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 3no9_1_A DATA FIRST_RESID 7 DATA SEQUENCE SANYRIEHDT MGEVRVPAKA LWRAQTQRAV ENFPISGRGL ERTQIRALGL DATA SEQUENCE LKGACAQVNS DLGLLAPEKA DAIIAAAAEI ADGQHDDQFP IDVFQTGSGT DATA SEQUENCE SSNMNTNEVI ASIAAKGGVT LHPNDDVNMS QSSNDTFPTA THIAATEAAV DATA SEQUENCE AHLIPALQQL HDALAAKALD WHTVVKSGRT HLMDAVPVTL GQEFSGYARQ DATA SEQUENCE IEAGIERVRA CLPRLGELAI GGTAVGTGLN APDDFGVRVV AVLVAQTGLS DATA SEQUENCE ELRTAANSFE AQAARDGLVE ASGALRTIAV SLTKIANDIR WMGSGPLTGL DATA SEQUENCE AEIQLPDLQP XXXXXXGKVN PVLPEAVTQV AAQVIGNDAA IAWGGANGAF DATA SEQUENCE ELNVYIPMMA RNILESFKLL TNVSRLFAQR CIAGLTANVE HLRRLAESSP DATA SEQUENCE SIVTPLNSAI GYEEAAAVAK QALKERKTIR QTVIDRGLIG DXLSIEDLDR DATA SEQUENCE RLDVLAMAKA 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.490 174.600 -0.184 0.000 1.055 7 S CA 0.000 58.209 58.200 0.015 0.000 1.107 7 S CB 0.000 63.314 63.200 0.190 0.000 0.593 8 A N 1.976 124.581 122.820 -0.359 0.000 2.521 8 A HA 0.398 4.717 4.320 -0.001 0.000 0.237 8 A C 0.368 177.449 177.584 -0.839 0.000 1.087 8 A CA -0.047 51.688 52.037 -0.503 0.000 0.777 8 A CB -0.706 18.045 19.000 -0.415 0.000 1.035 8 A HN 0.900 nan 8.150 nan 0.000 0.510 9 N N 0.494 118.904 118.700 -0.483 0.000 2.256 9 N HA 0.087 4.827 4.740 -0.001 0.000 0.277 9 N C -1.317 173.997 175.510 -0.327 0.000 1.362 9 N CA 1.114 53.971 53.050 -0.322 0.000 0.861 9 N CB -0.393 37.991 38.487 -0.173 0.000 1.136 9 N HN 0.455 nan 8.380 nan 0.000 0.492 10 Y N 0.981 121.265 120.300 -0.027 0.000 2.628 10 Y HA 0.242 4.792 4.550 -0.001 0.000 0.354 10 Y C 0.714 176.593 175.900 -0.035 0.000 1.061 10 Y CA -1.038 57.044 58.100 -0.030 0.000 1.251 10 Y CB 0.202 38.656 38.460 -0.011 0.000 1.098 10 Y HN 0.389 nan 8.280 nan 0.000 0.626 11 R N 1.935 122.495 120.500 0.100 0.000 2.644 11 R HA 0.083 4.423 4.340 -0.001 0.000 0.265 11 R C -0.776 175.543 176.300 0.031 0.000 0.985 11 R CA 0.521 56.641 56.100 0.034 0.000 1.097 11 R CB 0.363 30.655 30.300 -0.013 0.000 0.931 11 R HN 0.628 nan 8.270 nan 0.000 0.419 12 I N 1.942 122.520 120.570 0.013 0.000 2.525 12 I HA 0.313 4.483 4.170 -0.001 0.000 0.301 12 I C -0.109 176.002 176.117 -0.009 0.000 0.992 12 I CA -0.493 60.809 61.300 0.004 0.000 1.162 12 I CB 1.870 39.874 38.000 0.007 0.000 1.332 12 I HN 0.727 nan 8.210 nan 0.000 0.458 13 E N 2.069 122.263 120.200 -0.011 0.000 2.390 13 E HA 0.536 4.886 4.350 -0.001 0.000 0.277 13 E C -1.466 175.128 176.600 -0.010 0.000 0.939 13 E CA -0.605 55.786 56.400 -0.013 0.000 0.769 13 E CB 1.682 31.372 29.700 -0.016 0.000 1.251 13 E HN 0.744 nan 8.360 nan 0.000 0.450 14 H N 1.870 120.932 119.070 -0.012 0.000 2.762 14 H HA 0.349 4.904 4.556 -0.001 0.000 0.310 14 H C -1.200 174.122 175.328 -0.011 0.000 1.004 14 H CA -0.809 55.233 56.048 -0.010 0.000 1.267 14 H CB 1.165 30.922 29.762 -0.009 0.000 1.437 14 H HN 0.492 nan 8.280 nan 0.000 0.498 15 D N 2.199 122.594 120.400 -0.009 0.000 2.225 15 D HA 0.100 4.740 4.640 -0.001 0.000 0.249 15 D C 1.961 178.257 176.300 -0.006 0.000 1.052 15 D CA 0.471 54.467 54.000 -0.007 0.000 0.909 15 D CB 1.432 42.229 40.800 -0.005 0.000 1.186 15 D HN 0.512 nan 8.370 nan 0.000 0.431 16 T N 1.202 115.754 114.554 -0.002 0.000 2.792 16 T HA -0.329 4.020 4.350 -0.001 0.000 0.268 16 T C 1.923 176.621 174.700 -0.003 0.000 1.059 16 T CA 1.611 63.710 62.100 -0.001 0.000 1.136 16 T CB -0.381 68.489 68.868 0.004 0.000 0.846 16 T HN 0.550 nan 8.240 nan 0.000 0.489 17 M N 0.900 120.497 119.600 -0.006 0.000 2.099 17 M HA 0.242 4.721 4.480 -0.001 0.000 0.262 17 M C 1.337 177.630 176.300 -0.010 0.000 1.067 17 M CA 1.888 57.183 55.300 -0.009 0.000 1.124 17 M CB -0.172 32.420 32.600 -0.012 0.000 1.353 17 M HN 0.616 nan 8.290 nan 0.000 0.410 18 G N -1.162 107.632 108.800 -0.011 0.000 2.512 18 G HA2 0.086 4.046 3.960 -0.001 0.000 0.181 18 G HA3 0.086 4.046 3.960 -0.001 0.000 0.181 18 G C -1.598 173.295 174.900 -0.012 0.000 1.173 18 G CA -0.727 44.366 45.100 -0.011 0.000 0.988 18 G HN 0.175 nan 8.290 nan 0.000 0.485 19 E N -0.503 119.689 120.200 -0.013 0.000 2.283 19 E HA 0.591 4.941 4.350 -0.001 0.000 0.271 19 E C -1.231 175.358 176.600 -0.019 0.000 1.031 19 E CA -0.387 56.005 56.400 -0.014 0.000 0.868 19 E CB 2.044 31.736 29.700 -0.012 0.000 1.094 19 E HN 0.788 nan 8.360 nan 0.000 0.401 20 V N 3.495 123.397 119.914 -0.019 0.000 2.966 20 V HA 0.303 4.423 4.120 -0.001 0.000 0.288 20 V C -1.782 174.291 176.094 -0.036 0.000 1.380 20 V CA -0.652 61.632 62.300 -0.027 0.000 0.966 20 V CB 1.879 33.694 31.823 -0.013 0.000 1.115 20 V HN 0.638 nan 8.190 nan 0.000 0.436 21 R N 4.837 125.289 120.500 -0.080 0.000 2.275 21 R HA 0.634 4.973 4.340 -0.001 0.000 0.326 21 R C -0.580 175.612 176.300 -0.180 0.000 0.973 21 R CA -0.441 55.581 56.100 -0.130 0.000 0.854 21 R CB 1.769 31.931 30.300 -0.230 0.000 1.156 21 R HN 0.702 nan 8.270 nan 0.000 0.487 22 V N 1.178 121.055 119.914 -0.062 0.000 2.532 22 V HA 0.546 4.666 4.120 -0.001 0.000 0.295 22 V C -2.419 173.694 176.094 0.031 0.000 1.041 22 V CA -2.931 59.351 62.300 -0.031 0.000 0.926 22 V CB 1.457 33.221 31.823 -0.099 0.000 0.992 22 V HN 0.475 nan 8.190 nan 0.000 0.457 23 P HA 0.065 nan 4.420 nan 0.000 0.266 23 P C 0.715 177.990 177.300 -0.042 0.000 1.186 23 P CA 0.940 64.159 63.100 0.198 0.000 0.767 23 P CB 0.607 32.361 31.700 0.090 0.000 0.820 24 A N 3.984 126.792 122.820 -0.021 0.000 1.969 24 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 24 A C 1.607 179.119 177.584 -0.121 0.000 1.169 24 A CA 1.878 53.871 52.037 -0.073 0.000 0.635 24 A CB -0.866 18.095 19.000 -0.066 0.000 0.810 24 A HN 0.633 nan 8.150 nan 0.000 0.445 25 K N 0.004 120.329 120.400 -0.127 0.000 2.476 25 K HA 0.497 4.817 4.320 -0.001 0.000 0.196 25 K C 0.295 176.765 176.600 -0.215 0.000 1.025 25 K CA 0.650 56.863 56.287 -0.123 0.000 1.138 25 K CB -0.277 32.185 32.500 -0.064 0.000 0.860 25 K HN 0.225 nan 8.250 nan 0.000 0.515 26 A N 1.048 123.627 122.820 -0.401 0.000 2.328 26 A HA 0.412 4.732 4.320 -0.001 0.000 0.284 26 A C 0.375 177.630 177.584 -0.548 0.000 1.160 26 A CA -0.737 50.839 52.037 -0.768 0.000 0.818 26 A CB 0.219 18.233 19.000 -1.642 0.000 1.087 26 A HN 0.400 nan 8.150 nan 0.000 0.504 27 L N 0.967 121.968 121.223 -0.370 0.000 2.567 27 L HA 0.119 4.459 4.340 -0.001 0.000 0.225 27 L C 0.811 177.595 176.870 -0.143 0.000 1.119 27 L CA -0.314 54.401 54.840 -0.208 0.000 0.871 27 L CB -0.337 41.640 42.059 -0.137 0.000 1.036 27 L HN 0.928 nan 8.230 nan 0.000 0.459 28 W N 0.799 122.021 121.300 -0.130 0.000 2.141 28 W HA 0.575 5.234 4.660 -0.001 0.000 0.354 28 W C 0.274 176.740 176.519 -0.089 0.000 1.297 28 W CA -1.083 56.178 57.345 -0.141 0.000 1.380 28 W CB 0.272 29.637 29.460 -0.160 0.000 1.168 28 W HN -0.242 nan 8.180 nan 0.000 0.639 29 R N 0.141 120.802 120.500 0.268 0.000 3.121 29 R HA 0.614 4.953 4.340 -0.001 0.000 0.242 29 R C 1.427 177.844 176.300 0.195 0.000 1.402 29 R CA -0.500 55.683 56.100 0.139 0.000 1.042 29 R CB 0.536 30.859 30.300 0.039 0.000 1.410 29 R HN 0.598 nan 8.270 nan 0.000 0.494 30 A N 0.856 123.730 122.820 0.090 0.000 1.896 30 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 30 A C 1.899 179.517 177.584 0.058 0.000 1.206 30 A CA 1.723 53.801 52.037 0.068 0.000 0.647 30 A CB -0.693 18.321 19.000 0.023 0.000 0.828 30 A HN 0.589 nan 8.150 nan 0.000 0.455 31 Q N -0.828 118.996 119.800 0.039 0.000 2.077 31 Q HA -0.169 4.171 4.340 -0.001 0.000 0.206 31 Q C 2.274 178.279 176.000 0.007 0.000 0.989 31 Q CA 2.192 58.007 55.803 0.020 0.000 0.853 31 Q CB -1.230 27.520 28.738 0.019 0.000 0.907 31 Q HN 0.724 nan 8.270 nan 0.000 0.418 32 T N 1.180 115.741 114.554 0.011 0.000 2.746 32 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 32 T C 1.873 176.473 174.700 -0.167 0.000 1.039 32 T CA 1.650 63.685 62.100 -0.108 0.000 1.142 32 T CB -0.157 68.597 68.868 -0.189 0.000 0.866 32 T HN 0.213 nan 8.240 nan 0.000 0.444 33 Q N 0.792 120.587 119.800 -0.007 0.000 2.124 33 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 33 Q C 2.398 178.380 176.000 -0.031 0.000 0.977 33 Q CA 1.351 57.173 55.803 0.032 0.000 0.850 33 Q CB -0.060 28.795 28.738 0.195 0.000 0.901 33 Q HN 0.206 nan 8.270 nan 0.000 0.429 34 R N -0.178 120.305 120.500 -0.028 0.000 2.070 34 R HA -0.049 4.290 4.340 -0.001 0.000 0.233 34 R C 2.168 178.410 176.300 -0.097 0.000 1.137 34 R CA 1.391 57.455 56.100 -0.061 0.000 0.945 34 R CB -1.312 28.958 30.300 -0.049 0.000 0.845 34 R HN 0.391 nan 8.270 nan 0.000 0.430 35 A N 0.745 123.532 122.820 -0.056 0.000 1.978 35 A HA -0.119 4.201 4.320 -0.001 0.000 0.220 35 A C 2.493 180.087 177.584 0.017 0.000 1.170 35 A CA 1.590 53.638 52.037 0.019 0.000 0.636 35 A CB -0.515 18.552 19.000 0.111 0.000 0.810 35 A HN 0.124 nan 8.150 nan 0.000 0.448 36 V N -0.275 119.597 119.914 -0.070 0.000 2.427 36 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 36 V C 2.324 178.379 176.094 -0.065 0.000 1.051 36 V CA 2.250 64.503 62.300 -0.078 0.000 1.048 36 V CB -0.669 31.061 31.823 -0.156 0.000 0.666 36 V HN 0.661 nan 8.190 nan 0.000 0.456 37 E N 0.074 120.217 120.200 -0.095 0.000 2.216 37 E HA -0.127 4.223 4.350 -0.001 0.000 0.192 37 E C 1.903 178.399 176.600 -0.173 0.000 0.988 37 E CA 1.123 57.460 56.400 -0.105 0.000 0.834 37 E CB -0.158 29.485 29.700 -0.095 0.000 0.772 37 E HN 0.704 nan 8.360 nan 0.000 0.479 38 N N -0.389 118.126 118.700 -0.308 0.000 2.354 38 N HA -0.031 4.709 4.740 -0.001 0.000 0.179 38 N C -0.188 174.894 175.510 -0.714 0.000 1.021 38 N CA 0.486 53.179 53.050 -0.594 0.000 0.887 38 N CB 0.277 38.221 38.487 -0.905 0.000 0.974 38 N HN 0.024 nan 8.380 nan 0.000 0.437 39 F N 0.487 120.421 119.950 -0.026 0.000 2.597 39 F HA 0.320 4.847 4.527 -0.000 0.000 0.336 39 F C -2.312 173.488 175.800 0.000 0.000 1.432 39 F CA -2.285 55.710 58.000 -0.007 0.000 1.120 39 F CB 0.875 39.875 39.000 0.001 0.000 1.253 39 F HN -0.180 nan 8.300 nan 0.000 0.546 40 P HA 0.247 nan 4.420 nan 0.000 0.244 40 P C 0.581 177.925 177.300 0.074 0.000 1.769 40 P CA 0.505 63.647 63.100 0.070 0.000 1.102 40 P CB 0.474 32.187 31.700 0.021 0.000 1.937 41 I N 1.022 121.658 120.570 0.111 0.000 3.345 41 I HA -0.051 4.118 4.170 -0.001 0.000 0.258 41 I C 2.085 178.235 176.117 0.055 0.000 1.134 41 I CA 0.852 62.196 61.300 0.074 0.000 1.457 41 I CB -0.084 37.975 38.000 0.098 0.000 1.425 41 I HN 0.173 nan 8.210 nan 0.000 0.461 42 S N -0.065 115.718 115.700 0.139 0.000 2.514 42 S HA 0.239 4.709 4.470 -0.001 0.000 0.223 42 S C 1.676 176.338 174.600 0.103 0.000 1.046 42 S CA 0.612 58.897 58.200 0.142 0.000 0.914 42 S CB 0.893 64.285 63.200 0.320 0.000 0.807 42 S HN 0.576 nan 8.310 nan 0.000 0.497 43 G N 1.674 110.531 108.800 0.096 0.000 2.148 43 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.254 43 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.254 43 G C -0.001 174.937 174.900 0.063 0.000 0.981 43 G CA 0.370 45.511 45.100 0.067 0.000 0.670 43 G HN 0.832 nan 8.290 nan 0.000 0.528 44 R N 0.166 120.710 120.500 0.074 0.000 2.494 44 R HA 0.614 4.954 4.340 -0.001 0.000 0.305 44 R C 0.827 177.144 176.300 0.029 0.000 0.959 44 R CA 0.106 56.237 56.100 0.051 0.000 0.864 44 R CB 0.882 31.216 30.300 0.057 0.000 1.159 44 R HN 0.287 nan 8.270 nan 0.000 0.446 45 G N 3.230 112.043 108.800 0.023 0.000 2.641 45 G HA2 0.318 4.277 3.960 -0.001 0.000 0.239 45 G HA3 0.318 4.277 3.960 -0.001 0.000 0.239 45 G C -0.352 174.552 174.900 0.007 0.000 1.402 45 G CA -0.964 44.145 45.100 0.016 0.000 1.046 45 G HN 0.468 nan 8.290 nan 0.000 0.565 46 L N 0.867 122.106 121.223 0.027 0.000 2.456 46 L HA 0.160 4.500 4.340 -0.001 0.000 0.272 46 L C 0.502 177.356 176.870 -0.028 0.000 1.189 46 L CA -0.486 54.356 54.840 0.003 0.000 0.846 46 L CB 0.552 42.614 42.059 0.006 0.000 1.111 46 L HN 0.353 nan 8.230 nan 0.000 0.475 47 E N 2.378 122.551 120.200 -0.045 0.000 2.398 47 E HA 0.029 4.379 4.350 -0.001 0.000 0.263 47 E C 1.029 177.577 176.600 -0.088 0.000 1.046 47 E CA 0.025 56.391 56.400 -0.056 0.000 0.908 47 E CB 0.736 30.402 29.700 -0.056 0.000 0.963 47 E HN 0.402 nan 8.360 nan 0.000 0.431 48 R N 0.572 121.026 120.500 -0.077 0.000 2.096 48 R HA -0.188 4.152 4.340 -0.001 0.000 0.240 48 R C 2.154 178.385 176.300 -0.114 0.000 1.139 48 R CA 2.029 58.074 56.100 -0.092 0.000 0.952 48 R CB -0.516 29.748 30.300 -0.061 0.000 0.854 48 R HN 0.504 nan 8.270 nan 0.000 0.436 49 T N 0.022 114.509 114.554 -0.111 0.000 2.849 49 T HA -0.211 4.139 4.350 -0.001 0.000 0.270 49 T C 1.812 176.430 174.700 -0.136 0.000 1.066 49 T CA 1.458 63.485 62.100 -0.122 0.000 1.130 49 T CB -0.012 68.771 68.868 -0.142 0.000 0.864 49 T HN 0.304 nan 8.240 nan 0.000 0.481 50 Q N -0.634 119.078 119.800 -0.147 0.000 2.163 50 Q HA 0.122 4.461 4.340 -0.001 0.000 0.198 50 Q C 2.259 178.135 176.000 -0.206 0.000 0.954 50 Q CA 0.855 56.553 55.803 -0.174 0.000 0.851 50 Q CB -0.027 28.619 28.738 -0.153 0.000 0.928 50 Q HN 0.584 nan 8.270 nan 0.000 0.459 51 I N 0.224 120.642 120.570 -0.253 0.000 2.252 51 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 51 I C 2.584 178.544 176.117 -0.261 0.000 1.102 51 I CA 1.070 62.123 61.300 -0.412 0.000 1.385 51 I CB -0.319 37.335 38.000 -0.577 0.000 1.064 51 I HN 0.185 nan 8.210 nan 0.000 0.414 52 R N 1.681 122.080 120.500 -0.170 0.000 2.083 52 R HA -0.207 4.133 4.340 -0.001 0.000 0.237 52 R C 2.337 178.587 176.300 -0.084 0.000 1.137 52 R CA 1.839 57.880 56.100 -0.098 0.000 0.951 52 R CB -0.330 29.926 30.300 -0.073 0.000 0.851 52 R HN 0.331 nan 8.270 nan 0.000 0.434 53 A N 1.157 123.913 122.820 -0.106 0.000 1.902 53 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 53 A C 2.244 179.782 177.584 -0.077 0.000 1.181 53 A CA 1.227 53.208 52.037 -0.094 0.000 0.623 53 A CB -0.516 18.410 19.000 -0.123 0.000 0.818 53 A HN 0.383 nan 8.150 nan 0.000 0.443 54 L N -0.647 120.523 121.223 -0.089 0.000 2.083 54 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 54 L C 2.825 179.701 176.870 0.010 0.000 1.083 54 L CA 1.084 55.907 54.840 -0.030 0.000 0.752 54 L CB -0.718 41.338 42.059 -0.006 0.000 0.899 54 L HN 0.502 nan 8.230 nan 0.000 0.433 55 G N 0.107 108.904 108.800 -0.004 0.000 2.480 55 