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 3c4n_1_B DATA FIRST_RESID 34 DATA SEQUENCE EEAFDIVVIG AGRXGAACAF YLRQLAPGRS LLLVEEGGLP NEEGATILAP DATA SEQUENCE GVWTAQDIPA GQEAQAEWTR EQLLGALGSG KTLEVEDRPL LHLLPAGEGS DATA SEQUENCE GLTPTLDALA DFPEALALLD PARLPVARVD PRALTYRPGS LALLAAQQAI DATA SEQUENCE GQGAGLLLNT RAELVPGGVR LHRLTXXXXX XXVVHETRQI RAGVIIVAAG DATA SEQUENCE AAGPALVEQG LGLHTRHGRA YRQFPRLDLL SGAQTPVLRA SGLTLRPQNG DATA SEQUENCE GYTLVPAIHH RDPHGYHPAG GSLTGVPTGL RRELLEDLVG LXDAVPALAG DATA SEQUENCE EGLELGRSSA DVPGAWLALP GGRPDAPPQA EELAPGLHLL LGGPLADTLG DATA SEQUENCE LAAAHELAQR VSASLE 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 34 E HA 0.000 nan 4.350 nan 0.000 0.291 34 E C 0.000 176.588 176.600 -0.020 0.000 1.382 34 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 34 E CB 0.000 29.700 29.700 0.000 0.000 0.812 35 E N 0.256 120.447 120.200 -0.015 0.000 2.398 35 E HA 0.485 4.835 4.350 -0.000 0.000 0.263 35 E C -1.149 175.410 176.600 -0.068 0.000 1.046 35 E CA 0.326 56.686 56.400 -0.067 0.000 0.908 35 E CB 0.751 30.431 29.700 -0.033 0.000 0.963 35 E HN 0.448 nan 8.360 nan 0.000 0.431 36 A N 3.197 125.875 122.820 -0.237 0.000 2.498 36 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 36 A C -1.678 175.628 177.584 -0.464 0.000 1.075 36 A CA -0.685 51.257 52.037 -0.159 0.000 0.714 36 A CB 0.872 19.828 19.000 -0.072 0.000 1.299 36 A HN 0.503 nan 8.150 nan 0.000 0.407 37 F N 0.021 119.974 119.950 0.005 0.000 2.588 37 F HA 0.406 4.933 4.527 -0.000 0.000 0.314 37 F C 0.684 176.489 175.800 0.010 0.000 1.069 37 F CA -0.633 57.371 58.000 0.007 0.000 0.931 37 F CB 1.945 40.951 39.000 0.010 0.000 1.260 37 F HN 0.598 nan 8.300 nan 0.000 0.465 38 D N 1.002 121.508 120.400 0.176 0.000 2.149 38 D HA 0.073 4.713 4.640 -0.000 0.000 0.201 38 D C 0.316 176.686 176.300 0.116 0.000 0.972 38 D CA 1.770 55.834 54.000 0.107 0.000 0.835 38 D CB 0.431 41.274 40.800 0.071 0.000 0.966 38 D HN 0.225 nan 8.370 nan 0.000 0.476 39 I N 0.517 121.171 120.570 0.140 0.000 2.569 39 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 39 I C -0.995 175.162 176.117 0.067 0.000 1.088 39 I CA -0.753 60.603 61.300 0.093 0.000 1.047 39 I CB 3.209 41.247 38.000 0.064 0.000 1.237 39 I HN -0.412 nan 8.210 nan 0.000 0.421 40 V N 6.664 126.601 119.914 0.039 0.000 2.444 40 V HA 0.412 4.532 4.120 -0.000 0.000 0.294 40 V C -0.305 175.785 176.094 -0.006 0.000 1.022 40 V CA -0.681 61.604 62.300 -0.025 0.000 0.850 40 V CB 2.229 34.033 31.823 -0.032 0.000 0.992 40 V HN 0.398 nan 8.190 nan 0.000 0.426 41 V N 6.617 126.517 119.914 -0.024 0.000 2.370 41 V HA 0.485 4.605 4.120 -0.000 0.000 0.283 41 V C -0.077 176.011 176.094 -0.009 0.000 1.023 41 V CA -0.386 61.914 62.300 0.000 0.000 0.857 41 V CB 1.631 33.460 31.823 0.009 0.000 0.985 41 V HN 0.673 nan 8.190 nan 0.000 0.443 42 I N 4.654 125.228 120.570 0.007 0.000 2.304 42 I HA 0.707 4.877 4.170 -0.000 0.000 0.291 42 I C 0.717 176.843 176.117 0.016 0.000 1.018 42 I CA -0.035 61.269 61.300 0.007 0.000 1.260 42 I CB 1.225 39.234 38.000 0.015 0.000 1.390 42 I HN 0.857 nan 8.210 nan 0.000 0.475 43 G N 4.450 113.257 108.800 0.012 0.000 3.438 43 G HA2 0.124 4.084 3.960 -0.000 0.000 0.684 43 G HA3 0.124 4.084 3.960 -0.000 0.000 0.684 43 G C -0.303 174.609 174.900 0.019 0.000 1.192 43 G CA -0.342 44.770 45.100 0.019 0.000 1.013 43 G HN 0.901 nan 8.290 nan 0.000 0.530 44 A N 1.678 124.507 122.820 0.016 0.000 2.708 44 A HA 0.769 5.088 4.320 -0.000 0.000 0.293 44 A C 1.451 179.045 177.584 0.016 0.000 1.303 44 A CA 1.147 53.192 52.037 0.013 0.000 0.949 44 A CB -0.154 18.849 19.000 0.004 0.000 1.121 44 A HN 2.043 nan 8.150 nan 0.000 0.542 45 G N 0.205 109.021 108.800 0.026 0.000 2.508 45 G HA2 0.394 4.354 3.960 -0.000 0.000 0.278 45 G HA3 0.394 4.354 3.960 -0.000 0.000 0.278 45 G C 0.555 175.477 174.900 0.036 0.000 1.389 45 G CA -0.533 44.584 45.100 0.028 0.000 1.050 45 G HN 0.818 nan 8.290 nan 0.000 0.522 49 A N 1.318 124.165 122.820 0.045 0.000 1.902 49 A HA 0.429 4.749 4.320 -0.000 0.000 0.217 49 A C 2.692 180.299 177.584 0.038 0.000 1.181 49 A CA 2.670 54.725 52.037 0.030 0.000 0.623 49 A CB -0.733 18.269 19.000 0.003 0.000 0.818 49 A HN 1.311 nan 8.150 nan 0.000 0.443 50 A N -1.319 121.533 122.820 0.054 0.000 1.898 50 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 50 A C 2.368 180.013 177.584 0.101 0.000 1.181 50 A CA 1.537 53.596 52.037 0.037 0.000 0.620 50 A CB -1.357 17.740 19.000 0.162 0.000 0.819 50 A HN 0.680 nan 8.150 nan 0.000 0.442 51 C N -0.706 118.710 119.300 0.192 0.000 2.429 51 C HA 0.054 4.514 4.460 -0.000 0.000 0.277 51 C C 3.208 178.284 174.990 0.144 0.000 1.262 51 C CA 1.218 60.368 59.018 0.221 0.000 1.733 51 C CB -1.272 26.550 27.740 0.137 0.000 2.010 51 C HN 0.664 nan 8.230 nan 0.000 0.483 52 A N -0.742 122.136 122.820 0.097 0.000 1.933 52 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 52 A C 1.957 179.592 177.584 0.084 0.000 1.175 52 A CA 1.758 53.839 52.037 0.073 0.000 0.628 52 A CB -0.933 18.101 19.000 0.057 0.000 0.814 52 A HN 0.676 nan 8.150 nan 0.000 0.444 53 F N -0.321 119.577 119.950 -0.088 0.000 2.084 53 F HA -0.155 4.372 4.527 -0.000 0.000 0.296 53 F C 2.054 177.808 175.800 -0.075 0.000 1.111 53 F CA 1.511 59.423 58.000 -0.146 0.000 1.224 53 F CB -0.654 38.162 39.000 -0.306 0.000 0.991 53 F HN 0.285 nan 8.300 nan 0.000 0.471 54 Y N 0.490 120.735 120.300 -0.091 0.000 2.274 54 Y HA -0.159 4.391 4.550 -0.000 0.000 0.290 54 Y C 2.422 178.239 175.900 -0.139 0.000 1.145 54 Y CA 1.302 59.312 58.100 -0.150 0.000 1.203 54 Y CB -1.091 37.447 38.460 0.130 0.000 0.984 54 Y HN 0.115 nan 8.280 nan 0.000 0.533 55 L N -0.803 120.455 121.223 0.058 0.000 2.141 55 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 55 L C 2.391 179.245 176.870 -0.027 0.000 1.094 55 L CA 0.828 55.675 54.840 0.011 0.000 0.763 55 L CB -0.277 41.794 42.059 0.019 0.000 0.908 55 L HN 0.060 nan 8.230 nan 0.000 0.437 56 R N 0.014 120.477 120.500 -0.061 0.000 2.148 56 R HA -0.102 4.238 4.340 -0.000 0.000 0.227 56 R C 2.007 178.253 176.300 -0.092 0.000 1.103 56 R CA 1.033 57.097 56.100 -0.059 0.000 0.983 56 R CB -0.391 29.885 30.300 -0.040 0.000 0.874 56 R HN 0.554 nan 8.270 nan 0.000 0.451 57 Q N -0.359 119.340 119.800 -0.167 0.000 2.339 57 Q HA 0.141 4.481 4.340 -0.000 0.000 0.205 57 Q C 2.088 178.058 176.000 -0.051 0.000 0.925 57 Q CA 0.426 56.150 55.803 -0.132 0.000 0.898 57 Q CB 0.281 28.881 28.738 -0.229 0.000 1.013 57 Q HN 0.232 nan 8.270 nan 0.000 0.504 58 L N -0.428 120.775 121.223 -0.033 0.000 2.162 58 L HA 0.089 4.428 4.340 -0.000 0.000 0.205 58 L C 0.979 177.837 176.870 -0.020 0.000 1.086 58 L CA 0.487 55.317 54.840 -0.017 0.000 0.778 58 L CB 0.256 42.299 42.059 -0.027 0.000 0.928 58 L HN -0.017 nan 8.230 nan 0.000 0.446 59 A N -0.627 122.182 122.820 -0.019 0.000 3.297 59 A HA 0.363 4.683 4.320 -0.000 0.000 0.304 59 A C -1.785 175.797 177.584 -0.003 0.000 0.963 59 A CA -0.793 51.238 52.037 -0.010 0.000 0.935 59 A CB -0.138 18.858 19.000 -0.008 0.000 1.093 59 A HN -0.036 nan 8.150 nan 0.000 0.480 60 P HA -0.133 nan 4.420 nan 0.000 0.221 60 P C 1.317 178.623 177.300 0.010 0.000 1.145 60 P CA 1.836 64.937 63.100 0.001 0.000 0.795 60 P CB 0.106 31.805 31.700 -0.002 0.000 0.775 61 G N -0.558 108.247 108.800 0.008 0.000 2.985 61 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.209 61 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.209 61 G C 0.768 175.677 174.900 0.015 0.000 1.165 61 G CA -0.143 44.963 45.100 0.010 0.000 0.776 61 G HN 0.127 nan 8.290 nan 0.000 0.541 62 R N 1.525 122.038 120.500 0.021 0.000 2.246 62 R HA 0.266 4.606 4.340 -0.000 0.000 0.332 62 R C 0.149 176.483 176.300 0.056 0.000 0.974 62 R CA -0.363 55.756 56.100 0.032 0.000 0.837 62 R CB 1.055 31.372 30.300 0.028 0.000 1.145 62 R HN 0.254 nan 8.270 nan 0.000 0.467 63 S N 3.034 118.778 115.700 0.073 0.000 2.558 63 S HA 0.153 4.623 4.470 -0.000 0.000 0.291 63 S C 0.401 175.110 174.600 0.182 0.000 1.306 63 S CA -0.494 57.787 58.200 0.134 0.000 1.056 63 S CB 0.833 64.115 63.200 0.136 0.000 0.836 63 S HN 0.597 nan 8.310 nan 0.000 0.504 64 L N 3.407 124.736 121.223 0.176 0.000 2.431 64 L HA 0.661 5.001 4.340 -0.000 0.000 0.266 64 L C -1.387 175.488 176.870 0.008 0.000 0.978 64 L CA -0.899 54.000 54.840 0.099 0.000 0.822 64 L CB 1.675 43.765 42.059 0.051 0.000 1.310 64 L HN 0.839 nan 8.230 nan 0.000 0.409 65 L N 5.826 126.943 121.223 -0.176 0.000 2.333 65 L HA 0.482 4.822 4.340 -0.000 0.000 0.280 65 L C -1.328 175.415 176.870 -0.212 0.000 1.004 65 L CA -0.654 53.955 54.840 -0.384 0.000 0.820 65 L CB 1.758 43.203 42.059 -1.023 0.000 1.247 65 L HN 0.668 nan 8.230 nan 0.000 0.416 66 L N 5.945 127.085 121.223 -0.138 0.000 2.272 66 L HA 0.495 4.835 4.340 -0.000 0.000 0.289 66 L C -0.925 175.897 176.870 -0.080 0.000 1.032 66 L CA -0.523 54.270 54.840 -0.077 0.000 0.810 66 L CB 1.768 43.806 42.059 -0.035 0.000 1.205 66 L HN 0.365 nan 8.230 nan 0.000 0.422 67 V N 3.817 123.693 119.914 -0.063 0.000 2.448 67 V HA 0.464 4.584 4.120 -0.000 0.000 0.295 67 V C -0.486 175.597 176.094 -0.018 0.000 1.025 67 V CA -0.651 61.621 62.300 -0.047 0.000 0.859 67 V CB 1.818 33.611 31.823 -0.050 0.000 0.988 67 V HN 0.723 nan 8.190 nan 0.000 0.431 68 E N 2.788 122.981 120.200 -0.011 0.000 2.275 68 E HA 0.367 4.717 4.350 -0.000 0.000 0.270 68 E C 0.565 177.169 176.600 0.007 0.000 0.882 68 E CA -0.507 55.893 56.400 0.001 0.000 0.758 68 E CB 1.962 31.662 29.700 -0.000 0.000 1.195 68 E HN 0.773 nan 8.360 nan 0.000 0.419 69 E N 2.469 122.677 120.200 0.012 0.000 2.371 69 E HA 0.149 4.499 4.350 -0.000 0.000 0.194 69 E C 0.790 177.398 176.600 0.014 0.000 1.012 69 E CA 0.389 56.798 56.400 0.016 0.000 0.860 69 E CB 0.363 30.073 29.700 0.016 0.000 0.811 69 E HN 0.407 nan 8.360 nan 0.000 0.502 70 G N 0.599 109.407 108.800 0.012 0.000 2.782 70 G HA2 0.523 4.483 3.960 -0.000 0.000 0.201 70 G HA3 0.523 4.483 3.960 -0.000 0.000 0.201 70 G C 0.018 174.923 174.900 0.008 0.000 1.374 70 G CA -0.311 44.795 45.100 0.011 0.000 1.039 70 G HN 0.231 nan 8.290 nan 0.000 0.576 71 G N -1.819 106.984 108.800 0.005 0.000 2.753 71 G HA2 0.516 4.476 3.960 -0.000 0.000 0.285 71 G HA3 0.516 4.476 3.960 -0.000 0.000 0.285 71 G C -1.577 173.323 174.900 -0.001 0.000 1.344 71 G CA -0.555 44.547 45.100 0.002 0.000 1.050 71 G HN 0.702 nan 8.290 nan 0.000 0.532 72 L N 1.202 122.423 121.223 -0.004 0.000 2.377 72 L HA 0.533 4.873 4.340 -0.000 0.000 0.270 72 L C -2.025 174.838 176.870 -0.011 0.000 0.991 72 L CA -1.255 53.581 54.840 -0.008 0.000 0.851 72 L CB 1.205 43.259 42.059 -0.009 0.000 1.218 72 L HN 0.324 nan 8.230 nan 0.000 0.420 73 P HA 0.324 nan 4.420 nan 0.000 0.275 73 P C -1.283 176.012 177.300 -0.008 0.000 1.270 73 P CA -0.395 62.697 63.100 -0.013 0.000 0.791 73 P CB 0.435 32.123 31.700 -0.019 0.000 1.089 74 N N 0.764 119.460 118.700 -0.006 0.000 2.569 74 N HA 0.029 4.769 4.740 -0.000 0.000 0.254 74 N C 0.432 175.939 175.510 -0.004 0.000 1.004 74 N CA -0.355 52.695 53.050 -0.000 0.000 0.904 74 N CB 0.532 39.023 38.487 0.008 0.000 1.165 74 N HN 0.332 nan 8.380 nan 0.000 0.513 75 E N 2.522 122.718 120.200 -0.007 0.000 2.485 75 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 75 E C -0.493 176.107 176.600 0.000 0.000 1.098 75 E CA 0.704 57.096 56.400 -0.014 0.000 0.878 75 E CB 0.004 29.694 29.700 -0.017 0.000 0.939 75 E HN 0.689 nan 8.360 nan 0.000 0.503 76 E N 0.262 120.472 120.200 0.016 0.000 2.501 76 E HA 0.241 4.591 4.350 -0.000 0.000 0.200 76 E C 0.422 177.057 176.600 0.059 0.000 1.016 76 E CA -0.019 56.405 56.400 0.040 0.000 0.921 76 E CB 0.920 30.644 29.700 0.040 0.000 1.034 76 E HN 0.314 nan 8.360 nan 0.000 0.468 77 G N -0.141 108.682 108.800 0.037 0.000 2.601 77 G HA2 0.449 4.409 3.960 -0.000 0.000 0.317 77 G HA3 0.449 4.409 3.960 -0.000 0.000 0.317 77 G C 0.620 175.541 174.900 0.035 0.000 1.246 77 G CA -0.091 45.040 45.100 0.050 0.000 1.012 77 G HN 0.117 nan 8.290 nan 0.000 0.494 78 A N -0.855 121.998 122.820 0.054 0.000 1.930 78 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 78 A C 2.397 179.957 177.584 -0.039 0.000 1.176 78 A CA 2.283 54.340 52.037 0.034 0.000 0.632 78 A CB -0.939 18.117 19.000 0.092 0.000 0.819 78 A HN 0.565 nan 8.150 nan 0.000 0.445 79 T N 0.387 114.933 114.554 -0.014 0.000 2.699 79 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 79 T C 1.773 176.424 174.700 -0.081 0.000 1.036 79 T CA 1.811 63.894 62.100 -0.028 0.000 1.147 79 T CB -0.375 68.496 68.868 0.004 0.000 0.862 79 T HN 0.404 nan 8.240 nan 0.000 0.446 80 I N 0.602 121.117 120.570 -0.091 0.000 2.315 80 I HA -0.016 4.154 4.170 -0.000 0.000 0.248 80 I C 1.755 177.740 176.117 -0.219 0.000 1.117 80 I CA 1.377 62.605 61.300 -0.120 0.000 1.404 80 I CB -0.198 37.750 38.000 -0.087 0.000 1.071 80 I HN 0.225 nan 8.210 nan 0.000 0.419 81 L N 0.347 121.366 121.223 -0.341 0.000 2.529 81 L HA 0.274 4.614 4.340 -0.000 0.000 0.223 81 L C 1.311 177.681 176.870 -0.833 0.000 1.113 81 L CA 0.054 54.488 54.840 -0.678 0.000 0.861 81 L CB -0.778 40.671 42.059 -1.018 0.000 1.012 81 L HN 0.160 nan 8.230 nan 0.000 0.461 82 A N 1.706 124.246 122.820 -0.467 0.000 2.540 82 A HA 0.096 4.416 4.320 -0.000 0.000 0.239 82 A C -1.151 176.273 177.584 -0.266 0.000 1.061 82 A CA -0.740 51.127 52.037 -0.283 0.000 0.758 82 A CB -0.248 18.671 19.000 -0.136 0.000 0.991 82 A HN 0.049 nan 8.150 nan 0.000 0.502 83 P HA -0.033 nan 4.420 nan 0.000 0.226 83 P C 0.896 178.038 177.300 -0.264 0.000 1.153 83 P CA 1.174 64.179 63.100 -0.158 0.000 0.777 83 P CB -0.156 31.515 31.700 -0.048 0.000 0.794 84 G N 0.083 108.662 108.800 -0.369 0.000 2.333 84 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.296 84 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.296 84 G C -0.136 174.417 174.900 -0.578 0.000 1.059 84 G CA -0.191 44.416 45.100 -0.820 0.000 1.050 84 G HN 0.332 nan 8.290 nan 0.000 0.508 85 V N 0.455 120.245 119.914 -0.205 0.000 2.347 85 V HA 0.571 4.691 4.120 -0.000 0.000 0.280 85 V C 0.115 176.292 176.094 0.138 0.000 1.021 85 V CA -0.841 61.452 62.300 -0.011 0.000 0.847 85 V CB 1.417 33.226 31.823 -0.024 0.000 0.990 85 V HN 0.463 nan 8.190 nan 0.000 0.444 86 W N 5.005 126.377 121.300 0.120 0.000 2.316 86 W HA 0.615 5.275 4.660 -0.000 0.000 0.308 86 W C 0.138 176.702 176.519 0.075 0.000 1.106 86 W CA 0.032 57.460 57.345 0.138 0.000 1.262 86 W CB 1.339 30.905 29.460 0.176 0.000 1.233 86 W HN 0.578 nan 8.180 nan 0.000 0.447 87 T N 4.014 118.352 114.554 -0.359 0.000 2.952 87 T HA 0.446 4.796 4.350 -0.000 0.000 0.305 87 T C 0.708 175.062 174.700 -0.577 0.000 1.064 87 T CA 0.023 61.968 62.100 -0.257 0.000 1.008 87 T CB 1.434 70.246 68.868 -0.094 0.000 1.078 87 T HN 0.555 nan 8.240 nan 0.000 0.459 88 A N 3.012 125.630 122.820 -0.337 0.000 2.178 88 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 88 A C 1.811 179.298 177.584 -0.162 0.000 1.157 88 A CA 1.289 53.177 52.037 -0.249 0.000 0.689 88 A CB -0.428 18.583 19.000 0.019 0.000 0.787 88 A HN 0.892 nan 8.150 nan 0.000 0.465 89 Q N -0.784 118.937 119.800 -0.132 0.000 2.425 89 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 89 Q C 0.035 175.974 176.000 -0.101 0.000 0.933 89 Q CA 0.474 56.235 55.803 -0.070 0.000 0.939 89 Q CB 0.235 28.965 28.738 -0.014 0.000 1.044 89 Q HN 0.467 nan 8.270 nan 0.000 0.513 90 D N 0.094 120.384 120.400 -0.184 0.000 2.424 90 D HA 0.168 4.808 4.640 -0.000 0.000 0.220 90 D C -0.405 175.796 176.300 -0.164 0.000 1.150 90 D CA 0.108 54.008 54.000 -0.167 0.000 0.831 90 D CB 0.489 41.171 40.800 -0.196 0.000 0.981 90 D HN 0.171 nan 8.370 nan 0.000 0.500 91 I N 2.082 122.559 120.570 -0.154 0.000 2.297 91 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 91 I C -1.994 174.095 176.117 -0.047 0.000 1.033 91 I CA -1.742 59.495 61.300 -0.105 0.000 1.253 91 I CB 1.114 39.056 38.000 -0.097 0.000 1.396 91 I HN -0.336 nan 8.210 nan 0.000 0.476 92 P HA 0.165 nan 4.420 nan 0.000 0.272 92 P C -0.431 176.870 177.300 0.002 0.000 1.240 92 P CA -0.479 62.616 63.100 -0.008 0.000 0.791 92 P CB 0.612 32.312 31.700 -0.001 0.000 0.978 93 A N 1.196 124.021 122.820 0.008 0.000 2.492 93 A HA 0.443 4.763 4.320 -0.000 0.000 0.254 93 A C 1.356 178.949 177.584 0.017 0.000 1.091 93 A CA 0.762 52.807 52.037 0.013 0.000 0.768 93 A CB -1.440 17.568 19.000 0.013 0.000 1.028 93 A HN 0.851 nan 8.150 nan 0.000 0.498 94 G N 1.321 110.133 108.800 0.021 0.000 2.195 94 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.224 94 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.224 94 G C 0.516 175.432 174.900 0.028 0.000 0.990 94 G CA 0.366 45.480 45.100 0.023 0.000 0.639 94 G HN 0.710 nan 8.290 nan 0.000 0.514 95 Q N 0.024 119.842 119.800 0.030 0.000 2.204 95 Q HA 0.271 4.611 4.340 -0.000 0.000 0.209 95 Q C 1.591 177.628 176.000 0.062 0.000 0.861 95 Q CA 0.381 56.207 55.803 0.039 0.000 0.971 95 Q CB 0.562 29.318 28.738 0.029 0.000 1.095 95 Q HN 0.605 nan 8.270 nan 0.000 0.486 96 E N 1.482 121.721 120.200 0.065 0.000 2.118 96 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 96 E C 1.868 178.547 176.600 0.132 0.000 0.992 96 E CA 1.464 57.921 56.400 0.096 0.000 0.804 96 E CB -0.157 29.593 29.700 0.082 0.000 0.741 96 E HN 0.399 nan 8.360 nan 0.000 0.458 97 A N 0.545 123.429 122.820 0.107 0.000 1.873 97 A HA -0.247 4.073 4.320 -0.000 0.000 0.215 97 A C 2.066 179.756 177.584 0.176 0.000 1.186 97 A CA 1.578 53.689 52.037 0.124 0.000 0.616 97 A CB -0.496 18.548 19.000 0.072 0.000 0.823 97 A HN 0.140 nan 8.150 nan 0.000 0.442 98 Q N -0.101 119.784 119.800 0.141 0.000 2.084 98 Q HA 0.008 4.348 4.340 -0.000 0.000 0.202 98 Q C 2.299 178.476 176.000 0.295 0.000 0.978 98 Q CA 1.855 57.764 55.803 0.177 0.000 0.844 98 Q CB -0.626 28.175 28.738 0.106 0.000 0.898 98 Q HN 0.652 nan 8.270 nan 0.000 0.426 99 A N 0.754 123.736 122.820 0.269 0.000 1.902 99 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 99 A C 1.934 179.884 177.584 0.611 0.000 1.181 99 A CA 1.454 53.728 52.037 0.396 0.000 0.623 99 A CB -0.325 18.807 19.000 0.221 0.000 0.818 99 A HN 0.183 nan 8.150 nan 0.000 0.443 100 E N -1.385 119.067 120.200 0.420 0.000 2.107 100 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 100 E C 1.695 178.391 176.600 0.160 0.000 0.982 100 E CA 0.904 57.468 56.400 0.273 0.000 0.809 100 E CB -0.471 29.343 29.700 0.190 0.000 0.756 100 E HN 0.858 nan 8.360 nan 0.000 0.459 101 W N 2.078 123.415 121.300 0.062 0.000 2.358 101 W HA -0.184 4.476 4.660 -0.000 0.000 0.303 101 W C 2.199 178.714 176.519 -0.007 0.000 1.208 101 W CA 2.367 59.710 57.345 -0.003 0.000 1.274 101 W CB -0.347 29.106 29.460 -0.012 0.000 1.138 101 W HN -0.043 nan 8.180 nan 0.000 0.515 102 T N 0.349 115.108 114.554 0.341 0.000 2.746 102 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 102 T C 1.859 176.502 174.700 -0.095 0.000 1.039 102 T CA 1.706 63.932 62.100 0.211 0.000 1.142 102 T CB -0.386 68.739 68.868 0.428 0.000 0.866 102 T HN 0.173 nan 8.240 nan 0.000 0.444 103 R N 0.719 121.110 120.500 -0.181 0.000 2.073 103 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 103 R C 2.492 178.487 176.300 -0.508 0.000 1.134 103 R CA 1.731 57.413 56.100 -0.696 0.000 0.952 103 R CB -0.175 29.388 30.300 -1.228 0.000 0.850 103 R HN 0.496 nan 8.270 nan 0.000 0.433 104 E N -0.248 119.702 120.200 -0.417 0.000 2.077 104 E HA -0.229 4.120 4.350 -0.000 0.000 0.193 104 E C 2.028 178.369 176.600 -0.433 0.000 0.989 104 E CA 1.149 57.311 56.400 -0.397 0.000 0.800 104 E CB 0.169 29.637 29.700 -0.386 0.000 0.746 104 E HN 0.307 nan 8.360 nan 0.000 0.452 105 Q N 0.061 119.526 119.800 -0.558 0.000 2.061 105 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 105 Q C 2.316 178.113 176.000 -0.338 0.000 0.984 105 Q CA 0.886 56.394 55.803 -0.492 0.000 0.846 105 Q CB -0.376 28.026 28.738 -0.561 0.000 0.902 105 Q HN 0.284 nan 8.270 nan 0.000 0.421 106 L N 0.555 121.563 121.223 -0.358 0.000 1.971 106 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 106 L C 2.433 179.119 176.870 -0.306 0.000 1.072 106 L CA 1.633 56.245 54.840 -0.380 0.000 0.758 106 L CB -1.335 40.434 42.059 -0.483 0.000 0.889 106 L HN 0.210 nan 8.230 nan 0.000 0.433 107 L N -1.257 119.790 121.223 -0.293 0.000 2.265 107 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 107 L C 1.993 178.752 176.870 -0.185 0.000 1.117 107 L CA 1.048 55.755 54.840 -0.222 0.000 0.782 107 L CB -0.851 41.076 42.059 -0.220 0.000 0.914 107 L HN 0.433 nan 8.230 nan 0.000 0.441 108 G N -1.457 107.221 108.800 -0.203 0.000 3.189 108 G HA2 0.310 4.270 3.960 -0.000 0.000 0.225 108 G HA3 0.310 4.270 3.960 -0.000 0.000 0.225 108 G C 1.021 175.834 174.900 -0.145 0.000 1.159 108 G CA 0.330 45.333 45.100 -0.161 0.000 0.763 108 G HN 0.344 nan 8.290 nan 0.000 0.549 109 A N -0.105 122.613 122.820 -0.170 0.000 2.783 109 A HA -0.176 4.144 4.320 -0.000 0.000 0.292 109 A C 1.573 179.060 177.584 -0.161 0.000 1.495 109 A CA 1.168 53.105 52.037 -0.167 0.000 0.787 109 A CB -1.975 16.944 19.000 -0.135 0.000 1.017 109 A HN 1.296 nan 8.150 nan 0.000 0.516 110 L N -4.472 116.664 121.223 -0.144 0.000 4.696 110 L HA -0.258 4.081 4.340 -0.000 0.000 0.425 110 L C 1.480 178.391 176.870 0.069 0.000 1.115 110 L CA 0.763 55.583 54.840 -0.033 0.000 0.996 110 L CB -1.978 39.993 42.059 -0.147 0.000 2.077 110 L HN 2.425 nan 8.230 nan 0.000 0.792 111 G N 0.283 109.074 108.800 -0.015 0.000 2.246 111 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.273 111 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.273 111 G C 0.557 175.494 174.900 0.062 0.000 1.055 111 G CA 0.834 45.944 45.100 0.017 0.000 0.851 111 G HN 0.989 nan 8.290 nan 0.000 0.500 112 S N -1.154 114.559 115.700 0.022 0.000 2.568 112 S HA 0.460 4.930 4.470 -0.000 0.000 0.232 112 S C 2.007 176.604 174.600 -0.006 0.000 0.975 112 S CA 0.919 59.138 58.200 0.031 0.000 0.949 112 S CB 0.615 63.788 63.200 -0.045 0.000 0.829 112 S HN 2.224 nan 8.310 nan 0.000 0.479 113 G N 1.524 110.313 108.800 -0.018 0.000 2.180 113 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 113 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 113 G C 0.177 175.054 174.900 -0.038 0.000 0.989 113 G CA 0.686 45.771 45.100 -0.024 0.000 0.692 113 G HN 0.502 nan 8.290 nan 0.000 0.526 114 K N -0.276 120.091 120.400 -0.056 0.000 2.148 114 K HA 0.613 4.933 4.320 -0.000 0.000 0.239 114 K C 0.334 176.891 176.600 -0.072 0.000 1.018 114 K CA -0.193 56.053 56.287 -0.067 0.000 0.923 114 K CB 0.841 33.286 32.500 -0.091 0.000 1.117 114 K HN 0.126 nan 8.250 nan 0.000 0.477 115 T N 1.126 115.640 114.554 -0.068 0.000 2.767 115 T HA 0.445 4.795 4.350 -0.000 0.000 0.288 115 T C -0.761 173.895 174.700 -0.073 0.000 0.963 115 T CA -0.618 61.444 62.100 -0.063 0.000 1.019 115 T CB 0.027 68.866 68.868 -0.049 0.000 0.923 115 T HN 0.284 nan 8.240 nan 0.000 0.468 116 L N 5.047 126.223 121.223 -0.077 0.000 2.471 116 L HA 0.396 4.736 4.340 -0.000 0.000 0.263 116 L C -0.245 176.590 176.870 -0.058 0.000 0.985 116 L CA -0.744 54.049 54.840 -0.079 0.000 0.868 116 L CB 1.465 43.451 42.059 -0.121 0.000 1.203 116 L HN 0.689 nan 8.230 nan 0.000 0.429 117 E N 3.904 124.087 120.200 -0.029 0.000 2.491 117 E HA 0.114 4.464 4.350 -0.000 0.000 0.250 117 E C -0.843 175.765 176.600 0.013 0.000 1.061 117 E CA 0.226 56.619 56.400 -0.011 0.000 0.942 117 E CB 1.172 30.871 29.700 -0.002 0.000 0.957 117 E HN 0.239 nan 8.360 nan 0.000 0.480 118 V N 4.582 124.494 119.914 -0.004 0.000 2.567 118 V HA 0.119 4.239 4.120 -0.000 0.000 0.298 118 V C 0.101 176.197 176.094 0.004 0.000 1.047 118 V CA -0.829 61.480 62.300 0.016 0.000 0.880 118 V CB 1.790 33.583 31.823 -0.049 0.000 1.009 118 V HN 0.545 nan 8.190 nan 0.000 0.429 119 E N 2.622 122.837 120.200 0.025 0.000 2.212 119 E HA 0.484 4.834 4.350 -0.000 0.000 0.270 119 E C -1.356 175.255 176.600 0.018 0.000 0.956 119 E CA -0.868 55.538 56.400 0.011 0.000 0.825 119 E CB 2.136 31.840 29.700 0.006 0.000 1.167 119 E HN 0.490 nan 8.360 nan 0.000 0.400 120 D N 1.755 122.161 120.400 0.010 0.000 2.295 120 D HA 0.223 4.863 4.640 -0.000 0.000 0.248 120 D C -0.287 176.025 176.300 0.020 0.000 1.154 120 D CA 0.065 54.076 54.000 0.018 0.000 0.857 120 D CB 0.985 41.794 40.800 0.015 0.000 1.117 120 D HN 0.286 nan 8.370 nan 0.000 0.468 121 R N 3.336 123.851 120.500 0.026 0.000 2.518 121 R HA 0.241 4.581 4.340 -0.000 0.000 0.296 121 R C -2.823 173.478 176.300 0.003 0.000 1.080 121 R CA -1.585 54.508 56.100 -0.011 0.000 0.922 121 R CB 2.246 32.533 30.300 -0.022 0.000 1.184 121 R HN 0.203 nan 8.270 nan 0.000 0.445 122 P HA 0.002 nan 4.420 nan 0.000 0.269 122 P C -0.899 176.397 177.300 -0.006 0.000 1.215 122 P CA -0.166 62.942 63.100 0.015 0.000 0.780 122 P CB 1.216 32.932 31.700 0.027 0.000 0.898 123 L N 3.101 124.342 121.223 0.029 0.000 2.333 123 L HA 0.473 4.813 4.340 -0.000 0.000 0.280 123 L C -0.903 175.990 176.870 0.037 0.000 1.004 123 L CA -0.923 53.930 54.840 0.021 0.000 0.820 123 L CB 0.961 43.038 42.059 0.029 0.000 1.247 123 L HN 0.222 nan 8.230 nan 0.000 0.416 124 L N 4.537 125.780 121.223 0.033 0.000 2.313 124 L HA 0.380 4.720 4.340 -0.000 0.000 0.283 124 L C -0.727 176.201 176.870 0.096 0.000 1.013 124 L CA -0.830 54.048 54.840 0.063 0.000 0.816 124 L CB 1.320 43.411 42.059 0.053 0.000 1.236 124 L HN 0.579 nan 8.230 nan 0.000 0.419 125 H N 5.298 124.368 119.070 -0.000 0.000 2.702 125 H HA 0.356 4.912 4.556 -0.000 0.000 0.252 125 H C -0.415 174.911 175.328 -0.003 0.000 1.493 125 H CA -0.728 55.316 56.048 -0.006 0.000 1.273 125 H CB -0.012 29.746 29.762 -0.007 0.000 1.537 125 H HN 0.446 nan 8.280 nan 0.000 0.547 126 L N 4.903 126.267 121.223 0.235 0.000 2.559 126 L HA -0.013 4.327 4.340 -0.000 0.000 0.282 126 L C 0.087 177.026 176.870 0.114 0.000 1.232 126 L CA 0.642 55.557 54.840 0.125 0.000 0.885 126 L CB 0.135 42.239 42.059 0.075 0.000 1.131 126 L HN 0.393 nan 8.230 nan 0.000 0.498 127 L N 4.784 126.017 121.223 0.018 0.000 2.350 127 L HA 0.531 4.871 4.340 -0.000 0.000 0.260 127 L C -1.842 175.023 176.870 -0.008 0.000 1.015 127 L CA -1.572 53.255 54.840 -0.022 0.000 0.821 127 L CB 2.301 44.299 42.059 -0.102 0.000 1.370 127 L HN 0.377 nan 8.230 nan 0.000 0.416 128 P HA -0.010 nan 4.420 nan 0.000 0.214 128 P C -0.042 177.252 177.300 -0.010 0.000 1.110 128 P CA 0.100 63.197 63.100 -0.004 0.000 0.659 128 P CB 0.081 31.781 31.700 -0.001 0.000 0.803 129 A N 0.578 123.391 122.820 -0.011 0.000 2.524 129 A HA 0.331 4.651 4.320 -0.000 0.000 0.271 129 A C 1.012 178.586 177.584 -0.017 0.000 1.097 129 A CA 0.373 52.403 52.037 -0.011 0.000 0.791 129 A CB -1.544 17.450 19.000 -0.010 0.000 1.028 129 A HN 0.413 nan 8.150 nan 0.000 0.518 130 G N 2.239 111.031 108.800 -0.014 0.000 2.396 130 G HA2 0.467 4.427 3.960 -0.000 0.000 0.292 130 G HA3 0.467 4.427 3.960 -0.000 0.000 0.292 130 G C -0.099 174.792 174.900 -0.015 0.000 1.106 130 G CA 0.012 45.102 45.100 -0.017 0.000 1.055 130 G HN 0.894 nan 8.290 nan 0.000 0.424 131 E N 2.064 122.252 120.200 -0.020 0.000 2.883 131 E HA 0.474 4.824 4.350 -0.000 0.000 0.355 131 E C 0.081 176.670 176.600 -0.020 0.000 0.939 131 E CA 0.054 56.445 56.400 -0.016 0.000 0.783 131 E CB 0.306 29.999 29.700 -0.012 0.000 1.361 131 E HN 0.924 nan 8.360 nan 0.000 0.413 132 G N 1.968 110.758 108.800 -0.017 0.000 2.591 132 G HA2 0.089 4.049 3.960 -0.000 0.000 0.104 132 G HA3 0.089 4.049 3.960 -0.000 0.000 0.104 132 G C -0.420 174.471 174.900 -0.015 0.000 1.097 132 G CA -0.129 44.960 45.100 -0.018 0.000 1.076 132 G HN 0.520 nan 8.290 nan 0.000 0.485 133 S N -0.434 115.256 115.700 -0.017 0.000 2.632 133 S HA 0.450 4.920 4.470 -0.000 0.000 0.254 133 S C 1.336 175.931 174.600 -0.008 0.000 1.291 133 S CA 0.815 59.009 58.200 -0.010 0.000 0.974 133 S CB -0.118 63.076 63.200 -0.010 0.000 1.016 133 S HN 1.843 nan 8.310 nan 0.000 0.579 134 G N 1.473 110.272 108.800 -0.001 0.000 2.624 134 G HA2 0.350 4.310 3.960 -0.000 0.000 0.292 134 G HA3 0.350 4.310 3.960 -0.000 0.000 0.292 134 G C -0.180 174.721 174.900 0.002 0.000 0.777 134 G CA -0.018 45.084 45.100 0.003 0.000 1.883 134 G HN 0.511 nan 8.290 nan 0.000 0.505 135 L N 1.181 122.402 121.223 -0.003 0.000 2.635 135 L HA 0.708 5.048 4.340 -0.000 0.000 0.250 135 L C 0.571 177.445 176.870 0.007 0.000 1.117 135 L CA -0.776 54.061 54.840 -0.005 0.000 0.834 135 L CB 1.399 43.447 42.059 -0.017 0.000 1.544 135 L HN 0.207 nan 8.230 nan 0.000 0.511 136 T N 0.469 115.030 114.554 0.011 0.000 3.032 136 T HA 0.302 4.652 4.350 -0.000 0.000 0.312 136 T C -2.787 171.925 174.700 0.021 0.000 1.078 136 T CA -0.815 61.297 62.100 0.020 0.000 1.028 136 T CB 2.062 70.950 68.868 0.033 0.000 1.091 136 T HN 0.332 nan 8.240 nan 0.000 0.457 137 P HA 0.105 nan 4.420 nan 0.000 0.266 137 P C 0.894 178.211 177.300 0.028 0.000 1.215 137 P CA 0.014 63.125 63.100 0.019 0.000 0.763 137 P CB 0.533 32.242 31.700 0.015 0.000 0.806 138 T N 3.322 117.894 114.554 0.029 0.000 2.721 138 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 138 T C 1.772 176.499 174.700 0.044 0.000 1.038 138 T CA 1.302 63.426 62.100 0.040 0.000 1.145 138 T CB -0.472 68.416 68.868 0.033 0.000 0.858 138 T HN 0.207 nan 8.240 nan 0.000 0.459 139 L N 1.310 122.552 121.223 0.031 0.000 2.079 139 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 139 L C 2.178 179.065 176.870 0.028 0.000 1.081 139 L CA 1.727 56.584 54.840 0.027 0.000 0.752 139 L CB -0.701 41.368 42.059 0.017 0.000 0.896 139 L HN 0.207 nan 8.230 nan 0.000 0.433 140 D N -1.297 119.121 120.400 0.029 0.000 2.183 140 D HA 0.027 4.667 4.640 -0.000 0.000 0.205 140 D C 2.235 178.562 176.300 0.046 0.000 0.962 140 D CA 1.142 55.157 54.000 0.025 0.000 0.849 140 D CB -0.023 40.790 40.800 0.021 0.000 0.978 140 D HN 0.270 nan 8.370 nan 0.000 0.488 141 A N 0.634 123.496 122.820 0.071 0.000 1.902 141 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 141 A C 1.576 179.279 177.584 0.199 0.000 1.181 141 A CA 0.981 53.090 52.037 0.119 0.000 0.623 141 A CB -0.332 18.730 19.000 0.103 0.000 0.818 141 A HN 0.147 nan 8.150 nan 0.000 0.443 142 L N -0.284 121.037 121.223 0.163 0.000 2.783 142 L HA 0.340 4.680 4.340 -0.000 0.000 0.236 142 L C 2.135 179.061 176.870 0.093 0.000 1.225 142 L CA 0.355 55.328 54.840 0.221 0.000 1.026 142 L CB -1.120 41.036 42.059 0.161 0.000 1.314 142 L HN 0.376 nan 8.230 nan 0.000 0.489 143 A N -0.228 122.596 122.820 0.007 0.000 1.849 143 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 143 A C 1.802 179.281 177.584 -0.175 0.000 1.202 143 A CA 2.070 54.062 52.037 -0.075 0.000 0.629 143 A CB -0.446 18.502 19.000 -0.087 0.000 0.834 143 A HN 0.372 nan 8.150 nan 0.000 0.447 144 D N -1.884 118.256 120.400 -0.433 0.000 2.370 144 D HA 0.229 4.869 4.640 -0.000 0.000 0.230 144 D C -0.968 174.932 176.300 -0.666 0.000 1.143 144 D CA -0.018 53.644 54.000 -0.564 0.000 0.834 144 D CB -0.224 40.177 40.800 -0.665 0.000 0.944 144 D HN 0.201 nan 8.370 nan 0.000 0.504 145 F N 0.175 120.141 119.950 0.027 0.000 2.622 145 F HA 0.312 4.839 4.527 -0.000 0.000 0.338 145 F C -1.569 174.253 175.800 0.038 0.000 1.334 145 F CA -2.186 55.836 58.000 0.037 0.000 1.179 145 F CB 1.478 40.505 39.000 0.044 0.000 1.471 145 F HN -0.126 nan 8.300 nan 0.000 0.576 146 P HA -0.186 nan 4.420 nan 0.000 0.219 146 P C 1.247 178.614 177.300 0.112 0.000 1.150 146 P CA 1.421 64.582 63.100 0.102 0.000 0.814 146 P CB 0.312 32.048 31.700 0.060 0.000 0.787 147 E N 0.918 121.204 120.200 0.143 0.000 2.338 147 E HA -0.099 4.251 4.350 -0.000 0.000 0.197 147 E C 1.643 178.337 176.600 0.156 0.000 1.007 147 E CA 1.343 57.830 56.400 0.145 0.000 0.849 147 E CB -0.986 28.812 29.700 0.163 0.000 0.774 147 E HN 0.232 nan 8.360 nan 0.000 0.506 148 A N 0.927 123.838 122.820 0.152 0.000 2.115 148 A HA 0.242 4.562 4.320 -0.000 0.000 0.211 148 A C 2.166 179.770 177.584 0.034 0.000 1.169 148 A CA 0.012 52.100 52.037 0.086 0.000 0.787 148 A CB -0.333 18.731 19.000 0.107 0.000 0.858 148 A HN 0.252 nan 8.150 nan 0.000 0.474 149 L N -0.551 120.710 121.223 0.063 0.000 2.072 149 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 149 L C 2.693 179.571 176.870 0.014 0.000 1.079 149 L CA 1.190 56.054 54.840 0.040 0.000 0.752 149 L CB -0.274 41.816 42.059 0.052 0.000 0.906 149 L HN 0.384 nan 8.230 nan 0.000 0.436 150 A N -0.379 122.452 122.820 0.018 0.000 2.178 150 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 150 A C 2.029 179.600 177.584 -0.020 0.000 1.157 150 A CA 1.049 53.090 52.037 0.005 0.000 0.689 150 A CB -0.578 18.433 19.000 0.019 0.000 0.787 150 A HN 0.520 nan 8.150 nan 0.000 0.465 151 L N -1.199 119.994 121.223 -0.049 0.000 2.270 151 L HA 0.117 4.457 4.340 -0.000 0.000 0.210 151 L C 0.742 177.570 176.870 -0.070 0.000 1.104 151 L CA 0.225 55.008 54.840 -0.095 0.000 0.804 151 L CB -0.449 41.491 42.059 -0.197 0.000 0.937 151 L HN 0.415 nan 8.230 nan 0.000 0.450 152 L N -3.531 117.665 121.223 -0.046 0.000 2.211 152 L HA 0.555 4.895 4.340 -0.000 0.000 0.259 152 L C -0.602 176.259 176.870 -0.015 0.000 1.031 152 L CA -0.917 53.904 54.840 -0.031 0.000 0.877 152 L CB 0.771 42.815 42.059 -0.026 0.000 1.457 152 L HN -0.281 nan 8.230 nan 0.000 0.466 153 D N -0.322 120.072 120.400 -0.010 0.000 2.461 153 D HA 0.306 4.946 4.640 -0.000 0.000 0.240 153 D C -2.096 174.204 176.300 0.000 0.000 1.094 153 D CA -1.739 52.258 54.000 -0.004 0.000 0.868 153 D CB 2.156 42.953 40.800 -0.005 0.000 1.062 153 D HN 0.203 nan 8.370 nan 0.000 0.530 154 P HA -0.180 nan 4.420 nan 0.000 0.217 154 P C 1.011 178.315 177.300 0.006 0.000 1.148 154 P CA 1.352 64.457 63.100 0.008 0.000 0.834 154 P CB 0.359 32.064 31.700 0.010 0.000 0.783 155 A N -0.214 122.608 122.820 0.003 0.000 1.897 155 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 155 A C 2.103 179.688 177.584 0.002 0.000 1.181 155 A CA 1.217 53.256 52.037 0.002 0.000 0.620 155 A CB -0.798 18.202 19.000 0.001 0.000 0.821 155 A HN 0.140 nan 8.150 nan 0.000 0.443 156 R N -1.149 119.352 120.500 0.001 0.000 2.275 156 R HA 0.268 4.607 4.340 -0.000 0.000 0.199 156 R C -0.353 175.949 176.300 0.003 0.000 0.989 156 R CA 0.447 56.548 56.100 0.001 0.000 1.016 156 R CB -0.063 30.237 30.300 -0.000 0.000 0.918 156 R HN 0.367 nan 8.270 nan 0.000 0.473 157 L N 1.323 122.549 121.223 0.005 0.000 2.574 157 L HA 0.235 4.575 4.340 -0.000 0.000 0.258 157 L C -1.866 175.010 176.870 0.010 0.000 1.520 157 L CA -1.222 53.623 54.840 0.009 0.000 0.775 157 L CB 1.836 43.903 42.059 0.012 0.000 1.028 157 L HN -0.105 nan 8.230 nan 0.000 0.516 158 P HA -0.099 nan 4.420 nan 0.000 0.216 158 P C 0.602 177.907 177.300 0.009 0.000 1.153 158 P CA 1.207 64.311 63.100 0.007 0.000 0.848 158 P CB 0.376 32.078 31.700 0.003 0.000 0.787 159 V N -3.765 116.151 119.914 0.003 0.000 3.096 159 V HA 0.934 5.054 4.120 -0.000 0.000 0.319 159 V C -0.541 175.554 176.094 0.001 0.000 1.103 159 V CA -1.096 61.204 62.300 0.001 0.000 1.016 159 V CB 1.203 33.020 31.823 -0.010 0.000 1.090 159 V HN 0.267 nan 8.190 nan 0.000 0.449 160 A N 1.867 124.688 122.820 0.003 0.000 2.602 160 A HA 0.888 5.208 4.320 -0.000 0.000 0.290 160 A C -0.832 176.753 177.584 0.002 0.000 1.114 160 A CA -0.942 51.100 52.037 0.009 0.000 0.683 160 A CB 1.811 20.837 19.000 0.044 0.000 1.281 160 A HN 1.163 nan 8.150 nan 0.000 0.416 161 R N 0.891 121.397 120.500 0.010 0.000 2.247 161 R HA 0.569 4.909 4.340 -0.000 0.000 0.329 161 R C -1.364 174.972 176.300 0.060 0.000 1.014 161 R CA -0.120 55.990 56.100 0.017 0.000 0.907 161 R CB 0.532 30.824 30.300 -0.012 0.000 1.146 161 R HN 0.531 nan 8.270 nan 0.000 0.499 162 V N 3.642 123.588 119.914 0.053 0.000 2.649 162 V HA 0.204 4.324 4.120 -0.000 0.000 0.292 162 V C -0.099 176.034 176.094 0.066 0.000 1.055 162 V CA -0.296 62.042 62.300 0.064 0.000 1.023 162 V CB 1.436 33.298 31.823 0.066 0.000 0.992 162 V HN 0.732 nan 8.190 nan 0.000 0.480 163 D N 5.084 125.527 120.400 0.072 0.000 2.420 163 D HA 0.404 5.044 4.640 -0.000 0.000 0.255 163 D C -2.098 174.259 176.300 0.094 0.000 1.185 163 D CA -2.129 51.921 54.000 0.083 0.000 0.904 163 D CB 2.238 43.088 40.800 0.083 0.000 1.102 163 D HN 0.157 nan 8.370 nan 0.000 0.534 164 P HA 0.050 nan 4.420 nan 0.000 0.230 164 P C 0.628 177.986 177.300 0.097 0.000 1.158 164 P CA 0.620 63.773 63.100 0.087 0.000 0.769 164 P CB 0.283 32.029 31.700 0.076 0.000 0.807 165 R N -0.865 119.715 120.500 0.135 0.000 2.359 165 R HA 0.377 4.717 4.340 -0.000 0.000 0.231 165 R C 0.653 177.103 176.300 0.251 0.000 0.913 165 R CA -0.327 55.869 56.100 0.159 0.000 1.075 165 R CB 0.166 30.582 30.300 0.194 0.000 1.087 165 R HN 0.091 nan 8.270 nan 0.000 0.515 166 A N 1.455 124.414 122.820 0.232 0.000 2.445 166 A HA 0.405 4.725 4.320 -0.000 0.000 0.242 166 A C -0.123 177.592 177.584 0.219 0.000 1.075 166 A CA 0.137 52.342 52.037 0.279 0.000 0.777 166 A CB 0.348 19.444 19.000 0.158 0.000 1.013 166 A HN 0.208 nan 8.150 nan 0.000 0.493 167 L N 0.874 122.268 121.223 0.285 0.000 2.371 167 L HA 0.645 4.985 4.340 -0.000 0.000 0.262 167 L C -0.019 176.987 176.870 0.227 0.000 1.006 167 L CA -0.735 54.228 54.840 0.205 0.000 0.818 167 L CB 2.764 44.922 42.059 0.166 0.000 1.354 167 L HN 0.845 nan 8.230 nan 0.000 0.415 168 T N -1.294 113.357 114.554 0.161 0.000 2.863 168 T HA 0.790 5.140 4.350 -0.000 0.000 0.285 168 T C -0.905 