 8.150 nan 0.000 0.449 195 R N -0.619 119.817 120.500 -0.107 0.000 2.061 195 R HA 0.001 4.340 4.340 -0.002 0.000 0.230 195 R C 2.070 178.278 176.300 -0.153 0.000 1.140 195 R CA 1.499 57.532 56.100 -0.112 0.000 0.940 195 R CB -0.564 29.689 30.300 -0.078 0.000 0.839 195 R HN 0.526 nan 8.270 nan 0.000 0.429 196 L N 0.141 121.251 121.223 -0.188 0.000 2.261 196 L HA -0.145 4.194 4.340 -0.002 0.000 0.216 196 L C 2.519 179.232 176.870 -0.261 0.000 1.114 196 L CA 1.172 55.854 54.840 -0.263 0.000 0.777 196 L CB -0.433 41.352 42.059 -0.457 0.000 0.910 196 L HN 0.219 nan 8.230 nan 0.000 0.440 197 R N -0.015 120.276 120.500 -0.347 0.000 2.200 197 R HA -0.011 4.328 4.340 -0.002 0.000 0.208 197 R C 2.258 178.058 176.300 -0.833 0.000 1.033 197 R CA 0.432 56.139 56.100 -0.655 0.000 1.000 197 R CB 0.202 30.037 30.300 -0.775 0.000 0.906 197 R HN 0.329 nan 8.270 nan 0.000 0.462 198 L N -0.342 120.640 121.223 -0.401 0.000 2.084 198 L HA 0.033 4.372 4.340 -0.002 0.000 0.202 198 L C 2.272 179.059 176.870 -0.138 0.000 1.074 198 L CA 1.171 55.913 54.840 -0.163 0.000 0.757 198 L CB -0.367 41.647 42.059 -0.075 0.000 0.918 198 L HN 0.184 nan 8.230 nan 0.000 0.444 199 A N 0.189 122.970 122.820 -0.065 0.000 1.873 199 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 199 A C 2.262 179.914 177.584 0.113 0.000 1.193 199 A CA 2.017 54.094 52.037 0.066 0.000 0.629 199 A CB -1.625 17.395 19.000 0.032 0.000 0.826 199 A HN 0.547 nan 8.150 nan 0.000 0.447 200 G N -1.501 107.327 108.800 0.047 0.000 2.491 200 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.218 200 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.218 200 G C 1.387 176.498 174.900 0.352 0.000 1.180 200 G CA 1.060 46.271 45.100 0.185 0.000 0.774 200 G HN 0.589 nan 8.290 nan 0.000 0.562 201 W N 0.759 122.133 121.300 0.122 0.000 2.342 201 W HA -0.014 4.646 4.660 -0.000 0.000 0.297 201 W C 2.395 179.003 176.519 0.150 0.000 1.213 201 W CA 1.019 58.425 57.345 0.102 0.000 1.251 201 W CB -1.231 28.201 29.460 -0.047 0.000 1.136 201 W HN 0.502 nan 8.180 nan 0.000 0.526 202 H N -0.307 118.979 119.070 0.360 0.000 2.267 202 H HA -0.181 4.374 4.556 -0.002 0.000 0.297 202 H C 2.333 177.757 175.328 0.160 0.000 1.080 202 H CA 2.067 58.240 56.048 0.209 0.000 1.278 202 H CB -0.224 29.620 29.762 0.138 0.000 1.365 202 H HN -0.083 nan 8.280 nan 0.000 0.489 203 K N 0.428 120.984 120.400 0.259 0.000 2.052 203 K HA -0.280 4.039 4.320 -0.002 0.000 0.215 203 K C 1.804 178.352 176.600 -0.087 0.000 1.053 203 K CA 2.168 58.472 56.287 0.030 0.000 0.934 203 K CB -0.274 32.189 32.500 -0.062 0.000 0.717 203 K HN 0.308 nan 8.250 nan 0.000 0.450 204 Y N 0.510 120.907 120.300 0.162 0.000 2.314 204 Y HA -0.096 4.453 4.550 -0.002 0.000 0.293 204 Y C 2.080 178.059 175.900 0.133 0.000 1.129 204 Y CA 0.883 59.069 58.100 0.144 0.000 1.201 204 Y CB -0.065 38.496 38.460 0.168 0.000 0.999 204 Y HN 0.036 nan 8.280 nan 0.000 0.541 205 L N -1.400 119.986 121.223 0.272 0.000 2.044 205 L HA -0.191 4.148 4.340 -0.002 0.000 0.205 205 L C 2.511 179.453 176.870 0.121 0.000 1.075 205 L CA 1.575 56.527 54.840 0.187 0.000 0.747 205 L CB -0.816 41.359 42.059 0.193 0.000 0.903 205 L HN 0.105 nan 8.230 nan 0.000 0.435 206 T N -0.897 113.722 114.554 0.108 0.000 2.720 206 T HA -0.221 4.128 4.350 -0.002 0.000 0.268 206 T C 2.053 176.768 174.700 0.025 0.000 1.037 206 T CA 1.327 63.457 62.100 0.051 0.000 1.144 206 T CB -0.059 68.828 68.868 0.033 0.000 0.864 206 T HN 0.047 nan 8.240 nan 0.000 0.444 207 R N 1.306 121.810 120.500 0.005 0.000 2.159 207 R HA 0.081 4.420 4.340 -0.002 0.000 0.237 207 R C 1.574 177.890 176.300 0.026 0.000 1.131 207 R CA 1.250 57.340 56.100 -0.017 0.000 0.982 207 R CB -0.461 29.789 30.300 -0.083 0.000 0.868 207 R HN 0.435 nan 8.270 nan 0.000 0.453 208 N N -0.171 118.564 118.700 0.059 0.000 2.270 208 N HA 0.028 4.768 4.740 -0.002 0.000 0.198 208 N C -0.414 175.125 175.510 0.048 0.000 1.117 208 N CA -0.014 53.075 53.050 0.065 0.000 0.845 208 N CB 0.588 39.133 38.487 0.096 0.000 0.980 208 N HN 0.056 nan 8.380 nan 0.000 0.486 209 Q N -1.148 118.674 119.800 0.038 0.000 2.393 209 Q HA -0.176 4.164 4.340 -0.002 0.000 0.211 209 Q C -0.472 175.546 176.000 0.030 0.000 0.653 209 Q CA 0.901 56.721 55.803 0.027 0.000 1.331 209 Q CB -1.741 27.010 28.738 0.022 0.000 1.349 209 Q HN 0.451 nan 8.270 nan 0.000 0.824 210 I N 0.879 121.475 120.570 0.043 0.000 2.648 210 I HA 0.410 4.579 4.170 -0.002 0.000 0.304 210 I C 0.276 176.423 176.117 0.050 0.000 1.009 210 I CA -0.856 60.469 61.300 0.043 0.000 1.114 210 I CB 1.812 39.842 38.000 0.050 0.000 1.293 210 I HN -0.176 nan 8.210 nan 0.000 0.449 211 Q N 4.104 123.928 119.800 0.039 0.000 2.372 211 Q HA 0.408 4.747 4.340 -0.002 0.000 0.273 211 Q C -2.522 173.503 176.000 0.042 0.000 1.078 211 Q CA -1.938 53.891 55.803 0.043 0.000 0.806 211 Q CB 2.244 30.991 28.738 0.015 0.000 1.332 211 Q HN 0.338 nan 8.270 nan 0.000 0.435 212 P HA 0.032 nan 4.420 nan 0.000 0.261 212 P C 0.817 178.128 177.300 0.018 0.000 1.203 212 P CA 0.233 63.358 63.100 0.041 0.000 0.767 212 P CB 0.166 31.921 31.700 0.092 0.000 0.785 213 I N 0.337 120.906 120.570 -0.001 0.000 3.241 213 I HA 0.252 4.421 4.170 -0.002 0.000 0.280 213 I C 0.496 176.606 176.117 -0.011 0.000 1.320 213 I CA 0.206 61.502 61.300 -0.006 0.000 1.413 213 I CB -0.169 37.824 38.000 -0.012 0.000 1.060 213 I HN 0.280 nan 8.210 nan 0.000 0.500 214 A N 1.027 123.841 122.820 -0.011 0.000 2.583 214 A HA 0.645 4.964 4.320 -0.002 0.000 0.292 214 A C -1.117 176.462 177.584 -0.008 0.000 1.045 214 A CA -0.606 51.422 52.037 -0.014 0.000 0.672 214 A CB 1.089 20.070 19.000 -0.032 0.000 1.283 214 A HN 0.317 nan 8.150 nan 0.000 0.419 215 E N 1.087 121.286 120.200 -0.001 0.000 2.466 215 E HA 0.384 4.733 4.350 -0.002 