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.216 55 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.216 55 G C 1.569 176.481 174.900 0.021 0.000 1.200 55 G CA 0.813 45.930 45.100 0.029 0.000 0.782 55 G HN 0.241 nan 8.290 nan 0.000 0.554 56 L N -0.323 120.899 121.223 -0.003 0.000 2.013 56 L HA -0.127 4.213 4.340 -0.001 0.000 0.212 56 L C 2.748 179.615 176.870 -0.004 0.000 1.073 56 L CA 0.949 55.784 54.840 -0.008 0.000 0.753 56 L CB -0.586 41.458 42.059 -0.024 0.000 0.890 56 L HN 0.234 nan 8.230 nan 0.000 0.432 57 L N -0.300 120.920 121.223 -0.005 0.000 2.017 57 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 57 L C 2.585 179.474 176.870 0.031 0.000 1.073 57 L CA 1.813 56.655 54.840 0.003 0.000 0.745 57 L CB -0.593 41.468 42.059 0.004 0.000 0.894 57 L HN 0.065 nan 8.230 nan 0.000 0.432 58 K N -0.060 120.370 120.400 0.050 0.000 2.057 58 K HA -0.045 4.274 4.320 -0.001 0.000 0.207 58 K C 2.054 178.690 176.600 0.061 0.000 1.049 58 K CA 1.278 57.608 56.287 0.072 0.000 0.931 58 K CB -1.202 31.348 32.500 0.083 0.000 0.714 58 K HN 0.527 nan 8.250 nan 0.000 0.440 59 G N 1.102 109.928 108.800 0.043 0.000 2.421 59 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.216 59 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.216 59 G C 1.731 176.643 174.900 0.020 0.000 1.171 59 G CA 1.296 46.416 45.100 0.033 0.000 0.775 59 G HN 0.381 nan 8.290 nan 0.000 0.543 60 A N -0.004 122.816 122.820 0.000 0.000 1.908 60 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 60 A C 2.596 180.157 177.584 -0.038 0.000 1.181 60 A CA 1.866 53.883 52.037 -0.033 0.000 0.627 60 A CB -1.076 17.887 19.000 -0.062 0.000 0.818 60 A HN 0.427 nan 8.150 nan 0.000 0.445 61 C N -1.139 118.167 119.300 0.010 0.000 2.429 61 C HA 0.032 4.491 4.460 -0.001 0.000 0.277 61 C C 3.337 178.421 174.990 0.158 0.000 1.262 61 C CA 0.845 59.931 59.018 0.113 0.000 1.733 61 C CB -1.356 26.532 27.740 0.247 0.000 2.010 61 C HN 0.707 nan 8.230 nan 0.000 0.483 62 A N -0.057 122.825 122.820 0.104 0.000 1.902 62 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 62 A C 2.060 179.685 177.584 0.068 0.000 1.181 62 A CA 2.118 54.209 52.037 0.089 0.000 0.623 62 A CB -0.742 18.298 19.000 0.066 0.000 0.818 62 A HN 0.596 nan 8.150 nan 0.000 0.443 63 Q N 0.101 119.925 119.800 0.040 0.000 2.077 63 Q HA -0.147 4.193 4.340 -0.001 0.000 0.206 63 Q C 1.835 177.850 176.000 0.025 0.000 0.989 63 Q CA 2.582 58.398 55.803 0.021 0.000 0.853 63 Q CB -0.680 28.057 28.738 -0.003 0.000 0.907 63 Q HN 0.335 nan 8.270 nan 0.000 0.418 64 V N 1.057 120.982 119.914 0.018 0.000 2.379 64 V HA -0.195 3.924 4.120 -0.001 0.000 0.245 64 V C 2.023 178.199 176.094 0.135 0.000 1.044 64 V CA 1.747 64.061 62.300 0.024 0.000 1.036 64 V CB -0.749 30.995 31.823 -0.131 0.000 0.664 64 V HN 0.424 nan 8.190 nan 0.000 0.453 65 N N 0.149 118.977 118.700 0.213 0.000 2.104 65 N HA -0.174 4.565 4.740 -0.001 0.000 0.190 65 N C 2.188 177.755 175.510 0.095 0.000 1.024 65 N CA 1.903 55.061 53.050 0.181 0.000 0.853 65 N CB -0.430 38.149 38.487 0.154 0.000 1.008 65 N HN 0.468 nan 8.380 nan 0.000 0.424 66 S N 0.885 116.629 115.700 0.074 0.000 2.356 66 S HA -0.123 4.346 4.470 -0.001 0.000 0.223 66 S C 1.292 175.916 174.600 0.041 0.000 1.032 66 S CA 1.212 59.440 58.200 0.048 0.000 1.005 66 S CB -0.244 62.979 63.200 0.038 0.000 0.867 66 S HN 0.157 nan 8.310 nan 0.000 0.449 67 D N 1.323 121.748 120.400 0.040 0.000 2.158 67 D HA -0.088 4.552 4.640 -0.001 0.000 0.197 67 D C 1.561 177.882 176.300 0.036 0.000 0.995 67 D CA 1.084 55.103 54.000 0.031 0.000 0.846 67 D CB -0.362 40.451 40.800 0.022 0.000 0.941 67 D HN 0.434 nan 8.370 nan 0.000 0.456 68 L N -0.468 120.787 121.223 0.053 0.000 2.612 68 L HA 0.191 4.530 4.340 -0.001 0.000 0.230 68 L C 1.258 178.151 176.870 0.037 0.000 1.140 68 L CA 0.139 55.010 54.840 0.051 0.000 0.896 68 L CB -0.267 41.839 42.059 0.078 0.000 1.065 68 L HN 0.051 nan 8.230 nan 0.000 0.447 69 G N 0.645 109.465 108.800 0.033 0.000 2.273 69 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.280 69 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.280 69 G C 0.650 175.562 174.900 0.020 0.000 1.047 69 G CA 0.401 45.515 45.100 0.024 0.000 0.869 69 G HN 0.415 nan 8.290 nan 0.000 0.502 70 L N -1.782 119.456 121.223 0.025 0.000 2.556 70 L HA 0.489 4.829 4.340 -0.001 0.000 0.226 70 L C 0.876 177.753 176.870 0.011 0.000 1.089 70 L CA 0.103 54.951 54.840 0.012 0.000 0.864 70 L CB 0.392 42.456 42.059 0.008 0.000 1.067 70 L HN 0.319 nan 8.230 nan 0.000 0.477 71 L N 0.091 121.327 121.223 0.023 0.000 2.410 71 L HA 0.675 5.014 4.340 -0.001 0.000 0.270 71 L C -0.060 176.823 176.870 0.023 0.000 0.983 71 L CA -0.518 54.336 54.840 0.023 0.000 0.822 71 L CB 1.558 43.638 42.059 0.035 0.000 1.285 71 L HN -0.086 nan 8.230 nan 0.000 0.409 72 A N 6.953 129.784 122.820 0.019 0.000 2.548 72 A HA 0.366 4.686 4.320 -0.001 0.000 0.247 72 A C -1.591 176.006 177.584 0.021 0.000 1.067 72 A CA -0.558 51.490 52.037 0.018 0.000 0.757 72 A CB -0.484 18.525 19.000 0.016 0.000 0.996 72 A HN 0.759 nan 8.150 nan 0.000 0.504 73 P HA -0.223 nan 4.420 nan 0.000 0.217 73 P C 0.753 178.065 177.300 0.020 0.000 1.148 73 P CA 1.762 64.874 63.100 0.020 0.000 0.834 73 P CB 0.161 31.871 31.700 0.016 0.000 0.783 74 E N 0.388 120.599 120.200 0.018 0.000 2.072 74 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 74 E C 2.087 178.700 176.600 0.021 0.000 0.985 74 E CA 1.063 57.474 56.400 0.018 0.000 0.801 74 E CB -0.434 29.276 29.700 0.016 0.000 0.750 74 E HN 0.324 nan 8.360 nan 0.000 0.452 75 K N 0.767 121.181 120.400 0.024 0.000 2.057 75 K HA -0.048 4.271 4.320 -0.001 0.000 0.206 75 K C 2.313 178.932 176.600 0.032 0.000 1.050 75 K CA 1.024 57.328 56.287 0.028 0.000 0.935 75 K CB -0.201 32.317 32.500 0.031 0.000 0.715 75 K HN 0.090 nan 8.250 nan 0.000 0.439 76 A N 2.200 125.039 122.820 0.032 0.000 1.883 76 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 76 A C 1.662 179.265 177.584 0.032 0.000 1.186 76 A CA 2.132 54.191 52.037 0.036 0.000 0.624 76 A CB -0.567 18.454 19.000 0.035 0.000 0.822 76 A HN 0.204 nan 8.150 nan 0.000 0.444 77 D N -0.119 120.297 120.400 0.027 0.000 2.178 77 D HA -0.031 4.608 4.640 -0.001 0.000 0.201 77 D C 2.169 178.485 176.300 0.026 0.000 0.980 77 D CA 1.432 55.446 54.000 0.024 0.000 0.842 77 D CB -0.384 40.428 40.800 0.020 0.000 0.948 77 D HN 0.457 nan 8.370 nan 0.000 0.472 78 A N 0.597 123.433 122.820 0.026 0.000 1.929 78 A HA -0.076 4.244 4.320 -0.001 0.000 0.216 78 A C 2.354 179.956 177.584 0.030 0.000 1.176 78 A CA 0.595 52.648 52.037 0.026 0.000 0.628 78 A CB -0.542 18.472 19.000 0.023 0.000 0.816 78 A HN 0.154 nan 8.150 nan 0.000 0.444 79 I N -0.260 120.331 120.570 0.034 0.000 2.179 79 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 79 I C 2.302 178.444 176.117 0.042 0.000 1.088 79 I CA 1.353 62.677 61.300 0.041 0.000 1.357 79 I CB -0.336 37.693 38.000 0.048 0.000 1.051 79 I HN 0.295 nan 8.210 nan 0.000 0.409 80 I N 0.791 121.384 120.570 0.038 0.000 2.208 80 I HA -0.320 3.850 4.170 -0.001 0.000 0.245 80 I C 2.722 178.861 176.117 0.037 0.000 1.097 80 I CA 1.528 62.849 61.300 0.035 0.000 1.363 80 I CB -0.419 37.597 38.000 0.028 0.000 1.051 80 I HN 0.218 nan 8.210 nan 0.000 0.413 81 A N 0.372 123.213 122.820 0.036 0.000 1.930 81 A HA 0.005 4.325 4.320 -0.001 0.000 0.215 81 A C 2.515 180.131 177.584 0.053 0.000 1.176 81 A CA 1.371 53.432 52.037 0.040 0.000 0.632 81 A CB -0.617 18.404 19.000 0.035 0.000 0.819 81 A HN 0.406 nan 8.150 nan 0.000 0.445 82 A N 0.194 123.043 122.820 0.048 0.000 1.858 82 A HA 0.167 4.486 4.320 -0.001 0.000 0.216 82 A C 2.513 180.139 177.584 0.069 0.000 1.190 82 A CA 2.054 54.120 52.037 0.048 0.000 0.617 82 A CB -1.156 17.860 19.000 0.025 0.000 0.827 82 A HN 1.080 nan 8.150 nan 0.000 0.443 83 A N -0.237 122.621 122.820 0.064 0.000 1.978 83 A HA 0.097 4.417 4.320 -0.001 0.000 0.220 83 A C 2.426 180.054 177.584 0.072 0.000 1.170 83 A CA 2.208 54.288 52.037 0.072 0.000 0.636 83 A CB -0.885 18.149 19.000 0.058 0.000 0.810 83 A HN 1.090 nan 8.150 nan 0.000 0.448 84 A N -0.373 122.486 122.820 0.065 0.000 1.968 84 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 84 A C 1.894 179.525 177.584 0.078 0.000 1.169 84 A CA 1.426 53.497 52.037 0.057 0.000 0.638 84 A CB -0.389 18.637 19.000 0.044 0.000 0.812 84 A HN 0.643 nan 8.150 nan 0.000 0.446 85 E N -0.121 120.149 120.200 0.117 0.000 2.047 85 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 85 E C 1.849 178.580 176.600 0.220 0.000 0.987 85 E CA 1.176 57.677 56.400 0.169 0.000 0.799 85 E CB -0.297 29.569 29.700 0.276 0.000 0.752 85 E HN 0.678 nan 8.360 nan 0.000 0.449 86 I N 1.315 122.037 120.570 0.253 0.000 2.163 86 I HA -0.277 3.893 4.170 -0.001 0.000 0.243 86 I C 2.502 178.680 176.117 0.101 0.000 1.085 86 I CA 1.099 62.541 61.300 0.235 0.000 1.347 86 I CB -0.302 37.823 38.000 0.209 0.000 1.044 86 I HN 0.081 nan 8.210 nan 0.000 0.408 87 A N -0.324 122.536 122.820 0.067 0.000 2.121 87 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 87 A C 1.796 179.390 177.584 0.018 0.000 1.154 87 A CA 1.833 53.883 52.037 0.021 0.000 0.679 87 A CB -0.483 18.527 19.000 0.017 0.000 0.795 87 A HN 0.439 nan 8.150 nan 0.000 0.458 88 D N -1.658 118.764 120.400 0.036 0.000 2.328 88 D HA 0.283 4.923 4.640 -0.001 0.000 0.221 88 D C 1.114 177.422 176.300 0.013 0.000 1.072 88 D CA 0.914 54.927 54.000 0.022 0.000 0.850 88 D CB -0.180 40.635 40.800 0.025 0.000 0.922 88 D HN 0.472 nan 8.370 nan 0.000 0.516 89 G N 0.908 109.720 108.800 0.019 0.000 2.147 89 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.244 89 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.244 89 G C 0.826 175.719 174.900 -0.011 0.000 1.005 89 G CA 0.346 45.449 45.100 0.006 0.000 0.713 89 G HN 0.465 nan 8.290 nan 0.000 0.515 90 Q N -0.766 119.012 119.800 -0.036 0.000 2.360 90 Q HA 0.148 4.488 4.340 -0.001 0.000 0.202 90 Q C 0.929 176.650 176.000 -0.464 0.000 0.915 90 Q CA 0.352 56.015 55.803 -0.233 0.000 0.943 90 Q CB 0.291 28.849 28.738 -0.301 0.000 1.064 90 Q HN 0.770 nan 8.270 nan 0.000 0.511 91 H N -0.881 118.270 119.070 0.134 0.000 2.865 91 H HA 0.093 4.648 4.556 -0.001 0.000 0.247 91 H C -0.039 175.474 175.328 0.308 0.000 1.181 91 H CA -0.163 56.018 56.048 0.222 0.000 0.975 91 H CB 0.792 30.724 29.762 0.284 0.000 1.899 91 H HN 0.189 nan 8.280 nan 0.000 0.651 92 D N 1.095 121.637 120.400 0.238 0.000 2.357 92 D HA -0.129 4.511 4.640 -0.001 0.000 0.216 92 D C 1.343 177.811 176.300 0.280 0.000 0.973 92 D CA 1.125 55.239 54.000 0.190 0.000 0.912 92 D CB 0.023 40.865 40.800 0.070 0.000 0.900 92 D HN 0.597 nan 8.370 nan 0.000 0.501 93 D N -0.574 120.004 120.400 0.298 0.000 2.342 93 D HA -0.051 4.588 4.640 -0.001 0.000 0.221 93 D C 0.811 177.334 176.300 0.372 0.000 1.101 93 D CA 0.075 54.243 54.000 0.281 0.000 0.837 93 D CB 0.017 40.937 40.800 0.200 0.000 0.938 93 D HN 0.038 nan 8.370 nan 0.000 0.508 94 Q N 0.042 120.114 119.800 0.454 0.000 2.172 94 Q HA 0.194 4.534 4.340 -0.001 0.000 0.217 94 Q C -0.639 175.307 176.000 -0.090 0.000 0.832 94 Q CA -0.199 55.791 55.803 0.311 0.000 1.010 94 Q CB 0.266 29.075 28.738 0.118 0.000 1.133 94 Q HN 0.307 nan 8.270 nan 0.000 0.489 95 F N 1.805 121.831 119.950 0.127 0.000 2.660 95 F HA 0.298 4.825 4.527 -0.000 0.000 0.352 95 F C -1.562 174.177 175.800 -0.101 0.000 1.257 95 F CA -1.485 56.514 58.000 -0.002 0.000 1.200 95 F CB 1.534 40.558 39.000 0.040 0.000 1.473 95 F HN -0.079 nan 8.300 nan 0.000 0.561 96 P HA 0.070 nan 4.420 nan 0.000 0.245 96 P C 0.418 177.610 177.300 -0.181 0.000 1.203 96 P CA 0.581 63.525 63.100 -0.260 0.000 0.792 96 P CB 0.658 31.959 31.700 -0.664 0.000 0.997 97 I N 1.676 122.150 120.570 -0.158 0.000 2.683 97 I HA 0.006 4.176 4.170 -0.001 0.000 0.286 97 I C 1.031 177.131 176.117 -0.029 0.000 1.175 97 I CA 0.095 61.348 61.300 -0.079 0.000 1.429 97 I CB -0.067 37.895 38.000 -0.063 0.000 1.371 97 I HN -0.063 nan 8.210 nan 0.000 0.569 98 D N 4.901 125.309 120.400 0.013 0.000 2.506 98 D HA -0.043 4.597 4.640 -0.001 0.000 0.234 98 D C 1.147 177.396 176.300 -0.085 0.000 1.143 98 D CA 0.095 54.108 54.000 0.021 0.000 0.871 98 D CB 1.496 42.370 40.800 0.123 0.000 1.190 98 D HN 0.281 nan 8.370 nan 0.000 0.459 99 V N 4.242 124.080 119.914 -0.127 0.000 2.392 99 V HA -0.243 3.877 4.120 -0.001 0.000 0.249 99 V C 0.919 176.706 176.094 -0.510 0.000 1.059 99 V CA 1.311 63.415 62.300 -0.326 0.000 1.051 99 V CB -0.422 31.125 31.823 -0.459 0.000 0.658 99 V HN 0.413 nan 8.190 nan 0.000 0.455 100 F N 1.898 121.769 119.950 -0.132 0.000 2.464 100 F HA 0.412 4.939 4.527 -0.001 0.000 0.353 100 F C 0.650 176.176 175.800 -0.456 0.000 1.191 100 F CA -0.246 57.636 58.000 -0.197 0.000 1.147 100 F CB -0.294 38.649 39.000 -0.095 0.000 1.294 100 F HN 0.325 nan 8.300 nan 0.000 0.583 101 Q N -0.388 119.072 119.800 -0.567 0.000 3.177 101 Q HA 0.517 4.857 4.340 -0.001 0.000 0.339 101 Q C -0.716 174.821 176.000 -0.771 0.000 0.912 101 Q CA -1.254 53.799 55.803 -1.249 0.000 0.818 101 Q CB 0.623 28.806 28.738 -0.925 0.000 1.448 101 Q HN 0.181 nan 8.270 nan 0.000 0.489 102 T N 0.856 115.032 114.554 -0.630 0.000 2.905 102 T HA 0.082 4.432 4.350 -0.001 0.000 0.299 102 T C 1.220 175.755 174.700 -0.276 0.000 1.024 102 T CA 0.522 62.460 62.100 -0.270 0.000 1.151 102 T CB 0.484 69.276 68.868 -0.127 0.000 0.987 102 T HN 0.733 nan 8.240 nan 0.000 0.535 103 G N 1.603 110.282 108.800 -0.202 0.000 2.535 103 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 103 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 103 G C 1.576 176.388 174.900 -0.146 0.000 1.122 103 G CA 0.646 45.630 45.100 -0.193 0.000 0.769 103 G HN 0.768 nan 8.290 nan 0.000 0.549 104 S N -1.194 114.419 115.700 -0.146 0.000 2.503 104 S HA 0.366 4.836 4.470 -0.001 0.000 0.217 104 S C 1.817 176.278 174.600 -0.231 0.000 0.999 104 S CA 0.945 59.089 58.200 -0.093 0.000 0.914 104 S CB 0.130 63.303 63.200 -0.045 0.000 0.782 104 S HN 1.419 nan 8.310 nan 0.000 0.520 105 G N 0.817 109.330 108.800 -0.479 0.000 2.136 105 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.242 