173.904 174.700 0.182 0.000 1.009 168 T CA -0.695 61.466 62.100 0.102 0.000 0.989 168 T CB 1.757 70.630 68.868 0.009 0.000 1.004 168 T HN 0.597 nan 8.240 nan 0.000 0.455 169 Y N -0.808 119.495 120.300 0.004 0.000 2.725 169 Y HA 0.761 5.311 4.550 -0.000 0.000 0.333 169 Y C -1.259 174.628 175.900 -0.021 0.000 1.242 169 Y CA -1.706 56.385 58.100 -0.014 0.000 1.059 169 Y CB 1.113 39.566 38.460 -0.012 0.000 1.306 169 Y HN 0.456 nan 8.280 nan 0.000 0.454 170 R N 1.828 122.396 120.500 0.114 0.000 2.215 170 R HA 0.317 4.657 4.340 -0.000 0.000 0.336 170 R C -2.431 173.932 176.300 0.105 0.000 0.996 170 R CA -2.590 53.506 56.100 -0.007 0.000 0.847 170 R CB 1.058 31.354 30.300 -0.006 0.000 1.127 170 R HN 0.549 nan 8.270 nan 0.000 0.465 171 P HA -0.130 nan 4.420 nan 0.000 0.218 171 P C 1.303 178.642 177.300 0.065 0.000 1.148 171 P CA 1.254 64.421 63.100 0.111 0.000 0.822 171 P CB 0.334 32.028 31.700 -0.010 0.000 0.784 172 G N -0.670 108.130 108.800 0.000 0.000 2.446 172 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 172 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 172 G C 1.703 176.601 174.900 -0.004 0.000 1.168 172 G CA 0.985 46.077 45.100 -0.014 0.000 0.771 172 G HN 0.202 nan 8.290 nan 0.000 0.551 173 S N 0.146 115.851 115.700 0.008 0.000 2.383 173 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 173 S C 2.146 176.736 174.600 -0.017 0.000 1.026 173 S CA 1.014 59.212 58.200 -0.005 0.000 0.981 173 S CB -0.239 62.964 63.200 0.005 0.000 0.818 173 S HN 0.267 nan 8.310 nan 0.000 0.472 174 L N 2.200 123.437 121.223 0.024 0.000 1.994 174 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 174 L C 2.357 179.195 176.870 -0.054 0.000 1.071 174 L CA 2.083 56.912 54.840 -0.019 0.000 0.745 174 L CB -1.297 40.796 42.059 0.056 0.000 0.892 174 L HN 0.227 nan 8.230 nan 0.000 0.431 175 A N -0.552 122.260 122.820 -0.013 0.000 1.865 175 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 175 A C 2.283 179.835 177.584 -0.055 0.000 1.191 175 A CA 2.060 54.083 52.037 -0.025 0.000 0.623 175 A CB -1.190 17.811 19.000 0.002 0.000 0.826 175 A HN 0.511 nan 8.150 nan 0.000 0.444 176 L N -0.586 120.608 121.223 -0.049 0.000 2.012 176 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 176 L C 2.310 179.126 176.870 -0.090 0.000 1.073 176 L CA 2.313 57.119 54.840 -0.056 0.000 0.748 176 L CB -0.692 41.340 42.059 -0.045 0.000 0.891 176 L HN 0.411 nan 8.230 nan 0.000 0.431 177 L N -0.104 121.048 121.223 -0.118 0.000 2.042 177 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 177 L C 2.459 179.165 176.870 -0.275 0.000 1.076 177 L CA 2.268 57.002 54.840 -0.178 0.000 0.749 177 L CB -1.233 40.709 42.059 -0.196 0.000 0.893 177 L HN 0.287 nan 8.230 nan 0.000 0.432 178 A N -0.461 122.182 122.820 -0.295 0.000 1.873 178 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 178 A C 2.466 179.937 177.584 -0.188 0.000 1.186 178 A CA 1.889 53.688 52.037 -0.397 0.000 0.616 178 A CB -1.249 17.589 19.000 -0.271 0.000 0.823 178 A HN 0.617 nan 8.150 nan 0.000 0.442 179 A N -0.659 122.102 122.820 -0.100 0.000 1.858 179 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 179 A C 2.135 179.700 177.584 -0.032 0.000 1.190 179 A CA 1.727 53.742 52.037 -0.037 0.000 0.617 179 A CB -0.727 18.256 19.000 -0.028 0.000 0.827 179 A HN 0.640 nan 8.150 nan 0.000 0.443 180 Q N -0.987 118.778 119.800 -0.059 0.000 2.029 180 Q HA -0.262 4.078 4.340 -0.000 0.000 0.209 180 Q C 2.375 178.362 176.000 -0.022 0.000 0.999 180 Q CA 1.751 57.528 55.803 -0.043 0.000 0.857 180 Q CB -0.276 28.426 28.738 -0.060 0.000 0.926 180 Q HN 0.590 nan 8.270 nan 0.000 0.415 181 Q N -0.260 119.504 119.800 -0.059 0.000 2.135 181 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 181 Q C 2.023 178.128 176.000 0.175 0.000 0.981 181 Q CA 1.562 57.379 55.803 0.024 0.000 0.856 181 Q CB -0.431 28.220 28.738 -0.145 0.000 0.902 181 Q HN 0.421 nan 8.270 nan 0.000 0.425 182 A N 0.449 123.378 122.820 0.181 0.000 1.898 182 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 182 A C 2.171 179.811 177.584 0.093 0.000 1.181 182 A CA 1.045 53.191 52.037 0.183 0.000 0.620 182 A CB -0.566 18.521 19.000 0.145 0.000 0.819 182 A HN 0.320 nan 8.150 nan 0.000 0.442 183 I N -0.320 120.285 120.570 0.058 0.000 2.315 183 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 183 I C 2.518 178.659 176.117 0.040 0.000 1.117 183 I CA 1.079 62.402 61.300 0.038 0.000 1.404 183 I CB -0.413 37.599 38.000 0.020 0.000 1.071 183 I HN 0.383 nan 8.210 nan 0.000 0.419 184 G N -0.167 108.660 108.800 0.044 0.000 2.679 184 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.212 184 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.212 184 G C 1.309 176.239 174.900 0.051 0.000 1.137 184 G CA 0.252 45.376 45.100 0.041 0.000 0.787 184 G HN 0.280 nan 8.290 nan 0.000 0.534 185 Q N -0.269 119.569 119.800 0.064 0.000 2.188 185 Q HA 0.240 4.580 4.340 -0.000 0.000 0.212 185 Q C 1.329 177.356 176.000 0.044 0.000 0.846 185 Q CA 0.329 56.165 55.803 0.056 0.000 0.989 185 Q CB 0.691 29.468 28.738 0.064 0.000 1.114 185 Q HN 0.464 nan 8.270 nan 0.000 0.488 186 G N 0.832 109.659 108.800 0.044 0.000 2.132 186 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.228 186 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.228 186 G C 0.228 175.161 174.900 0.054 0.000 1.000 186 G CA 0.080 45.207 45.100 0.046 0.000 0.693 186 G HN 0.516 nan 8.290 nan 0.000 0.515 187 A N 0.333 123.183 122.820 0.049 0.000 2.366 187 A HA 0.738 5.058 4.320 -0.000 0.000 0.272 187 A C 1.190 178.794 177.584 0.035 0.000 1.135 187 A CA 0.712 52.776 52.037 0.044 0.000 0.804 187 A CB 0.539 19.562 19.000 0.039 0.000 1.064 187 A HN 1.795 nan 8.150 nan 0.000 0.499 188 G N 1.026 109.845 108.800 0.032 0.000 2.491 188 G HA2 0.459 4.419 3.960 -0.000 0.000 0.242 188 G HA3 0.459 4.419 3.960 -0.000 0.000 0.242 188 G C -0.355 174.523 174.900 -0.036 0.000 1.266 188 G CA -0.244 44.863 45.100 0.012 0.000 0.844 188 G HN 0.771 nan 8.290 nan 0.000 0.571 189 L N 2.187 123.394 121.223 -0.027 0.000 2.410 189 L HA 0.682 5.022 4.340 -0.000 0.000 0.270 189 L C -1.692 175.157 176.870 -0.036 0.000 0.983 189 L CA -0.854 53.967 54.840 -0.032 0.000 0.822 189 L CB 1.828 43.881 42.059 -0.010 0.000 1.285 189 L HN 0.408 nan 8.230 nan 0.000 0.409 190 L N 5.407 126.602 121.223 -0.046 0.000 2.406 190 L HA 0.571 4.911 4.340 -0.000 0.000 0.270 190 L C -0.682 176.174 176.870 -0.022 0.000 0.982 190 L CA 0.021 54.838 54.840 -0.037 0.000 0.843 190 L CB 1.800 43.822 42.059 -0.062 0.000 1.225 190 L HN 0.544 nan 8.230 nan 0.000 0.412 191 L N 3.113 124.331 121.223 -0.009 0.000 2.347 191 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 191 L C 0.557 177.430 176.870 0.005 0.000 1.019 191 L CA -1.149 53.690 54.840 -0.002 0.000 0.806 191 L CB 0.807 42.865 42.059 -0.001 0.000 1.339 191 L HN 0.655 nan 8.230 nan 0.000 0.463 192 N N -0.865 117.841 118.700 0.009 0.000 2.708 192 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 192 N C -1.121 174.403 175.510 0.024 0.000 1.017 192 N CA 0.856 53.915 53.050 0.016 0.000 0.742 192 N CB -1.127 37.369 38.487 0.016 0.000 0.943 192 N HN 0.597 nan 8.380 nan 0.000 0.539 193 T N -0.286 114.283 114.554 0.024 0.000 2.879 193 T HA 0.331 4.681 4.350 -0.000 0.000 0.290 193 T C -0.049 174.680 174.700 0.048 0.000 0.993 193 T CA -0.773 61.349 62.100 0.038 0.000 0.975 193 T CB 2.084 70.963 68.868 0.019 0.000 0.981 193 T HN 0.227 nan 8.240 nan 0.000 0.439 194 R N 2.196 122.746 120.500 0.083 0.000 2.254 194 R HA 0.682 5.022 4.340 -0.000 0.000 0.318 194 R C -0.291 176.094 176.300 0.141 0.000 1.031 194 R CA -0.424 55.723 56.100 0.079 0.000 0.905 194 R CB 0.436 30.760 30.300 0.040 0.000 1.050 194 R HN 0.776 nan 8.270 nan 0.000 0.456 195 A N 3.857 126.730 122.820 0.087 0.000 2.310 195 A HA 0.284 4.604 4.320 -0.000 0.000 0.299 195 A C -0.726 176.917 177.584 0.098 0.000 1.147 195 A CA -0.514 51.578 52.037 0.092 0.000 0.818 195 A CB 0.935 19.958 19.000 0.039 0.000 1.096 195 A HN 0.848 nan 8.150 nan 0.000 0.495 196 E N 2.722 123.001 120.200 0.131 0.000 2.224 196 E HA 0.477 4.827 4.350 -0.000 0.000 0.265 196 E C -1.467 175.178 176.600 0.076 0.000 0.878 196 E CA -0.525 55.943 56.400 0.112 0.000 0.759 196 E CB 1.049 30.880 29.700 0.217 0.000 1.164 196 E HN 0.674 nan 8.360 nan 0.000 0.414 197 L N 4.671 125.922 121.223 0.047 0.000 2.360 197 L HA 0.311 4.651 4.340 -0.000 0.000 0.276 197 L C 0.088 176.976 176.870 0.029 0.000 1.121 197 L CA -0.514 54.345 54.840 0.032 0.000 0.845 197 L CB 0.769 42.840 42.059 0.020 0.000 1.143 197 L HN 0.384 nan 8.230 nan 0.000 0.452 198 V N 1.747 121.676 119.914 0.026 0.000 3.001 198 V HA 0.615 4.735 4.120 -0.000 0.000 0.314 198 V C -2.473 173.629 176.094 0.013 0.000 1.099 198 V CA -2.469 59.843 62.300 0.020 0.000 0.989 198 V CB 1.598 33.435 31.823 0.023 0.000 1.040 198 V HN 0.570 nan 8.190 nan 0.000 0.434 199 P HA 0.221 nan 4.420 nan 0.000 0.257 199 P C 0.924 178.229 177.300 0.008 0.000 1.189 199 P CA 1.758 64.860 63.100 0.004 0.000 0.780 199 P CB 0.521 32.222 31.700 0.002 0.000 0.772 200 G N 2.477 111.283 108.800 0.009 0.000 2.317 200 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.227 200 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.227 200 G C 0.322 175.237 174.900 0.024 0.000 1.042 200 G CA 0.049 45.158 45.100 0.014 0.000 0.623 200 G HN 0.912 nan 8.290 nan 0.000 0.509 201 G N -1.559 107.256 108.800 0.026 0.000 2.896 201 G HA2 0.724 4.684 3.960 -0.000 0.000 0.247 201 G HA3 0.724 4.684 3.960 -0.000 0.000 0.247 201 G C -1.359 173.560 174.900 0.032 0.000 1.187 201 G CA 0.483 45.605 45.100 0.036 0.000 0.837 201 G HN 1.201 nan 8.290 nan 0.000 0.559 202 V N -0.021 119.913 119.914 0.032 0.000 2.962 202 V HA 0.717 4.837 4.120 -0.000 0.000 0.313 202 V C -0.483 175.617 176.094 0.011 0.000 1.099 202 V CA -0.879 61.436 62.300 0.025 0.000 0.971 202 V CB 2.014 33.847 31.823 0.017 0.000 1.028 202 V HN 0.780 nan 8.190 nan 0.000 0.430 203 R N 2.608 123.114 120.500 0.011 0.000 2.393 203 R HA 0.703 5.043 4.340 -0.000 0.000 0.315 203 R C -1.729 174.519 176.300 -0.087 0.000 0.952 203 R CA -0.600 55.467 56.100 -0.055 0.000 0.842 203 R CB 1.127 31.412 30.300 -0.025 0.000 1.163 203 R HN 0.729 nan 8.270 nan 0.000 0.450 204 L N 4.855 125.976 121.223 -0.171 0.000 2.272 204 L HA 0.427 4.766 4.340 -0.000 0.000 0.289 204 L C -0.658 176.051 176.870 -0.269 0.000 1.032 204 L CA -0.913 53.855 54.840 -0.120 0.000 0.810 204 L CB 1.426 43.446 42.059 -0.064 0.000 1.205 204 L HN 0.641 nan 8.230 nan 0.000 0.422 205 H N 2.424 121.496 119.070 0.003 0.000 2.457 205 H HA 0.702 5.258 4.556 -0.000 0.000 0.335 205 H C -0.469 174.870 175.328 0.018 0.000 1.115 205 H CA -0.611 55.445 56.048 0.014 0.000 1.219 205 H CB 1.534 31.314 29.762 0.030 0.000 1.471 205 H HN 0.501 nan 8.280 nan 0.000 0.491 206 R N 1.406 121.975 120.500 0.115 0.000 3.176 206 R HA 0.701 5.041 4.340 -0.000 0.000 0.247 206 R C -1.254 175.101 176.300 0.092 0.000 1.382 206 R CA -1.078 55.070 56.100 0.080 0.000 1.040 206 R CB 1.634 31.958 30.300 0.040 0.000 1.426 206 R HN 0.346 nan 8.270 nan 0.000 0.485 207 L N 0.417 121.680 121.223 0.065 0.000 2.562 207 L HA 0.309 4.649 4.340 -0.000 0.000 0.266 207 L C -0.470 176.426 176.870 0.045 0.000 0.949 207 L CA -0.544 54.334 54.840 0.064 0.000 0.879 207 L CB 2.249 44.340 42.059 0.053 0.000 1.278 207 L HN 0.637 nan 8.230 nan 0.000 0.404 217 V N 4.751 124.702 119.914 0.061 0.000 3.098 217 V HA 0.569 4.689 4.120 -0.000 0.000 0.294 217 V C -0.461 175.749 176.094 0.193 0.000 1.351 217 V CA -0.431 61.936 62.300 0.111 0.000 0.999 217 V CB 2.406 34.309 31.823 0.134 0.000 1.104 217 V HN 1.161 nan 8.190 nan 0.000 0.438 218 H N 3.025 122.114 119.070 0.031 0.000 2.757 218 H HA 0.635 5.191 4.556 -0.000 0.000 0.370 218 H C -0.573 174.774 175.328 0.032 0.000 1.172 218 H CA -0.332 55.744 56.048 0.045 0.000 1.426 218 H CB 0.957 30.761 29.762 0.070 0.000 1.438 218 H HN 0.636 nan 8.280 nan 0.000 0.612 219 E N 1.830 122.041 120.200 0.019 0.000 2.621 219 E HA 0.136 4.486 4.350 -0.000 0.000 0.263 219 E C -1.108 175.401 176.600 -0.152 0.000 1.033 219 E CA -0.530 55.813 56.400 -0.096 0.000 0.778 219 E CB 1.715 31.397 29.700 -0.030 0.000 1.426 219 E HN 0.594 nan 8.360 nan 0.000 0.394 220 T N 2.444 116.844 114.554 -0.257 0.000 2.884 220 T HA 0.309 4.659 4.350 -0.000 0.000 0.298 220 T C -0.067 174.503 174.700 -0.217 0.000 0.998 220 T