0.000 0.308 215 E C -0.988 175.610 176.600 -0.003 0.000 0.933 215 E CA -0.618 55.789 56.400 0.011 0.000 0.800 215 E CB 0.712 30.458 29.700 0.076 0.000 1.434 215 E HN 0.629 nan 8.360 nan 0.000 0.389 216 R N 1.891 122.376 120.500 -0.024 0.000 2.797 216 R HA 0.515 4.854 4.340 -0.002 0.000 0.251 216 R C -0.403 175.873 176.300 -0.039 0.000 1.107 216 R CA -0.734 55.347 56.100 -0.033 0.000 1.084 216 R CB 0.954 31.229 30.300 -0.043 0.000 1.205 216 R HN 0.614 nan 8.270 nan 0.000 0.515 217 E N -0.471 119.696 120.200 -0.054 0.000 2.256 217 E HA 0.524 4.873 4.350 -0.002 0.000 0.268 217 E C -0.780 175.759 176.600 -0.103 0.000 0.877 217 E CA -0.600 55.748 56.400 -0.087 0.000 0.757 217 E CB 1.685 31.335 29.700 -0.084 0.000 1.183 217 E HN 0.695 nan 8.360 nan 0.000 0.418 218 G N 1.919 110.626 108.800 -0.155 0.000 3.122 218 G HA2 0.330 4.289 3.960 -0.002 0.000 0.180 218 G HA3 0.330 4.289 3.960 -0.002 0.000 0.180 218 G C -0.366 174.394 174.900 -0.234 0.000 1.279 218 G CA -0.053 44.959 45.100 -0.145 0.000 0.987 218 G HN 0.677 nan 8.290 nan 0.000 0.589 219 D N -3.152 117.125 120.400 -0.204 0.000 2.672 219 D HA 0.036 4.675 4.640 -0.002 0.000 0.287 219 D C 0.303 176.564 176.300 -0.066 0.000 1.559 219 D CA -0.588 53.267 54.000 -0.242 0.000 0.796 219 D CB -0.836 39.914 40.800 -0.083 0.000 1.181 219 D HN 0.733 nan 8.370 nan 0.000 0.458 220 W N 0.289 121.584 121.300 -0.008 0.000 1.277 220 W HA -0.285 4.374 4.660 -0.001 0.000 0.236 220 W C 0.609 177.108 176.519 -0.033 0.000 0.973 220 W CA 0.399 57.732 57.345 -0.020 0.000 0.390 220 W CB -1.856 27.586 29.460 -0.029 0.000 1.977 220 W HN 0.238 nan 8.180 nan 0.000 1.223 221 S N 0.820 116.620 115.700 0.168 0.000 2.632 221 S HA 0.731 5.200 4.470 -0.002 0.000 0.271 221 S C 0.994 175.630 174.600 0.059 0.000 1.260 221 S CA -0.178 58.075 58.200 0.089 0.000 1.010 221 S CB 1.894 65.134 63.200 0.067 0.000 0.965 221 S HN 0.633 nan 8.310 nan 0.000 0.534 222 A N 1.516 124.349 122.820 0.021 0.000 2.178 222 A HA -0.022 4.297 4.320 -0.002 0.000 0.218 222 A C 1.848 179.447 177.584 0.025 0.000 1.157 222 A CA 1.433 53.473 52.037 0.004 0.000 0.689 222 A CB -0.778 18.196 19.000 -0.042 0.000 0.787 222 A HN 0.850 nan 8.150 nan 0.000 0.465 223 M N 0.079 119.698 119.600 0.033 0.000 2.357 223 M HA -0.011 4.468 4.480 -0.002 0.000 0.266 223 M C 2.161 178.527 176.300 0.110 0.000 1.095 223 M CA 1.790 57.125 55.300 0.058 0.000 1.156 223 M CB -0.315 32.297 32.600 0.019 0.000 1.365 223 M HN 0.425 nan 8.290 nan 0.000 0.447 224 S N -0.908 114.834 115.700 0.071 0.000 2.447 224 S HA 0.005 4.474 4.470 -0.002 0.000 0.233 224 S C 2.037 176.670 174.600 0.055 0.000 1.006 224 S CA 0.946 59.176 58.200 0.050 0.000 0.957 224 S CB -1.431 61.775 63.200 0.008 0.000 0.773 224 S HN 0.548 nan 8.310 nan 0.000 0.507 225 G N 0.564 109.412 108.800 0.080 0.000 2.403 225 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.216 225 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.216 225 G C 1.104 176.061 174.900 0.094 0.000 1.154 225 G CA 0.531 45.674 45.100 0.072 0.000 0.784 225 G HN 0.499 nan 8.290 nan 0.000 0.538 226 F N 1.451 121.388 119.950 -0.022 0.000 2.113 226 F HA -0.034 4.492 4.527 -0.001 0.000 0.297 226 F C 3.047 178.835 175.800 -0.021 0.000 1.103 226 F CA 1.891 59.878 58.000 -0.023 0.000 1.248 226 F CB -0.181 38.805 39.000 -0.023 0.000 0.999 226 F HN 0.189 nan 8.300 nan 0.000 0.475 227 Q N -0.507 119.360 119.800 0.111 0.000 2.079 227 Q HA -0.204 4.135 4.340 -0.002 0.000 0.200 227 Q C 2.015 177.973 176.000 -0.070 0.000 0.974 227 Q CA 1.449 57.254 55.803 0.004 0.000 0.840 227 Q CB -0.375 28.404 28.738 0.069 0.000 0.898 227 Q HN 0.458 nan 8.270 nan 0.000 0.430 228 Q N -0.266 119.506 119.800 -0.047 0.000 2.436 228 Q HA -0.036 4.303 4.340 -0.002 0.000 0.209 228 Q C 1.432 177.380 176.000 -0.088 0.000 0.965 228 Q CA 1.064 56.831 55.803 -0.059 0.000 0.910 228 Q CB 0.172 28.884 28.738 -0.044 0.000 0.980 228 Q HN 0.364 nan 8.270 nan 0.000 0.491 229 T N 0.952 115.430 114.554 -0.127 0.000 3.037 229 T HA 0.062 4.411 4.350 -0.002 0.000 0.252 229 T C 1.775 176.349 174.700 -0.210 0.000 1.073 229 T CA 0.324 62.334 62.100 -0.150 0.000 1.091 229 T CB 0.082 68.865 68.868 -0.142 0.000 0.935 229 T HN 0.344 nan 8.240 nan 0.000 0.488 230 M N 0.886 120.314 119.600 -0.287 0.000 2.123 230 M HA -0.028 4.451 4.480 -0.002 0.000 0.263 230 M C 2.056 178.262 176.300 -0.157 0.000 1.069 230 M CA 1.527 56.654 55.300 -0.288 0.000 1.133 230 M CB -0.313 32.089 32.600 -0.330 0.000 1.356 230 M HN 0.064 nan 8.290 nan 0.000 0.415 231 Q N 0.593 120.319 119.800 -0.123 0.000 1.889 231 Q HA -0.188 4.152 4.340 -0.002 0.000 0.211 231 Q C 2.307 178.264 176.000 -0.072 0.000 0.988 231 Q CA 2.184 57.940 55.803 -0.079 0.000 0.861 231 Q CB -0.504 28.198 28.738 -0.060 0.000 0.922 231 Q HN 0.587 nan 8.270 nan 0.000 0.425 232 M N 0.521 120.079 119.600 -0.069 0.000 2.252 232 M HA -0.231 4.248 4.480 -0.002 0.000 0.257 232 M C 1.591 177.854 176.300 -0.061 0.000 1.077 232 M CA 1.609 56.873 55.300 -0.059 0.000 1.066 232 M CB -0.240 32.324 32.600 -0.060 0.000 1.380 232 M HN 0.311 nan 8.290 nan 0.000 0.412 233 L N -0.665 120.513 121.223 -0.076 0.000 2.202 233 L HA -0.119 4.220 4.340 -0.002 0.000 0.205 233 L C 1.839 178.673 176.870 -0.060 0.000 1.083 233 L CA 0.536 55.334 54.840 -0.070 0.000 0.790 233 L CB -0.576 41.430 42.059 -0.089 0.000 0.942 233 L HN 0.267 nan 8.230 nan 0.000 0.452 234 N N 0.189 118.849 118.700 -0.066 0.000 2.270 234 N HA -0.180 4.559 4.740 -0.002 0.000 0.181 234 N C 1.327 176.813 175.510 -0.039 0.000 1.016 234 N CA 0.753 53.772 53.050 -0.052 0.000 0.870 234 N CB 0.006 38.460 38.487 -0.055 0.000 0.979 234 N HN 0.296 nan 8.380 nan 0.000 0.431 235 E N 0.302 120.478 120.200 -0.039 0.000 2.296 235 E HA 0.086 4.435 4.350 -0.002 0.000 