105 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.242 105 G C 0.671 175.289 174.900 -0.470 0.000 0.989 105 G CA 0.497 45.017 45.100 -0.966 0.000 0.682 105 G HN 0.465 nan 8.290 nan 0.000 0.522 106 T N 0.839 115.256 114.554 -0.228 0.000 2.665 106 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 106 T C 2.632 177.291 174.700 -0.067 0.000 1.035 106 T CA 2.155 64.202 62.100 -0.089 0.000 1.151 106 T CB -0.283 68.559 68.868 -0.043 0.000 0.862 106 T HN 0.478 nan 8.240 nan 0.000 0.438 107 S N 1.235 116.876 115.700 -0.099 0.000 2.353 107 S HA -0.106 4.364 4.470 -0.001 0.000 0.222 107 S C 2.503 177.085 174.600 -0.030 0.000 1.035 107 S CA 1.267 59.441 58.200 -0.042 0.000 1.025 107 S CB -0.461 62.721 63.200 -0.029 0.000 0.902 107 S HN 0.429 nan 8.310 nan 0.000 0.440 108 S N 1.474 117.132 115.700 -0.071 0.000 2.402 108 S HA -0.076 4.394 4.470 -0.001 0.000 0.229 108 S C 1.773 176.472 174.600 0.164 0.000 1.021 108 S CA 0.947 59.189 58.200 0.069 0.000 0.974 108 S CB -0.454 62.811 63.200 0.108 0.000 0.800 108 S HN 0.546 nan 8.310 nan 0.000 0.484 109 N N 1.549 120.321 118.700 0.119 0.000 2.142 109 N HA 0.016 4.755 4.740 -0.001 0.000 0.186 109 N C 1.643 177.224 175.510 0.118 0.000 1.023 109 N CA 1.462 54.608 53.050 0.159 0.000 0.852 109 N CB -0.257 38.311 38.487 0.136 0.000 0.998 109 N HN 0.349 nan 8.380 nan 0.000 0.424 110 M N -0.152 119.492 119.600 0.073 0.000 2.175 110 M HA -0.110 4.370 4.480 -0.001 0.000 0.264 110 M C 2.059 178.390 176.300 0.051 0.000 1.063 110 M CA 1.236 56.570 55.300 0.057 0.000 1.119 110 M CB -0.494 32.128 32.600 0.037 0.000 1.377 110 M HN 0.329 nan 8.290 nan 0.000 0.415 111 N N -0.339 118.388 118.700 0.046 0.000 2.061 111 N HA -0.177 4.562 4.740 -0.001 0.000 0.193 111 N C 1.332 176.845 175.510 0.005 0.000 1.030 111 N CA 1.968 55.015 53.050 -0.005 0.000 0.856 111 N CB 0.137 38.625 38.487 0.001 0.000 1.023 111 N HN 0.261 nan 8.380 nan 0.000 0.424 112 T N 0.697 115.353 114.554 0.169 0.000 2.777 112 T HA -0.058 4.292 4.350 -0.001 0.000 0.266 112 T C 1.498 176.274 174.700 0.128 0.000 1.040 112 T CA 0.971 63.226 62.100 0.258 0.000 1.141 112 T CB -0.361 68.694 68.868 0.312 0.000 0.868 112 T HN 0.312 nan 8.240 nan 0.000 0.444 113 N N 1.387 120.147 118.700 0.100 0.000 2.069 113 N HA -0.099 4.641 4.740 -0.001 0.000 0.191 113 N C 1.908 177.439 175.510 0.035 0.000 1.031 113 N CA 1.204 54.297 53.050 0.071 0.000 0.852 113 N CB -0.335 38.196 38.487 0.073 0.000 1.018 113 N HN 0.574 nan 8.380 nan 0.000 0.423 114 E N 0.280 120.491 120.200 0.019 0.000 2.077 114 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 114 E C 1.994 178.580 176.600 -0.023 0.000 0.989 114 E CA 0.846 57.246 56.400 0.000 0.000 0.800 114 E CB 0.016 29.730 29.700 0.024 0.000 0.746 114 E HN 0.063 nan 8.360 nan 0.000 0.452 115 V N 1.302 121.185 119.914 -0.052 0.000 2.407 115 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 115 V C 2.204 178.253 176.094 -0.077 0.000 1.055 115 V CA 1.418 63.656 62.300 -0.103 0.000 1.049 115 V CB -0.332 31.360 31.823 -0.219 0.000 0.662 115 V HN 0.263 nan 8.190 nan 0.000 0.455 116 I N 0.274 120.833 120.570 -0.019 0.000 2.315 116 I HA -0.212 3.958 4.170 -0.001 0.000 0.248 116 I C 2.580 178.691 176.117 -0.010 0.000 1.117 116 I CA 1.385 62.684 61.300 -0.002 0.000 1.404 116 I CB -0.411 37.614 38.000 0.041 0.000 1.071 116 I HN 0.286 nan 8.210 nan 0.000 0.419 117 A N -0.339 122.475 122.820 -0.009 0.000 1.930 117 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 117 A C 2.453 180.020 177.584 -0.030 0.000 1.175 117 A CA 1.922 53.952 52.037 -0.013 0.000 0.627 117 A CB -0.584 18.405 19.000 -0.018 0.000 0.815 117 A HN 0.361 nan 8.150 nan 0.000 0.443 118 S N -0.197 115.474 115.700 -0.047 0.000 2.368 118 S HA -0.069 4.401 4.470 -0.001 0.000 0.224 118 S C 1.793 176.360 174.600 -0.055 0.000 1.029 118 S CA 1.347 59.512 58.200 -0.059 0.000 0.988 118 S CB -0.419 62.731 63.200 -0.082 0.000 0.838 118 S HN 0.544 nan 8.310 nan 0.000 0.462 119 I N 1.520 122.050 120.570 -0.068 0.000 2.252 119 I HA -0.182 3.987 4.170 -0.001 0.000 0.245 119 I C 2.625 178.730 176.117 -0.019 0.000 1.102 119 I CA 1.042 62.309 61.300 -0.057 0.000 1.385 119 I CB -0.394 37.550 38.000 -0.094 0.000 1.064 119 I HN 0.265 nan 8.210 nan 0.000 0.414 120 A N 0.595 123.407 122.820 -0.014 0.000 1.969 120 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 120 A C 2.505 180.089 177.584 -0.001 0.000 1.169 120 A CA 1.609 53.647 52.037 0.001 0.000 0.635 120 A CB -0.651 18.354 19.000 0.008 0.000 0.810 120 A HN 0.421 nan 8.150 nan 0.000 0.445 121 A N -0.155 122.659 122.820 -0.010 0.000 1.930 121 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 121 A C 2.004 179.583 177.584 -0.009 0.000 1.175 121 A CA 1.557 53.587 52.037 -0.011 0.000 0.627 121 A CB -0.361 18.627 19.000 -0.020 0.000 0.815 121 A HN 0.493 nan 8.150 nan 0.000 0.443 122 K N -0.704 119.689 120.400 -0.011 0.000 2.515 122 K HA -0.042 4.278 4.320 -0.001 0.000 0.196 122 K C 1.223 177.825 176.600 0.003 0.000 1.038 122 K CA 0.675 56.958 56.287 -0.005 0.000 0.967 122 K CB -0.114 32.384 32.500 -0.003 0.000 0.780 122 K HN 0.450 nan 8.250 nan 0.000 0.483 123 G N -0.361 108.442 108.800 0.005 0.000 3.690 123 G HA2 0.238 4.198 3.960 -0.001 0.000 0.283 123 G HA3 0.238 4.198 3.960 -0.001 0.000 0.283 123 G C 0.641 175.545 174.900 0.008 0.000 1.057 123 G CA 0.101 45.206 45.100 0.009 0.000 0.821 123 G HN 0.258 nan 8.290 nan 0.000 0.526 124 G N -0.824 107.979 108.800 0.004 0.000 2.160 124 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.251 124 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.251 124 G C 0.011 174.914 174.900 0.006 0.000 1.008 124 G CA 0.340 45.442 45.100 0.004 0.000 0.724 124 G HN 0.935 nan 8.290 nan 0.000 0.514 125 V N 0.102 120.020 119.914 0.007 0.000 2.604 125 V HA 0.693 4.813 4.120 -0.001 0.000 0.305 125 V C 0.363 176.462 176.094 0.009 0.000 1.043 125 V CA -0.480 61.826 62.300 0.010 0.000 0.888 125 V CB 2.061 33.892 31.823 0.014 0.000 0.995 125 V HN 0.245 nan 8.190 nan 0.000 0.429 126 T N 6.299 120.861 114.554 0.013 0.000 2.744 126 T HA 0.695 5.045 4.350 -0.001 0.000 0.291 126 T C -0.427 174.289 174.700 0.027 0.000 0.957 126 T CA -0.134 61.975 62.100 0.014 0.000 1.002 126 T CB 0.360 69.237 68.868 0.015 0.000 0.919 126 T HN 0.374 nan 8.240 nan 0.000 0.468 127 L N 2.835 124.075 121.223 0.027 0.000 2.381 127 L HA 0.420 4.760 4.340 -0.001 0.000 0.268 127 L C -0.016 176.893 176.870 0.066 0.000 0.997 127 L CA -1.186 53.685 54.840 0.052 0.000 0.818 127 L CB 1.827 43.912 42.059 0.043 0.000 1.310 127 L HN 0.589 nan 8.230 nan 0.000 0.416 128 H N 4.255 123.330 119.070 0.008 0.000 2.782 128 H HA 0.182 4.737 4.556 -0.001 0.000 0.285 128 H C -2.065 173.270 175.328 0.012 0.000 1.093 128 H CA -1.819 54.234 56.048 0.008 0.000 1.410 128 H CB 1.788 31.553 29.762 0.006 0.000 1.439 128 H HN 0.321 nan 8.280 nan 0.000 0.469 129 P HA -0.237 nan 4.420 nan 0.000 0.217 129 P C 1.453 178.860 177.300 0.178 0.000 1.158 129 P CA 1.504 64.640 63.100 0.060 0.000 0.887 129 P CB 0.411 32.090 31.700 -0.035 0.000 0.792 130 N N -1.373 117.548 118.700 0.368 0.000 2.258 130 N HA -0.097 4.642 4.740 -0.001 0.000 0.183 130 N C 1.225 176.812 175.510 0.128 0.000 1.029 130 N CA 0.978 54.179 53.050 0.252 0.000 0.857 130 N CB -0.216 38.418 38.487 0.245 0.000 1.008 130 N HN -0.080 nan 8.380 nan 0.000 0.433 131 D N 0.882 121.287 120.400 0.008 0.000 2.144 131 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 131 D C 0.948 177.225 176.300 -0.037 0.000 0.984 131 D CA 1.162 55.051 54.000 -0.186 0.000 0.834 131 D CB -0.070 40.440 40.800 -0.485 0.000 0.955 131 D HN 0.397 nan 8.370 nan 0.000 0.465 132 D N -0.564 119.868 120.400 0.054 0.000 2.652 132 D HA 0.018 4.657 4.640 -0.001 0.000 0.261 132 D C 2.318 178.656 176.300 0.062 0.000 1.024 132 D CA 0.219 54.251 54.000 0.053 0.000 0.958 132 D CB -0.196 40.647 40.800 0.072 0.000 1.113 132 D HN 0.004 nan 8.370 nan 0.000 0.471 133 V N 1.293 121.257 119.914 0.083 0.000 2.515 133 V HA -0.137 3.982 4.120 -0.001 0.000 0.250 133 V C 1.489 177.631 176.094 0.080 0.000 1.058 133 V CA 1.359 63.707 62.300 0.080 0.000 1.064 133 V CB -0.545 31.326 31.823 0.080 0.000 0.675 133 V HN 0.074 nan 8.190 nan 0.000 0.461 134 N N -0.561 118.183 118.700 0.072 0.000 2.251 134 N HA 0.189 4.928 4.740 -0.001 0.000 0.217 134 N C 0.451 175.970 175.510 0.014 0.000 1.124 134 N CA -0.106 52.978 53.050 0.057 0.000 0.843 134 N CB 0.007 38.531 38.487 0.062 0.000 1.024 134 N HN 0.436 nan 8.380 nan 0.000 0.501 135 M N 0.389 119.990 119.600 0.002 0.000 2.252 135 M HA -0.033 4.447 4.480 -0.001 0.000 0.348 135 M C 0.177 176.384 176.300 -0.155 0.000 1.334 135 M CA 0.798 56.063 55.300 -0.059 0.000 1.071 135 M CB 0.220 32.798 32.600 -0.037 0.000 1.763 135 M HN 0.265 nan 8.290 nan 0.000 0.452 136 S N 1.120 116.666 115.700 -0.256 0.000 2.929 136 S HA -0.209 4.261 4.470 -0.001 0.000 0.271 136 S C -0.436 173.911 174.600 -0.422 0.000 1.295 136 S CA 1.435 59.325 58.200 -0.516 0.000 1.277 136 S CB -1.386 61.127 63.200 -1.146 0.000 1.557 136 S HN 0.912 nan 8.310 nan 0.000 0.666 137 Q N 0.366 120.067 119.800 -0.166 0.000 2.348 137 Q HA 0.743 5.082 4.340 -0.001 0.000 0.271 137 Q C -0.264 175.729 176.000 -0.013 0.000 1.067 137 Q CA -0.337 55.446 55.803 -0.034 0.000 0.839 137 Q CB 2.062 30.836 28.738 0.060 0.000 1.354 137 Q HN 0.201 nan 8.270 nan 0.000 0.447 138 S N -0.260 115.450 115.700 0.015 0.000 2.664 138 S HA 0.283 4.752 4.470 -0.001 0.000 0.304 138 S C 0.654 175.286 174.600 0.053 0.000 1.099 138 S CA -0.486 57.729 58.200 0.024 0.000 1.003 138 S CB 1.711 64.922 63.200 0.018 0.000 1.092 138 S HN 0.618 nan 8.310 nan 0.000 0.525 139 S N 1.551 117.282 115.700 0.052 0.000 2.402 139 S HA -0.052 4.417 4.470 -0.001 0.000 0.229 139 S C 1.391 176.044 174.600 0.087 0.000 1.021 139 S CA 1.158 59.401 58.200 0.071 0.000 0.974 139 S CB -0.664 62.560 63.200 0.040 0.000 0.800 139 S HN 0.744 nan 8.310 nan 0.000 0.484 140 N N 1.981 120.720 118.700 0.065 0.000 2.453 140 N HA -0.055 4.684 4.740 -0.001 0.000 0.183 140 N C 0.982 176.539 175.510 0.078 0.000 1.041 140 N CA 1.271 54.364 53.050 0.071 0.000 0.900 140 N CB -0.207 38.312 38.487 0.054 0.000 0.961 140 N HN 0.716 nan 8.380 nan 0.000 0.443 141 D N -2.007 118.436 120.400 0.072 0.000 2.479 141 D HA 0.078 4.718 4.640 -0.001 0.000 0.221 141 D C 1.378 177.725 176.300 0.078 0.000 1.104 141 D CA 0.316 54.351 54.000 0.058 0.000 0.849 141 D CB -0.502 40.318 40.800 0.034 0.000 1.072 141 D HN -0.170 nan 8.370 nan 0.000 0.502 142 T N 0.065 114.684 114.554 0.108 0.000 2.698 142 T HA 0.005 4.354 4.350 -0.001 0.000 0.260 142 T C 1.319 176.103 174.700 0.140 0.000 1.044 142 T CA 0.819 62.991 62.100 0.121 0.000 1.149 142 T CB -0.447 68.502 68.868 0.136 0.000 0.864 142 T HN 0.078 nan 8.240 nan 0.000 0.419 143 F N 3.178 123.151 119.950 0.037 0.000 2.102 143 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 143 F C -0.809 175.022 175.800 0.052 0.000 1.105 143 F CA 0.921 58.942 58.000 0.035 0.000 1.239 143 F CB -0.889 38.124 39.000 0.023 0.000 0.991 143 F HN 0.182 nan 8.300 nan 0.000 0.474 144 P HA -0.128 nan 4.420 nan 0.000 0.217 144 P C 1.586 178.930 177.300 0.073 0.000 1.150 144 P CA 1.948 65.125 63.100 0.129 0.000 0.832 144 P CB -0.361 31.418 31.700 0.131 0.000 0.787 145 T N 0.087 114.649 114.554 0.013 0.000 2.777 145 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 145 T C 2.039 176.719 174.700 -0.032 0.000 1.040 145 T CA 1.670 63.763 62.100 -0.013 0.000 1.141 145 T CB -0.817 68.044 68.868 -0.012 0.000 0.868 145 T HN 0.073 nan 8.240 nan 0.000 0.444 146 A N 1.288 124.048 122.820 -0.101 0.000 1.908 146 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 146 A C 2.536 179.996 177.584 -0.208 0.000 1.181 146 A CA 2.188 54.121 52.037 -0.173 0.000 0.627 146 A CB -1.273 17.571 19.000 -0.260 0.000 0.818 146 A HN 0.483 nan 8.150 nan 0.000 0.445 147 T N -0.790 113.611 114.554 -0.255 0.000 2.708 147 T HA -0.149 4.200 4.350 -0.001 0.000 0.266 147 T C 1.757 176.386 174.700 -0.118 0.000 1.037 147 T CA 1.523 63.495 62.100 -0.214 0.000 1.146 147 T CB -0.516 68.243 68.868 -0.181 0.000 0.865 147 T HN 0.661 nan 8.240 nan 0.000 0.435 148 H N 0.132 119.140 119.070 -0.103 0.000 2.462 148 H HA 0.127 4.683 4.556 -0.001 0.000 0.292 148 H C 2.258 177.534 175.328 -0.086 0.000 1.049 148 H CA 0.811 56.819 56.048 -0.067 0.000 1.334 148 H CB -0.055 29.682 29.762 -0.040 0.000 1.404 148 H HN 0.337 nan 8.280 nan 0.000 0.544 149 I N 0.616 121.191 120.570 0.008 0.000 2.252 149 I HA -0.191 3.979 4.170 -0.001 0.000 0.245 149 I C 2.827 178.889 176.117 -0.092 0.000 1.102 149 I CA 0.837 62.111 61.300 -0.044 0.000 1.385 149 I CB -0.195 37.773 38.000 -0.054 0.000 1.064 149 I HN 0.150 nan 8.210 nan 0.000 0.414 150 A N 0.725 123.472 122.820 -0.122 0.000 1.902 150 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 150 A C 2.512 179.966 177.584 -0.217 0.000 1.181 150 A CA 1.813 53.757 52.037 -0.155 0.000 0.623 150 A CB -0.781 18.123 19.000 -0.160 0.000 0.818 150 A HN 0.422 nan 8.150 nan 0.000 0.443 151 A N -1.174 121.515 122.820 -0.219 0.000 1.930 151 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 151 A C 2.285 179.596 177.584 -0.455 0.000 1.175 151 A CA 2.147 53.983 52.037 -0.335 0.000 0.627 151 A CB -1.094 17.821 19.000 -0.142 0.000 0.815 151 A HN 0.416 nan 8.150 nan 0.000 0.443 152 T N -0.585 113.831 114.554 -0.231 0.000 2.737 152 T HA -0.127 4.222 4.350 -0.001 0.000 0.265 152 T C 1.871 176.459 174.700 -0.187 0.000 1.038 152 T CA 1.496 63.495 62.100 -0.169 0.000 1.144 152 T CB -0.181 68.646 68.868 -0.068 0.000 0.866 152 T HN 0.692 nan 8.240 nan 0.000 0.434 153 E N 0.858 120.961 120.200 -0.162 0.000 2.077 153 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 153 E C 2.407 178.946 176.600 -0.102 0.000 0.989 153 E CA 0.998 57.335 56.400 -0.105 0.000 0.800 153 E CB -0.213 29.448 29.700 -0.065 0.000 0.746 153 E HN 0.454 nan 8.360 nan 0.000 0.452 154 A N 1.083 123.743 122.820 -0.267 0.000 1.908 154 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 154 A C 2.357 179.712 177.584 -0.382 0.000 1.181 154 A CA 