CA -0.037 61.868 62.100 -0.323 0.000 1.124 220 T CB 0.631 69.315 68.868 -0.307 0.000 0.931 220 T HN 0.286 nan 8.240 nan 0.000 0.531 221 R N 2.731 123.105 120.500 -0.211 0.000 2.518 221 R HA 0.201 4.540 4.340 -0.000 0.000 0.287 221 R C -1.013 175.233 176.300 -0.089 0.000 1.135 221 R CA -0.563 55.469 56.100 -0.114 0.000 0.967 221 R CB 1.075 31.332 30.300 -0.073 0.000 1.212 221 R HN 0.648 nan 8.270 nan 0.000 0.422 222 Q N 4.186 123.952 119.800 -0.057 0.000 2.260 222 Q HA 0.553 4.893 4.340 -0.000 0.000 0.238 222 Q C 0.001 176.011 176.000 0.018 0.000 0.948 222 Q CA -0.622 55.166 55.803 -0.024 0.000 0.895 222 Q CB 1.922 30.649 28.738 -0.018 0.000 1.218 222 Q HN 0.630 nan 8.270 nan 0.000 0.470 223 I N -2.365 118.232 120.570 0.045 0.000 2.722 223 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 223 I C -0.898 175.280 176.117 0.101 0.000 1.267 223 I CA -1.115 60.247 61.300 0.102 0.000 1.036 223 I CB 1.955 40.071 38.000 0.192 0.000 1.281 223 I HN 0.397 nan 8.210 nan 0.000 0.423 224 R N 3.296 123.852 120.500 0.093 0.000 2.582 224 R HA 0.807 5.147 4.340 -0.000 0.000 0.271 224 R C -0.391 175.982 176.300 0.122 0.000 1.078 224 R CA -0.373 55.772 56.100 0.075 0.000 1.127 224 R CB 1.521 31.845 30.300 0.039 0.000 1.038 224 R HN 0.881 nan 8.270 nan 0.000 0.500 225 A N 0.330 123.207 122.820 0.095 0.000 2.488 225 A HA 0.452 4.772 4.320 -0.000 0.000 0.295 225 A C 0.439 178.067 177.584 0.074 0.000 1.045 225 A CA -0.452 51.651 52.037 0.111 0.000 0.703 225 A CB 1.696 20.760 19.000 0.106 0.000 1.271 225 A HN 0.796 nan 8.150 nan 0.000 0.400 226 G N 0.265 109.109 108.800 0.074 0.000 2.430 226 G HA2 0.373 4.333 3.960 -0.000 0.000 0.216 226 G HA3 0.373 4.333 3.960 -0.000 0.000 0.216 226 G C 0.233 175.170 174.900 0.062 0.000 1.146 226 G CA 1.236 46.370 45.100 0.055 0.000 0.793 226 G HN 1.083 nan 8.290 nan 0.000 0.537 227 V N 0.789 120.750 119.914 0.079 0.000 2.686 227 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 227 V C -0.999 175.153 176.094 0.097 0.000 1.065 227 V CA -0.701 61.658 62.300 0.099 0.000 0.894 227 V CB 2.201 34.092 31.823 0.114 0.000 1.004 227 V HN 0.108 nan 8.190 nan 0.000 0.424 228 I N 5.311 125.943 120.570 0.104 0.000 2.410 228 I HA 0.494 4.664 4.170 -0.000 0.000 0.286 228 I C -0.744 175.444 176.117 0.118 0.000 1.009 228 I CA -0.338 61.012 61.300 0.083 0.000 1.111 228 I CB 1.860 39.891 38.000 0.051 0.000 1.262 228 I HN 0.443 nan 8.210 nan 0.000 0.443 229 I N 6.896 127.525 120.570 0.099 0.000 2.312 229 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 229 I C -0.103 176.056 176.117 0.070 0.000 1.008 229 I CA -0.733 60.630 61.300 0.105 0.000 1.226 229 I CB 1.606 39.646 38.000 0.067 0.000 1.371 229 I HN 0.214 nan 8.210 nan 0.000 0.468 230 V N 6.931 126.889 119.914 0.073 0.000 2.313 230 V HA 0.225 4.345 4.120 -0.000 0.000 0.252 230 V C 0.942 177.063 176.094 0.045 0.000 1.112 230 V CA -0.090 62.240 62.300 0.050 0.000 0.984 230 V CB 0.667 32.517 31.823 0.046 0.000 1.157 230 V HN 0.873 nan 8.190 nan 0.000 0.493 231 A N 3.941 126.785 122.820 0.040 0.000 3.106 231 A HA 0.660 4.980 4.320 -0.000 0.000 0.306 231 A C 1.456 179.061 177.584 0.035 0.000 1.192 231 A CA 0.334 52.395 52.037 0.040 0.000 0.994 231 A CB 0.233 19.261 19.000 0.045 0.000 1.107 231 A HN 0.870 nan 8.150 nan 0.000 0.585 232 A N -0.462 122.376 122.820 0.030 0.000 2.276 232 A HA 0.486 4.806 4.320 -0.000 0.000 0.212 232 A C 1.562 179.166 177.584 0.034 0.000 1.230 232 A CA 0.973 53.026 52.037 0.028 0.000 0.844 232 A CB -1.004 18.008 19.000 0.020 0.000 0.860 232 A HN 2.073 nan 8.150 nan 0.000 0.486 233 G N -0.629 108.194 108.800 0.039 0.000 2.566 233 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.280 233 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.280 233 G C 1.333 176.263 174.900 0.050 0.000 1.225 233 G CA 0.774 45.905 45.100 0.051 0.000 0.966 233 G HN 1.471 nan 8.290 nan 0.000 0.560 234 A N -0.613 122.256 122.820 0.082 0.000 2.084 234 A HA 0.265 4.585 4.320 -0.000 0.000 0.221 234 A C 2.763 180.362 177.584 0.025 0.000 1.161 234 A CA 3.170 55.259 52.037 0.087 0.000 0.653 234 A CB -0.746 18.361 19.000 0.178 0.000 0.802 234 A HN 2.315 nan 8.150 nan 0.000 0.457 235 A N -0.849 121.975 122.820 0.007 0.000 2.251 235 A HA 0.386 4.706 4.320 -0.000 0.000 0.209 235 A C 2.055 179.638 177.584 -0.002 0.000 1.187 235 A CA 1.061 53.082 52.037 -0.028 0.000 0.823 235 A CB -0.846 18.133 19.000 -0.036 0.000 0.846 235 A HN 0.596 nan 8.150 nan 0.000 0.486 236 G N 1.162 109.972 108.800 0.017 0.000 2.421 236 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 236 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 236 G C -0.263 174.664 174.900 0.045 0.000 1.171 236 G CA 1.176 46.292 45.100 0.026 0.000 0.775 236 G HN 0.467 nan 8.290 nan 0.000 0.543 237 P HA -0.060 nan 4.420 nan 0.000 0.215 237 P C 2.268 179.613 177.300 0.076 0.000 1.157 237 P CA 2.130 65.300 63.100 0.117 0.000 0.868 237 P CB -0.139 31.659 31.700 0.164 0.000 0.788 238 A N -0.846 122.001 122.820 0.046 0.000 1.898 238 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 238 A C 2.142 179.741 177.584 0.024 0.000 1.181 238 A CA 1.365 53.423 52.037 0.036 0.000 0.620 238 A CB -1.715 17.285 19.000 0.000 0.000 0.819 238 A HN 0.124 nan 8.150 nan 0.000 0.442 239 L N 0.656 121.888 121.223 0.014 0.000 1.991 239 L HA -0.233 4.107 4.340 -0.000 0.000 0.221 239 L C 2.587 179.465 176.870 0.014 0.000 1.079 239 L CA 2.886 57.733 54.840 0.011 0.000 0.778 239 L CB -0.628 41.439 42.059 0.014 0.000 0.893 239 L HN 0.442 nan 8.230 nan 0.000 0.437 240 V N -3.075 116.850 119.914 0.019 0.000 2.626 240 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 240 V C 2.367 178.452 176.094 -0.014 0.000 1.067 240 V CA 1.654 63.958 62.300 0.006 0.000 1.081 240 V CB -0.894 30.938 31.823 0.015 0.000 0.686 240 V HN 0.617 nan 8.190 nan 0.000 0.468 241 E N 1.614 121.814 120.200 0.001 0.000 2.016 241 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 241 E C 2.242 178.835 176.600 -0.011 0.000 0.985 241 E CA 1.917 58.309 56.400 -0.013 0.000 0.802 241 E CB -0.579 29.150 29.700 0.049 0.000 0.762 241 E HN 0.752 nan 8.360 nan 0.000 0.448 242 Q N -0.731 119.076 119.800 0.011 0.000 2.369 242 Q HA 0.083 4.422 4.340 -0.000 0.000 0.206 242 Q C 1.843 177.845 176.000 0.003 0.000 0.963 242 Q CA 0.932 56.742 55.803 0.012 0.000 0.894 242 Q CB 0.243 28.991 28.738 0.017 0.000 0.965 242 Q HN 0.416 nan 8.270 nan 0.000 0.475 243 G N 0.021 108.820 108.800 -0.001 0.000 2.576 243 G HA2 0.073 4.033 3.960 -0.000 0.000 0.210 243 G HA3 0.073 4.033 3.960 -0.000 0.000 0.210 243 G C 1.070 175.965 174.900 -0.009 0.000 1.143 243 G CA -0.011 45.090 45.100 0.003 0.000 0.819 243 G HN 0.172 nan 8.290 nan 0.000 0.534 244 L N -0.168 121.038 121.223 -0.028 0.000 3.259 244 L HA 0.350 4.690 4.340 -0.000 0.000 0.292 244 L C 1.594 178.413 176.870 -0.085 0.000 1.219 244 L CA 0.252 55.066 54.840 -0.044 0.000 1.035 244 L CB 0.939 42.975 42.059 -0.038 0.000 1.424 244 L HN 0.266 nan 8.230 nan 0.000 0.603 245 G N 1.330 110.063 108.800 -0.112 0.000 2.203 245 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.263 245 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.263 245 G C 0.177 174.821 174.900 -0.427 0.000 1.012 245 G CA 0.110 45.078 45.100 -0.220 0.000 0.749 245 G HN 0.265 nan 8.290 nan 0.000 0.512 246 L N 2.139 123.193 121.223 -0.282 0.000 2.295 246 L HA 0.345 4.685 4.340 -0.000 0.000 0.288 246 L C 0.614 177.350 176.870 -0.224 0.000 1.079 246 L CA -1.030 53.663 54.840 -0.245 0.000 0.830 246 L CB 0.364 42.365 42.059 -0.098 0.000 1.200 246 L HN 0.151 nan 8.230 nan 0.000 0.438 247 H N 2.125 121.195 119.070 0.000 0.000 2.582 247 H HA 0.432 4.988 4.556 -0.000 0.000 0.345 247 H C 0.320 175.631 175.328 -0.029 0.000 1.104 247 H CA -0.163 55.880 56.048 -0.008 0.000 1.390 247 H CB 1.451 31.204 29.762 -0.015 0.000 1.461 247 H HN 0.600 nan 8.280 nan 0.000 0.551 248 T N -0.931 113.668 114.554 0.075 0.000 2.841 248 T HA 0.433 4.783 4.350 -0.000 0.000 0.296 248 T C 0.751 175.369 174.700 -0.138 0.000 1.166 248 T CA -1.166 60.877 62.100 -0.095 0.000 1.007 248 T CB 2.088 70.875 68.868 -0.135 0.000 1.253 248 T HN 0.584 nan 8.240 nan 0.000 0.511 249 R N -0.733 119.580 120.500 -0.311 0.000 2.362 249 R HA 0.170 4.510 4.340 -0.000 0.000 0.227 249 R C -0.118 176.113 176.300 -0.115 0.000 0.905 249 R CA -0.257 55.740 56.100 -0.171 0.000 1.067 249 R CB -0.261 29.960 30.300 -0.132 0.000 1.078 249 R HN 0.691 nan 8.270 nan 0.000 0.516 250 H N 0.201 119.307 119.070 0.060 0.000 2.871 250 H HA 0.230 4.786 4.556 -0.000 0.000 0.355 250 H C 0.915 176.286 175.328 0.072 0.000 1.092 250 H CA 0.288 56.374 56.048 0.063 0.000 1.420 250 H CB 0.732 30.530 29.762 0.061 0.000 1.400 250 H HN 0.176 nan 8.280 nan 0.000 0.604 251 G N 0.382 109.311 108.800 0.214 0.000 3.042 251 G HA2 0.619 4.579 3.960 -0.000 0.000 0.278 251 G HA3 0.619 4.579 3.960 -0.000 0.000 0.278 251 G C -1.137 173.868 174.900 0.175 0.000 1.371 251 G CA -1.242 43.959 45.100 0.168 0.000 1.009 251 G HN 0.736 nan 8.290 nan 0.000 0.523 252 R N -1.611 119.011 120.500 0.204 0.000 2.698 252 R HA 0.795 5.135 4.340 -0.000 0.000 0.275 252 R C -1.309 175.237 176.300 0.409 0.000 1.001 252 R CA -0.917 55.357 56.100 0.291 0.000 0.896 252 R CB 1.998 32.452 30.300 0.257 0.000 1.218 252 R HN 0.897 nan 8.270 nan 0.000 0.462 253 A N 1.943 125.005 122.820 0.403 0.000 2.414 253 A HA 0.487 4.807 4.320 -0.000 0.000 0.306 253 A C -2.022 175.624 177.584 0.104 0.000 1.054 253 A CA -0.764 51.426 52.037 0.256 0.000 0.724 253 A CB 1.493 20.534 19.000 0.069 0.000 1.267 253 A HN 0.695 nan 8.150 nan 0.000 0.418 254 Y N 2.304 122.354 120.300 -0.416 0.000 2.341 254 Y HA 0.588 5.138 4.550 -0.000 0.000 0.340 254 Y C 0.367 176.002 175.900 -0.441 0.000 0.997 254 Y CA -0.254 57.356 58.100 -0.816 0.000 1.149 254 Y CB 0.683 38.348 38.460 -1.325 0.000 1.171 254 Y HN 0.741 nan 8.280 nan 0.000 0.494 255 R N 5.604 125.604 120.500 -0.833 0.000 2.534 255 R HA 0.410 4.750 4.340 -0.000 0.000 0.301 255 R C -1.226 174.416 176.300 -1.097 0.000 0.961 255 R CA -0.610 54.998 56.100 -0.820 0.000 0.871 255 R CB 1.271 31.173 30.300 -0.664 0.000 1.170 255 R HN 0.821 nan 8.270 nan 0.000 0.446 256 Q N 2.773 122.025 119.800 -0.915 0.000 2.215 256 Q HA 0.333 4.673 4.340 -0.000 0.000 0.256 256 Q C -1.012 174.535 176.000 -0.756 0.000 0.972 256 Q CA -0.503 54.907 55.803 -0.655 0.000 0.889 256 Q CB 1.583 30.111 28.738 -0.350 0.000 1.281 256 Q HN 0.515 nan 8.270 nan 0.000 0.456 257 F N 1.147 120.990 119.950 -0.178 0.000 2.597 257 F HA 0.268 4.795 4.527 -0.000 0.000 0.336 257 F C -2.044 173.707 175.800 -0.082 0.000 1.432 257 F CA -2.024 55.902 58.000 -0.124 0.000 1.120 257 F CB 0.515 39.445 39.000 -0.118 0.000 1.253 257 F HN 0.250 nan 8.300 nan 0.000 0.546 258 P HA -0.023 nan 4.420 nan 0.000 0.267 258 P C -0.156 177.170 177.300 0.043 0.000 1.200 258 P CA -0.126 62.990 63.100 0.026 0.000 0.772 258 P CB 1.191 32.885 31.700 -0.009 0.000 0.855 259 R N 2.344 122.868 120.500 0.041 0.000 2.404 259 R HA 0.443 4.783 4.340 -0.000 0.000 0.291 259 R C -0.853 175.477 176.300 0.051 0.000 1.025 259 R CA -0.852 55.276 56.100 0.047 0.000 0.991 259 R CB 0.418 30.738 30.300 0.033 0.000 1.053 259 R HN 0.386 nan 8.270 nan 0.000 0.479 260 L N 4.503 125.776 121.223 0.084 0.000 2.301 260 L HA 0.281 4.621 4.340 -0.000 0.000 0.278 260 L C -1.041 175.910 176.870 0.135 0.000 1.022 260 L CA -0.129 54.769 54.840 0.097 0.000 0.854 260 L CB 1.472 43.591 42.059 0.100 0.000 1.226 260 L HN 0.627 nan 8.230 nan 0.000 0.429 261 D N 7.103 127.554 120.400 0.085 0.000 2.545 261 D HA 0.215 4.855 4.640 -0.000 0.000 0.227 261 D C -0.525 175.833 176.300 0.097 0.000 1.150 261 D CA 0.513 54.559 54.000 0.075 0.000 1.046 261 D CB 0.185 41.010 40.800 0.041 0.000 1.098 261 D HN 0.405 nan 8.370 nan 0.000 0.502 262 L N 1.340 122.670 121.223 0.178 0.000 2.401 262 L HA 0.239 4.579 4.340 -0.000 0.000 0.266 262 L C -0.123 176.895 176.870 0.246 0.000 0.991 262 L CA -1.295 53.661 54.840 0.192 0.000 0.818 262 L CB 2.570 44.734 42.059 0.175 0.000 1.321 262 L HN 0.029 nan 8.230 nan 0.000 0.413 263 L N 2.508 123.824 121.223 0.156 0.000 2.769 263 L HA -0.073 4.267 4.340 -0.000 0.000 0.293 263 L C 0.127 177.061 176.870 0.107 0.000 1.224 263 L CA 1.244 56.148 54.840 0.106 0.000 0.906 263 L CB 0.111 42.227 42.059 0.095 0.000 1.193 263 L HN 0.704 nan 8.230 nan 0.000 0.488 264 S N 2.989 118.636 