0.196 235 E C 0.442 177.025 176.600 -0.028 0.000 1.143 235 E CA 0.076 56.457 56.400 -0.030 0.000 1.145 235 E CB -0.635 29.047 29.700 -0.030 0.000 1.215 235 E HN 0.342 nan 8.360 nan 0.000 0.447 236 G N 1.188 109.970 108.800 -0.030 0.000 2.220 236 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.269 236 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.269 236 G C 0.388 175.272 174.900 -0.026 0.000 0.977 236 G CA 0.573 45.658 45.100 -0.026 0.000 0.634 236 G HN 0.430 nan 8.290 nan 0.000 0.539 237 I N 0.877 121.429 120.570 -0.030 0.000 2.496 237 I HA 0.413 4.582 4.170 -0.002 0.000 0.285 237 I C 0.309 176.406 176.117 -0.033 0.000 1.080 237 I CA -0.339 60.943 61.300 -0.029 0.000 1.404 237 I CB 1.635 39.615 38.000 -0.032 0.000 1.403 237 I HN -0.112 nan 8.210 nan 0.000 0.539 238 V N 8.248 128.146 119.914 -0.027 0.000 2.383 238 V HA 0.223 4.342 4.120 -0.002 0.000 0.261 238 V C -1.735 174.345 176.094 -0.023 0.000 0.987 238 V CA -1.184 61.099 62.300 -0.028 0.000 0.853 238 V CB 0.595 32.404 31.823 -0.022 0.000 1.095 238 V HN 0.661 nan 8.190 nan 0.000 0.461 239 P HA 0.168 nan 4.420 nan 0.000 0.285 239 P C 0.479 177.764 177.300 -0.024 0.000 1.282 239 P CA 0.273 63.354 63.100 -0.032 0.000 0.778 239 P CB 0.793 32.458 31.700 -0.059 0.000 1.222 240 T N -5.117 109.424 114.554 -0.021 0.000 3.058 240 T HA 0.619 4.968 4.350 -0.002 0.000 0.278 240 T C 0.206 174.785 174.700 -0.202 0.000 0.974 240 T CA -0.103 61.999 62.100 0.003 0.000 0.893 240 T CB -0.055 68.915 68.868 0.170 0.000 1.138 240 T HN 0.717 nan 8.240 nan 0.000 0.529 241 A N 1.267 123.942 122.820 -0.240 0.000 2.594 241 A HA 0.776 5.095 4.320 -0.002 0.000 0.296 241 A C -1.550 175.900 177.584 -0.224 0.000 1.061 241 A CA -0.941 50.878 52.037 -0.362 0.000 0.689 241 A CB 1.310 19.962 19.000 -0.580 0.000 1.280 241 A HN 0.299 nan 8.150 nan 0.000 0.406 242 M N 2.084 121.562 119.600 -0.204 0.000 2.446 242 M HA 0.461 4.940 4.480 -0.002 0.000 0.294 242 M C -1.394 174.760 176.300 -0.243 0.000 1.158 242 M CA -0.294 54.886 55.300 -0.199 0.000 0.899 242 M CB 2.187 34.705 32.600 -0.137 0.000 1.687 242 M HN 0.547 nan 8.290 nan 0.000 0.455 243 L N 3.398 124.376 121.223 -0.409 0.000 2.277 243 L HA 0.517 4.856 4.340 -0.002 0.000 0.284 243 L C -0.779 175.789 176.870 -0.503 0.000 1.028 243 L CA -0.845 53.649 54.840 -0.576 0.000 0.835 243 L CB 1.402 42.692 42.059 -1.282 0.000 1.215 243 L HN 0.433 nan 8.230 nan 0.000 0.425 244 V N 2.747 122.608 119.914 -0.088 0.000 2.509 244 V HA 0.255 4.374 4.120 -0.002 0.000 0.284 244 V C 0.998 177.338 176.094 0.410 0.000 1.047 244 V CA -0.340 62.022 62.300 0.103 0.000 0.952 244 V CB 1.625 33.515 31.823 0.112 0.000 0.988 244 V HN 0.868 nan 8.190 nan 0.000 0.469 245 A N 4.739 127.844 122.820 0.475 0.000 2.346 245 A HA 0.302 4.621 4.320 -0.002 0.000 0.242 245 A C 0.622 178.454 177.584 0.413 0.000 1.323 245 A CA 0.281 52.586 52.037 0.447 0.000 0.940 245 A CB -0.812 18.353 19.000 0.275 0.000 0.943 245 A HN 0.954 nan 8.150 nan 0.000 0.501 246 N N -1.213 117.735 118.700 0.412 0.000 5.240 246 N HA -0.071 4.668 4.740 -0.002 0.000 0.179 246 N C -1.248 174.432 175.510 0.284 0.000 1.071 246 N CA -0.080 53.193 53.050 0.372 0.000 0.951 246 N CB -0.251 38.532 38.487 0.493 0.000 1.566 246 N HN -0.081 nan 8.380 nan 0.000 0.633 247 D N 1.152 121.691 120.400 0.231 0.000 2.269 247 D HA 0.010 4.649 4.640 -0.002 0.000 0.208 247 D C 1.498 177.958 176.300 0.266 0.000 0.963 247 D CA 1.282 55.426 54.000 0.238 0.000 0.864 247 D CB 0.373 41.287 40.800 0.190 0.000 0.936 247 D HN 0.453 nan 8.370 nan 0.000 0.505 248 Q N -0.441 119.447 119.800 0.147 0.000 2.049 248 Q HA -0.001 4.338 4.340 -0.002 0.000 0.198 248 Q C 1.966 178.007 176.000 0.069 0.000 0.971 248 Q CA 0.746 56.584 55.803 0.058 0.000 0.833 248 Q CB -0.006 28.680 28.738 -0.088 0.000 0.896 248 Q HN 0.328 nan 8.270 nan 0.000 0.434 249 M N -0.179 119.494 119.600 0.120 0.000 2.530 249 M HA -0.139 4.340 4.480 -0.002 0.000 0.261 249 M C 1.954 178.308 176.300 0.091 0.000 1.067 249 M CA 0.917 56.280 55.300 0.106 0.000 1.071 249 M CB -0.122 32.554 32.600 0.127 0.000 1.405 249 M HN 0.213 nan 8.290 nan 0.000 0.478 250 A N -0.013 122.874 122.820 0.112 0.000 2.016 250 A HA -0.016 4.303 4.320 -0.002 0.000 0.217 250 A C 2.047 179.651 177.584 0.033 0.000 1.162 250 A CA 0.617 52.717 52.037 0.104 0.000 0.662 250 A CB -0.481 18.628 19.000 0.180 0.000 0.812 250 A HN 0.464 nan 8.150 nan 0.000 0.450 251 L N -0.736 120.442 121.223 -0.075 0.000 2.201 251 L HA -0.096 4.243 4.340 -0.002 0.000 0.212 251 L C 2.480 179.311 176.870 -0.065 0.000 1.105 251 L CA 1.130 55.823 54.840 -0.245 0.000 0.775 251 L CB -0.342 41.432 42.059 -0.475 0.000 0.913 251 L HN 0.501 nan 8.230 nan 0.000 0.440 252 G N -1.277 107.541 108.800 0.029 0.000 2.404 252 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.213 252 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.213 252 G C 1.679 176.704 174.900 0.208 0.000 1.189 252 G CA 0.577 45.788 45.100 0.186 0.000 0.796 252 G HN 0.459 nan 8.290 nan 0.000 0.532 253 A N 0.765 123.639 122.820 0.089 0.000 1.883 253 A HA -0.009 4.310 4.320 -0.002 0.000 0.217 253 A C 2.456 180.059 177.584 0.033 0.000 1.186 253 A CA 1.859 53.913 52.037 0.028 0.000 0.624 253 A CB -0.434 18.572 19.000 0.010 0.000 0.822 253 A HN 0.359 nan 8.150 nan 0.000 0.444 254 M N -1.497 118.129 119.600 0.044 0.000 2.080 254 M HA -0.190 4.289 4.480 -0.002 0.000 0.260 254 M C 2.463 178.799 176.300 0.060 0.000 1.068 254 M CA 2.052 57.376 55.300 0.040 0.000 1.109 254 M CB -0.336 32.283 32.600 0.032 0.000 1.342 254 M HN 0.501 nan 8.290 nan 0.000 0.405 255 R N 0.080 120.645 120.500 0.109 0.000 2.115 255 R HA -0.073 4.266 4.340 -0.002 0.000 0.226 255 R C 2.058 178.512 176.300 0.256 0.000 1.100 255 R CA 1.249 57.459 