1.962 53.789 52.037 -0.350 0.000 0.627 154 A CB -0.754 17.861 19.000 -0.642 0.000 0.818 154 A HN 0.423 nan 8.150 nan 0.000 0.445 155 A N -0.976 121.482 122.820 -0.602 0.000 1.897 155 A HA 0.095 4.414 4.320 -0.001 0.000 0.215 155 A C 2.198 179.751 177.584 -0.053 0.000 1.181 155 A CA 1.743 53.639 52.037 -0.235 0.000 0.620 155 A CB -0.652 18.269 19.000 -0.132 0.000 0.821 155 A HN 0.381 nan 8.150 nan 0.000 0.443 156 V N -0.956 118.911 119.914 -0.079 0.000 2.599 156 V HA 0.015 4.134 4.120 -0.001 0.000 0.245 156 V C 2.727 178.785 176.094 -0.060 0.000 1.046 156 V CA 1.611 63.882 62.300 -0.048 0.000 1.065 156 V CB -0.456 31.336 31.823 -0.053 0.000 0.703 156 V HN 0.557 nan 8.190 nan 0.000 0.464 157 A N -2.232 120.538 122.820 -0.083 0.000 2.147 157 A HA 0.058 4.377 4.320 -0.001 0.000 0.211 157 A C 1.891 179.257 177.584 -0.363 0.000 1.160 157 A CA 0.618 52.532 52.037 -0.204 0.000 0.781 157 A CB -0.210 18.648 19.000 -0.237 0.000 0.842 157 A HN 0.646 nan 8.150 nan 0.000 0.475 158 H N -2.463 116.582 119.070 -0.042 0.000 2.179 158 H HA 0.133 4.688 4.556 -0.000 0.000 0.246 158 H C 1.722 177.065 175.328 0.026 0.000 0.904 158 H CA 0.835 56.876 56.048 -0.012 0.000 1.113 158 H CB -0.268 29.482 29.762 -0.020 0.000 1.396 158 H HN 0.357 nan 8.280 nan 0.000 0.484 159 L N 1.505 122.838 121.223 0.183 0.000 2.095 159 L HA 0.045 4.384 4.340 -0.001 0.000 0.204 159 L C 2.129 179.076 176.870 0.128 0.000 1.080 159 L CA 1.176 56.131 54.840 0.193 0.000 0.759 159 L CB -0.667 41.587 42.059 0.326 0.000 0.914 159 L HN 0.130 nan 8.230 nan 0.000 0.439 160 I N -0.008 120.617 120.570 0.092 0.000 2.163 160 I HA -0.180 3.990 4.170 -0.001 0.000 0.240 160 I C -0.344 175.795 176.117 0.036 0.000 1.081 160 I CA 1.221 62.554 61.300 0.055 0.000 1.353 160 I CB -1.386 36.633 38.000 0.031 0.000 1.054 160 I HN 0.217 nan 8.210 nan 0.000 0.407 161 P HA -0.189 nan 4.420 nan 0.000 0.216 161 P C 1.401 178.723 177.300 0.035 0.000 1.150 161 P CA 1.843 64.949 63.100 0.010 0.000 0.837 161 P CB -0.048 31.640 31.700 -0.021 0.000 0.786 162 A N -0.607 122.248 122.820 0.058 0.000 1.877 162 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 162 A C 2.219 179.853 177.584 0.083 0.000 1.186 162 A CA 1.427 53.509 52.037 0.075 0.000 0.620 162 A CB -1.631 17.427 19.000 0.097 0.000 0.822 162 A HN 0.106 nan 8.150 nan 0.000 0.443 163 L N -1.104 120.170 121.223 0.085 0.000 2.046 163 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 163 L C 2.864 179.792 176.870 0.097 0.000 1.077 163 L CA 1.732 56.627 54.840 0.093 0.000 0.747 163 L CB -0.548 41.560 42.059 0.082 0.000 0.896 163 L HN 0.460 nan 8.230 nan 0.000 0.432 164 Q N 0.417 120.255 119.800 0.064 0.000 2.096 164 Q HA -0.288 4.052 4.340 -0.001 0.000 0.204 164 Q C 2.153 178.214 176.000 0.101 0.000 0.982 164 Q CA 1.932 57.769 55.803 0.056 0.000 0.850 164 Q CB -0.232 28.513 28.738 0.012 0.000 0.901 164 Q HN 0.453 nan 8.270 nan 0.000 0.422 165 Q N -0.934 118.910 119.800 0.075 0.000 2.119 165 Q HA -0.158 4.182 4.340 -0.001 0.000 0.201 165 Q C 1.885 177.925 176.000 0.067 0.000 0.972 165 Q CA 1.360 57.201 55.803 0.063 0.000 0.847 165 Q CB -0.175 28.590 28.738 0.045 0.000 0.903 165 Q HN 0.463 nan 8.270 nan 0.000 0.433 166 L N 0.563 121.838 121.223 0.086 0.000 2.093 166 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 166 L C 2.430 179.347 176.870 0.080 0.000 1.085 166 L CA 2.055 56.938 54.840 0.072 0.000 0.755 166 L CB -0.857 41.269 42.059 0.111 0.000 0.904 166 L HN 0.412 nan 8.230 nan 0.000 0.435 167 H N -0.299 118.792 119.070 0.034 0.000 2.293 167 H HA -0.175 4.380 4.556 -0.001 0.000 0.300 167 H C 1.586 176.927 175.328 0.022 0.000 1.082 167 H CA 2.145 58.215 56.048 0.037 0.000 1.308 167 H CB -0.092 29.691 29.762 0.035 0.000 1.375 167 H HN 0.368 nan 8.280 nan 0.000 0.495 168 D N 0.905 121.385 120.400 0.134 0.000 2.116 168 D HA -0.145 4.495 4.640 -0.001 0.000 0.193 168 D C 2.313 178.568 176.300 -0.075 0.000 0.998 168 D CA 1.591 55.613 54.000 0.036 0.000 0.836 168 D CB -0.725 40.120 40.800 0.075 0.000 0.951 168 D HN 0.521 nan 8.370 nan 0.000 0.449 169 A N 0.327 123.112 122.820 -0.059 0.000 1.933 169 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 169 A C 2.390 179.909 177.584 -0.109 0.000 1.175 169 A CA 0.973 52.954 52.037 -0.094 0.000 0.628 169 A CB -0.685 18.262 19.000 -0.089 0.000 0.814 169 A HN 0.224 nan 8.150 nan 0.000 0.444 170 L N -1.133 120.045 121.223 -0.076 0.000 2.131 170 L HA -0.075 4.264 4.340 -0.001 0.000 0.206 170 L C 3.014 179.857 176.870 -0.044 0.000 1.087 170 L CA 0.866 55.725 54.840 0.031 0.000 0.767 170 L CB -0.429 41.676 42.059 0.078 0.000 0.917 170 L HN 0.395 nan 8.230 nan 0.000 0.441 171 A N 0.091 122.789 122.820 -0.203 0.000 1.930 171 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 171 A C 2.536 180.032 177.584 -0.148 0.000 1.175 171 A CA 1.469 53.386 52.037 -0.201 0.000 0.627 171 A CB -0.600 18.216 19.000 -0.307 0.000 0.815 171 A HN 0.362 nan 8.150 nan 0.000 0.443 172 A N -0.098 122.624 122.820 -0.163 0.000 1.902 172 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 172 A C 2.082 179.490 177.584 -0.293 0.000 1.181 172 A CA 1.781 53.705 52.037 -0.188 0.000 0.623 172 A CB -0.333 18.561 19.000 -0.177 0.000 0.818 172 A HN 0.337 nan 8.150 nan 0.000 0.443 173 K N -0.151 120.017 120.400 -0.388 0.000 2.097 173 K HA 0.005 4.324 4.320 -0.001 0.000 0.205 173 K C 2.215 178.538 176.600 -0.462 0.000 1.050 173 K CA 1.202 57.046 56.287 -0.739 0.000 0.938 173 K CB -0.749 31.138 32.500 -1.021 0.000 0.718 173 K HN 0.456 nan 8.250 nan 0.000 0.442 174 A N 1.209 123.935 122.820 -0.157 0.000 1.972 174 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 174 A C 2.278 179.870 177.584 0.014 0.000 1.169 174 A CA 1.192 53.239 52.037 0.016 0.000 0.635 174 A CB -0.451 18.579 19.000 0.051 0.000 0.810 174 A HN 0.169 nan 8.150 nan 0.000 0.446 175 L N -0.918 120.261 121.223 -0.074 0.000 2.084 175 L HA -0.086 4.254 4.340 -0.001 0.000 0.202 175 L C 1.999 178.851 176.870 -0.030 0.000 1.074 175 L CA 1.098 55.901 54.840 -0.063 0.000 0.757 175 L CB -0.478 41.521 42.059 -0.099 0.000 0.918 175 L HN 0.261 nan 8.230 nan 0.000 0.444 176 D N -0.654 119.661 120.400 -0.141 0.000 2.182 176 D HA -0.215 4.425 4.640 -0.001 0.000 0.201 176 D C 1.409 177.773 176.300 0.107 0.000 0.986 176 D CA 1.216 55.143 54.000 -0.122 0.000 0.847 176 D CB -0.080 40.503 40.800 -0.361 0.000 0.942 176 D HN 0.372 nan 8.370 nan 0.000 0.467 177 W N 0.283 121.558 121.300 -0.041 0.000 3.123 177 W HA 0.136 4.795 4.660 -0.001 0.000 0.383 177 W C 1.574 178.104 176.519 0.018 0.000 1.102 177 W CA -0.993 56.326 57.345 -0.043 0.000 1.865 177 W CB -1.140 28.243 29.460 -0.128 0.000 1.111 177 W HN 0.156 nan 8.180 nan 0.000 0.621 178 H N 1.094 120.250 119.070 0.143 0.000 2.362 178 H HA -0.212 4.343 4.556 -0.000 0.000 0.294 178 H C 1.969 177.336 175.328 0.066 0.000 1.113 178 H CA 2.831 58.928 56.048 0.081 0.000 1.253 178 H CB 0.019 29.808 29.762 0.045 0.000 1.363 178 H HN -0.012 nan 8.280 nan 0.000 0.494 179 T N -2.656 111.902 114.554 0.007 0.000 3.129 179 T HA 0.249 4.599 4.350 -0.001 0.000 0.267 179 T C 0.222 174.895 174.700 -0.046 0.000 1.018 179 T CA 0.016 62.067 62.100 -0.081 0.000 0.903 179 T CB -0.308 68.543 68.868 -0.028 0.000 1.067 179 T HN 0.006 nan 8.240 nan 0.000 0.549 180 V N 2.865 122.766 119.914 -0.022 0.000 2.287 180 V HA 0.246 4.366 4.120 -0.001 0.000 0.246 180 V C 0.760 176.799 176.094 -0.091 0.000 1.165 180 V CA -0.667 61.583 62.300 -0.083 0.000 1.088 180 V CB -0.101 31.607 31.823 -0.191 0.000 1.242 180 V HN 0.461 nan 8.190 nan 0.000 0.497 181 V N 6.881 126.746 119.914 -0.082 0.000 2.715 181 V HA 0.482 4.602 4.120 -0.001 0.000 0.299 181 V C 0.251 176.296 176.094 -0.081 0.000 1.054 181 V CA 0.068 62.323 62.300 -0.075 0.000 1.077 181 V CB 1.204 32.987 31.823 -0.067 0.000 0.972 181 V HN 1.035 nan 8.190 nan 0.000 0.484 182 K N 3.147 123.506 120.400 -0.069 0.000 2.548 182 K HA 0.526 4.845 4.320 -0.001 0.000 0.282 182 K C -1.001 175.566 176.600 -0.056 0.000 1.006 182 K CA -0.688 55.556 56.287 -0.072 0.000 0.892 182 K CB 1.544 34.005 32.500 -0.065 0.000 1.499 182 K HN 0.398 nan 8.250 nan 0.000 0.433 183 S N -0.053 115.613 115.700 -0.058 0.000 2.528 183 S HA 0.366 4.836 4.470 -0.001 0.000 0.277 183 S C 0.211 174.793 174.600 -0.029 0.000 1.297 183 S CA -0.126 58.048 58.200 -0.044 0.000 1.052 183 S CB 0.164 63.336 63.200 -0.048 0.000 0.917 183 S HN 0.669 nan 8.310 nan 0.000 0.492 184 G N 3.429 112.214 108.800 -0.025 0.000 2.572 184 G HA2 0.468 4.428 3.960 -0.001 0.000 0.261 184 G HA3 0.468 4.428 3.960 -0.001 0.000 0.261 184 G C -0.676 174.213 174.900 -0.019 0.000 1.197 184 G CA -0.581 44.508 45.100 -0.019 0.000 0.870 184 G HN 0.722 nan 8.290 nan 0.000 0.548 185 R N -0.379 120.109 120.500 -0.020 0.000 2.575 185 R HA 0.580 4.920 4.340 -0.001 0.000 0.293 185 R C -0.720 175.557 176.300 -0.038 0.000 0.983 185 R CA -0.645 55.440 56.100 -0.026 0.000 0.887 185 R CB 2.263 32.540 30.300 -0.039 0.000 1.184 185 R HN 0.723 nan 8.270 nan 0.000 0.445 186 T N -1.447 113.093 114.554 -0.024 0.000 2.893 186 T HA 0.260 4.610 4.350 -0.001 0.000 0.293 186 T C 0.234 174.934 174.700 -0.001 0.000 1.027 186 T CA -0.798 61.256 62.100 -0.077 0.000 0.988 186 T CB 1.092 69.925 68.868 -0.059 0.000 1.043 186 T HN 0.849 nan 8.240 nan 0.000 0.461 187 H N 2.002 121.045 119.070 -0.045 0.000 2.884 187 H HA -0.174 4.382 4.556 -0.001 0.000 0.289 187 H C 1.039 176.324 175.328 -0.071 0.000 1.142 187 H CA 0.940 56.957 56.048 -0.052 0.000 1.158 187 H CB -1.606 28.131 29.762 -0.041 0.000 1.325 187 H HN 0.867 nan 8.280 nan 0.000 0.366 188 L N -4.187 117.027 121.223 -0.015 0.000 5.081 188 L HA -0.264 4.076 4.340 -0.001 0.000 0.423 188 L C 0.327 177.174 176.870 -0.038 0.000 1.019 188 L CA 1.003 55.801 54.840 -0.070 0.000 1.223 188 L CB -1.017 40.972 42.059 -0.116 0.000 1.940 188 L HN 0.121 nan 8.230 nan 0.000 0.675 189 M N -0.007 119.599 119.600 0.010 0.000 2.528 189 M HA 0.392 4.872 4.480 -0.001 0.000 0.318 189 M C 0.367 176.667 176.300 0.000 0.000 1.195 189 M CA -0.484 54.819 55.300 0.004 0.000 1.000 189 M CB 0.519 33.130 32.600 0.017 0.000 1.615 189 M HN -0.114 nan 8.290 nan 0.000 0.469 190 D N 1.511 121.906 120.400 -0.009 0.000 2.525 190 D HA 0.361 5.000 4.640 -0.001 0.000 0.235 190 D C -0.184 176.112 176.300 -0.006 0.000 1.137 190 D CA 0.516 54.508 54.000 -0.013 0.000 0.868 190 D CB 0.566 41.356 40.800 -0.017 0.000 1.180 190 D HN 0.665 nan 8.370 nan 0.000 0.465 191 A N 1.479 124.292 122.820 -0.011 0.000 2.507 191 A HA 0.659 4.979 4.320 -0.001 0.000 0.284 191 A C -0.144 177.430 177.584 -0.016 0.000 1.281 191 A CA -0.617 51.416 52.037 -0.008 0.000 0.744 191 A CB 0.433 19.432 19.000 -0.003 0.000 1.332 191 A HN 0.400 nan 8.150 nan 0.000 0.454 192 V N -2.137 117.768 119.914 -0.016 0.000 3.237 192 V HA 0.443 4.563 4.120 -0.001 0.000 0.305 192 V C -2.613 173.467 176.094 -0.024 0.000 1.096 192 V CA -1.385 60.903 62.300 -0.020 0.000 1.130 192 V CB -0.578 31.234 31.823 -0.019 0.000 1.048 192 V HN 0.615 nan 8.190 nan 0.000 0.484 193 P HA 0.403 nan 4.420 nan 0.000 0.271 193 P C -0.394 176.887 177.300 -0.031 0.000 1.216 193 P CA 0.053 63.133 63.100 -0.033 0.000 0.771 193 P CB 0.991 32.670 31.700 -0.036 0.000 0.864 194 V N -0.202 119.693 119.914 -0.031 0.000 3.164 194 V HA 0.884 5.004 4.120 -0.001 0.000 0.313 194 V C -0.206 175.869 176.094 -0.032 0.000 1.188 194 V CA -0.841 61.443 62.300 -0.028 0.000 1.058 194 V CB 1.638 33.450 31.823 -0.019 0.000 1.110 194 V HN 0.593 nan 8.190 nan 0.000 0.453 195 T N -1.246 113.293 114.554 -0.025 0.000 2.945 195 T HA 0.550 4.899 4.350 -0.001 0.000 0.286 195 T C 0.595 175.317 174.700 0.037 0.000 1.025 195 T CA -0.399 61.689 62.100 -0.019 0.000 1.039 195 T CB 1.604 70.445 68.868 -0.046 0.000 1.068 195 T HN 0.738 nan 8.240 nan 0.000 0.497 196 L N 2.074 123.325 121.223 0.047 0.000 2.131 196 L HA 0.210 4.549 4.340 -0.001 0.000 0.210 196 L C 2.489 179.545 176.870 0.311 0.000 1.092 196 L CA 2.241 57.170 54.840 0.149 0.000 0.759 196 L CB -1.288 40.743 42.059 -0.047 0.000 0.903 196 L HN 1.029 nan 8.230 nan 0.000 0.435 197 G N -1.790 107.159 108.800 0.248 0.000 2.408 197 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 197 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 197 G C 1.470 176.485 174.900 0.193 0.000 1.150 197 G CA 0.559 45.815 45.100 0.259 0.000 0.776 197 G HN 0.471 nan 8.290 nan 0.000 0.542 198 Q N 0.014 119.886 119.800 0.120 0.000 2.079 198 Q HA -0.054 4.286 4.340 -0.001 0.000 0.200 198 Q C 2.477 178.466 176.000 -0.018 0.000 0.974 198 Q CA 1.259 57.095 55.803 0.054 0.000 0.840 198 Q CB -0.092 28.658 28.738 0.020 0.000 0.898 198 Q HN 0.578 nan 8.270 nan 0.000 0.430 199 E N -0.045 120.138 120.200 -0.028 0.000 2.110 199 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 199 E C 1.588 177.790 176.600 -0.663 0.000 0.988 199 E CA 0.909 57.136 56.400 -0.289 0.000 0.804 199 E CB -0.082 29.515 29.700 -0.171 0.000 0.745 199 E HN 0.320 nan 8.360 nan 0.000 0.458 200 F N 0.759 120.501 119.950 -0.347 0.000 2.407 200 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 200 F C 2.745 178.456 175.800 -0.147 0.000 1.097 200 F CA 1.017 58.884 58.000 -0.223 0.000 1.422 200 F CB 0.032 39.061 39.000 0.048 0.000 1.067 200 F HN 0.021 nan 8.300 nan 0.000 0.539 201 S N -0.495 115.219 115.700 0.023 0.000 2.428 201 S HA -0.040 4.430 4.470 -0.001 0.000 0.230 201 S C 2.326 176.906 174.600 -0.034 0.000 1.014 201 S CA 0.902 59.107 58.200 0.008 0.000 0.957 201 S CB -1.068 62.149 63.200 0.028 0.000 0.784 201 S HN 0.320 nan 8.310 nan 0.000 0.499 202 G N 0.765 109.484 108.800 -0.135 0.000 2.433 202 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.216 202 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.216 202 G C 1.226 176.115 174.900 -0.018 0.000 1.186 202 G CA 0.950 45.978 45.100 -0.120 0.000 0.779 202 G HN 0.555 nan 8.290 nan 0.000 0.543 203 Y N 1.474 121.740 120.300 -0.057 0.000 2.165 203 Y HA 0.003 4.553 4.550 -0.000 0.000 0.286 203 Y C 3.160 179.052 175.900 -0.012 0.000 1.155 203 Y CA 0.175 58.232 58.100 -0.073 0.000 1.164 203 Y CB -1.297 37.041 38.460 -0.203 0.000 0.978 203 Y HN 0.269 nan 8.280 nan 0.000 0.513 204 A N 0.364 123.259 122.820 0.125 0.000 1.908 204 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 204 A C 2.346 180.026 177.584 0.160 0.000 1.181 204 A CA 2.179 54.249 52.037 0.056 0.000 0.627 204 A CB -0.693 18.247 19.000 -0.099 0.000 0.818 204 A HN 0.342 nan 8.150 nan 0.000 0.445 205 R N 0.019 120.593 120.500 0.123 0.000 2.096 205 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 205 R C 2.152 178.524 176.300 0.119 0.000 1.127 205 R CA 2.113 58.289 56.100 0.126 0.000 0.968 205 R CB -0.682 29.665 30.300 0.078 0.000 0.861 205 R HN 0.691 nan 8.270 nan 0.000 0.440 206 Q N -0.447 119.425 119.800 0.119 0.000 2.084 206 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 206 Q C 1.783 177.845 176.000 0.104 0.000 0.978 206 Q CA 1.409 57.274 55.803 0.102 0.000 0.844 206 Q CB -0.055 28.751 28.738 0.112 0.000 0.898 206 Q HN 0.323 nan 8.270 nan 0.000 0.426 207 I N 0.680 121.332 120.570 0.137 0.000 2.286 207 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 207 I C 2.255 178.447 176.117 0.124 0.000 1.104 207 I CA 1.318 62.702 61.300 0.139 0.000 1.397 207 I CB -1.128 36.977 38.000 0.176 0.000 1.072 207 I HN 0.330 nan 8.210 nan 0.000 0.417 208 E N 1.229 121.526 120.200 0.162 0.000 2.110 208 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 208 E C 2.244 178.863 176.600 0.031 0.000 0.988 208 E CA 1.383 57.815 56.400 0.054 0.000 0.804 208 E CB 0.105 29.843 29.700 0.064 0.000 0.745 208 E HN 0.424 nan 8.360 nan 0.000 0.458 209 A N 0.524 123.376 122.820 0.053 0.000 2.014 209 A HA -0.003 4.317 4.320 -0.001 0.000 0.218 209 A C 2.326 179.930 177.584 0.032 0.000 1.163 209 A CA 1.311 53.371 52.037 0.037 0.000 0.652 209 A CB -0.856 18.169 19.000 0.041 0.000 0.808 209 A HN 0.438 nan 8.150 nan 0.000 0.449 210 G N 0.366 109.191 108.800 0.042 0.000 2.421 210 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 210 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 210 G C 1.516 176.437 174.900 0.034 0.000 1.171 210 G CA 1.130 46.253 45.100 0.037 0.000 0.775 210 G HN 0.464 nan 8.290 nan 0.000 0.543 211 I N 0.726 121.314 120.570 0.030 0.000 2.163 211 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 211 I C 2.791 178.917 176.117 0.015 0.000 1.085 211 I CA 1.503 62.814 61.300 0.020 0.000 1.347 211 I CB -0.337 37.658 38.000 -0.009 0.000 1.044 211 I HN 0.286 nan 8.210 nan 0.000 0.408 212 E N 0.766 120.971 120.200 0.008 0.000 2.118 212 E HA -0.244 4.106 4.350 -0.001 0.000 0.195 212 E C 2.201 178.811 176.600 0.016 0.000 0.992 212 E CA 1.267 57.672 56.400 0.008 0.000 0.804 212 E CB -0.157 29.546 29.700 0.006 0.000 0.741 212 E HN 0.600 nan 8.360 nan 0.000 0.458 213 R N 0.433 120.945 120.500 0.021 0.000 2.153 213 R HA 0.019 4.359 4.340 -0.001 0.000 0.218 213 R C 2.142 178.460 176.300 0.031 0.000 1.072 213 R CA 0.729 56.842 56.100 0.022 0.000 0.990 213 R CB -0.390 29.920 30.300 0.017 0.000 0.889 213 R HN -0.021 nan 8.270 nan 0.000 0.452 214 V N 1.786 121.725 119.914 0.042 0.000 2.358 214 V HA -0.142 3.978 4.120 -0.001 0.000 0.246 214 V C 2.449 178.578 176.094 0.060 0.000 1.047 214 V CA 1.655 63.995 62.300 0.068 0.000 1.035 214 V CB -0.519 31.361 31.823 0.095 0.000 0.658 214 V HN 0.307 nan 8.190 nan 0.000 0.452 215 R N 0.320 120.844 120.500 0.039 0.000 2.120 215 R HA -0.086 4.254 4.340 -0.001 0.000 0.234 215 R C 2.312 178.627 176.300 0.026 0.000 1.123 215 R CA 1.356 57.473 56.100 0.027 0.000 0.975 215 R CB -0.540 29.768 30.300 0.014 0.000 0.866 215 R HN 0.523 nan 8.270 nan 0.000 0.446 216 A N 0.798 123.633 122.820 0.025 0.000 2.121 216 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 216 A C 2.306 179.907 177.584 0.029 0.000 1.154 216 A CA 1.376 53.426 52.037 0.023 0.000 0.679 216 A CB -0.568 18.444 19.000 0.019 0.000 0.795 216 A HN 0.664 nan 8.150 nan 0.000 0.458 217 C N -2.518 116.805 119.300 0.039 0.000 2.912 217 C HA 0.431 4.891 4.460 -0.001 0.000 0.274 217 C C 2.160 177.183 174.990 0.054 0.000 1.248 217 C CA 0.094 59.141 59.018 0.047 0.000 1.694 217 C CB -1.409 26.364 27.740 0.056 0.000 2.024 217 C HN 0.437 nan 8.230 nan 0.000 0.605 218 L N 1.569 122.821 121.223 0.048 0.000 2.081 218 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 218 L C -0.168 176.723 176.870 0.036 0.000 1.080 218 L CA 1.826 56.690 54.840 0.041 0.000 0.754 218 L CB -1.876 40.198 42.059 0.026 0.000 0.893 218 L HN 0.207 nan 8.230 nan 0.000 0.433 219 P HA -0.171 nan 4.420 nan 0.000 0.217 219 P C 1.373 178.692 177.300 0.031 0.000 1.148 219 P CA 1.554 64.668 63.100 0.023 0.000 0.828 219 P CB 0.025 31.736 31.700 0.019 0.000 0.783 220 R N -2.178 118.349 120.500 0.045 0.000 2.225 220 R HA 0.167 4.506 4.340 -0.001 0.000 0.194 220 R C 1.950 178.314 176.300 0.107 0.000 0.957 220 R CA -0.074 56.062 56.100 0.059 0.000 1.042 220 R CB -0.715 29.618 30.300 0.056 0.000 1.004 220 R HN 0.092 nan 8.270 nan 0.000 0.509 221 L N 0.163 121.454 121.223 0.113 0.000 2.141 221 L HA 0.087 4.427 4.340 -0.001 0.000 0.209 221 L C 1.681 178.671 176.870 0.200 0.000 1.094 221 L CA 1.736 56.674 54.840 0.164 0.000 0.763 221 L CB -0.428 41.692 42.059 0.101 0.000 0.908 221 L HN 0.155 nan 8.230 nan 0.000 0.437 222 G N -0.630 108.231 108.800 0.101 0.000 2.985 222 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.209 222 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.209 222 G C 0.369 175.288 174.900 0.031 0.000 1.165 222 G CA 0.162 45.300 45.100 0.063 0.000 0.776 222 G HN 0.598 nan 8.290 nan 0.000 0.541 223 E N 0.605 120.817 120.200 0.019 0.000 2.338 223 E HA 0.451 4.801 4.350 -0.001 0.000 0.272 223 E C -0.638 175.870 176.600 -0.153 0.000 1.029 223 E CA -0.499 55.869 56.400 -0.054 0.000 0.872 223 E CB 0.910 30.582 29.700 -0.047 0.000 1.015 223 E HN 0.058 nan 8.360 nan 0.000 0.417 224 L N 2.595 123.743 121.223 -0.125 0.000 2.342 224 L HA 0.497 4.837 4.340 -0.001 0.000 0.271 224 L C 0.599 177.396 176.870 -0.122 0.000 1.008 224 L CA -0.943 53.814 54.840 -0.139 0.000 0.818 224 L CB 1.857 43.869 42.059 -0.079 0.000 1.296 224 L HN 0.838 nan 8.230 nan 0.000 0.427 225 A N 2.219 124.969 122.820 -0.117 0.000 2.195 225 A HA 0.133 4.453 4.320 -0.001 0.000 0.210 225 A C 0.738 178.300 177.584 -0.036 0.000 1.165 225 A CA -0.003 51.984 52.037 -0.082 0.000 0.806 225 A CB -0.080 18.879 19.000 -0.069 0.000 0.847 225 A HN 0.551 nan 8.150 nan 0.000 0.482 226 I N 0.505 121.066 120.570 -0.015 0.000 2.826 226 I HA 0.291 4.461 4.170 -0.001 0.000 0.295 226 I C 1.400 177.561 176.117 0.074 0.000 1.213 226 I CA 1.647 62.972 61.300 0.042 0.000 1.436 226 I CB 0.253 38.265 38.000 0.021 0.000 1.348 226 I HN 0.566 nan 8.210 nan 0.000 0.570 227 G N 4.355 113.258 108.800 0.172 0.000 2.238 227 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 227 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 227 G C 1.005 175.933 174.900 0.047 0.000 0.996 227 G CA 0.238 45.453 45.100 0.192 0.000 0.632 227 G HN 1.178 nan 8.290 nan 0.000 0.503 228 G N 0.337 109.130 108.800 -0.012 0.000 2.551 228 G HA2 0.411 4.371 3.960 -0.001 0.000 0.216 228 G HA3 0.411 4.371 3.960 -0.001 0.000 0.216 228 G C 1.471 176.331 174.900 -0.066 0.000 1.137 228 G CA 2.683 47.728 45.100 -0.092 0.000 0.798 228 G HN 2.140 nan 8.290 nan 0.000 0.536 229 T N -1.342 113.199 114.554 -0.022 0.000 14.138 229 T HA -0.388 3.962 4.350 -0.001 0.000 0.419 229 T C 1.912 176.609 174.700 -0.005 0.000 1.441 229 T CA 2.081 64.171 62.100 -0.016 0.000 2.333 229 T CB -1.490 67.357 68.868 -0.034 0.000 2.759 229 T HN 1.303 nan 8.240 nan 0.000 0.267 230 A N 1.104 123.925 122.820 0.001 0.000 1.898 230 A HA 0.361 4.681 4.320 -0.001 0.000 0.216 230 A C 2.645 180.252 177.584 0.038 0.000 1.181 230 A CA 3.615 55.663 52.037 0.019 0.000 0.620 230 A CB -0.666 18.345 19.000 0.018 0.000 0.819 230 A HN 2.044 nan 8.150 nan 0.000 0.442 231 V N -6.332 113.609 119.914 0.044 0.000 3.382 231 V HA 0.617 4.737 4.120 -0.001 0.000 0.296 231 V C 1.096 177.239 176.094 0.083 0.000 1.529 231 V CA 0.641 63.000 62.300 0.098 0.000 1.048 231 V CB -0.310 31.600 31.823 0.145 0.000 0.878 231 V HN 1.506 nan 8.190 nan 0.000 0.442 232 G N 1.488 110.234 108.800 -0.090 0.000 2.184 232 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.206 232 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.206 232 G C 0.831 175.357 174.900 -0.623 0.000 0.995 232 G CA 0.806 45.639 45.100 -0.446 0.000 0.651 232 G HN 1.153 nan 8.290 nan 0.000 0.511 233 T N -1.410 113.042 114.554 -0.170 0.000 3.129 233 T HA 0.429 4.779 4.350 -0.001 0.000 0.251 233 T C 2.362 177.038 174.700 -0.041 0.000 1.117 233 T CA 1.579 63.669 62.100 -0.017 0.000 1.034 233 T CB 0.253 69.211 68.868 0.149 0.000 0.968 233 T HN 2.126 nan 8.240 nan 0.000 0.526 234 G N 1.173 109.926 108.800 -0.078 0.000 2.196 234 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.268 234 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.268 234 G C 0.054 174.937 174.900 -0.028 0.000 0.975 234 G CA 0.252 45.324 45.100 -0.046 0.000 0.648 234 G HN 0.789 nan 8.290 nan 0.000 0.538 235 L N 0.401 121.616 121.223 -0.013 0.000 2.640 235 L HA 0.309 4.648 4.340 -0.001 0.000 0.280 235 L C 1.079 177.928 176.870 -0.034 0.000 1.229 235 L CA 1.620 56.454 54.840 -0.011 0.000 0.919 235 L CB -0.110 41.952 42.059 0.006 0.000 1.168 235 L HN 0.385 nan 8.230 nan 0.000 0.496 236 N N 1.443 120.118 118.700 -0.042 0.000 2.948 236 N HA -0.184 4.556 4.740 -0.001 0.000 0.239 236 N C -0.443 174.998 175.510 -0.116 0.000 0.954 236 N CA 1.251 54.261 53.050 -0.067 0.000 0.941 236 N CB -1.434 37.017 38.487 -0.060 0.000 1.101 236 N HN 0.854 nan 8.380 nan 0.000 0.579 237 A N 0.210 122.959 122.820 -0.118 0.000 2.340 237 A HA 0.754 5.073 4.320 -0.001 0.000 0.331 237 A C -2.200 175.326 177.584 -0.097 0.000 1.140 237 A CA -1.174 50.747 52.037 -0.193 0.000 0.801 237 A CB 1.314 20.204 19.000 -0.183 0.000 1.234 237 A HN -0.013 nan 8.150 nan 0.000 0.469 238 P HA 0.154 nan 4.420 nan 0.000 0.272 238 P C -0.572 176.767 177.300 0.067 0.000 1.223 238 P CA 0.056 63.163 63.100 0.011 0.000 0.784 238 P CB 0.586 32.317 31.700 0.052 0.000 0.923 239 D N 0.224 120.655 120.400 0.051 0.000 2.218 239 D HA -0.155 4.485 4.640 -0.001 0.000 0.204 239 D C 0.777 177.116 176.300 0.066 0.000 0.976 239 D CA 1.301 55.330 54.000 0.048 0.000 0.853 239 D CB -0.241 40.578 40.800 0.032 0.000 0.939 239 D HN 0.521 nan 8.370 nan 0.000 0.481 240 D N -0.600 119.851 120.400 0.086 0.000 2.559 240 D HA -0.031 4.608 4.640 -0.001 0.000 0.234 240 D C 0.979 177.338 176.300 0.097 0.000 1.226 240 D CA -0.540 53.501 54.000 0.068 0.000 0.830 240 D CB -0.594 40.230 40.800 0.040 0.000 1.028 240 D HN 0.134 nan 8.370 nan 0.000 0.492 241 F N 2.210 122.151 119.950 -0.015 0.000 2.075 241 F HA 0.053 4.580 4.527 -0.000 0.000 0.297 241 F C 2.292 178.082 175.800 -0.018 0.000 1.113 241 F CA 2.104 60.095 58.000 -0.014 0.000 1.218 241 F CB -0.427 38.564 39.000 -0.014 0.000 0.984 241 F HN 0.105 nan 8.300 nan 0.000 0.472 242 G N 0.197 109.017 108.800 0.033 0.000 2.514 242 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.217 242 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.217 242 G C 1.825 176.650 174.900 -0.125 0.000 1.198 242 G CA 1.620 46.679 45.100 -0.069 0.000 0.780 242 G HN 0.334 nan 8.290 nan 0.000 0.565 243 V N 0.743 120.613 119.914 -0.072 0.000 2.317 243 V HA -0.267 3.853 4.120 -0.001 0.000 0.251 243 V C 2.999 179.033 176.094 -0.100 0.000 1.065 243 V CA 2.441 64.700 62.300 -0.069 0.000 1.049 243 V CB -0.490 31.312 31.823 -0.036 0.000 0.651 243 V HN 0.355 nan 8.190 nan 0.000 0.450 244 R N -0.868 119.552 120.500 -0.134 0.000 2.073 244 R HA -0.070 4.270 4.340 -0.001 0.000 0.229 244 R C 2.228 178.404 176.300 -0.207 0.000 1.120 244 R CA 1.231 57.242 56.100 -0.149 0.000 0.967 244 R CB -0.446 29.772 30.300 -0.137 0.000 0.862 244 R HN 0.411 nan 8.270 nan 0.000 0.436 245 V N 0.505 120.217 119.914 -0.337 0.000 2.295 245 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 245 V C 2.309 178.292 176.094 -0.186 0.000 1.049 245 V CA 1.601 63.701 62.300 -0.333 0.000 1.024 245 V CB -0.323 31.206 31.823 -0.489 0.000 0.648 245 V HN 0.121 nan 8.190 nan 0.000 0.447 246 V N 0.371 120.193 119.914 -0.153 0.000 2.343 246 V HA -0.275 3.845 4.120 -0.001 0.000 0.247 246 V C 2.733 178.779 176.094 -0.080 0.000 1.051 246 V CA 1.980 64.220 62.300 -0.099 0.000 1.036 246 V CB -1.205 30.570 31.823 -0.080 0.000 0.654 246 V HN 0.563 nan 8.190 nan 0.000 0.451 247 A N -0.138 122.633 122.820 -0.081 0.000 1.892 247 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 247 A C 2.404 179.952 177.584 -0.060 0.000 1.188 247 A CA 2.336 54.336 52.037 -0.063 0.000 0.631 247 A CB -0.768 18.197 19.000 -0.059 0.000 0.822 247 A HN 0.350 nan 8.150 nan 0.000 0.447 248 V N -0.059 119.811 119.914 -0.074 0.000 2.343 248 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 248 V C 2.573 178.635 176.094 -0.053 0.000 1.051 248 V CA 1.929 64.191 62.300 -0.062 0.000 1.036 248 V CB -0.764 31.016 31.823 -0.072 0.000 0.654 248 V HN 0.564 nan 8.190 nan 0.000 0.451 249 L N -0.487 120.700 121.223 -0.061 0.000 2.017 249 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 249 L C 2.502 179.347 176.870 -0.043 0.000 1.073 249 L CA 1.268 56.078 54.840 -0.051 0.000 0.745 249 L CB -0.704 41.321 42.059 -0.056 0.000 0.894 249 L HN 0.187 nan 8.230 nan 0.000 0.432 250 V N 0.164 120.051 119.914 -0.043 0.000 2.282 250 V HA -0.353 3.767 4.120 -0.001 0.000 0.249 250 V C 2.738 178.813 176.094 -0.032 0.000 1.057 250 V CA 2.005 64.283 62.300 -0.037 0.000 1.032 250 V CB -1.035 30.767 31.823 -0.036 0.000 0.645 250 V HN 0.519 nan 8.190 nan 0.000 0.447 251 A N -1.153 121.648 122.820 -0.032 0.000 1.930 251 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 251 A C 2.196 179.766 177.584 -0.025 0.000 1.175 251 A CA 1.788 53.809 52.037 -0.027 0.000 0.627 251 A CB -0.385 18.599 19.000 -0.027 0.000 0.815 251 A HN 0.637 nan 8.150 nan 0.000 0.443 252 Q N -0.975 118.810 119.800 -0.026 0.000 2.096 252 Q HA -0.092 4.247 4.340 -0.001 0.000 0.197 252 Q C 2.268 178.255 176.000 -0.023 0.000 0.964 252 Q CA 1.837 57.626 55.803 -0.022 