115.700 -0.088 0.000 2.564 264 S HA 0.931 5.401 4.470 -0.000 0.000 0.274 264 S C -0.353 174.160 174.600 -0.145 0.000 1.124 264 S CA -0.049 57.988 58.200 -0.271 0.000 0.869 264 S CB 1.500 64.233 63.200 -0.778 0.000 1.105 264 S HN 1.072 nan 8.310 nan 0.000 0.472 265 G N 0.476 109.209 108.800 -0.111 0.000 2.685 265 G HA2 0.649 4.609 3.960 -0.000 0.000 0.298 265 G HA3 0.649 4.609 3.960 -0.000 0.000 0.298 265 G C 0.680 175.539 174.900 -0.068 0.000 1.277 265 G CA -0.178 44.892 45.100 -0.050 0.000 0.986 265 G HN 1.086 nan 8.290 nan 0.000 0.487 266 A N -0.717 122.083 122.820 -0.034 0.000 2.119 266 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 266 A C 1.771 179.339 177.584 -0.027 0.000 1.153 266 A CA 1.715 53.731 52.037 -0.035 0.000 0.692 266 A CB -0.234 18.756 19.000 -0.016 0.000 0.799 266 A HN 0.670 nan 8.150 nan 0.000 0.458 267 Q N -1.215 118.581 119.800 -0.006 0.000 2.171 267 Q HA 0.151 4.491 4.340 -0.000 0.000 0.218 267 Q C 0.220 176.116 176.000 -0.173 0.000 0.822 267 Q CA 0.224 56.021 55.803 -0.009 0.000 0.987 267 Q CB -0.486 28.323 28.738 0.119 0.000 1.144 267 Q HN 0.235 nan 8.270 nan 0.000 0.494 268 T N 3.987 118.438 114.554 -0.172 0.000 2.799 268 T HA 0.213 4.563 4.350 -0.000 0.000 0.296 268 T C -2.208 172.292 174.700 -0.332 0.000 0.947 268 T CA -1.652 60.263 62.100 -0.309 0.000 1.141 268 T CB 0.689 69.520 68.868 -0.062 0.000 0.891 268 T HN 0.133 nan 8.240 nan 0.000 0.533 269 P HA 0.064 nan 4.420 nan 0.000 0.269 269 P C -0.289 176.950 177.300 -0.102 0.000 1.217 269 P CA -0.297 62.623 63.100 -0.299 0.000 0.783 269 P CB 0.436 31.925 31.700 -0.351 0.000 0.898 270 V N 3.040 122.922 119.914 -0.054 0.000 2.686 270 V HA 0.141 4.261 4.120 -0.000 0.000 0.295 270 V C 0.788 176.877 176.094 -0.009 0.000 1.055 270 V CA 0.074 62.370 62.300 -0.006 0.000 1.050 270 V CB 0.165 31.985 31.823 -0.005 0.000 0.984 270 V HN 0.330 nan 8.190 nan 0.000 0.482 271 L N 5.717 126.938 121.223 -0.004 0.000 2.354 271 L HA 0.726 5.066 4.340 -0.000 0.000 0.269 271 L C -0.113 176.731 176.870 -0.044 0.000 1.005 271 L CA -0.663 54.164 54.840 -0.021 0.000 0.819 271 L CB 2.053 44.089 42.059 -0.038 0.000 1.311 271 L HN 0.528 nan 8.230 nan 0.000 0.423 272 R N 1.524 121.992 120.500 -0.053 0.000 2.673 272 R HA 0.893 5.233 4.340 -0.000 0.000 0.281 272 R C -1.443 174.809 176.300 -0.081 0.000 0.991 272 R CA -0.906 55.126 56.100 -0.113 0.000 0.896 272 R CB 2.493 32.658 30.300 -0.226 0.000 1.201 272 R HN 0.727 nan 8.270 nan 0.000 0.457 273 A N 0.547 123.314 122.820 -0.087 0.000 2.517 273 A HA 0.451 4.771 4.320 -0.000 0.000 0.297 273 A C -0.129 177.441 177.584 -0.024 0.000 1.050 273 A CA -0.601 51.428 52.037 -0.015 0.000 0.694 273 A CB 1.613 20.610 19.000 -0.005 0.000 1.277 273 A HN 0.678 nan 8.150 nan 0.000 0.400 274 S N 0.577 116.297 115.700 0.033 0.000 3.365 274 S HA -0.136 4.334 4.470 -0.000 0.000 0.377 274 S C 1.628 176.228 174.600 0.001 0.000 1.043 274 S CA 2.243 60.465 58.200 0.036 0.000 1.101 274 S CB -1.368 61.852 63.200 0.034 0.000 0.900 274 S HN 2.820 nan 8.310 nan 0.000 0.480 275 G N -0.694 108.063 108.800 -0.072 0.000 2.217 275 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.246 275 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.246 275 G C 0.023 174.844 174.900 -0.132 0.000 0.990 275 G CA 0.235 45.270 45.100 -0.108 0.000 0.627 275 G HN 0.904 nan 8.290 nan 0.000 0.522 276 L N 1.524 122.682 121.223 -0.108 0.000 2.379 276 L HA 0.808 5.148 4.340 -0.000 0.000 0.269 276 L C -0.085 176.720 176.870 -0.109 0.000 1.084 276 L CA -0.292 54.482 54.840 -0.109 0.000 0.802 276 L CB 1.613 43.623 42.059 -0.081 0.000 1.175 276 L HN 0.093 nan 8.230 nan 0.000 0.448 277 T N 4.968 119.465 114.554 -0.095 0.000 2.863 277 T HA 0.493 4.843 4.350 -0.000 0.000 0.285 277 T C -0.536 174.143 174.700 -0.035 0.000 1.009 277 T CA -0.409 61.649 62.100 -0.071 0.000 0.989 277 T CB 1.460 70.289 68.868 -0.064 0.000 1.004 277 T HN 0.425 nan 8.240 nan 0.000 0.455 278 L N 3.165 124.378 121.223 -0.018 0.000 2.301 278 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 278 L C 0.061 177.006 176.870 0.126 0.000 1.022 278 L CA -0.898 53.962 54.840 0.034 0.000 0.854 278 L CB 0.944 42.958 42.059 -0.075 0.000 1.226 278 L HN 0.383 nan 8.230 nan 0.000 0.429 279 R N 6.798 127.372 120.500 0.122 0.000 2.230 279 R HA 0.341 4.681 4.340 -0.000 0.000 0.337 279 R C -2.467 173.872 176.300 0.064 0.000 1.063 279 R CA -1.875 54.270 56.100 0.075 0.000 0.935 279 R CB 0.526 30.837 30.300 0.018 0.000 1.121 279 R HN 0.164 nan 8.270 nan 0.000 0.486 280 P HA -0.009 nan 4.420 nan 0.000 0.264 280 P C -1.196 175.984 177.300 -0.200 0.000 1.193 280 P CA 0.204 63.143 63.100 -0.268 0.000 0.763 280 P CB 0.947 32.492 31.700 -0.257 0.000 0.810 281 Q N 2.932 122.592 119.800 -0.234 0.000 2.503 281 Q HA 0.159 4.498 4.340 -0.000 0.000 0.268 281 Q C -0.782 175.135 176.000 -0.139 0.000 0.982 281 Q CA -0.549 55.166 55.803 -0.148 0.000 0.907 281 Q CB 0.913 29.590 28.738 -0.102 0.000 1.467 281 Q HN 0.261 nan 8.270 nan 0.000 0.394 282 N N 1.700 120.335 118.700 -0.107 0.000 2.727 282 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 282 N C 0.474 175.926 175.510 -0.097 0.000 1.048 282 N CA 2.200 55.199 53.050 -0.085 0.000 0.714 282 N CB -1.076 37.371 38.487 -0.066 0.000 0.959 282 N HN 1.046 nan 8.380 nan 0.000 0.544 283 G N -3.440 105.283 108.800 -0.128 0.000 2.189 283 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.267 283 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.267 283 G C 0.626 175.417 174.900 -0.180 0.000 0.975 283 G CA 0.813 45.834 45.100 -0.131 0.000 0.644 283 G HN 0.985 nan 8.290 nan 0.000 0.537 284 G N -1.520 107.140 108.800 -0.233 0.000 3.247 284 G HA2 0.713 4.672 3.960 -0.000 0.000 0.199 284 G HA3 0.713 4.672 3.960 -0.000 0.000 0.199 284 G C -1.228 173.378 174.900 -0.490 0.000 1.172 284 G CA -0.843 44.112 45.100 -0.240 0.000 0.844 284 G HN 0.449 nan 8.290 nan 0.000 0.619 285 Y N -0.993 119.298 120.300 -0.016 0.000 2.492 285 Y HA 0.575 5.125 4.550 -0.000 0.000 0.346 285 Y C -0.046 175.845 175.900 -0.014 0.000 0.997 285 Y CA -0.687 57.401 58.100 -0.019 0.000 1.025 285 Y CB 2.710 41.158 38.460 -0.020 0.000 1.263 285 Y HN 0.345 nan 8.280 nan 0.000 0.454 286 T N 4.037 118.668 114.554 0.130 0.000 2.771 286 T HA 0.391 4.740 4.350 -0.000 0.000 0.281 286 T C -0.787 173.972 174.700 0.098 0.000 0.982 286 T CA -0.571 61.583 62.100 0.091 0.000 0.978 286 T CB 0.585 69.484 68.868 0.053 0.000 0.930 286 T HN 0.479 nan 8.240 nan 0.000 0.447 287 L N 4.954 126.221 121.223 0.074 0.000 2.281 287 L HA 0.510 4.849 4.340 -0.000 0.000 0.285 287 L C -0.766 176.098 176.870 -0.010 0.000 1.074 287 L CA -0.458 54.392 54.840 0.018 0.000 0.817 287 L CB 0.466 42.516 42.059 -0.014 0.000 1.168 287 L HN 0.381 nan 8.230 nan 0.000 0.434 288 V N 7.165 127.057 119.914 -0.038 0.000 2.257 288 V HA 0.314 4.434 4.120 -0.000 0.000 0.269 288 V C -2.017 173.960 176.094 -0.195 0.000 1.040 288 V CA -1.627 60.611 62.300 -0.104 0.000 0.813 288 V CB 0.686 32.508 31.823 -0.001 0.000 1.065 288 V HN 0.715 nan 8.190 nan 0.000 0.457 289 P HA 0.186 nan 4.420 nan 0.000 0.269 289 P C -0.085 177.035 177.300 -0.301 0.000 1.217 289 P CA 0.181 63.116 63.100 -0.276 0.000 0.783 289 P CB 0.633 32.144 31.700 -0.316 0.000 0.898 290 A N 2.362 124.988 122.820 -0.324 0.000 2.286 290 A HA 0.498 4.818 4.320 -0.000 0.000 0.286 290 A C -0.234 177.014 177.584 -0.559 0.000 1.097 290 A CA -0.307 51.493 52.037 -0.394 0.000 0.821 290 A CB 0.000 18.766 19.000 -0.390 0.000 1.076 290 A HN 0.392 nan 8.150 nan 0.000 0.490 291 I N 2.754 123.054 120.570 -0.450 0.000 2.330 291 I HA 0.206 4.376 4.170 -0.000 0.000 0.286 291 I C 0.548 176.437 176.117 -0.380 0.000 1.025 291 I CA -0.165 60.893 61.300 -0.403 0.000 1.197 291 I CB 0.234 38.099 38.000 -0.224 0.000 1.358 291 I HN 0.729 nan 8.210 nan 0.000 0.467 292 H N 5.139 124.075 119.070 -0.224 0.000 2.448 292 H HA 0.056 4.612 4.556 -0.000 0.000 0.292 292 H C 0.139 175.434 175.328 -0.056 0.000 1.035 292 H CA 0.920 56.885 56.048 -0.138 0.000 1.349 292 H CB 0.353 30.045 29.762 -0.117 0.000 1.425 292 H HN 0.759 nan 8.280 nan 0.000 0.539 293 H N -1.919 117.194 119.070 0.070 0.000 2.967 293 H HA 0.397 4.953 4.556 -0.000 0.000 0.318 293 H C -0.326 175.017 175.328 0.026 0.000 1.375 293 H CA -1.304 54.770 56.048 0.043 0.000 1.132 293 H CB 0.845 30.631 29.762 0.040 0.000 1.848 293 H HN 0.047 nan 8.280 nan 0.000 0.524 294 R N 0.561 121.221 120.500 0.267 0.000 2.582 294 R HA 0.386 4.726 4.340 -0.000 0.000 0.271 294 R C -1.113 175.356 176.300 0.281 0.000 1.078 294 R CA -0.605 55.624 56.100 0.216 0.000 1.127 294 R CB 0.532 30.934 30.300 0.171 0.000 1.038 294 R HN 0.547 nan 8.270 nan 0.000 0.500 295 D N 3.053 123.598 120.400 0.242 0.000 2.210 295 D HA 0.249 4.889 4.640 -0.000 0.000 0.249 295 D C -1.911 174.523 176.300 0.222 0.000 1.078 295 D CA -1.345 52.767 54.000 0.187 0.000 0.875 295 D CB 1.473 42.465 40.800 0.321 0.000 1.175 295 D HN 0.475 nan 8.370 nan 0.000 0.440 296 P HA -0.073 nan 4.420 nan 0.000 0.269 296 P C 0.976 178.426 177.300 0.249 0.000 1.217 296 P CA -0.120 63.086 63.100 0.177 0.000 0.783 296 P CB 1.146 32.924 31.700 0.131 0.000 0.898 297 H N 1.793 120.927 119.070 0.107 0.000 2.289 297 H HA -0.118 4.438 4.556 -0.000 0.000 0.296 297 H C 0.915 176.298 175.328 0.091 0.000 1.091 297 H CA 2.193 58.281 56.048 0.067 0.000 1.274 297 H CB -0.591 29.192 29.762 0.035 0.000 1.364 297 H HN 0.566 nan 8.280 nan 0.000 0.490 298 G N -0.116 108.895 108.800 0.351 0.000 3.161 298 G HA2 0.278 4.238 3.960 -0.000 0.000 0.293 298 G HA3 0.278 4.238 3.960 -0.000 0.000 0.293 298 G C -1.460 173.602 174.900 0.269 0.000 0.893 298 G CA -0.273 44.984 45.100 0.261 0.000 1.756 298 G HN 0.386 nan 8.290 nan 0.000 0.549 299 Y N 1.459 121.871 120.300 0.187 0.000 2.386 299 Y HA 0.465 5.015 4.550 -0.000 0.000 0.334 299 Y C -0.787 175.360 175.900 0.412 0.000 1.002 299 Y CA -1.476 56.771 58.100 0.246 0.000 1.068 299 Y CB 1.282 39.909 38.460 0.278 0.000 1.203 299 Y HN 0.455 nan 8.280 nan 0.000 0.443 300 H N 7.316 126.034 119.070 -0.586 0.000 2.638 300 H HA 0.313 4.869 4.556 -0.000 0.000 0.317 300 H C -2.336 172.470 175.328 -0.869 0.000 1.006 300 H CA -2.337 53.388 56.048 -0.538 0.000 1.222 300 H CB 1.566 31.183 29.762 -0.241 0.000 1.419 300 H HN 0.492 nan 8.280 nan 0.000 0.489 301 P HA 0.009 nan 4.420 nan 0.000 0.263 301 P C -0.280 176.894 177.300 -0.210 0.000 1.195 301 P CA 0.206 62.995 63.100 -0.519 0.000 0.762 301 P CB 1.666 32.989 31.700 -0.629 0.000 0.799 302 A N 3.517 126.305 122.820 -0.054 0.000 1.949 302 A HA 0.595 4.915 4.320 -0.000 0.000 0.200 302 A C 1.000 178.611 177.584 0.044 0.000 1.832 302 A CA 0.837 52.874 52.037 0.001 0.000 1.004 302 A CB -0.639 18.372 19.000 0.019 0.000 1.102 302 A HN 0.774 nan 8.150 nan 0.000 0.595 303 G N -1.253 107.593 108.800 0.076 0.000 2.954 303 G HA2 0.419 4.379 3.960 -0.000 0.000 0.672 303 G HA3 0.419 4.379 3.960 -0.000 0.000 0.672 303 G C 0.874 175.801 174.900 0.046 0.000 1.598 303 G CA 0.243 45.385 45.100 0.069 0.000 1.063 303 G HN 2.505 nan 8.290 nan 0.000 0.584 304 G N -1.394 107.430 108.800 0.038 0.000 2.673 304 G HA2 0.509 4.468 3.960 -0.000 0.000 0.566 304 G HA3 0.509 4.468 3.960 -0.000 0.000 0.566 304 G C -0.200 174.716 174.900 0.026 0.000 1.170 304 G CA 0.351 45.467 45.100 0.028 0.000 1.242 304 G HN 1.999 nan 8.290 nan 0.000 0.568 305 S N 0.438 116.151 115.700 0.022 0.000 2.640 305 S HA 0.198 4.668 4.470 -0.000 0.000 0.163 305 S C -0.605 174.003 174.600 0.014 0.000 0.936 305 S CA -0.556 57.655 58.200 0.019 0.000 1.081 305 S CB 0.401 63.614 63.200 0.023 0.000 1.720 305 S HN 1.279 nan 8.310 nan 0.000 0.488 306 L N 2.691 123.921 121.223 0.011 0.000 2.276 306 L HA 0.612 4.952 4.340 -0.000 0.000 0.286 306 L C 0.727 177.600 176.870 0.006 0.000 1.024 306 L CA 0.632 55.476 54.840 0.008 0.000 0.826 306 L CB 0.782 42.844 42.059 0.006 0.000 1.211 306 L HN 0.429 nan 8.230 nan 0.000 0.422 307 T N 4.122 118.679 114.554 0.005 0.000 3.639 307 T HA -0.185 4.165 4.350 -0.000 0.000 0.386 307 T C 1.120 175.823 174.700 0.005 0.000 0.764 307 T CA 1.682 63.784 62.100 0.004 0.000 1.954 307 T CB -1.632 67.237 68.868 0.003 0.000 1.755 307 T HN 2.107 nan 8.240 nan 0.000 0.715 308 G N -1.143 107.661 108.800 0.006 0.000 2.162 308 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.260 308 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.260 308 G C 0.140 