56.100 0.184 0.000 0.980 255 R CB -0.071 30.348 30.300 0.198 0.000 0.875 255 R HN 0.352 nan 8.270 nan 0.000 0.445 256 A N 1.252 124.162 122.820 0.149 0.000 1.840 256 A HA -0.093 4.226 4.320 -0.002 0.000 0.214 256 A C 2.064 179.605 177.584 -0.073 0.000 1.198 256 A CA 1.199 53.143 52.037 -0.156 0.000 0.608 256 A CB -0.565 18.197 19.000 -0.397 0.000 0.839 256 A HN 0.303 nan 8.150 nan 0.000 0.443 257 I N 0.292 120.834 120.570 -0.046 0.000 2.381 257 I HA -0.303 3.866 4.170 -0.002 0.000 0.255 257 I C 2.352 178.465 176.117 -0.006 0.000 1.140 257 I CA 1.792 63.074 61.300 -0.030 0.000 1.404 257 I CB -0.560 37.430 38.000 -0.018 0.000 1.075 257 I HN 0.312 nan 8.210 nan 0.000 0.433 258 T N -0.297 114.269 114.554 0.020 0.000 2.852 258 T HA -0.055 4.294 4.350 -0.002 0.000 0.256 258 T C 1.551 176.269 174.700 0.031 0.000 1.038 258 T CA 0.777 62.895 62.100 0.029 0.000 1.141 258 T CB -0.172 68.722 68.868 0.043 0.000 0.869 258 T HN 0.402 nan 8.240 nan 0.000 0.439 259 E N 1.752 121.983 120.200 0.051 0.000 2.510 259 E HA 0.008 4.357 4.350 -0.002 0.000 0.202 259 E C 0.963 177.573 176.600 0.018 0.000 1.072 259 E CA 0.436 56.868 56.400 0.054 0.000 0.883 259 E CB -0.100 29.671 29.700 0.118 0.000 0.818 259 E HN 0.312 nan 8.360 nan 0.000 0.548 260 S N -0.379 115.318 115.700 -0.005 0.000 2.575 260 S HA 0.264 4.733 4.470 -0.002 0.000 0.237 260 S C 1.142 175.736 174.600 -0.010 0.000 0.975 260 S CA 0.235 58.424 58.200 -0.019 0.000 0.960 260 S CB 1.075 64.249 63.200 -0.043 0.000 0.822 260 S HN 0.463 nan 8.310 nan 0.000 0.472 261 G N 1.225 110.025 108.800 0.001 0.000 2.168 261 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.263 261 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.263 261 G C -0.203 174.698 174.900 0.002 0.000 0.977 261 G CA -0.059 45.043 45.100 0.003 0.000 0.659 261 G HN 0.394 nan 8.290 nan 0.000 0.533 262 L N 0.097 121.320 121.223 -0.000 0.000 2.334 262 L HA 0.660 4.999 4.340 -0.002 0.000 0.275 262 L C 0.867 177.742 176.870 0.007 0.000 1.036 262 L CA -1.052 53.788 54.840 0.000 0.000 0.807 262 L CB 1.415 43.469 42.059 -0.008 0.000 1.231 262 L HN 0.211 nan 8.230 nan 0.000 0.438 263 R N 1.632 122.138 120.500 0.010 0.000 2.202 263 R HA 0.443 4.782 4.340 -0.002 0.000 0.334 263 R C -0.411 175.899 176.300 0.017 0.000 1.036 263 R CA -0.588 55.521 56.100 0.016 0.000 0.878 263 R CB 1.258 31.568 30.300 0.018 0.000 1.067 263 R HN 0.473 nan 8.270 nan 0.000 0.457 264 V N 3.322 123.248 119.914 0.021 0.000 2.999 264 V HA 0.356 4.475 4.120 -0.002 0.000 0.307 264 V C 1.221 177.331 176.094 0.027 0.000 1.084 264 V CA 1.537 63.850 62.300 0.021 0.000 1.155 264 V CB 0.649 32.489 31.823 0.029 0.000 0.975 264 V HN 0.999 nan 8.190 nan 0.000 0.490 265 G N 4.159 112.974 108.800 0.025 0.000 3.909 265 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.218 265 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.218 265 G C 1.268 176.193 174.900 0.041 0.000 1.404 265 G CA 1.098 46.220 45.100 0.036 0.000 0.905 265 G HN 2.030 nan 8.290 nan 0.000 0.589 266 A N -0.329 122.512 122.820 0.035 0.000 1.929 266 A HA 0.306 4.625 4.320 -0.002 0.000 0.216 266 A C 1.871 179.477 177.584 0.036 0.000 1.176 266 A CA 2.519 54.577 52.037 0.035 0.000 0.628 266 A CB -0.245 18.771 19.000 0.026 0.000 0.816 266 A HN 0.508 nan 8.150 nan 0.000 0.444 267 D N -0.904 119.513 120.400 0.028 0.000 2.928 267 D HA 0.198 4.837 4.640 -0.002 0.000 0.265 267 D C 0.312 176.624 176.300 0.020 0.000 1.542 267 D CA 0.120 54.134 54.000 0.024 0.000 1.133 267 D CB -0.244 40.563 40.800 0.011 0.000 1.057 267 D HN 0.142 nan 8.370 nan 0.000 0.331 268 I N 1.409 121.977 120.570 -0.002 0.000 2.428 268 I HA 0.228 4.397 4.170 -0.002 0.000 0.289 268 I C 0.177 176.271 176.117 -0.038 0.000 1.019 268 I CA -0.199 61.083 61.300 -0.030 0.000 1.351 268 I CB 0.800 38.777 38.000 -0.038 0.000 1.412 268 I HN -0.191 nan 8.210 nan 0.000 0.513 269 S N 5.123 120.764 115.700 -0.098 0.000 2.433 269 S HA 0.585 5.054 4.470 -0.002 0.000 0.310 269 S C -0.085 174.453 174.600 -0.103 0.000 1.097 269 S CA -0.556 57.584 58.200 -0.100 0.000 1.103 269 S CB 1.507 64.597 63.200 -0.183 0.000 0.992 269 S HN 0.328 nan 8.310 nan 0.000 0.469 270 V N 3.592 123.486 119.914 -0.033 0.000 2.630 270 V HA 0.639 4.759 4.120 -0.002 0.000 0.305 270 V C -0.361 175.748 176.094 0.025 0.000 1.046 270 V CA -0.689 61.603 62.300 -0.013 0.000 0.934 270 V CB 1.828 33.662 31.823 0.019 0.000 1.003 270 V HN 0.588 nan 8.190 nan 0.000 0.451 271 V N 2.835 122.770 119.914 0.036 0.000 2.488 271 V HA 0.640 4.759 4.120 -0.002 0.000 0.293 271 V C 0.606 176.778 176.094 0.130 0.000 1.027 271 V CA -0.125 62.223 62.300 0.079 0.000 0.862 271 V CB 1.515 33.391 31.823 0.089 0.000 1.008 271 V HN 1.045 nan 8.190 nan 0.000 0.428 272 G N 2.657 111.541 108.800 0.141 0.000 2.563 272 G HA2 0.470 4.429 3.960 -0.002 0.000 0.283 272 G HA3 0.470 4.429 3.960 -0.002 0.000 0.283 272 G C -1.594 173.465 174.900 0.265 0.000 1.309 272 G CA -0.213 45.010 45.100 0.205 0.000 1.022 272 G HN 0.548 nan 8.290 nan 0.000 0.501 273 Y N -0.577 119.807 120.300 0.139 0.000 2.396 273 Y HA 0.431 4.980 4.550 -0.002 0.000 0.332 273 Y C 0.068 176.005 175.900 0.062 0.000 1.034 273 Y CA -0.338 57.824 58.100 0.104 0.000 1.057 273 Y CB 2.092 40.653 38.460 0.167 0.000 1.220 273 Y HN 0.703 nan 8.280 nan 0.000 0.440 274 D N 1.728 122.153 120.400 0.042 0.000 1.938 274 D HA -0.175 4.464 4.640 -0.002 0.000 0.258 274 D C -0.627 175.668 176.300 -0.008 0.000 0.662 274 D CA 1.310 55.350 54.000 0.067 0.000 1.381 274 D CB -0.986 39.971 40.800 0.262 0.000 1.413 274 D HN 0.691 nan 8.370 nan 0.000 0.763 275 D N 0.563 120.983 120.400 0.032 0.000 4.044 275 D HA -0.109 4.530 4.640 -0.002 0.000 0.242 275 D C -0.404 175.961 176.300 0.109 0.000 1.076 275 D CA 1.400 55.400 54.000 -0.000 0.000 1.171 275 D CB -0.371 40.377 40.800 -0.086 0.000 0.866 275 D HN 0.398 nan 8.370 nan 0.000 0.413 276 T N 0.077 114.697 114.554 0.110 0.000 2.923 276 T HA 0.416 4.765 4.350 -0.002 0.000 0.281 276 T C 1.332 176.052 174.700 0.033 0.000 0.995 276 T CA -0.875 61.302 62.100 0.129 0.000 0.985 276 T CB 1.581 70.522 68.868 0.122 0.000 1.114 276 T HN 0.108 nan 8.240 nan 0.000 0.548 277 E N 0.864 121.081 120.200 0.028 0.000 2.136 277 E HA -0.200 4.149 4.350 -0.002 0.000 0.202 277 E C 1.491 178.060 176.600 -0.052 0.000 1.019 277 E CA 1.731 58.123 56.400 -0.013 0.000 0.819 277 E CB -0.288 29.399 29.700 -0.022 0.000 0.739 277 E HN 0.634 nan 8.360 nan 0.000 0.458 278 D N -0.448 119.924 120.400 -0.046 0.000 2.323 278 D HA 0.007 4.646 4.640 -0.002 0.000 0.209 278 D C 1.822 177.850 176.300 -0.455 0.000 0.973 278 D CA 0.279 54.228 54.000 -0.086 0.000 0.874 278 D CB -0.116 40.777 40.800 0.156 0.000 0.930 278 D HN -0.016 nan 8.370 nan 0.000 0.521 279 S N 0.533 115.866 115.700 -0.611 0.000 2.402 279 S HA -0.159 4.310 4.470 -0.002 0.000 0.233 279 S C 2.022 176.326 174.600 -0.492 0.000 1.030 279 S CA 1.307 58.969 58.200 -0.897 0.000 1.003 279 S CB -0.221 62.713 63.200 -0.442 0.000 0.813 279 S HN 0.397 nan 8.310 nan 0.000 0.477 280 S N -0.676 114.872 115.700 -0.254 0.000 2.607 280 S HA 0.059 4.528 4.470 -0.002 0.000 0.224 280 S C 1.313 175.867 174.600 -0.077 0.000 0.969 280 S CA 0.244 58.367 58.200 -0.127 0.000 0.927 280 S CB -0.487 62.666 63.200 -0.078 0.000 0.772 280 S HN 0.552 nan 8.310 nan 0.000 0.533 281 C N 0.564 119.811 119.300 -0.088 0.000 3.183 281 C HA 0.458 4.917 4.460 -0.002 0.000 0.285 281 C C 0.261 175.344 174.990 0.156 0.000 1.313 281 C CA -1.072 57.961 59.018 0.025 0.000 1.711 281 C CB -1.222 26.540 27.740 0.038 0.000 2.135 281 C HN 0.471 nan 8.230 nan 0.000 0.651 282 Y N 1.032 121.351 120.300 0.032 0.000 2.394 282 Y HA 0.067 4.616 4.550 -0.002 0.000 0.351 282 Y C 1.708 177.626 175.900 0.030 0.000 1.272 282 Y CA -0.690 57.431 58.100 0.035 0.000 1.508 282 Y CB -0.026 38.458 38.460 0.041 0.000 1.369 282 Y HN -0.006 nan 8.280 nan 0.000 0.639 283 I N 2.150 122.841 120.570 0.201 0.000 2.126 283 I HA -0.178 3.991 4.170 -0.002 0.000 0.200 283 I C -1.470 174.711 176.117 0.106 0.000 1.014 283 I CA 0.509 61.878 61.300 0.115 0.000 1.339 283 I CB -2.251 35.792 38.000 0.071 0.000 1.086 283 I HN 0.380 nan 8.210 nan 0.000 0.393 284 P HA 0.118 nan 4.420 nan 0.000 0.269 284 P C -2.395 174.963 177.300 0.097 0.000 1.252 284 P CA -0.912 62.235 63.100 0.078 0.000 0.780 284 P CB 0.067 31.806 31.700 0.064 0.000 0.829 285 P HA -0.068 nan 4.420 nan 0.000 0.261 285 P C 0.022 177.350 177.300 0.047 0.000 1.173 285 P CA 0.425 63.557 63.100 0.054 0.000 0.760 285 P CB 0.342 32.053 31.700 0.018 0.000 0.783 286 L N 3.417 124.663 121.223 0.039 0.000 2.584 286 L HA -0.007 4.332 4.340 -0.002 0.000 0.272 286 L C 0.682 177.558 176.870 0.010 0.000 1.195 286 L CA 0.704 55.570 54.840 0.043 0.000 0.920 286 L CB -0.064 42.024 42.059 0.047 0.000 1.173 286 L HN 0.363 nan 8.230 nan 0.000 0.489 287 T N 2.840 117.409 114.554 0.026 0.000 2.739 287 T HA 0.244 4.593 4.350 -0.002 0.000 0.298 287 T C 0.221 174.916 174.700 -0.009 0.000 0.929 287 T CA -0.068 62.029 62.100 -0.004 0.000 1.014 287 T CB 0.605 69.492 68.868 0.032 0.000 0.914 287 T HN 0.711 nan 8.240 nan 0.000 0.509 288 T N 2.564 117.089 114.554 -0.049 0.000 2.858 288 T HA 0.699 5.048 4.350 -0.002 0.000 0.285 288 T C -0.869 173.748 174.700 -0.137 0.000 1.052 288 T CA -0.849 61.219 62.100 -0.053 0.000 1.009 288 T CB 0.908 69.756 68.868 -0.034 0.000 1.241 288 T HN 0.377 nan 8.240 nan 0.000 0.542 289 I N 2.804 123.243 120.570 -0.219 0.000 2.330 289 I HA 0.366 4.535 4.170 -0.002 0.000 0.286 289 I C -0.253 175.614 176.117 -0.417 0.000 1.025 289 I CA -0.769 60.299 61.300 -0.388 0.000 1.197 289 I CB 1.285 38.867 38.000 -0.696 0.000 1.358 289 I HN 0.452 nan 8.210 nan 0.000 0.467 290 K N 6.502 126.713 120.400 -0.315 0.000 2.412 290 K HA 0.155 4.474 4.320 -0.002 0.000 0.284 290 K C -0.567 175.762 176.600 -0.451 0.000 1.046 290 K CA 0.391 56.488 56.287 -0.317 0.000 0.999 290 K CB 0.416 32.788 32.500 -0.214 0.000 0.941 290 K HN 0.437 nan 8.250 nan 0.000 0.474 291 Q N 3.595 122.979 119.800 -0.694 0.000 2.368 291 Q HA 0.096 4.435 4.340 -0.002 0.000 0.263 291 Q C -1.040 174.300 176.000 -1.100 0.000 1.009 291 Q CA -0.708 54.413 55.803 -1.137 0.000 0.818 291 Q CB 1.440 29.099 28.738 -1.798 0.000 1.239 291 Q HN 0.586 nan 8.270 nan 0.000 0.464 292 D N 2.937 123.074 120.400 -0.439 0.000 2.398 292 D HA 0.012 4.651 4.640 -0.002 0.000 0.250 292 D C 0.177 176.418 176.300 -0.098 0.000 1.287 292 D CA -0.043 53.828 54.000 -0.215 0.000 0.992 292 D CB 0.126 40.898 40.800 -0.047 0.000 1.071 292 D HN 0.392 nan 8.370 nan 0.000 0.514 293 F N 2.017 122.025 119.950 0.096 0.000 2.408 293 F HA -0.041 4.485 4.527 -0.002 0.000 0.300 293 F C 2.344 178.201 175.800 0.095 0.000 1.090 293 F CA 0.571 58.649 58.000 0.130 0.000 1.427 293 F CB -0.142 38.889 39.000 0.052 0.000 1.070 293 F HN 0.260 nan 8.300 nan 0.000 0.549 294 R N -0.415 120.194 120.500 0.183 0.000 2.062 294 R HA -0.050 4.289 4.340 -0.002 0.000 0.226 294 R C 2.115 178.461 176.300 0.077 0.000 1.125 294 R CA 0.871 57.037 56.100 0.111 0.000 0.966 294 R CB -0.733 29.610 30.300 0.072 0.000 0.861 294 R HN 0.212 nan 8.270 nan 0.000 0.433 295 L N 1.183 122.443 121.223 0.062 0.000 2.131 295 L HA -0.102 4.237 4.340 -0.002 0.000 0.210 295 L C 1.905 178.788 176.870 0.022 0.000 1.092 295 L CA 1.463 56.321 54.840 0.030 0.000 0.759 295 L CB -0.391 41.678 42.059 0.016 0.000 0.903 295 L HN 0.139 nan 8.230 nan 0.000 0.435 296 L N -0.375 120.888 121.223 0.065 0.000 2.044 296 L HA 0.175 4.514 4.340 -0.002 0.000 0.205 296 L C 2.344 179.243 176.870 0.047 