0.000 0.838 252 Q CB -0.197 28.528 28.738 -0.021 0.000 0.906 252 Q HN 0.856 nan 8.270 nan 0.000 0.444 253 T N -4.005 110.533 114.554 -0.027 0.000 3.051 253 T HA 0.205 4.555 4.350 -0.001 0.000 0.255 253 T C 1.433 176.115 174.700 -0.031 0.000 1.085 253 T CA 0.630 62.713 62.100 -0.029 0.000 1.109 253 T CB 0.426 69.274 68.868 -0.033 0.000 0.921 253 T HN 0.422 nan 8.240 nan 0.000 0.488 254 G N 1.395 110.177 108.800 -0.030 0.000 2.143 254 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.248 254 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.248 254 G C -0.030 174.850 174.900 -0.033 0.000 0.991 254 G CA 0.190 45.272 45.100 -0.030 0.000 0.689 254 G HN 0.622 nan 8.290 nan 0.000 0.522 255 L N 2.238 123.441 121.223 -0.034 0.000 2.328 255 L HA 0.340 4.680 4.340 -0.001 0.000 0.280 255 L C 1.947 178.799 176.870 -0.030 0.000 1.111 255 L CA 0.144 54.963 54.840 -0.035 0.000 0.909 255 L CB 1.036 43.072 42.059 -0.039 0.000 1.277 255 L HN 0.342 nan 8.230 nan 0.000 0.433 256 S N -0.186 115.498 115.700 -0.027 0.000 2.469 256 S HA -0.157 4.313 4.470 -0.001 0.000 0.238 256 S C 1.343 175.931 174.600 -0.020 0.000 0.998 256 S CA 0.719 58.905 58.200 -0.023 0.000 0.957 256 S CB -0.054 63.133 63.200 -0.020 0.000 0.764 256 S HN 0.631 nan 8.310 nan 0.000 0.514 257 E N 1.124 121.312 120.200 -0.020 0.000 2.274 257 E HA 0.220 4.570 4.350 -0.001 0.000 0.194 257 E C 0.290 176.883 176.600 -0.012 0.000 0.996 257 E CA 0.109 56.501 56.400 -0.014 0.000 0.840 257 E CB -0.307 29.385 29.700 -0.013 0.000 0.772 257 E HN 0.588 nan 8.360 nan 0.000 0.491 258 L N 2.134 123.346 121.223 -0.019 0.000 2.456 258 L HA 0.235 4.575 4.340 -0.001 0.000 0.272 258 L C 0.506 177.361 176.870 -0.025 0.000 1.189 258 L CA 0.159 54.986 54.840 -0.021 0.000 0.846 258 L CB 0.258 42.299 42.059 -0.030 0.000 1.111 258 L HN 0.120 nan 8.230 nan 0.000 0.475 259 R N 0.079 120.563 120.500 -0.028 0.000 2.664 259 R HA 0.425 4.764 4.340 -0.001 0.000 0.266 259 R C -0.903 175.372 176.300 -0.041 0.000 1.046 259 R CA -0.876 55.205 56.100 -0.031 0.000 0.885 259 R CB 0.917 31.205 30.300 -0.021 0.000 1.254 259 R HN 0.556 nan 8.270 nan 0.000 0.465 260 T N -0.193 114.336 114.554 -0.042 0.000 2.903 260 T HA 0.417 4.766 4.350 -0.001 0.000 0.314 260 T C 0.815 175.488 174.700 -0.045 0.000 1.078 260 T CA -0.165 61.907 62.100 -0.047 0.000 1.114 260 T CB 0.792 69.635 68.868 -0.042 0.000 0.987 260 T HN 0.751 nan 8.240 nan 0.000 0.548 261 A N 1.530 124.316 122.820 -0.056 0.000 2.462 261 A HA 0.602 4.921 4.320 -0.001 0.000 0.243 261 A C 1.790 179.357 177.584 -0.028 0.000 1.076 261 A CA -0.198 51.808 52.037 -0.051 0.000 0.773 261 A CB -0.474 18.484 19.000 -0.070 0.000 1.010 261 A HN 1.374 nan 8.150 nan 0.000 0.493 262 A N 1.948 124.760 122.820 -0.013 0.000 1.908 262 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 262 A C 1.141 178.733 177.584 0.015 0.000 1.181 262 A CA 1.816 53.855 52.037 0.003 0.000 0.627 262 A CB -0.273 18.733 19.000 0.010 0.000 0.818 262 A HN 0.847 nan 8.150 nan 0.000 0.445 263 N N -1.022 117.689 118.700 0.019 0.000 2.461 263 N HA 0.164 4.904 4.740 -0.001 0.000 0.284 263 N C 0.501 176.018 175.510 0.011 0.000 1.049 263 N CA 0.544 53.626 53.050 0.053 0.000 0.889 263 N CB 1.867 40.414 38.487 0.100 0.000 1.365 263 N HN 0.160 nan 8.380 nan 0.000 0.499 264 S N 2.621 118.274 115.700 -0.079 0.000 2.481 264 S HA 0.012 4.481 4.470 -0.001 0.000 0.231 264 S C 1.268 175.679 174.600 -0.315 0.000 0.996 264 S CA 0.457 58.512 58.200 -0.242 0.000 0.942 264 S CB -0.365 62.613 63.200 -0.371 0.000 0.768 264 S HN 0.491 nan 8.310 nan 0.000 0.520 265 F N 1.907 121.867 119.950 0.016 0.000 2.220 265 F HA 0.258 4.784 4.527 -0.001 0.000 0.290 265 F C 2.794 178.606 175.800 0.020 0.000 1.080 265 F CA 0.730 58.744 58.000 0.023 0.000 1.318 265 F CB -0.433 38.583 39.000 0.026 0.000 1.063 265 F HN 0.178 nan 8.300 nan 0.000 0.498 266 E N 1.345 121.662 120.200 0.196 0.000 2.209 266 E HA -0.205 4.145 4.350 -0.001 0.000 0.196 266 E C 2.034 178.668 176.600 0.057 0.000 0.993 266 E CA 1.181 57.644 56.400 0.105 0.000 0.819 266 E CB -0.141 29.606 29.700 0.078 0.000 0.745 266 E HN 0.332 nan 8.360 nan 0.000 0.477 267 A N 0.080 122.912 122.820 0.021 0.000 2.206 267 A HA -0.048 4.272 4.320 -0.001 0.000 0.211 267 A C 1.807 179.379 177.584 -0.020 0.000 1.158 267 A CA 0.677 52.695 52.037 -0.032 0.000 0.761 267 A CB 0.034 18.988 19.000 -0.077 0.000 0.801 267 A HN 0.280 nan 8.150 nan 0.000 0.473 268 Q N -2.034 117.779 119.800 0.022 0.000 2.404 268 Q HA 0.266 4.606 4.340 -0.001 0.000 0.262 268 Q C 1.976 178.029 176.000 0.088 0.000 0.846 268 Q CA 0.560 56.391 55.803 0.047 0.000 0.978 268 Q CB 0.218 28.975 28.738 0.032 0.000 1.156 268 Q HN 0.516 nan 8.270 nan 0.000 0.548 269 A N 0.968 123.850 122.820 0.104 0.000 2.119 269 A HA 0.380 4.700 4.320 -0.001 0.000 0.217 269 A C 0.909 178.545 177.584 0.086 0.000 1.153 269 A CA 1.079 53.182 52.037 0.110 0.000 0.692 269 A CB 0.065 19.137 19.000 0.119 0.000 0.799 269 A HN 0.279 nan 8.150 nan 0.000 0.458 270 A N -1.536 121.332 122.820 0.080 0.000 2.566 270 A HA 0.761 5.080 4.320 -0.001 0.000 0.292 270 A C -0.151 177.489 177.584 0.093 0.000 1.112 270 A CA -0.698 51.382 52.037 0.072 0.000 0.707 270 A CB 0.933 19.962 19.000 0.049 0.000 1.302 270 A HN 0.007 nan 8.150 nan 0.000 0.409 271 R N 0.569 121.131 120.500 0.102 0.000 2.727 271 R HA 0.163 4.503 4.340 -0.001 0.000 0.410 271 R C -0.646 175.728 176.300 0.123 0.000 1.101 271 R CA -0.201 55.989 56.100 0.151 0.000 1.045 271 R CB 0.316 30.710 30.300 0.158 0.000 1.380 271 R HN 0.767 nan 8.270 nan 0.000 0.587 272 D N 0.068 120.524 120.400 0.093 0.000 2.178 272 D HA -0.102 4.538 4.640 -0.001 0.000 0.201 272 D C 1.828 178.177 176.300 0.082 0.000 0.980 272 D CA 1.533 55.572 54.000 0.065 0.000 0.842 272 D CB 0.057 40.883 40.800 0.043 0.000 0.948 272 D HN 0.392 nan 8.370 nan 0.000 0.472 273 G N 0.808 109.691 108.800 0.138 0.000 2.442 273 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.219 273 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.219 273 G C 1.723 176.678 174.900 0.091 0.000 1.141 273 G CA 0.308 45.501 45.100 0.156 0.000 0.763 273 G HN 0.270 nan 8.290 nan 0.000 0.554 274 L N 0.204 121.460 121.223 0.056 0.000 2.093 274 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 274 L C 2.961 179.834 176.870 0.006 0.000 1.085 274 L CA 0.375 55.202 54.840 -0.022 0.000 0.755 274 L CB -0.548 41.482 42.059 -0.047 0.000 0.904 274 L HN 0.084 nan 8.230 nan 0.000 0.435 275 V N 0.136 120.064 119.914 0.024 0.000 2.343 275 V HA -0.285 3.835 4.120 -0.001 0.000 0.247 275 V C 2.504 178.603 176.094 0.007 0.000 1.051 275 V CA 1.983 64.290 62.300 0.012 0.000 1.036 275 V CB -0.498 31.333 31.823 0.014 0.000 0.654 275 V HN 0.520 nan 8.190 nan 0.000 0.451 276 E N 0.458 120.670 120.200 0.020 0.000 2.077 276 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 276 E C 2.208 178.815 176.600 0.012 0.000 0.989 276 E CA 1.467 57.878 56.400 0.019 0.000 0.800 276 E CB -0.192 29.528 29.700 0.033 0.000 0.746 276 E HN 0.560 nan 8.360 nan 0.000 0.452 277 A N 0.435 123.266 122.820 0.019 0.000 1.898 277 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 277 A C 2.330 179.875 177.584 -0.066 0.000 1.181 277 A CA 1.552 53.600 52.037 0.018 0.000 0.620 277 A CB -0.722 18.333 19.000 0.093 0.000 0.819 277 A HN 0.322 nan 8.150 nan 0.000 0.442 278 S N -0.439 115.217 115.700 -0.073 0.000 2.383 278 S HA -0.091 4.379 4.470 -0.001 0.000 0.229 278 S C 2.018 176.568 174.600 -0.084 0.000 1.030 278 S CA 1.718 59.853 58.200 -0.109 0.000 1.002 278 S CB -0.648 62.512 63.200 -0.068 0.000 0.829 278 S HN 0.727 nan 8.310 nan 0.000 0.467 279 G N 0.583 109.355 108.800 -0.047 0.000 2.442 279 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.219 279 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.219 279 G C 1.607 176.483 174.900 -0.039 0.000 1.141 279 G CA 1.010 46.090 45.100 -0.033 0.000 0.763 279 G HN 0.668 nan 8.290 nan 0.000 0.554 280 A N 0.494 123.289 122.820 -0.042 0.000 1.897 280 A HA 0.182 4.501 4.320 -0.001 0.000 0.215 280 A C 2.427 179.972 177.584 -0.065 0.000 1.181 280 A CA 1.063 53.079 52.037 -0.035 0.000 0.620 280 A CB -0.343 18.651 19.000 -0.011 0.000 0.821 280 A HN 0.337 nan 8.150 nan 0.000 0.443 281 L N -0.889 120.255 121.223 -0.130 0.000 2.046 281 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 281 L C 2.806 179.609 176.870 -0.112 0.000 1.077 281 L CA 1.833 56.567 54.840 -0.176 0.000 0.747 281 L CB -0.574 41.290 42.059 -0.326 0.000 0.896 281 L HN 0.491 nan 8.230 nan 0.000 0.432 282 R N -0.112 120.333 120.500 -0.091 0.000 2.096 282 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 282 R C 2.159 178.434 176.300 -0.042 0.000 1.127 282 R CA 1.865 57.928 56.100 -0.062 0.000 0.968 282 R CB -0.195 30.077 30.300 -0.047 0.000 0.861 282 R HN 0.233 nan 8.270 nan 0.000 0.440 283 T N 1.179 115.712 114.554 -0.034 0.000 2.821 283 T HA -0.062 4.288 4.350 -0.001 0.000 0.267 283 T C 1.783 176.475 174.700 -0.014 0.000 1.046 283 T CA 1.377 63.466 62.100 -0.018 0.000 1.139 283 T CB -0.079 68.783 68.868 -0.010 0.000 0.871 283 T HN 0.212 nan 8.240 nan 0.000 0.454 284 I N 1.319 121.878 120.570 -0.020 0.000 2.286 284 I HA -0.165 4.005 4.170 -0.001 0.000 0.248 284 I C 2.851 178.957 176.117 -0.019 0.000 1.115 284 I CA 0.995 62.289 61.300 -0.010 0.000 1.392 284 I CB -0.422 37.572 38.000 -0.010 0.000 1.065 284 I HN 0.180 nan 8.210 nan 0.000 0.418 285 A N 0.400 123.198 122.820 -0.036 0.000 1.902 285 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 285 A C 2.445 180.008 177.584 -0.036 0.000 1.181 285 A CA 1.653 53.664 52.037 -0.043 0.000 0.623 285 A CB -0.920 18.049 19.000 -0.052 0.000 0.818 285 A HN 0.234 nan 8.150 nan 0.000 0.443 286 V N -0.095 119.803 119.914 -0.025 0.000 2.295 286 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 286 V C 2.819 178.906 176.094 -0.012 0.000 1.049 286 V CA 2.384 64.674 62.300 -0.017 0.000 1.024 286 V CB -0.850 30.967 31.823 -0.010 0.000 0.648 286 V HN 0.573 nan 8.190 nan 0.000 0.447 287 S N 0.043 115.741 115.700 -0.003 0.000 2.348 287 S HA -0.139 4.331 4.470 -0.001 0.000 0.221 287 S C 1.918 176.513 174.600 -0.009 0.000 1.033 287 S CA 1.611 59.817 58.200 0.009 0.000 1.010 287 S CB -0.408 62.809 63.200 0.029 0.000 0.891 287 S HN 0.457 nan 8.310 nan 0.000 0.442 288 L N 1.041 122.254 121.223 -0.016 0.000 2.042 288 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 288 L C 2.703 179.524 176.870 -0.082 0.000 1.076 288 L CA 1.234 56.051 54.840 -0.039 0.000 0.749 288 L CB -1.266 40.761 42.059 -0.053 0.000 0.893 288 L HN 0.322 nan 8.230 nan 0.000 0.432 289 T N -0.645 113.868 114.554 -0.068 0.000 2.684 289 T HA -0.227 4.123 4.350 -0.001 0.000 0.267 289 T C 2.024 176.693 174.700 -0.052 0.000 1.036 289 T CA 1.239 63.300 62.100 -0.064 0.000 1.148 289 T CB -0.130 68.714 68.868 -0.040 0.000 0.863 289 T HN 0.143 nan 8.240 nan 0.000 0.436 290 K N 0.882 121.258 120.400 -0.041 0.000 2.009 290 K HA -0.050 4.269 4.320 -0.001 0.000 0.210 290 K C 2.289 178.814 176.600 -0.125 0.000 1.049 290 K CA 1.422 57.686 56.287 -0.039 0.000 0.929 290 K CB -0.663 31.831 32.500 -0.009 0.000 0.714 290 K HN 0.374 nan 8.250 nan 0.000 0.440 291 I N 0.843 121.284 120.570 -0.213 0.000 2.127 291 I HA -0.297 3.872 4.170 -0.001 0.000 0.241 291 I C 2.485 178.454 176.117 -0.246 0.000 1.075 291 I CA 1.503 62.519 61.300 -0.473 0.000 1.334 291 I CB -0.386 37.408 38.000 -0.343 0.000 1.040 291 I HN 0.141 nan 8.210 nan 0.000 0.405 292 A N 0.520 123.278 122.820 -0.104 0.000 1.972 292 A HA -0.189 4.131 4.320 -0.001 0.000 0.219 292 A C 2.100 179.668 177.584 -0.028 0.000 1.169 292 A CA 1.722 53.715 52.037 -0.073 0.000 0.635 292 A CB -0.601 18.241 19.000 -0.262 0.000 0.810 292 A HN 0.417 nan 8.150 nan 0.000 0.446 293 N N 0.389 119.082 118.700 -0.012 0.000 2.171 293 N HA -0.118 4.622 4.740 -0.001 0.000 0.184 293 N C 1.108 176.743 175.510 0.209 0.000 1.021 293 N CA 1.459 54.570 53.050 0.102 0.000 0.854 293 N CB -0.402 38.170 38.487 0.142 0.000 0.994 293 N HN 0.393 nan 8.380 nan 0.000 0.426 294 D N 0.965 121.427 120.400 0.103 0.000 2.123 294 D HA -0.085 4.554 4.640 -0.001 0.000 0.196 294 D C 2.074 178.484 176.300 0.184 0.000 0.992 294 D CA 0.607 54.696 54.000 0.149 0.000 0.833 294 D CB -0.246 40.593 40.800 0.066 0.000 0.954 294 D HN 0.295 nan 8.370 nan 0.000 0.455 295 I N 0.888 121.517 120.570 0.100 0.000 2.315 295 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 295 I C 2.500 178.713 176.117 0.159 0.000 1.117 295 I CA 0.915 62.319 61.300 0.172 0.000 1.404 295 I CB -0.101 38.017 38.000 0.197 0.000 1.071 295 I HN 0.037 nan 8.210 nan 0.000 0.419 296 R N -0.090 120.463 120.500 0.088 0.000 2.153 296 R HA -0.132 4.207 4.340 -0.001 0.000 0.218 296 R C 1.901 178.164 176.300 -0.062 0.000 1.072 296 R CA 0.923 57.011 56.100 -0.020 0.000 0.990 296 R CB -0.834 29.390 30.300 -0.126 0.000 0.889 296 R HN 0.302 nan 8.270 nan 0.000 0.452 297 W N 1.564 122.892 121.300 0.046 0.000 2.381 297 W HA 0.082 4.742 4.660 -0.001 0.000 0.301 297 W C 2.349 178.906 176.519 0.062 0.000 1.205 297 W CA 0.846 58.219 57.345 0.046 0.000 1.285 297 W CB -0.056 29.428 29.460 0.039 0.000 1.133 297 W HN -0.024 nan 8.180 nan 0.000 0.521 298 M N -0.232 119.552 119.600 0.307 0.000 2.159 298 M HA -0.088 4.392 4.480 -0.001 0.000 0.263 298 M C 2.373 178.776 176.300 0.171 0.000 1.063 298 M CA 1.894 57.334 55.300 0.233 0.000 1.110 298 M CB -1.207 31.539 32.600 0.244 0.000 1.374 298 M HN 0.148 nan 8.290 nan 0.000 0.411 299 G N 0.429 109.312 108.800 0.139 0.000 2.422 299 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.218 299 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.218 299 G C 0.763 175.700 174.900 0.063 0.000 1.146 299 G CA 0.683 45.835 45.100 0.086 0.000 0.769 299 G HN 0.564 nan 8.290 nan 0.000 0.547 300 S N 0.382 116.119 115.700 0.062 0.000 2.562 300 S HA 0.493 4.963 4.470 -0.001 0.000 0.281 300 S C 0.704 175.311 174.600 0.012 0.000 1.333 300 S CA -0.269 57.920 58.200 -0.019 0.000 1.052 300 S CB 1.391 64.512 63.200 -0.133 0.000 0.884 300 S HN 0.490 nan 8.310 nan 0.000 0.506 301 G N 1.841 