175.044 174.900 0.007 0.000 0.976 308 G CA 0.165 45.269 45.100 0.007 0.000 0.655 308 G HN 1.581 nan 8.290 nan 0.000 0.533 309 V N 1.743 121.661 119.914 0.008 0.000 2.588 309 V HA 0.602 4.722 4.120 -0.000 0.000 0.304 309 V C -1.948 174.152 176.094 0.010 0.000 1.042 309 V CA -1.746 60.559 62.300 0.008 0.000 0.877 309 V CB 2.396 34.223 31.823 0.007 0.000 0.996 309 V HN 0.166 nan 8.190 nan 0.000 0.425 310 P HA 0.254 nan 4.420 nan 0.000 0.282 310 P C -0.329 176.979 177.300 0.013 0.000 1.274 310 P CA 0.260 63.369 63.100 0.014 0.000 0.770 310 P CB 1.212 32.920 31.700 0.013 0.000 0.867 311 T N -0.487 114.076 114.554 0.015 0.000 2.762 311 T HA 0.586 4.936 4.350 -0.000 0.000 0.272 311 T C 1.181 175.892 174.700 0.018 0.000 0.982 311 T CA -0.284 61.825 62.100 0.015 0.000 1.013 311 T CB 1.118 69.993 68.868 0.012 0.000 1.309 311 T HN 0.228 nan 8.240 nan 0.000 0.572 312 G N -0.287 108.523 108.800 0.018 0.000 3.088 312 G HA2 0.383 4.343 3.960 -0.000 0.000 0.217 312 G HA3 0.383 4.343 3.960 -0.000 0.000 0.217 312 G C -0.038 174.879 174.900 0.027 0.000 1.159 312 G CA -0.219 44.895 45.100 0.024 0.000 0.760 312 G HN 0.486 nan 8.290 nan 0.000 0.550 313 L N 1.155 122.389 121.223 0.018 0.000 2.334 313 L HA 0.443 4.783 4.340 -0.000 0.000 0.277 313 L C 0.742 177.630 176.870 0.030 0.000 1.075 313 L CA -0.710 54.137 54.840 0.011 0.000 0.804 313 L CB 1.138 43.193 42.059 -0.007 0.000 1.174 313 L HN 0.047 nan 8.230 nan 0.000 0.438 314 R N 1.466 121.990 120.500 0.040 0.000 2.734 314 R HA 0.089 4.429 4.340 -0.000 0.000 0.266 314 R C 1.338 177.671 176.300 0.054 0.000 1.044 314 R CA -0.275 55.870 56.100 0.075 0.000 1.128 314 R CB 0.390 30.752 30.300 0.103 0.000 1.010 314 R HN 0.525 nan 8.270 nan 0.000 0.461 315 R N 2.129 122.671 120.500 0.070 0.000 2.113 315 R HA -0.258 4.082 4.340 -0.000 0.000 0.244 315 R C 1.189 177.514 176.300 0.043 0.000 1.142 315 R CA 2.101 58.233 56.100 0.053 0.000 0.953 315 R CB -0.011 30.326 30.300 0.061 0.000 0.860 315 R HN 0.670 nan 8.270 nan 0.000 0.438 316 E N 0.480 120.713 120.200 0.054 0.000 2.085 316 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 316 E C 2.121 178.748 176.600 0.046 0.000 0.994 316 E CA 1.277 57.711 56.400 0.057 0.000 0.801 316 E CB -0.157 29.593 29.700 0.083 0.000 0.743 316 E HN 0.415 nan 8.360 nan 0.000 0.453 317 L N 0.666 121.898 121.223 0.015 0.000 2.056 317 L HA -0.185 4.154 4.340 -0.000 0.000 0.207 317 L C 2.239 179.107 176.870 -0.004 0.000 1.078 317 L CA 0.568 55.400 54.840 -0.013 0.000 0.749 317 L CB -0.053 41.973 42.059 -0.054 0.000 0.901 317 L HN 0.182 nan 8.230 nan 0.000 0.433 318 L N 0.276 121.501 121.223 0.003 0.000 2.012 318 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 318 L C 2.542 179.414 176.870 0.003 0.000 1.073 318 L CA 1.832 56.674 54.840 0.003 0.000 0.748 318 L CB -1.052 41.013 42.059 0.010 0.000 0.891 318 L HN 0.327 nan 8.230 nan 0.000 0.431 319 E N -0.892 119.312 120.200 0.007 0.000 2.051 319 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 319 E C 1.798 178.398 176.600 -0.001 0.000 0.991 319 E CA 1.194 57.594 56.400 -0.000 0.000 0.799 319 E CB -0.198 29.498 29.700 -0.006 0.000 0.748 319 E HN 0.509 nan 8.360 nan 0.000 0.449 320 D N 1.101 121.510 120.400 0.014 0.000 2.104 320 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 320 D C 2.193 178.496 176.300 0.004 0.000 0.994 320 D CA 0.936 54.951 54.000 0.025 0.000 0.830 320 D CB -0.250 40.592 40.800 0.069 0.000 0.959 320 D HN 0.146 nan 8.370 nan 0.000 0.452 321 L N 0.570 121.790 121.223 -0.005 0.000 2.012 321 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 321 L C 2.684 179.548 176.870 -0.011 0.000 1.073 321 L CA 0.753 55.585 54.840 -0.013 0.000 0.748 321 L CB -0.594 41.455 42.059 -0.016 0.000 0.891 321 L HN -0.058 nan 8.230 nan 0.000 0.431 322 V N 0.343 120.252 119.914 -0.008 0.000 2.392 322 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 322 V C 2.497 178.586 176.094 -0.008 0.000 1.059 322 V CA 2.048 64.344 62.300 -0.008 0.000 1.051 322 V CB -1.231 30.588 31.823 -0.006 0.000 0.658 322 V HN 0.608 nan 8.190 nan 0.000 0.455 323 G N -1.356 107.440 108.800 -0.008 0.000 2.598 323 G HA2 0.072 4.032 3.960 -0.000 0.000 0.215 323 G HA3 0.072 4.032 3.960 -0.000 0.000 0.215 323 G C 0.625 175.521 174.900 -0.006 0.000 1.131 323 G CA 0.169 45.264 45.100 -0.008 0.000 0.785 323 G HN 0.378 nan 8.290 nan 0.000 0.539 327 A N 1.133 123.947 122.820 -0.010 0.000 1.933 327 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 327 A C 1.249 178.823 177.584 -0.017 0.000 1.175 327 A CA 1.422 53.454 52.037 -0.009 0.000 0.628 327 A CB 0.030 19.027 19.000 -0.005 0.000 0.814 327 A HN 0.144 nan 8.150 nan 0.000 0.444 328 V N 0.359 120.258 119.914 -0.024 0.000 2.260 328 V HA 0.187 4.307 4.120 -0.000 0.000 0.263 328 V C -2.029 174.042 176.094 -0.039 0.000 1.036 328 V CA -0.852 61.425 62.300 -0.039 0.000 0.874 328 V CB 0.966 32.758 31.823 -0.052 0.000 1.116 328 V HN 0.190 nan 8.190 nan 0.000 0.454 329 P HA -0.258 nan 4.420 nan 0.000 0.218 329 P C 1.745 179.026 177.300 -0.031 0.000 1.150 329 P CA 1.926 65.011 63.100 -0.025 0.000 0.841 329 P CB 0.309 31.997 31.700 -0.019 0.000 0.784 330 A N -1.249 121.543 122.820 -0.047 0.000 2.076 330 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 330 A C 1.816 179.373 177.584 -0.046 0.000 1.160 330 A CA 1.400 53.404 52.037 -0.054 0.000 0.653 330 A CB -1.427 17.514 19.000 -0.100 0.000 0.801 330 A HN 0.121 nan 8.150 nan 0.000 0.455 331 L N -1.609 119.587 121.223 -0.045 0.000 2.552 331 L HA 0.149 4.488 4.340 -0.000 0.000 0.227 331 L C 2.249 179.105 176.870 -0.022 0.000 1.146 331 L CA 1.283 56.102 54.840 -0.035 0.000 0.858 331 L CB -0.381 41.656 42.059 -0.037 0.000 0.969 331 L HN 0.386 nan 8.230 nan 0.000 0.451 332 A N -1.773 121.036 122.820 -0.019 0.000 2.431 332 A HA 0.592 4.912 4.320 -0.000 0.000 0.239 332 A C 1.407 178.986 177.584 -0.008 0.000 1.230 332 A CA 0.401 52.431 52.037 -0.012 0.000 0.928 332 A CB -0.256 18.738 19.000 -0.011 0.000 1.006 332 A HN 0.318 nan 8.150 nan 0.000 0.520 333 G N 0.263 109.057 108.800 -0.009 0.000 2.714 333 G HA2 0.343 4.303 3.960 -0.000 0.000 0.197 333 G HA3 0.343 4.303 3.960 -0.000 0.000 0.197 333 G C 0.615 175.515 174.900 0.000 0.000 1.449 333 G CA 0.447 45.545 45.100 -0.003 0.000 1.065 333 G HN 0.394 nan 8.290 nan 0.000 0.575 334 E N -0.598 119.605 120.200 0.004 0.000 2.474 334 E HA 0.154 4.504 4.350 -0.000 0.000 0.194 334 E C 1.998 178.605 176.600 0.012 0.000 1.041 334 E CA 0.548 56.952 56.400 0.008 0.000 0.874 334 E CB -0.037 29.669 29.700 0.009 0.000 0.914 334 E HN 0.435 nan 8.360 nan 0.000 0.498 335 G N 2.297 111.105 108.800 0.013 0.000 2.459 335 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 335 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 335 G C 0.866 175.780 174.900 0.023 0.000 1.183 335 G CA 0.153 45.267 45.100 0.024 0.000 0.776 335 G HN 0.200 nan 8.290 nan 0.000 0.552 336 L N 1.598 122.828 121.223 0.013 0.000 2.513 336 L HA 0.095 4.435 4.340 -0.000 0.000 0.272 336 L C -0.062 176.815 176.870 0.011 0.000 1.187 336 L CA -0.044 54.802 54.840 0.011 0.000 0.895 336 L CB 0.552 42.611 42.059 -0.001 0.000 1.147 336 L HN 0.328 nan 8.230 nan 0.000 0.483 337 E N 5.318 125.526 120.200 0.014 0.000 2.001 337 E HA 0.062 4.412 4.350 -0.000 0.000 0.279 337 E C 0.118 176.724 176.600 0.009 0.000 1.045 337 E CA -0.520 55.888 56.400 0.013 0.000 0.833 337 E CB 1.284 30.994 29.700 0.016 0.000 1.077 337 E HN 0.480 nan 8.360 nan 0.000 0.397 338 L N 2.309 123.537 121.223 0.007 0.000 2.307 338 L HA 0.118 4.458 4.340 -0.000 0.000 0.211 338 L C 1.175 178.050 176.870 0.009 0.000 1.099 338 L CA 1.163 56.006 54.840 0.006 0.000 0.816 338 L CB -0.857 41.205 42.059 0.005 0.000 0.952 338 L HN 0.798 nan 8.230 nan 0.000 0.455 339 G N -0.267 108.540 108.800 0.011 0.000 2.888 339 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.441 339 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.441 339 G C 0.688 175.595 174.900 0.012 0.000 1.461 339 G CA 0.252 45.360 45.100 0.012 0.000 0.897 339 G HN 0.226 nan 8.290 nan 0.000 0.547 340 R N 0.218 120.726 120.500 0.013 0.000 2.087 340 R HA 0.328 4.668 4.340 -0.000 0.000 0.216 340 R C 1.694 178.003 176.300 0.014 0.000 1.114 340 R CA 1.394 57.501 56.100 0.012 0.000 1.002 340 R CB -0.021 30.285 30.300 0.011 0.000 0.903 340 R HN 0.959 nan 8.270 nan 0.000 0.445 341 S N -1.720 113.989 115.700 0.016 0.000 2.667 341 S HA 0.183 4.653 4.470 -0.000 0.000 0.292 341 S C 0.621 175.234 174.600 0.022 0.000 1.126 341 S CA -0.715 57.495 58.200 0.017 0.000 0.881 341 S CB 1.694 64.902 63.200 0.013 0.000 1.132 341 S HN -0.019 nan 8.310 nan 0.000 0.492 342 S N 0.258 115.973 115.700 0.025 0.000 2.440 342 S HA -0.107 4.363 4.470 -0.000 0.000 0.238 342 S C 1.857 176.483 174.600 0.044 0.000 1.010 342 S CA 1.403 59.628 58.200 0.041 0.000 0.972 342 S CB -1.125 62.094 63.200 0.032 0.000 0.774 342 S HN 1.025 nan 8.310 nan 0.000 0.501 343 A N 0.964 123.799 122.820 0.025 0.000 2.015 343 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 343 A C 1.693 179.294 177.584 0.029 0.000 1.163 343 A CA 1.432 53.484 52.037 0.024 0.000 0.646 343 A CB -0.346 18.661 19.000 0.012 0.000 0.806 343 A HN 0.597 nan 8.150 nan 0.000 0.448 344 D N -0.610 119.806 120.400 0.027 0.000 2.340 344 D HA 0.126 4.766 4.640 -0.000 0.000 0.220 344 D C -0.198 176.120 176.300 0.029 0.000 1.039 344 D CA 0.411 54.425 54.000 0.024 0.000 0.866 344 D CB 0.457 41.268 40.800 0.018 0.000 0.913 344 D HN 0.175 nan 8.370 nan 0.000 0.523 345 V N 2.660 122.597 119.914 0.039 0.000 2.357 345 V HA 0.222 4.342 4.120 -0.000 0.000 0.284 345 V C -2.209 173.921 176.094 0.059 0.000 1.018 345 V CA -1.823 60.502 62.300 0.041 0.000 0.841 345 V CB 1.574 33.416 31.823 0.031 0.000 0.991 345 V HN -0.168 nan 8.190 nan 0.000 0.437 346 P HA 0.273 nan 4.420 nan 0.000 0.260 346 P C 0.199 177.570 177.300 0.119 0.000 1.185 346 P CA 0.675 63.825 63.100 0.082 0.000 0.763 346 P CB 0.425 32.169 31.700 0.072 0.000 0.776 347 G N 1.251 110.114 108.800 0.105 0.000 2.692 347 G HA2 0.756 4.716 3.960 -0.000 0.000 0.291 347 G HA3 0.756 4.716 3.960 -0.000 0.000 0.291 347 G C -1.935 172.993 174.900 0.046 0.000 1.423 347 G CA -0.408 44.650 45.100 -0.071 0.000 0.843 347 G HN 0.593 nan 8.290 nan 0.000 0.486 348 A N -0.627 122.116 122.820 -0.128 0.000 2.612 348 A HA 0.722 5.042 4.320 -0.000 0.000 0.293 348 A C -2.251 175.384 177.584 0.085 0.000 1.075 348 A CA -0.791 51.330 52.037 0.139 0.000 0.680 348 A CB 0.885 19.982 19.000 0.161 0.000 1.279 348 A HN 0.708 nan 8.150 nan 0.000 0.411 349 W N 0.703 122.162 121.300 0.264 0.000 2.361 349 W HA 0.618 5.278 4.660 -0.000 0.000 0.309 349 W C -0.638 175.961 176.519 0.133 0.000 1.122 349 W CA -0.024 57.459 57.345 0.231 0.000 1.208 349 W CB 1.440 31.012 29.460 0.188 0.000 1.246 349 W HN 0.453 nan 8.180 nan 0.000 0.490 350 L N 3.458 124.874 121.223 0.322 0.000 2.334 350 L HA 0.668 5.008 4.340 -0.000 0.000 0.276 350 L C 0.508 177.501 176.870 0.204 0.000 1.014 350 L CA -0.817 54.147 54.840 0.208 0.000 0.815 350 L CB 1.340 43.474 42.059 0.125 0.000 1.268 350 L HN 0.508 nan 8.230 nan 0.000 0.428 351 A N 2.763 125.670 122.820 0.146 0.000 2.407 351 A HA 0.608 4.928 4.320 -0.000 0.000 0.248 351 A C -0.729 176.913 177.584 0.097 0.000 1.082 351 A CA -0.122 51.984 52.037 0.115 0.000 0.785 351 A CB 0.183 19.218 19.000 0.057 0.000 1.020 351 A HN 0.520 nan 8.150 nan 0.000 0.489 352 L N 3.706 124.995 121.223 0.109 0.000 2.353 352 L HA 0.405 4.745 4.340 -0.000 0.000 0.270 352 L C -2.371 174.572 176.870 0.122 0.000 1.003 352 L CA -1.573 53.328 54.840 0.102 0.000 0.862 352 L CB 1.670 43.799 42.059 0.116 0.000 1.221 352 L HN 0.378 nan 8.230 nan 0.000 0.430 353 P HA 0.219 nan 4.420 nan 0.000 0.267 353 P C 0.843 178.286 177.300 0.238 0.000 1.205 353 P CA 0.327 63.515 63.100 0.147 0.000 0.765 353 P CB 0.835 32.571 31.700 0.060 0.000 0.828 354 G N 3.161 112.204 108.800 0.406 0.000 2.186 354 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.266 354 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.266 354 G C 0.973 175.943 174.900 0.116 0.000 0.982 354 G CA 0.729 45.932 45.100 0.171 0.000 0.670 354 G HN 1.043 nan 8.290 nan 0.000 0.533 355 G N -1.502 107.384 108.800 0.144 0.000 2.162 355 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 355 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 355 G C 0.342 175.298 174.900 