0.000 1.075 296 L CA 1.909 56.764 54.840 0.025 0.000 0.747 296 L CB -1.463 40.672 42.059 0.126 0.000 0.903 296 L HN 0.228 nan 8.230 nan 0.000 0.435 297 G N -0.863 107.995 108.800 0.096 0.000 2.491 297 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.218 297 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.218 297 G C 1.455 176.374 174.900 0.031 0.000 1.180 297 G CA 0.950 46.091 45.100 0.068 0.000 0.774 297 G HN 0.554 nan 8.290 nan 0.000 0.562 298 Q N 0.324 120.140 119.800 0.026 0.000 1.956 298 Q HA -0.212 4.127 4.340 -0.002 0.000 0.208 298 Q C 2.887 178.884 176.000 -0.004 0.000 0.998 298 Q CA 3.121 58.929 55.803 0.009 0.000 0.855 298 Q CB -0.813 27.930 28.738 0.009 0.000 0.928 298 Q HN 0.566 nan 8.270 nan 0.000 0.418 299 T N -1.149 113.396 114.554 -0.014 0.000 2.721 299 T HA -0.177 4.172 4.350 -0.002 0.000 0.268 299 T C 2.118 176.803 174.700 -0.026 0.000 1.038 299 T CA 1.807 63.890 62.100 -0.027 0.000 1.145 299 T CB -0.508 68.330 68.868 -0.050 0.000 0.858 299 T HN 0.198 nan 8.240 nan 0.000 0.459 300 S N 1.093 116.780 115.700 -0.022 0.000 2.344 300 S HA -0.067 4.402 4.470 -0.002 0.000 0.217 300 S C 2.311 176.901 174.600 -0.016 0.000 1.033 300 S CA 1.363 59.552 58.200 -0.018 0.000 1.017 300 S CB -0.718 62.477 63.200 -0.007 0.000 0.941 300 S HN 0.438 nan 8.310 nan 0.000 0.430 301 V N 2.771 122.679 119.914 -0.011 0.000 2.287 301 V HA -0.204 3.915 4.120 -0.002 0.000 0.248 301 V C 2.172 178.258 176.094 -0.013 0.000 1.053 301 V CA 1.863 64.156 62.300 -0.012 0.000 1.027 301 V CB -0.827 30.992 31.823 -0.007 0.000 0.646 301 V HN 0.401 nan 8.190 nan 0.000 0.447 302 D N -0.091 120.302 120.400 -0.011 0.000 2.103 302 D HA -0.231 4.408 4.640 -0.002 0.000 0.190 302 D C 2.300 178.592 176.300 -0.012 0.000 0.997 302 D CA 1.907 55.901 54.000 -0.011 0.000 0.833 302 D CB -0.305 40.489 40.800 -0.011 0.000 0.961 302 D HN 0.361 nan 8.370 nan 0.000 0.447 303 R N 0.468 120.959 120.500 -0.014 0.000 2.105 303 R HA -0.156 4.183 4.340 -0.002 0.000 0.239 303 R C 2.408 178.701 176.300 -0.012 0.000 1.135 303 R CA 0.780 56.873 56.100 -0.013 0.000 0.967 303 R CB -0.406 29.886 30.300 -0.013 0.000 0.861 303 R HN 0.113 nan 8.270 nan 0.000 0.442 304 L N 1.025 122.239 121.223 -0.016 0.000 2.079 304 L HA -0.143 4.196 4.340 -0.002 0.000 0.210 304 L C 1.743 178.602 176.870 -0.018 0.000 1.081 304 L CA 1.737 56.564 54.840 -0.021 0.000 0.752 304 L CB -0.192 41.850 42.059 -0.029 0.000 0.896 304 L HN 0.260 nan 8.230 nan 0.000 0.433 305 L N -1.501 119.713 121.223 -0.015 0.000 2.418 305 L HA -0.039 4.300 4.340 -0.002 0.000 0.218 305 L C 2.408 179.272 176.870 -0.010 0.000 1.125 305 L CA 0.360 55.192 54.840 -0.013 0.000 0.835 305 L CB -0.544 41.509 42.059 -0.011 0.000 0.953 305 L HN 0.380 nan 8.230 nan 0.000 0.454 306 Q N 0.730 120.525 119.800 -0.009 0.000 2.062 306 Q HA -0.119 4.220 4.340 -0.002 0.000 0.196 306 Q C 2.393 178.390 176.000 -0.005 0.000 0.967 306 Q CA 1.337 57.136 55.803 -0.006 0.000 0.832 306 Q CB -0.109 28.625 28.738 -0.006 0.000 0.899 306 Q HN 0.589 nan 8.270 nan 0.000 0.442 307 L N -1.554 119.666 121.223 -0.004 0.000 2.156 307 L HA 0.039 4.378 4.340 -0.002 0.000 0.208 307 L C 2.439 179.308 176.870 -0.003 0.000 1.095 307 L CA 1.437 56.276 54.840 -0.001 0.000 0.770 307 L CB -0.705 41.356 42.059 0.004 0.000 0.914 307 L HN 0.003 nan 8.230 nan 0.000 0.439 308 S N 0.171 115.867 115.700 -0.008 0.000 2.370 308 S HA -0.238 4.232 4.470 -0.002 0.000 0.226 308 S C 1.580 176.176 174.600 -0.007 0.000 1.033 308 S CA 1.349 59.543 58.200 -0.010 0.000 1.011 308 S CB -0.377 62.815 63.200 -0.013 0.000 0.852 308 S HN 0.640 nan 8.310 nan 0.000 0.457 309 Q N 0.554 120.350 119.800 -0.006 0.000 3.170 309 Q HA 0.432 4.771 4.340 -0.002 0.000 0.346 309 Q C 1.120 177.119 176.000 -0.003 0.000 1.333 309 Q CA 0.491 56.291 55.803 -0.004 0.000 0.958 309 Q CB -0.417 28.318 28.738 -0.005 0.000 1.600 309 Q HN 0.615 nan 8.270 nan 0.000 0.482 310 G N -0.390 108.409 108.800 -0.001 0.000 2.542 310 G HA2 -0.398 3.561 3.960 -0.002 0.000 0.251 310 G HA3 -0.398 3.561 3.960 -0.002 0.000 0.251 310 G C 0.673 175.573 174.900 0.001 0.000 1.016 310 G CA 0.780 45.880 45.100 0.000 0.000 0.646 310 G HN 0.429 nan 8.290 nan 0.000 0.553 311 Q N -0.069 119.731 119.800 0.000 0.000 2.870 311 Q HA 0.685 5.024 4.340 -0.002 0.000 0.189 311 Q C 1.112 177.114 176.000 0.003 0.000 1.161 311 Q CA 1.003 56.806 55.803 0.001 0.000 1.248 311 Q CB 0.200 28.937 28.738 -0.001 0.000 1.302 311 Q HN 1.285 nan 8.270 nan 0.000 0.693 312 A N -2.017 120.804 122.820 0.003 0.000 1.667 312 A HA 0.405 4.724 4.320 -0.002 0.000 0.162 312 A C -0.150 177.437 177.584 0.006 0.000 1.513 312 A CA 0.362 52.403 52.037 0.006 0.000 2.805 312 A CB -0.002 19.003 19.000 0.008 0.000 3.047 312 A HN 0.862 nan 8.150 nan 0.000 1.292 313 V N 1.055 120.972 119.914 0.006 0.000 5.505 313 V HA -0.167 3.952 4.120 -0.002 0.000 0.308 313 V C 0.143 176.242 176.094 0.009 0.000 0.390 313 V CA 1.433 63.735 62.300 0.004 0.000 0.721 313 V CB -1.964 29.859 31.823 -0.000 0.000 0.530 313 V HN 1.053 nan 8.190 nan 0.000 1.422 314 K N 1.211 121.619 120.400 0.013 0.000 2.365 314 K HA 0.398 4.717 4.320 -0.002 0.000 0.268 314 K C 0.579 177.191 176.600 0.020 0.000 1.173 314 K CA 0.892 57.192 56.287 0.022 0.000 1.204 314 K CB -0.121 32.391 32.500 0.021 0.000 0.832 314 K HN 1.610 nan 8.250 nan 0.000 0.481 315 G N 1.952 110.769 108.800 0.028 0.000 2.353 315 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.615 315 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.615 315 G C -1.052 173.858 174.900 0.017 0.000 1.280 315 G CA -0.791 44.320 45.100 0.019 0.000 1.000 315 G HN 0.806 nan 8.290 nan 0.000 0.516 316 N N 0.077 118.782 118.700 0.009 0.000 2.024 316 N HA 0.197 4.936 4.740 -0.002 0.000 0.282 316 N C 0.044 