110.629 108.800 -0.021 0.000 2.569 301 G HA2 0.427 4.387 3.960 -0.001 0.000 0.249 301 G HA3 0.427 4.387 3.960 -0.001 0.000 0.249 301 G C -1.159 173.741 174.900 0.001 0.000 1.216 301 G CA -1.481 43.612 45.100 -0.011 0.000 0.845 301 G HN 0.606 nan 8.290 nan 0.000 0.568 302 P HA -0.089 nan 4.420 nan 0.000 0.217 302 P C 1.745 179.035 177.300 -0.016 0.000 1.151 302 P CA 0.551 63.642 63.100 -0.015 0.000 0.828 302 P CB 0.300 31.985 31.700 -0.024 0.000 0.788 303 L N 0.038 121.257 121.223 -0.007 0.000 2.253 303 L HA 0.113 4.453 4.340 -0.001 0.000 0.205 303 L C 1.964 178.844 176.870 0.018 0.000 1.078 303 L CA 2.096 56.933 54.840 -0.004 0.000 0.805 303 L CB -1.280 40.776 42.059 -0.005 0.000 0.963 303 L HN 0.003 nan 8.230 nan 0.000 0.459 304 T N -3.166 111.406 114.554 0.029 0.000 3.105 304 T HA 0.465 4.815 4.350 -0.001 0.000 0.253 304 T C 0.778 175.527 174.700 0.081 0.000 1.047 304 T CA 0.083 62.212 62.100 0.048 0.000 0.944 304 T CB -0.209 68.684 68.868 0.042 0.000 1.016 304 T HN 0.306 nan 8.240 nan 0.000 0.544 305 G N 0.831 109.683 108.800 0.086 0.000 3.122 305 G HA2 0.551 4.511 3.960 -0.001 0.000 0.180 305 G HA3 0.551 4.511 3.960 -0.001 0.000 0.180 305 G C 0.044 175.035 174.900 0.152 0.000 1.279 305 G CA -0.736 44.451 45.100 0.144 0.000 0.987 305 G HN 0.125 nan 8.290 nan 0.000 0.589 306 L N 0.569 121.908 121.223 0.193 0.000 2.209 306 L HA 0.310 4.650 4.340 -0.001 0.000 0.207 306 L C 2.470 179.439 176.870 0.165 0.000 1.094 306 L CA 1.256 56.204 54.840 0.181 0.000 0.790 306 L CB -0.984 41.198 42.059 0.206 0.000 0.932 306 L HN 1.016 nan 8.230 nan 0.000 0.447 307 A N -0.401 122.488 122.820 0.116 0.000 2.748 307 A HA -0.295 4.024 4.320 -0.001 0.000 0.297 307 A C 1.656 179.299 177.584 0.098 0.000 1.508 307 A CA 1.199 53.271 52.037 0.059 0.000 0.799 307 A CB -1.904 17.068 19.000 -0.045 0.000 1.011 307 A HN 0.580 nan 8.150 nan 0.000 0.500 308 E N -0.887 119.387 120.200 0.123 0.000 2.158 308 E HA 0.153 4.503 4.350 -0.001 0.000 0.191 308 E C 1.166 177.777 176.600 0.019 0.000 0.982 308 E CA 1.201 57.660 56.400 0.098 0.000 0.823 308 E CB 0.002 29.753 29.700 0.085 0.000 0.766 308 E HN 1.071 nan 8.360 nan 0.000 0.468 309 I N -2.422 118.173 120.570 0.042 0.000 3.174 309 I HA 0.386 4.555 4.170 -0.001 0.000 0.313 309 I C -1.419 174.734 176.117 0.060 0.000 1.155 309 I CA -1.195 60.121 61.300 0.026 0.000 0.977 309 I CB 2.100 40.148 38.000 0.079 0.000 1.248 309 I HN -0.287 nan 8.210 nan 0.000 0.453 310 Q N 2.603 122.445 119.800 0.071 0.000 2.327 310 Q HA 0.531 4.871 4.340 -0.001 0.000 0.270 310 Q C -1.503 174.552 176.000 0.092 0.000 1.022 310 Q CA -0.878 54.965 55.803 0.067 0.000 0.773 310 Q CB 2.710 31.475 28.738 0.045 0.000 1.251 310 Q HN 0.441 nan 8.270 nan 0.000 0.457 311 L N 4.723 125.997 121.223 0.085 0.000 2.426 311 L HA 0.289 4.629 4.340 -0.001 0.000 0.271 311 L C -1.877 175.032 176.870 0.065 0.000 1.169 311 L CA -1.163 53.730 54.840 0.089 0.000 0.836 311 L CB -0.195 41.916 42.059 0.086 0.000 1.112 311 L HN 0.436 nan 8.230 nan 0.000 0.465 312 P HA 0.039 nan 4.420 nan 0.000 0.272 312 P C -0.824 176.500 177.300 0.040 0.000 1.223 312 P CA -0.454 62.673 63.100 0.046 0.000 0.784 312 P CB 0.681 32.405 31.700 0.040 0.000 0.923 313 D N 1.057 121.475 120.400 0.030 0.000 2.302 313 D HA 0.057 4.696 4.640 -0.001 0.000 0.248 313 D C 1.274 177.590 176.300 0.025 0.000 1.094 313 D CA -0.386 53.629 54.000 0.025 0.000 0.897 313 D CB 1.089 41.900 40.800 0.018 0.000 1.200 313 D HN 0.041 nan 8.370 nan 0.000 0.429 314 L N 2.068 123.306 121.223 0.025 0.000 2.187 314 L HA -0.134 4.206 4.340 -0.001 0.000 0.213 314 L C 1.110 177.992 176.870 0.019 0.000 1.100 314 L CA 1.444 56.299 54.840 0.025 0.000 0.765 314 L CB -0.542 41.531 42.059 0.023 0.000 0.904 314 L HN 0.402 nan 8.230 nan 0.000 0.437 315 Q N -0.057 119.753 119.800 0.016 0.000 3.412 315 Q HA 0.310 4.650 4.340 -0.001 0.000 0.219 315 Q C -2.417 173.590 176.000 0.011 0.000 0.913 315 Q CA -1.266 54.544 55.803 0.013 0.000 0.722 315 Q CB 0.784 29.528 28.738 0.011 0.000 1.385 315 Q HN 0.026 nan 8.270 nan 0.000 0.461 324 K N 2.884 123.282 120.400 -0.004 0.000 2.842 324 K HA 0.479 4.799 4.320 -0.001 0.000 0.176 324 K C -0.226 176.371 176.600 -0.006 0.000 1.080 324 K CA -0.426 55.857 56.287 -0.006 0.000 0.954 324 K CB 1.212 33.706 32.500 -0.010 0.000 1.203 324 K HN 0.263 nan 8.250 nan 0.000 0.611 325 V N 3.179 123.093 119.914 -0.000 0.000 2.508 325 V HA 0.082 4.201 4.120 -0.001 0.000 0.281 325 V C 0.286 176.378 176.094 -0.004 0.000 1.041 325 V CA -0.575 61.727 62.300 0.003 0.000 1.016 325 V CB 0.709 32.541 31.823 0.015 0.000 0.984 325 V HN 0.608 nan 8.190 nan 0.000 0.478 326 N N 7.112 125.806 118.700 -0.009 0.000 2.513 326 N HA 0.206 4.946 4.740 -0.001 0.000 0.268 326 N C -2.004 173.499 175.510 -0.013 0.000 1.180 326 N CA -1.505 51.532 53.050 -0.021 0.000 0.948 326 N CB 0.975 39.447 38.487 -0.025 0.000 1.083 326 N HN 0.433 nan 8.380 nan 0.000 0.455 327 P HA 0.033 nan 4.420 nan 0.000 0.232 327 P C 0.835 178.125 177.300 -0.016 0.000 1.738 327 P CA 0.008 63.099 63.100 -0.013 0.000 0.948 327 P CB 0.033 31.703 31.700 -0.050 0.000 1.943 328 V N 0.892 120.805 119.914 -0.003 0.000 2.343 328 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 328 V C 2.302 178.390 176.094 -0.011 0.000 1.051 328 V CA 1.605 63.899 62.300 -0.009 0.000 1.036 328 V CB -0.660 31.163 31.823 0.001 0.000 0.654 328 V HN 0.207 nan 8.190 nan 0.000 0.451 329 L N -0.164 121.074 121.223 0.025 0.000 2.072 329 L HA 0.003 4.343 4.340 -0.001 0.000 0.205 329 L C -0.053 176.753 176.870 -0.106 0.000 1.079 329 L CA 2.141 56.995 54.840 0.025 0.000 0.752 329 L CB -2.104 40.057 42.059 0.170 0.000 0.906 329 L HN 0.276 nan 8.230 nan 0.000 0.436 330 P HA -0.173 nan 4.420 nan 0.000 0.218 330 P C 1.372 178.568 177.300 -0.174 0.000 1.148 330 P CA 1.279 64.266 63.100 -0.187 0.000 0.822 330 P CB 0.099 31.768 31.700 -0.052 0.000 0.784 331 E N -0.654 119.478 120.200 -0.114 0.000 2.106 331 E HA -0.122 4.228 4.350 -0.001 0.000 0.192 331 E C 2.093 178.630 176.600 -0.106 0.000 0.984 331 E CA 1.087 57.426 56.400 -0.101 0.000 0.806 331 E CB -0.495 29.161 29.700 -0.075 0.000 0.750 331 E HN 0.145 nan 8.360 nan 0.000 0.458 332 A N 0.829 123.584 122.820 -0.108 0.000 1.877 332 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 332 A C 2.493 179.990 177.584 -0.145 0.000 1.186 332 A CA 1.256 53.232 52.037 -0.102 0.000 0.620 332 A CB -0.731 18.223 19.000 -0.077 0.000 0.822 332 A HN 0.119 nan 8.150 nan 0.000 0.443 333 V N 0.735 120.503 119.914 -0.242 0.000 2.287 333 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 333 V C 3.040 179.012 176.094 -0.203 0.000 1.053 333 V CA 2.582 64.703 62.300 -0.299 0.000 1.027 333 V CB -1.581 29.884 31.823 -0.597 0.000 0.646 333 V HN 0.855 nan 8.190 nan 0.000 0.447 334 T N -1.984 112.462 114.554 -0.180 0.000 2.821 334 T HA -0.242 4.107 4.350 -0.001 0.000 0.267 334 T C 1.799 176.447 174.700 -0.087 0.000 1.046 334 T CA 1.520 63.549 62.100 -0.118 0.000 1.139 334 T CB -0.362 68.448 68.868 -0.096 0.000 0.871 334 T HN 0.538 nan 8.240 nan 0.000 0.454 335 Q N 0.513 120.263 119.800 -0.084 0.000 2.061 335 Q HA -0.052 4.288 4.340 -0.001 0.000 0.204 335 Q C 2.650 178.614 176.000 -0.060 0.000 0.984 335 Q CA 1.588 57.353 55.803 -0.062 0.000 0.846 335 Q CB -0.547 28.157 28.738 -0.056 0.000 0.902 335 Q HN 0.420 nan 8.270 nan 0.000 0.421 336 V N 1.093 120.965 119.914 -0.070 0.000 2.332 336 V HA -0.324 3.795 4.120 -0.001 0.000 0.248 336 V C 2.304 178.359 176.094 -0.064 0.000 1.055 336 V CA 1.896 64.158 62.300 -0.063 0.000 1.038 336 V CB -1.004 30.777 31.823 -0.069 0.000 0.651 336 V HN 0.434 nan 8.190 nan 0.000 0.450 337 A N -0.104 122.672 122.820 -0.074 0.000 1.908 337 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 337 A C 2.444 179.997 177.584 -0.052 0.000 1.181 337 A CA 2.315 54.313 52.037 -0.065 0.000 0.627 337 A CB -0.876 18.082 19.000 -0.069 0.000 0.818 337 A HN 0.612 nan 8.150 nan 0.000 0.445 338 A N -1.137 121.654 122.820 -0.047 0.000 1.908 338 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 338 A C 2.152 179.716 177.584 -0.035 0.000 1.181 338 A CA 2.215 54.230 52.037 -0.037 0.000 0.627 338 A CB -0.529 18.451 19.000 -0.034 0.000 0.818 338 A HN 0.550 nan 8.150 nan 0.000 0.445 339 Q N -0.298 119.479 119.800 -0.038 0.000 2.119 339 Q HA -0.081 4.259 4.340 -0.001 0.000 0.201 339 Q C 1.858 177.835 176.000 -0.039 0.000 0.972 339 Q CA 1.910 57.693 55.803 -0.034 0.000 0.847 339 Q CB -0.474 28.245 28.738 -0.032 0.000 0.903 339 Q HN 0.362 nan 8.270 nan 0.000 0.433 340 V N 0.097 119.981 119.914 -0.050 0.000 2.427 340 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 340 V C 2.125 178.186 176.094 -0.053 0.000 1.051 340 V CA 1.596 63.858 62.300 -0.063 0.000 1.048 340 V CB -0.440 31.335 31.823 -0.079 0.000 0.666 340 V HN 0.366 nan 8.190 nan 0.000 0.456 341 I N 0.620 121.165 120.570 -0.042 0.000 2.252 341 I HA -0.150 4.020 4.170 -0.001 0.000 0.245 341 I C 2.539 178.644 176.117 -0.021 0.000 1.102 341 I CA 1.681 62.963 61.300 -0.030 0.000 1.385 341 I CB -0.751 37.234 38.000 -0.025 0.000 1.064 341 I HN 0.379 nan 8.210 nan 0.000 0.414 342 G N 0.626 109.413 108.800 -0.022 0.000 2.433 342 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.216 342 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.216 342 G C 1.412 176.304 174.900 -0.013 0.000 1.186 342 G CA 0.847 45.937 45.100 -0.018 0.000 0.779 342 G HN 0.294 nan 8.290 nan 0.000 0.543 343 N N 0.923 119.612 118.700 -0.018 0.000 2.137 343 N HA -0.112 4.628 4.740 -0.001 0.000 0.190 343 N C 1.785 177.289 175.510 -0.009 0.000 1.017 343 N CA 1.537 54.579 53.050 -0.013 0.000 0.859 343 N CB -0.506 37.964 38.487 -0.028 0.000 1.002 343 N HN 0.525 nan 8.380 nan 0.000 0.428 344 D N -0.055 120.332 120.400 -0.021 0.000 2.219 344 D HA 0.000 4.640 4.640 -0.001 0.000 0.205 344 D C 1.692 178.001 176.300 0.014 0.000 0.970 344 D CA 1.084 55.074 54.000 -0.017 0.000 0.851 344 D CB -0.007 40.773 40.800 -0.032 0.000 0.943 344 D HN 0.258 nan 8.370 nan 0.000 0.488 345 A N 0.358 123.192 122.820 0.023 0.000 1.929 345 A HA 0.161 4.481 4.320 -0.001 0.000 0.216 345 A C 2.366 180.006 177.584 0.094 0.000 1.176 345 A CA 1.556 53.628 52.037 0.058 0.000 0.628 345 A CB -0.917 18.110 19.000 0.044 0.000 0.816 345 A HN 0.321 nan 8.150 nan 0.000 0.444 346 A N -0.194 122.658 122.820 0.054 0.000 1.969 346 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 346 A C 2.040 179.695 177.584 0.118 0.000 1.169 346 A CA 1.439 53.518 52.037 0.069 0.000 0.635 346 A CB -0.543 18.479 19.000 0.038 0.000 0.810 346 A HN 0.478 nan 8.150 nan 0.000 0.445 347 I N -0.394 120.223 120.570 0.078 0.000 2.353 347 I HA -0.206 3.964 4.170 -0.001 0.000 0.248 347 I C 2.874 179.030 176.117 0.065 0.000 1.119 347 I CA 0.979 62.318 61.300 0.066 0.000 1.417 347 I CB -0.177 37.840 38.000 0.028 0.000 1.078 347 I HN 0.322 nan 8.210 nan 0.000 0.421 348 A N 0.398 123.260 122.820 0.069 0.000 1.930 348 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 348 A C 2.243 179.851 177.584 0.040 0.000 1.175 348 A CA 1.032 53.094 52.037 0.043 0.000 0.627 348 A CB -0.980 18.044 19.000 0.040 0.000 0.815 348 A HN 0.693 nan 8.150 nan 0.000 0.443 349 W N 0.836 122.081 121.300 -0.091 0.000 2.355 349 W HA -0.131 4.528 4.660 -0.001 0.000 0.309 349 W C 2.040 178.385 176.519 -0.289 0.000 1.206 349 W CA 1.935 59.198 57.345 -0.136 0.000 1.284 349 W CB -0.725 28.685 29.460 -0.083 0.000 1.145 349 W HN 0.344 nan 8.180 nan 0.000 0.502 350 G N 0.121 108.929 108.800 0.014 0.000 2.421 350 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.217 350 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.217 350 G C 1.715 176.438 174.900 -0.294 0.000 1.143 350 G CA 1.014 45.891 45.100 -0.372 0.000 0.784 350 G HN 0.412 nan 8.290 nan 0.000 0.541 351 G N 0.928 109.663 108.800 -0.107 0.000 2.432 351 G HA2 0.091 4.051 3.960 -0.001 0.000 0.219 351 G HA3 0.091 4.051 3.960 -0.001 0.000 0.219 351 G C 1.831 176.665 174.900 -0.111 0.000 1.135 351 G CA 1.290 46.356 45.100 -0.057 0.000 0.767 351 G HN 0.602 nan 8.290 nan 0.000 0.550 352 A N 0.202 122.905 122.820 -0.196 0.000 2.169 352 A HA 0.163 4.483 4.320 -0.001 0.000 0.212 352 A C 1.631 179.080 177.584 -0.225 0.000 1.153 352 A CA 0.525 52.437 52.037 -0.207 0.000 0.756 352 A CB 0.022 18.866 19.000 -0.260 0.000 0.813 352 A HN 0.286 nan 8.150 nan 0.000 0.471 353 N N 0.563 119.090 118.700 -0.287 0.000 2.328 353 N HA 0.137 4.876 4.740 -0.001 0.000 0.247 353 N C 0.638 176.177 175.510 0.050 0.000 1.165 353 N CA 0.378 53.309 53.050 -0.199 0.000 0.873 353 N CB 0.623 38.904 38.487 -0.343 0.000 1.125 353 N HN 0.366 nan 8.380 nan 0.000 0.513 354 G N 0.335 109.163 108.800 0.046 0.000 2.614 354 G HA2 0.430 4.390 3.960 -0.001 0.000 0.239 354 G HA3 0.430 4.390 3.960 -0.001 0.000 0.239 354 G C -0.487 174.456 174.900 0.071 0.000 1.240 354 G CA -0.177 44.993 45.100 0.118 0.000 0.842 354 G HN 0.213 nan 8.290 nan 0.000 0.584 355 A N 0.422 123.311 122.820 0.115 0.000 2.375 355 A HA 0.762 5.081 4.320 -0.001 0.000 0.295 355 A C -0.009 177.707 177.584 0.221 0.000 1.066 355 A CA -0.526 51.570 52.037 0.098 0.000 0.722 355 A CB 0.519 19.675 19.000 0.260 0.000 1.206 355 A HN 1.170 nan 8.150 nan 0.000 0.435 356 F N 0.156 120.134 119.950 0.048 0.000 2.192 356 F HA -0.348 4.179 4.527 -0.001 0.000 0.317 356 F C 1.904 177.745 175.800 0.069 0.000 1.454 356 F CA 1.950 59.978 58.000 0.047 0.000 0.932 356 F CB -0.536 38.488 39.000 0.039 0.000 4.108 356 F HN 0.626 nan 8.300 nan 0.000 0.138 357 E N 0.969 121.357 120.200 0.314 0.000 2.494 357 E HA 0.295 4.645 4.350 -0.001 0.000 0.193 357 E C -0.069 176.635 176.600 0.173 0.000 1.074 357 E CA 0.577 57.112 56.400 0.225 0.000 0.867 357 E CB 0.185 30.017 29.700 0.220 0.000 0.924 357 E HN 0.365 nan 8.360 nan 0.000 0.502 358 L N 1.470 122.793 121.223 0.168 0.000 2.543 358 L HA 0.338 4.677 4.340 -0.001 0.000 0.265 358 L C -1.388 175.569 176.870 0.144 0.000 0.945 358 L CA -0.545 54.377 54.840 0.136 0.000 0.869 358 L CB 2.080 44.208 42.059 0.114 0.000 1.294 358 L HN -0.198 nan 8.230 nan 0.000 0.405 359 N N 3.613 122.400 118.700 