0.095 0.000 0.976 355 G CA 0.999 46.167 45.100 0.114 0.000 0.655 355 G HN 1.022 nan 8.290 nan 0.000 0.533 356 R N 0.462 121.014 120.500 0.087 0.000 2.202 356 R HA 0.382 4.722 4.340 -0.000 0.000 0.334 356 R C -1.405 174.928 176.300 0.054 0.000 1.036 356 R CA -1.779 54.360 56.100 0.066 0.000 0.878 356 R CB 1.137 31.471 30.300 0.058 0.000 1.067 356 R HN 0.045 nan 8.270 nan 0.000 0.457 357 P HA -0.193 nan 4.420 nan 0.000 0.220 357 P C 0.168 177.467 177.300 -0.000 0.000 1.144 357 P CA 1.281 64.388 63.100 0.012 0.000 0.800 357 P CB 0.221 31.916 31.700 -0.008 0.000 0.772 358 D N -2.071 118.335 120.400 0.010 0.000 2.462 358 D HA 0.191 4.831 4.640 -0.000 0.000 0.221 358 D C 0.200 176.507 176.300 0.012 0.000 1.173 358 D CA -0.458 53.543 54.000 0.002 0.000 0.831 358 D CB -0.344 40.458 40.800 0.002 0.000 1.001 358 D HN -0.035 nan 8.370 nan 0.000 0.499 359 A N 1.946 124.781 122.820 0.025 0.000 2.354 359 A HA 0.555 4.875 4.320 -0.000 0.000 0.269 359 A C -2.173 175.427 177.584 0.027 0.000 1.109 359 A CA -1.068 50.989 52.037 0.033 0.000 0.800 359 A CB 0.587 19.619 19.000 0.054 0.000 1.045 359 A HN 0.103 nan 8.150 nan 0.000 0.489 360 P HA 0.380 nan 4.420 nan 0.000 0.282 360 P C -2.804 174.514 177.300 0.029 0.000 1.287 360 P CA -1.696 61.419 63.100 0.023 0.000 0.792 360 P CB -0.333 31.380 31.700 0.022 0.000 1.163 361 P HA 0.142 nan 4.420 nan 0.000 0.269 361 P C -0.593 176.725 177.300 0.030 0.000 1.215 361 P CA 0.478 63.601 63.100 0.038 0.000 0.780 361 P CB 0.208 31.945 31.700 0.062 0.000 0.898 362 Q N 0.705 120.516 119.800 0.018 0.000 2.687 362 Q HA 0.836 5.176 4.340 -0.000 0.000 0.295 362 Q C -2.137 173.872 176.000 0.015 0.000 0.920 362 Q CA -1.275 54.539 55.803 0.019 0.000 0.766 362 Q CB 1.364 30.118 28.738 0.027 0.000 1.467 362 Q HN 0.362 nan 8.270 nan 0.000 0.415 363 A N 0.562 123.399 122.820 0.029 0.000 2.515 363 A HA 0.872 5.192 4.320 -0.000 0.000 0.296 363 A C -1.634 175.999 177.584 0.081 0.000 1.094 363 A CA -0.212 51.854 52.037 0.048 0.000 0.718 363 A CB 2.032 21.052 19.000 0.034 0.000 1.307 363 A HN 0.866 nan 8.150 nan 0.000 0.408 364 E N 0.314 120.587 120.200 0.122 0.000 2.380 364 E HA 0.399 4.749 4.350 -0.000 0.000 0.281 364 E C -1.439 175.230 176.600 0.116 0.000 0.999 364 E CA -0.686 55.786 56.400 0.121 0.000 0.800 364 E CB 1.424 31.188 29.700 0.107 0.000 1.228 364 E HN 0.537 nan 8.360 nan 0.000 0.436 365 E N 3.106 123.335 120.200 0.047 0.000 2.035 365 E HA 0.201 4.551 4.350 -0.000 0.000 0.271 365 E C 0.295 176.835 176.600 -0.101 0.000 0.953 365 E CA -0.290 56.009 56.400 -0.168 0.000 0.777 365 E CB 0.690 30.257 29.700 -0.222 0.000 1.104 365 E HN 0.585 nan 8.360 nan 0.000 0.408 366 L N 2.899 124.071 121.223 -0.085 0.000 2.551 366 L HA 0.192 4.532 4.340 -0.000 0.000 0.228 366 L C 0.665 177.498 176.870 -0.061 0.000 1.153 366 L CA 0.293 55.108 54.840 -0.042 0.000 0.851 366 L CB -0.186 41.865 42.059 -0.014 0.000 0.959 366 L HN 0.460 nan 8.230 nan 0.000 0.451 367 A N -1.633 121.127 122.820 -0.101 0.000 2.549 367 A HA 0.511 4.831 4.320 -0.000 0.000 0.291 367 A C -2.792 174.725 177.584 -0.113 0.000 1.034 367 A CA -0.947 51.040 52.037 -0.082 0.000 0.655 367 A CB 0.283 19.246 19.000 -0.062 0.000 1.299 367 A HN -0.244 nan 8.150 nan 0.000 0.427 368 P HA 0.263 nan 4.420 nan 0.000 0.256 368 P C 1.116 178.371 177.300 -0.074 0.000 1.173 368 P CA 2.630 65.691 63.100 -0.064 0.000 0.768 368 P CB 0.316 31.997 31.700 -0.032 0.000 0.758 369 G N 2.292 111.037 108.800 -0.091 0.000 2.189 369 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 369 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 369 G C -0.186 174.657 174.900 -0.096 0.000 0.975 369 G CA -0.102 44.974 45.100 -0.039 0.000 0.644 369 G HN 0.564 nan 8.290 nan 0.000 0.537 370 L N 1.377 122.452 121.223 -0.247 0.000 2.298 370 L HA 0.800 5.139 4.340 -0.000 0.000 0.284 370 L C -0.320 176.326 176.870 -0.374 0.000 1.013 370 L CA -1.316 53.408 54.840 -0.192 0.000 0.824 370 L CB 0.917 42.915 42.059 -0.102 0.000 1.221 370 L HN 0.236 nan 8.230 nan 0.000 0.418 371 H N 4.255 123.336 119.070 0.017 0.000 2.524 371 H HA 0.631 5.186 4.556 -0.000 0.000 0.353 371 H C -1.118 174.222 175.328 0.021 0.000 1.136 371 H CA -0.675 55.384 56.048 0.018 0.000 1.193 371 H CB 2.017 31.787 29.762 0.013 0.000 1.558 371 H HN 0.528 nan 8.280 nan 0.000 0.515 372 L N 3.580 124.881 121.223 0.130 0.000 2.294 372 L HA 0.366 4.706 4.340 -0.000 0.000 0.283 372 L C -1.597 175.306 176.870 0.055 0.000 1.015 372 L CA -0.801 54.086 54.840 0.077 0.000 0.831 372 L CB 0.649 42.749 42.059 0.070 0.000 1.217 372 L HN 0.504 nan 8.230 nan 0.000 0.420 373 L N 5.905 127.154 121.223 0.043 0.000 2.264 373 L HA 0.597 4.937 4.340 -0.000 0.000 0.289 373 L C -1.316 175.552 176.870 -0.003 0.000 1.044 373 L CA -0.043 54.814 54.840 0.029 0.000 0.807 373 L CB 1.111 43.198 42.059 0.047 0.000 1.192 373 L HN 0.554 nan 8.230 nan 0.000 0.425 374 L N 4.728 125.936 121.223 -0.025 0.000 2.365 374 L HA 0.714 5.054 4.340 -0.000 0.000 0.273 374 L C 0.724 177.596 176.870 0.004 0.000 1.000 374 L CA 0.119 54.933 54.840 -0.043 0.000 0.819 374 L CB 1.686 43.659 42.059 -0.143 0.000 1.284 374 L HN 0.698 nan 8.230 nan 0.000 0.418 375 G N 0.988 109.803 108.800 0.026 0.000 2.548 375 G HA2 0.567 4.527 3.960 -0.000 0.000 0.221 375 G HA3 0.567 4.527 3.960 -0.000 0.000 0.221 375 G C 0.321 175.247 174.900 0.044 0.000 1.796 375 G CA 0.361 45.491 45.100 0.051 0.000 0.889 375 G HN 1.131 nan 8.290 nan 0.000 0.599 376 G N -0.836 107.994 108.800 0.050 0.000 2.655 376 G HA2 0.003 3.963 3.960 -0.000 0.000 0.680 376 G HA3 0.003 3.963 3.960 -0.000 0.000 0.680 376 G C -1.916 173.009 174.900 0.041 0.000 1.302 376 G CA -0.052 45.075 45.100 0.046 0.000 0.872 376 G HN 0.329 nan 8.290 nan 0.000 0.540 377 P HA 0.008 nan 4.420 nan 0.000 0.222 377 P C 1.541 178.840 177.300 -0.001 0.000 1.142 377 P CA 1.057 64.162 63.100 0.008 0.000 0.788 377 P CB 0.004 31.694 31.700 -0.016 0.000 0.767 378 L N -2.748 118.479 121.223 0.006 0.000 2.808 378 L HA 0.297 4.637 4.340 -0.000 0.000 0.246 378 L C 2.035 178.920 176.870 0.025 0.000 1.153 378 L CA -0.022 54.814 54.840 -0.007 0.000 0.956 378 L CB -0.395 41.653 42.059 -0.019 0.000 1.270 378 L HN -0.114 nan 8.230 nan 0.000 0.528 379 A N 0.349 123.201 122.820 0.053 0.000 2.032 379 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 379 A C 1.790 179.462 177.584 0.147 0.000 1.165 379 A CA 1.951 54.045 52.037 0.096 0.000 0.645 379 A CB -0.285 18.771 19.000 0.094 0.000 0.807 379 A HN 0.374 nan 8.150 nan 0.000 0.453 380 D N -0.986 119.489 120.400 0.124 0.000 2.219 380 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 380 D C 1.582 178.058 176.300 0.292 0.000 0.970 380 D CA 1.766 55.902 54.000 0.227 0.000 0.851 380 D CB -0.245 40.600 40.800 0.075 0.000 0.943 380 D HN 0.450 nan 8.370 nan 0.000 0.488 381 T N -0.140 114.458 114.554 0.072 0.000 3.040 381 T HA 0.182 4.532 4.350 -0.000 0.000 0.252 381 T C 1.787 176.552 174.700 0.109 0.000 1.064 381 T CA 0.195 62.216 62.100 -0.132 0.000 1.110 381 T CB 0.651 69.219 68.868 -0.499 0.000 0.921 381 T HN 0.063 nan 8.240 nan 0.000 0.480 382 L N -0.113 121.187 121.223 0.128 0.000 3.086 382 L HA 0.419 4.759 4.340 -0.000 0.000 0.274 382 L C 2.430 179.413 176.870 0.189 0.000 1.184 382 L CA -0.112 54.826 54.840 0.164 0.000 1.002 382 L CB -0.045 42.066 42.059 0.087 0.000 1.383 382 L HN 0.218 nan 8.230 nan 0.000 0.582 383 G N 1.282 110.203 108.800 0.201 0.000 2.480 383 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 383 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 383 G C 1.443 176.495 174.900 0.253 0.000 1.200 383 G CA 0.863 46.083 45.100 0.199 0.000 0.782 383 G HN 0.187 nan 8.290 nan 0.000 0.554 384 L N 0.813 122.233 121.223 0.329 0.000 2.012 384 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 384 L C 3.485 180.644 176.870 0.481 0.000 1.073 384 L CA 1.202 56.332 54.840 0.483 0.000 0.748 384 L CB -0.579 41.793 42.059 0.522 0.000 0.891 384 L HN 0.326 nan 8.230 nan 0.000 0.431 385 A N 0.098 123.171 122.820 0.420 0.000 1.892 385 A HA -0.279 4.040 4.320 -0.000 0.000 0.218 385 A C 2.492 180.069 177.584 -0.013 0.000 1.188 385 A CA 2.197 54.309 52.037 0.125 0.000 0.631 385 A CB -0.829 18.280 19.000 0.181 0.000 0.822 385 A HN 0.455 nan 8.150 nan 0.000 0.447 386 A N -0.724 122.141 122.820 0.075 0.000 1.969 386 A HA 0.262 4.582 4.320 -0.000 0.000 0.218 386 A C 2.409 180.017 177.584 0.040 0.000 1.169 386 A CA 1.820 53.877 52.037 0.034 0.000 0.635 386 A CB -0.753 18.282 19.000 0.057 0.000 0.810 386 A HN 1.050 nan 8.150 nan 0.000 0.445 387 A N -1.530 121.371 122.820 0.135 0.000 1.970 387 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 387 A C 2.085 179.762 177.584 0.156 0.000 1.170 387 A CA 1.430 53.585 52.037 0.196 0.000 0.645 387 A CB -0.808 18.403 19.000 0.352 0.000 0.816 387 A HN 0.746 nan 8.150 nan 0.000 0.447 388 H N -0.814 118.170 119.070 -0.145 0.000 2.395 388 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 388 H C 2.026 177.113 175.328 -0.401 0.000 1.070 388 H CA 1.458 57.174 56.048 -0.555 0.000 1.356 388 H CB 0.033 29.079 29.762 -1.193 0.000 1.401 388 H HN 0.491 nan 8.280 nan 0.000 0.524 389 E N 1.003 120.970 120.200 -0.389 0.000 2.077 389 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 389 E C 2.408 178.842 176.600 -0.276 0.000 0.989 389 E CA 0.778 56.970 56.400 -0.347 0.000 0.800 389 E CB -0.231 29.343 29.700 -0.211 0.000 0.746 389 E HN 0.418 nan 8.360 nan 0.000 0.452 390 L N 0.817 121.924 121.223 -0.192 0.000 2.093 390 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 390 L C 2.286 179.024 176.870 -0.221 0.000 1.085 390 L CA 2.152 56.879 54.840 -0.189 0.000 0.755 390 L CB -0.808 41.173 42.059 -0.130 0.000 0.904 390 L HN 0.088 nan 8.230 nan 0.000 0.435 391 A N -1.050 121.657 122.820 -0.189 0.000 1.902 391 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 391 A C 2.200 179.654 177.584 -0.217 0.000 1.181 391 A CA 1.806 53.751 52.037 -0.153 0.000 0.623 391 A CB -0.576 18.395 19.000 -0.047 0.000 0.818 391 A HN 0.639 nan 8.150 nan 0.000 0.443 392 Q N -0.698 118.894 119.800 -0.347 0.000 2.030 392 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 392 Q C 2.428 178.312 176.000 -0.193 0.000 0.986 392 Q CA 1.778 57.399 55.803 -0.304 0.000 0.843 392 Q CB -0.215 28.281 28.738 -0.403 0.000 0.904 392 Q HN 0.612 nan 8.270 nan 0.000 0.420 393 R N -0.201 120.185 120.500 -0.191 0.000 2.081 393 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 393 R C 2.327 178.558 176.300 -0.115 0.000 1.131 393 R CA 1.391 57.412 56.100 -0.133 0.000 0.960 393 R CB -0.393 29.834 30.300 -0.121 0.000 0.856 393 R HN 0.128 nan 8.270 nan 0.000 0.436 394 V N 0.236 120.051 119.914 -0.166 0.000 2.358 394 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 394 V C 2.414 178.470 176.094 -0.064 0.000 1.047 394 V CA 2.027 64.251 62.300 -0.127 0.000 1.035 394 V CB -0.387 31.333 31.823 -0.172 0.000 0.658 394 V HN 0.360 nan 8.190 nan 0.000 0.452 395 S N -0.225 115.428 115.700 -0.077 0.000 2.382 395 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 395 S C 2.117 176.693 174.600 -0.041 0.000 1.027 395 S CA 1.603 59.771 58.200 -0.053 0.000 0.991 395 S CB -0.267 62.893 63.200 -0.066 0.000 0.823 395 S HN 0.605 nan 8.310 nan 0.000 0.469 396 A N 1.330 124.119 122.820 -0.052 0.000 1.873 396 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 396 A C 2.229 179.801 177.584 -0.019 0.000 1.186 396 A CA 1.917 53.932 52.037 -0.037 0.000 0.616 396 A CB -1.195 17.778 19.000 -0.045 0.000 0.823 396 A HN 0.857 nan 8.150 nan 0.000 0.442 397 S N -1.374 114.319 115.700 -0.012 0.000 2.805 397 S HA 0.161 4.631 4.470 -0.000 0.000 0.230 397 S C 0.873 175.479 174.600 0.010 0.000 0.968 397 S CA 0.896 59.100 58.200 0.006 0.000 0.976 397 S CB -0.119 63.097 63.200 0.027 0.000 0.787 397 S HN 0.209 nan 8.310 nan 0.000 0.533 398 L N 0.155 121.379 121.223 0.002 0.000 2.840 398 L HA 0.483 4.823 4.340 -0.000 0.000 0.249 398 L C 0.745 177.616 176.870 0.001 0.000 1.119 398 L CA 0.419 55.262 54.840 0.005 0.000 0.930 398 L CB 0.218 42.281 42.059 0.006 0.000 1.295 398 L HN 0.271 nan 8.230 nan 0.000 0.534 399 E N 0.000 120.197 120.200 -0.005 0.000 2.725 399 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 399 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 399 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 399 E HN 0.000 nan 8.360 nan 0.000 0.440