175.554 175.510 0.000 0.000 1.234 316 N CA 1.823 54.878 53.050 0.007 0.000 0.817 316 N CB 0.230 38.721 38.487 0.008 0.000 1.051 316 N HN 0.872 nan 8.380 nan 0.000 0.478 317 Q N 2.243 122.037 119.800 -0.010 0.000 2.313 317 Q HA 0.389 4.728 4.340 -0.002 0.000 0.260 317 Q C -1.866 174.103 176.000 -0.052 0.000 0.972 317 Q CA -0.674 55.112 55.803 -0.028 0.000 0.886 317 Q CB 0.754 29.474 28.738 -0.030 0.000 1.373 317 Q HN 0.463 nan 8.270 nan 0.000 0.416 318 L N 5.023 126.211 121.223 -0.058 0.000 2.341 318 L HA 0.571 4.910 4.340 -0.002 0.000 0.278 318 L C -0.627 176.186 176.870 -0.095 0.000 1.005 318 L CA -0.699 54.094 54.840 -0.079 0.000 0.818 318 L CB 1.526 43.549 42.059 -0.060 0.000 1.259 318 L HN 0.680 nan 8.230 nan 0.000 0.418 319 L N 4.549 125.688 121.223 -0.140 0.000 2.352 319 L HA 0.593 4.932 4.340 -0.002 0.000 0.269 319 L C -2.057 174.791 176.870 -0.037 0.000 1.034 319 L CA -1.747 53.020 54.840 -0.122 0.000 0.806 319 L CB 1.898 43.810 42.059 -0.245 0.000 1.244 319 L HN 0.387 nan 8.230 nan 0.000 0.447 320 P HA 0.286 nan 4.420 nan 0.000 0.279 320 P C -0.920 176.400 177.300 0.033 0.000 1.252 320 P CA -0.292 62.809 63.100 0.001 0.000 0.811 320 P CB 2.256 33.944 31.700 -0.019 0.000 1.035 321 V N 0.761 120.664 119.914 -0.017 0.000 3.181 321 V HA 0.669 4.788 4.120 -0.002 0.000 0.314 321 V C 0.311 176.338 176.094 -0.113 0.000 1.173 321 V CA -0.218 62.034 62.300 -0.080 0.000 1.052 321 V CB 2.040 33.800 31.823 -0.104 0.000 1.123 321 V HN 0.985 nan 8.190 nan 0.000 0.454 322 S N 0.617 116.218 115.700 -0.165 0.000 2.643 322 S HA 0.693 5.162 4.470 -0.002 0.000 0.270 322 S C -1.516 172.979 174.600 -0.175 0.000 1.166 322 S CA -0.652 57.462 58.200 -0.143 0.000 0.815 322 S CB 1.707 64.837 63.200 -0.118 0.000 1.139 322 S HN 0.660 nan 8.310 nan 0.000 0.472 323 L N 2.283 123.414 121.223 -0.154 0.000 2.324 323 L HA 0.610 4.949 4.340 -0.002 0.000 0.274 323 L C -0.448 176.323 176.870 -0.165 0.000 1.012 323 L CA -0.647 54.084 54.840 -0.181 0.000 0.859 323 L CB 1.293 43.225 42.059 -0.212 0.000 1.224 323 L HN 0.824 nan 8.230 nan 0.000 0.429 324 V N 3.323 123.147 119.914 -0.150 0.000 2.313 324 V HA 0.315 4.434 4.120 -0.002 0.000 0.252 324 V C 0.368 176.397 176.094 -0.108 0.000 1.112 324 V CA -0.584 61.646 62.300 -0.116 0.000 0.984 324 V CB 0.339 32.102 31.823 -0.101 0.000 1.157 324 V HN 0.823 nan 8.190 nan 0.000 0.493 325 K N 5.905 126.238 120.400 -0.111 0.000 2.401 325 K HA 0.398 4.717 4.320 -0.002 0.000 0.278 325 K C 0.162 176.742 176.600 -0.034 0.000 1.018 325 K CA -0.135 56.101 56.287 -0.086 0.000 0.981 325 K CB 0.606 33.060 32.500 -0.075 0.000 0.933 325 K HN 0.925 nan 8.250 nan 0.000 0.477 326 R N 2.759 123.256 120.500 -0.004 0.000 3.057 326 R HA 0.192 4.531 4.340 -0.002 0.000 0.108 326 R C 0.030 176.351 176.300 0.034 0.000 0.620 326 R CA -0.787 55.319 56.100 0.009 0.000 0.400 326 R CB 0.010 30.309 30.300 -0.001 0.000 0.615 326 R HN 0.281 nan 8.270 nan 0.000 0.330 327 K N 0.907 121.330 120.400 0.037 0.000 2.399 327 K HA 0.130 4.449 4.320 -0.002 0.000 0.204 327 K C 0.496 177.130 176.600 0.057 0.000 1.023 327 K CA 0.306 56.622 56.287 0.047 0.000 1.127 327 K CB 0.820 33.344 32.500 0.040 0.000 0.856 327 K HN 0.537 nan 8.250 nan 0.000 0.514 328 T N -2.264 112.328 114.554 0.064 0.000 3.163 328 T HA 0.056 4.405 4.350 -0.002 0.000 0.252 328 T C 0.456 175.194 174.700 0.064 0.000 1.056 328 T CA -0.377 61.761 62.100 0.062 0.000 0.947 328 T CB -0.303 68.605 68.868 0.066 0.000 1.016 328 T HN 0.090 nan 8.240 nan 0.000 0.554 329 T N 0.552 115.160 114.554 0.089 0.000 2.890 329 T HA 0.752 5.101 4.350 -0.002 0.000 0.295 329 T C -0.634 174.126 174.700 0.100 0.000 0.993 329 T CA -0.882 61.281 62.100 0.104 0.000 0.979 329 T CB 1.452 70.442 68.868 0.204 0.000 0.967 329 T HN 0.230 nan 8.240 nan 0.000 0.441 330 L N 1.439 122.726 121.223 0.107 0.000 2.250 330 L HA 0.878 5.217 4.340 -0.002 0.000 0.252 330 L C 0.396 177.327 176.870 0.102 0.000 1.054 330 L CA -1.916 52.975 54.840 0.084 0.000 0.856 330 L CB 1.641 43.737 42.059 0.062 0.000 1.443 330 L HN 0.834 nan 8.230 nan 0.000 0.427 331 A N 1.417 124.241 122.820 0.007 0.000 2.440 331 A HA 0.437 4.756 4.320 -0.002 0.000 0.251 331 A C -2.246 175.285 177.584 -0.088 0.000 1.089 331 A CA -1.058 50.922 52.037 -0.096 0.000 0.779 331 A CB -0.627 18.324 19.000 -0.081 0.000 1.022 331 A HN 0.392 nan 8.150 nan 0.000 0.492 332 P HA 0.007 nan 4.420 nan 0.000 0.256 332 P C -0.225 177.055 177.300 -0.033 0.000 1.173 332 P CA 0.871 63.919 63.100 -0.087 0.000 0.768 332 P CB -0.387 31.181 31.700 -0.219 0.000 0.758 333 N N 0.654 119.364 118.700 0.017 0.000 4.534 333 N HA -0.142 4.597 4.740 -0.002 0.000 0.350 333 N C -0.762 174.750 175.510 0.004 0.000 2.071 333 N CA 0.341 53.395 53.050 0.008 0.000 2.805 333 N CB -1.409 37.076 38.487 -0.004 0.000 0.395 333 N HN 0.351 nan 8.380 nan 0.000 0.675 334 T N 0.825 115.383 114.554 0.007 0.000 3.170 334 T HA 0.158 4.507 4.350 -0.002 0.000 0.288 334 T C 0.798 175.499 174.700 0.002 0.000 0.992 334 T CA 1.020 63.123 62.100 0.005 0.000 0.909 334 T CB -0.404 68.470 68.868 0.009 0.000 1.133 334 T HN 0.669 nan 8.240 nan 0.000 0.530 335 Q N 0.034 119.834 119.800 0.001 0.000 3.303 335 Q HA -0.201 4.138 4.340 -0.002 0.000 0.206 335 Q C -0.325 175.675 176.000 0.001 0.000 2.771 335 Q CA 2.178 57.981 55.803 -0.001 0.000 0.261 335 Q CB -1.666 27.070 28.738 -0.002 0.000 0.203 335 Q HN 0.495 nan 8.270 nan 0.000 0.468 336 T N -0.331 114.224 114.554 0.002 0.000 2.963 336 T HA 0.714 5.063 4.350 -0.002 0.000 0.328 336 T C -0.056 174.646 174.700 0.003 0.000 1.048 336 T CA 0.506 62.607 62.100 0.002 0.000 1.033 336 T CB 1.121 69.989 68.868 0.001 0.000 1.010 336 T HN 0.439 nan 8.240 nan 0.000 0.469 337 A N 3.141 125.963 122.820 0.004 0.000 2.275 337 A HA 0.437 4.756 4.320 -0.002 0.000 0.212 337 A C 0.817 178.403 177.584 0.003 0.000 1.201 337 A CA -0.112 51.928 52.037 0.005 0.000 0.843 337 A CB 0.319 19.322 19.000 0.005 0.000 0.873 337 A HN 0.624 nan 8.150 nan 0.000 0.492 338 S N 1.153 116.854 115.700 0.002 0.000 2.293 338 S HA 0.503 4.972 4.470 -0.002 0.000 0.154 338 S C -2.830 171.770 174.600 0.001 0.000 1.602 338 S CA -0.908 57.293 58.200 0.001 0.000 1.260 338 S CB 1.389 64.589 63.200 -0.001 0.000 1.270 338 S HN 0.416 nan 8.310 nan 0.000 0.416 339 P HA 0.546 nan 4.420 nan 0.000 0.350 339 P C 0.845 178.146 177.300 0.001 0.000 1.140 339 P CA -0.841 62.260 63.100 0.001 0.000 0.792 339 P CB 1.161 32.862 31.700 0.001 0.000 1.412 340 R N 0.002 120.503 120.500 0.001 0.000 2.097 340 R HA -0.178 4.161 4.340 -0.002 0.000 0.236 340 R C 2.034 178.335 176.300 0.001 0.000 1.135 340 R CA 2.568 58.668 56.100 0.001 0.000 0.934 340 R CB -1.397 28.903 30.300 0.001 0.000 0.846 340 R HN 0.411 nan 8.270 nan 0.000 0.431 341 A N 1.601 124.422 122.820 0.002 0.000 1.929 341 A HA -0.264 4.055 4.320 -0.002 0.000 0.221 341 A C 2.242 179.828 177.584 0.002 0.000 1.211 341 A CA 2.208 54.247 52.037 0.002 0.000 0.657 341 A CB -1.067 17.935 19.000 0.003 0.000 0.827 341 A HN 0.491 nan 8.150 nan 0.000 0.462 342 L N -1.701 119.524 121.223 0.002 0.000 2.198 342 L HA -0.363 3.976 4.340 -0.002 0.000 0.218 342 L C 2.885 179.757 176.870 0.002 0.000 1.084 342 L CA 1.647 56.489 54.840 0.002 0.000 0.779 342 L CB -0.781 41.279 42.059 0.002 0.000 0.890 342 L HN 0.555 nan 8.230 nan 0.000 0.439 343 A N -0.223 122.598 122.820 0.002 0.000 1.911 343 A HA -0.108 4.211 4.320 -0.002 0.000 0.212 343 A C 1.779 179.364 177.584 0.002 0.000 1.189 343 A CA 1.237 53.275 52.037 0.002 0.000 0.639 343 A CB -0.347 18.654 19.000 0.001 0.000 0.839 343 A HN 0.392 nan 8.150 nan 0.000 0.449 344 D N 0.241 120.642 120.400 0.002 0.000 2.144 344 D HA -0.085 4.554 4.640 -0.002 0.000 0.199 344 D C 2.072 178.373 176.300 0.003 0.000 0.984 344 D CA 1.583 55.585 54.000 0.002 0.000 0.834 344 D CB -0.058 40.744 40.800 0.002 0.000 0.955 344 D HN 0.400 nan 8.370 nan 0.000 0.465 345 S N 0.086 115.787 115.700 0.003 0.000 2.395 345 S HA 0.017 4.486 4.470 -0.002 0.000 0.225 345 S C 1.957 176.559 174.600 0.003 0.000 1.027 345 S CA 0.301 58.503 58.200 0.003 0.000 0.965 345 S CB -0.165 63.037 63.200 0.004 0.000 0.812 345 S HN 0.193 nan 8.310 nan 0.000 0.482 346 L N 0.428 121.653 121.223 0.003 0.000 2.275 346 L HA -0.046 4.293 4.340 -0.002 0.000 0.215 346 L C 2.355 179.226 176.870 0.003 0.000 1.119 346 L CA 0.823 55.665 54.840 0.003 0.000 0.790 346 L CB -0.380 41.680 42.059 0.002 0.000 0.919 346 L HN 0.320 nan 8.230 nan 0.000 0.443 347 M N -0.663 118.938 119.600 0.002 0.000 2.074 347 M HA -0.228 4.251 4.480 -0.002 0.000 0.258 347 M C 2.400 178.701 176.300 0.003 0.000 1.083 347 M CA 1.896 57.197 55.300 0.002 0.000 1.128 347 M CB -0.354 32.247 32.600 0.002 0.000 1.301 347 M HN 0.225 nan 8.290 nan 0.000 0.417 348 Q N -0.133 119.669 119.800 0.003 0.000 2.248 348 Q HA -0.228 4.111 4.340 -0.002 0.000 0.208 348 Q C 1.810 177.812 176.000 0.003 0.000 0.984 348 Q CA 1.369 57.174 55.803 0.003 0.000 0.875 348 Q CB -0.595 28.145 28.738 0.003 0.000 0.910 348 Q HN 0.369 nan 8.270 nan 0.000 0.433 349 L N 1.182 122.407 121.223 0.003 0.000 2.023 349 L HA 0.068 4.407 4.340 -0.002 0.000 0.205 349 L C 2.511 179.383 176.870 0.003 0.000 1.073 349 L CA 2.052 56.894 54.840 0.004 0.000 0.745 349 L CB -1.243 40.818 42.059 0.004 0.000 0.900 349 L HN 0.299 nan 8.230 nan 0.000 0.435 350 A N -0.892 121.930 122.820 0.003 0.000 2.024 350 A HA -0.189 4.130 4.320 -0.002 0.000 0.220 350 A C 2.272 179.857 177.584 0.002 0.000 1.164 350 A CA 1.363 53.402 52.037 0.003 0.000 0.643 350 A CB -0.400 18.601 19.000 0.002 0.000 0.806 350 A HN 0.369 nan 8.150 nan 0.000 0.451 351 R N -1.025 119.476 120.500 0.003 0.000 2.112 351 R HA 0.030 4.369 4.340 -0.002 0.000 0.216 351 R C 2.154 178.456 176.300 0.003 0.000 1.080 351 R CA 1.118 57.220 56.100 0.002 0.000 0.996 351 R CB -0.710 29.592 30.300 0.002 0.000 0.902 351 R HN 0.776 nan 8.270 nan 0.000 0.449 352 Q N 0.682 120.484 119.800 0.003 0.000 2.224 352 Q HA -0.058 4.281 4.340 -0.002 0.000 0.203 352 Q C 1.757 177.759 176.000 0.003 0.000 0.970 352 Q CA 0.910 56.715 55.803 0.003 0.000 0.865 352 Q CB 0.311 29.051 28.738 0.003 0.000 0.922 352 Q HN 0.041 nan 8.270 nan 0.000 0.445 353 V N -0.156 119.760 119.914 0.003 0.000 2.227 353 V HA -0.268 3.851 4.120 -0.002 0.000 0.238 353 V C 2.021 178.117 176.094 0.002 0.000 1.039 353 V CA 1.798 64.100 62.300 0.003 0.000 0.990 353 V CB -0.893 30.932 31.823 0.003 0.000 0.635 353 V HN 0.356 nan 8.190 nan 0.000 0.453 354 S N -0.417 115.285 115.700 0.002 0.000 2.570 354 S HA -0.401 4.069 4.470 -0.002 0.000 0.300 354 S C 2.017 176.618 174.600 0.002 0.000 1.224 354 S CA 2.502 60.703 58.200 0.002 0.000 1.103 354 S CB -0.507 62.694 63.200 0.002 0.000 1.009 354 S HN 0.427 nan 8.310 nan 0.000 0.458 355 R N 1.399 121.900 120.500 0.002 0.000 2.240 355 R HA 0.122 4.461 4.340 -0.002 0.000 0.203 355 R C 1.429 177.730 176.300 0.002 0.000 1.011 355 R CA 0.413 56.514 56.100 0.002 0.000 1.007 355 R CB -0.324 29.977 30.300 0.002 0.000 0.911 355 R HN 0.482 nan 8.270 nan 0.000 0.468 356 L N -0.370 120.854 121.223 0.002 0.000 2.682 356 L HA 0.311 4.650 4.340 -0.002 0.000 0.240 356 L C -0.923 175.948 176.870 0.002 0.000 1.178 356 L CA 0.341 55.182 54.840 0.002 0.000 0.970 356 L CB -1.359 40.702 42.059 0.002 0.000 1.179 356 L HN -0.092 nan 8.230 nan 0.000 0.435 357 E N 0.000 120.201 120.200 0.002 0.000 2.725 357 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 357 E CA 0.000 56.401 56.400 0.002 0.000 0.976 357 E CB 0.000 29.701 29.700 0.002 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440