0.145 0.000 2.422 359 N HA 0.264 5.004 4.740 -0.001 0.000 0.264 359 N C 0.012 175.633 175.510 0.185 0.000 1.063 359 N CA -0.033 53.130 53.050 0.187 0.000 0.959 359 N CB 1.698 40.293 38.487 0.180 0.000 1.087 359 N HN 0.558 nan 8.380 nan 0.000 0.483 360 V N 2.444 122.473 119.914 0.191 0.000 2.993 360 V HA 0.338 4.458 4.120 -0.001 0.000 0.377 360 V C -0.495 175.510 176.094 -0.149 0.000 1.318 360 V CA -0.247 62.059 62.300 0.010 0.000 1.312 360 V CB -1.302 30.478 31.823 -0.072 0.000 1.342 360 V HN 0.490 nan 8.190 nan 0.000 0.544 361 Y N -0.642 119.703 120.300 0.076 0.000 2.660 361 Y HA 0.513 5.062 4.550 -0.001 0.000 0.254 361 Y C 1.632 177.579 175.900 0.078 0.000 1.176 361 Y CA -0.594 57.556 58.100 0.084 0.000 1.195 361 Y CB 0.073 38.604 38.460 0.118 0.000 1.190 361 Y HN 0.261 nan 8.280 nan 0.000 0.535 362 I N 0.861 121.542 120.570 0.185 0.000 2.202 362 I HA -0.165 4.005 4.170 -0.001 0.000 0.242 362 I C -0.586 175.673 176.117 0.236 0.000 1.091 362 I CA 0.937 62.375 61.300 0.229 0.000 1.368 362 I CB -1.281 36.906 38.000 0.311 0.000 1.058 362 I HN 0.101 nan 8.210 nan 0.000 0.410 363 P HA -0.210 nan 4.420 nan 0.000 0.215 363 P C 1.888 179.158 177.300 -0.051 0.000 1.153 363 P CA 1.425 64.563 63.100 0.062 0.000 0.853 363 P CB -0.148 31.421 31.700 -0.219 0.000 0.788 364 M N -1.127 118.428 119.600 -0.075 0.000 2.086 364 M HA -0.139 4.341 4.480 -0.001 0.000 0.261 364 M C 1.960 178.279 176.300 0.031 0.000 1.067 364 M CA 2.047 57.307 55.300 -0.067 0.000 1.116 364 M CB -1.049 31.623 32.600 0.119 0.000 1.348 364 M HN -0.074 nan 8.290 nan 0.000 0.407 365 M N -0.164 119.497 119.600 0.101 0.000 2.108 365 M HA -0.178 4.302 4.480 -0.001 0.000 0.261 365 M C 2.296 178.621 176.300 0.043 0.000 1.066 365 M CA 1.950 57.302 55.300 0.086 0.000 1.107 365 M CB -0.812 31.856 32.600 0.113 0.000 1.356 365 M HN 0.419 nan 8.290 nan 0.000 0.406 366 A N 0.528 123.378 122.820 0.050 0.000 1.877 366 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 366 A C 2.195 179.775 177.584 -0.007 0.000 1.186 366 A CA 1.987 54.029 52.037 0.008 0.000 0.620 366 A CB -0.865 18.139 19.000 0.006 0.000 0.822 366 A HN 0.502 nan 8.150 nan 0.000 0.443 367 R N -0.169 120.318 120.500 -0.021 0.000 2.103 367 R HA -0.189 4.151 4.340 -0.001 0.000 0.242 367 R C 1.778 178.066 176.300 -0.020 0.000 1.142 367 R CA 1.980 58.053 56.100 -0.044 0.000 0.960 367 R CB -0.436 29.796 30.300 -0.113 0.000 0.858 367 R HN 0.611 nan 8.270 nan 0.000 0.439 368 N N 0.514 119.210 118.700 -0.008 0.000 2.171 368 N HA -0.143 4.596 4.740 -0.001 0.000 0.184 368 N C 1.948 177.451 175.510 -0.012 0.000 1.021 368 N CA 1.264 54.312 53.050 -0.003 0.000 0.854 368 N CB -0.104 38.390 38.487 0.011 0.000 0.994 368 N HN 0.298 nan 8.380 nan 0.000 0.426 369 I N 1.252 121.821 120.570 -0.001 0.000 2.353 369 I HA -0.147 4.022 4.170 -0.001 0.000 0.248 369 I C 1.945 178.120 176.117 0.097 0.000 1.119 369 I CA 0.709 62.010 61.300 0.001 0.000 1.417 369 I CB 0.134 38.151 38.000 0.028 0.000 1.078 369 I HN 0.021 nan 8.210 nan 0.000 0.421 370 L N 0.229 121.510 121.223 0.098 0.000 2.156 370 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 370 L C 2.463 179.384 176.870 0.085 0.000 1.095 370 L CA 1.357 56.273 54.840 0.125 0.000 0.770 370 L CB -0.658 41.412 42.059 0.019 0.000 0.914 370 L HN 0.329 nan 8.230 nan 0.000 0.439 371 E N 0.100 120.317 120.200 0.028 0.000 2.072 371 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 371 E C 2.217 178.816 176.600 -0.001 0.000 0.985 371 E CA 1.404 57.809 56.400 0.008 0.000 0.801 371 E CB 0.135 29.832 29.700 -0.005 0.000 0.750 371 E HN 0.331 nan 8.360 nan 0.000 0.452 372 S N 0.114 115.791 115.700 -0.038 0.000 2.359 372 S HA -0.159 4.311 4.470 -0.001 0.000 0.224 372 S C 1.548 176.077 174.600 -0.119 0.000 1.035 372 S CA 1.326 59.459 58.200 -0.111 0.000 1.018 372 S CB -0.458 62.622 63.200 -0.201 0.000 0.876 372 S HN 0.279 nan 8.310 nan 0.000 0.448 373 F N 1.887 121.814 119.950 -0.039 0.000 2.065 373 F HA -0.141 4.386 4.527 -0.001 0.000 0.298 373 F C 2.407 178.182 175.800 -0.042 0.000 1.112 373 F CA 1.551 59.529 58.000 -0.037 0.000 1.212 373 F CB -0.557 38.413 39.000 -0.050 0.000 0.975 373 F HN 0.119 nan 8.300 nan 0.000 0.476 374 K N 0.699 121.179 120.400 0.134 0.000 2.020 374 K HA -0.211 4.109 4.320 -0.001 0.000 0.212 374 K C 2.110 178.727 176.600 0.029 0.000 1.050 374 K CA 1.806 58.116 56.287 0.038 0.000 0.929 374 K CB -0.560 31.937 32.500 -0.004 0.000 0.714 374 K HN 0.265 nan 8.250 nan 0.000 0.443 375 L N 0.950 122.181 121.223 0.013 0.000 2.042 375 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 375 L C 2.569 179.441 176.870 0.004 0.000 1.076 375 L CA 1.152 55.992 54.840 -0.001 0.000 0.749 375 L CB -0.451 41.596 42.059 -0.020 0.000 0.893 375 L HN 0.266 nan 8.230 nan 0.000 0.432 376 L N -0.993 120.234 121.223 0.006 0.000 2.093 376 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 376 L C 2.635 179.539 176.870 0.057 0.000 1.085 376 L CA 1.168 56.017 54.840 0.015 0.000 0.755 376 L CB -0.680 41.374 42.059 -0.008 0.000 0.904 376 L HN 0.274 nan 8.230 nan 0.000 0.435 377 T N -0.345 114.259 114.554 0.084 0.000 2.643 377 T HA -0.146 4.203 4.350 -0.001 0.000 0.264 377 T C 1.710 176.460 174.700 0.083 0.000 1.045 377 T CA 1.551 63.714 62.100 0.105 0.000 1.155 377 T CB -0.198 68.745 68.868 0.125 0.000 0.863 377 T HN 0.287 nan 8.240 nan 0.000 0.420 378 N N 0.727 119.464 118.700 0.060 0.000 2.106 378 N HA -0.041 4.699 4.740 -0.001 0.000 0.188 378 N C 1.927 177.469 175.510 0.054 0.000 1.029 378 N CA 0.637 53.718 53.050 0.052 0.000 0.848 378 N CB -0.884 37.622 38.487 0.032 0.000 1.007 378 N HN 0.123 nan 8.380 nan 0.000 0.423 379 V N 0.741 120.678 119.914 0.038 0.000 2.626 379 V HA -0.123 3.997 4.120 -0.001 0.000 0.252 379 V C 2.017 178.165 176.094 0.089 0.000 1.067 379 V CA 1.355 63.675 62.300 0.032 0.000 1.081 379 V CB -0.387 31.421 31.823 -0.026 0.000 0.686 379 V HN 0.231 nan 8.190 nan 0.000 0.468 380 S N -0.281 115.479 115.700 0.100 0.000 2.368 380 S HA -0.142 4.328 4.470 -0.001 0.000 0.224 380 S C 1.968 176.662 174.600 0.157 0.000 1.029 380 S CA 1.467 59.760 58.200 0.155 0.000 0.988 380 S CB -0.216 63.059 63.200 0.124 0.000 0.838 380 S HN 0.610 nan 8.310 nan 0.000 0.462 381 R N 0.409 120.977 120.500 0.113 0.000 2.066 381 R HA 0.006 4.346 4.340 -0.001 0.000 0.232 381 R C 2.104 178.464 176.300 0.100 0.000 1.131 381 R CA 0.932 57.087 56.100 0.092 0.000 0.955 381 R CB -0.579 29.765 30.300 0.073 0.000 0.851 381 R HN 0.225 nan 8.270 nan 0.000 0.432 382 L N 0.118 121.408 121.223 0.111 0.000 2.012 382 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 382 L C 2.166 179.149 176.870 0.188 0.000 1.073 382 L CA 1.613 56.523 54.840 0.117 0.000 0.748 382 L CB -0.725 41.392 42.059 0.096 0.000 0.891 382 L HN 0.074 nan 8.230 nan 0.000 0.431 383 F N 0.072 120.033 119.950 0.018 0.000 2.134 383 F HA -0.191 4.336 4.527 0.000 0.000 0.299 383 F C 2.346 178.163 175.800 0.028 0.000 1.097 383 F CA 1.096 59.108 58.000 0.020 0.000 1.264 383 F CB -0.850 38.158 39.000 0.014 0.000 1.001 383 F HN 0.100 nan 8.300 nan 0.000 0.479 384 A N -0.271 122.569 122.820 0.033 0.000 1.877 384 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 384 A C 2.124 179.672 177.584 -0.059 0.000 1.186 384 A CA 1.929 53.920 52.037 -0.077 0.000 0.620 384 A CB -0.705 18.292 19.000 -0.005 0.000 0.822 384 A HN 0.577 nan 8.150 nan 0.000 0.443 385 Q N -1.431 118.368 119.800 -0.001 0.000 2.204 385 Q HA 0.097 4.437 4.340 -0.001 0.000 0.198 385 Q C 1.635 177.637 176.000 0.004 0.000 0.946 385 Q CA 0.721 56.523 55.803 -0.001 0.000 0.859 385 Q CB 0.157 28.904 28.738 0.017 0.000 0.946 385 Q HN 0.547 nan 8.270 nan 0.000 0.474 386 R N -1.255 119.263 120.500 0.031 0.000 2.432 386 R HA 0.230 4.569 4.340 -0.001 0.000 0.260 386 R C 0.904 177.236 176.300 0.053 0.000 0.935 386 R CA -0.026 56.099 56.100 0.042 0.000 1.080 386 R CB 0.652 30.985 30.300 0.057 0.000 1.155 386 R HN 0.192 nan 8.270 nan 0.000 0.531 387 C N -0.951 118.367 119.300 0.028 0.000 2.958 387 C HA 0.242 4.701 4.460 -0.001 0.000 0.402 387 C C 1.986 176.940 174.990 -0.060 0.000 1.718 387 C CA -0.205 58.832 59.018 0.031 0.000 2.267 387 C CB -0.193 27.642 27.740 0.157 0.000 2.382 387 C HN 0.197 nan 8.230 nan 0.000 0.598 388 I N 2.713 123.156 120.570 -0.212 0.000 2.163 388 I HA -0.045 4.125 4.170 -0.001 0.000 0.240 388 I C 2.922 178.957 176.117 -0.136 0.000 1.081 388 I CA 2.169 63.349 61.300 -0.199 0.000 1.353 388 I CB -1.791 36.033 38.000 -0.294 0.000 1.054 388 I HN 0.488 nan 8.210 nan 0.000 0.407 389 A N 0.781 123.527 122.820 -0.124 0.000 1.948 389 A HA -0.147 4.173 4.320 -0.001 0.000 0.220 389 A C 2.240 179.769 177.584 -0.091 0.000 1.177 389 A CA 2.052 54.021 52.037 -0.114 0.000 0.636 389 A CB -1.273 17.681 19.000 -0.078 0.000 0.815 389 A HN 0.487 nan 8.150 nan 0.000 0.449 390 G N -1.137 107.636 108.800 -0.044 0.000 3.284 390 G HA2 0.425 4.385 3.960 -0.001 0.000 0.236 390 G HA3 0.425 4.385 3.960 -0.001 0.000 0.236 390 G C 0.323 175.242 174.900 0.033 0.000 1.158 390 G CA -0.468 44.627 45.100 -0.008 0.000 0.774 390 G HN 0.368 nan 8.290 nan 0.000 0.545 391 L N 1.913 123.162 121.223 0.043 0.000 2.456 391 L HA 0.352 4.691 4.340 -0.001 0.000 0.272 391 L C 0.774 177.805 176.870 0.267 0.000 1.189 391 L CA -0.088 54.852 54.840 0.167 0.000 0.846 391 L CB 0.995 43.209 42.059 0.259 0.000 1.111 391 L HN 0.141 nan 8.230 nan 0.000 0.475 392 T N -0.176 114.536 114.554 0.263 0.000 2.863 392 T HA 0.743 5.092 4.350 -0.001 0.000 0.285 392 T C -0.407 174.364 174.700 0.118 0.000 1.009 392 T CA -0.878 61.383 62.100 0.268 0.000 0.989 392 T CB 1.945 70.893 68.868 0.134 0.000 1.004 392 T HN 0.656 nan 8.240 nan 0.000 0.455 393 A N 2.862 125.650 122.820 -0.054 0.000 2.301 393 A HA 0.580 4.900 4.320 -0.001 0.000 0.312 393 A C 0.362 177.823 177.584 -0.206 0.000 1.182 393 A CA -0.939 50.835 52.037 -0.439 0.000 0.826 393 A CB 0.146 18.445 19.000 -1.168 0.000 1.134 393 A HN 0.810 nan 8.150 nan 0.000 0.501 394 N N 2.950 121.564 118.700 -0.144 0.000 3.050 394 N HA 0.111 4.850 4.740 -0.001 0.000 0.289 394 N C 1.385 176.866 175.510 -0.049 0.000 1.209 394 N CA -0.028 52.991 53.050 -0.051 0.000 1.154 394 N CB 0.715 39.210 38.487 0.014 0.000 1.444 394 N HN 0.418 nan 8.380 nan 0.000 0.529 395 V N 1.156 121.017 119.914 -0.088 0.000 2.252 395 V HA -0.295 3.825 4.120 -0.001 0.000 0.249 395 V C 2.048 178.114 176.094 -0.046 0.000 1.056 395 V CA 1.735 63.978 62.300 -0.095 0.000 1.022 395 V CB -0.252 31.524 31.823 -0.079 0.000 0.641 395 V HN 0.537 nan 8.190 nan 0.000 0.445 396 E N -0.640 119.554 120.200 -0.009 0.000 2.038 396 E HA -0.305 4.045 4.350 -0.001 0.000 0.195 396 E C 2.206 178.823 176.600 0.029 0.000 1.000 396 E CA 1.813 58.218 56.400 0.008 0.000 0.803 396 E CB -0.329 29.384 29.700 0.021 0.000 0.750 396 E HN 0.764 nan 8.360 nan 0.000 0.448 397 H N 1.053 120.098 119.070 -0.043 0.000 2.290 397 H HA -0.106 4.450 4.556 -0.001 0.000 0.298 397 H C 2.073 177.377 175.328 -0.041 0.000 1.087 397 H CA 1.696 57.722 56.048 -0.035 0.000 1.291 397 H CB -0.380 29.363 29.762 -0.033 0.000 1.369 397 H HN 0.035 nan 8.280 nan 0.000 0.492 398 L N -0.218 120.921 121.223 -0.140 0.000 2.012 398 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 398 L C 2.867 179.638 176.870 -0.166 0.000 1.073 398 L CA 1.948 56.672 54.840 -0.194 0.000 0.748 398 L CB -0.471 41.510 42.059 -0.131 0.000 0.891 398 L HN 0.291 nan 8.230 nan 0.000 0.431 399 R N 0.300 120.732 120.500 -0.114 0.000 2.092 399 R HA -0.178 4.162 4.340 -0.001 0.000 0.231 399 R C 2.482 178.730 176.300 -0.085 0.000 1.119 399 R CA 1.327 57.375 56.100 -0.087 0.000 0.970 399 R CB -0.147 30.116 30.300 -0.060 0.000 0.864 399 R HN 0.175 nan 8.270 nan 0.000 0.440 400 R N 0.259 120.705 120.500 -0.089 0.000 2.115 400 R HA -0.054 4.285 4.340 -0.001 0.000 0.230 400 R C 2.135 178.375 176.300 -0.101 0.000 1.111 400 R CA 1.213 57.269 56.100 -0.073 0.000 0.976 400 R CB -0.147 30.129 30.300 -0.040 0.000 0.870 400 R HN 0.295 nan 8.270 nan 0.000 0.445 401 L N -0.122 120.995 121.223 -0.177 0.000 2.093 401 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 401 L C 2.572 179.379 176.870 -0.105 0.000 1.085 401 L CA 1.168 55.909 54.840 -0.165 0.000 0.755 401 L CB -0.495 41.409 42.059 -0.258 0.000 0.904 401 L HN 0.327 nan 8.230 nan 0.000 0.435 402 A N -0.106 122.653 122.820 -0.101 0.000 1.930 402 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 402 A C 1.998 179.550 177.584 -0.054 0.000 1.175 402 A CA 1.392 53.386 52.037 -0.071 0.000 0.627 402 A CB -0.348 18.611 19.000 -0.069 0.000 0.815 402 A HN 0.441 nan 8.150 nan 0.000 0.443 403 E N -0.087 120.082 120.200 -0.052 0.000 2.511 403 E HA 0.035 4.385 4.350 -0.001 0.000 0.196 403 E C 0.816 177.397 176.600 -0.032 0.000 1.066 403 E CA 0.553 56.930 56.400 -0.037 0.000 0.871 403 E CB 0.092 29.771 29.700 -0.034 0.000 0.863 403 E HN 0.494 nan 8.360 nan 0.000 0.520 404 S N -0.122 115.555 115.700 -0.037 0.000 2.578 404 S HA 0.083 4.552 4.470 -0.001 0.000 0.231 404 S C 0.257 174.842 174.600 -0.026 0.000 0.994 404 S CA -0.297 57.886 58.200 -0.029 0.000 0.956 404 S CB 0.861 64.044 63.200 -0.029 0.000 0.870 404 S HN -0.025 nan 8.310 nan 0.000 0.494 405 S N 2.570 118.252 115.700 -0.030 0.000 2.499 405 S HA 0.331 4.800 4.470 -0.001 0.000 0.279 405 S C -1.969 172.619 174.600 -0.021 0.000 1.219 405 S CA -1.768 56.416 58.200 -0.027 0.000 1.062 405 S CB 0.913 64.094 63.200 -0.032 0.000 0.978 405 S HN -0.025 nan 8.310 nan 0.000 0.489 406 P HA -0.054 nan 4.420 nan 0.000 0.222 406 P C 1.065 178.355 177.300 -0.017 0.000 1.142 406 P CA 0.869 63.961 63.100 -0.014 0.000 0.788 406 P CB 0.056 31.749 31.700 -0.013 0.000 0.767 407 S N -0.024 115.664 115.700 -0.019 0.000 2.419 407 S HA -0.108 4.362 4.470 -0.001 0.000 0.233 407 S C 1.617 176.204 174.600 -0.021 0.000 1.016 407 S CA 1.028 59.215 58.200 -0.021 0.000 0.974 407 S CB -0.964 62.224 63.200 -0.020 0.000 0.786 407 S HN 0.398 nan 8.310 nan 0.000 0.492 408 I N -0.223 120.335 120.570 -0.020 0.000 3.806 408 I HA 0.191 4.360 4.170 -0.001 0.000 0.321 408 I C 1.415 177.524 176.117 -0.013 0.000 1.315 408 I CA -0.094 61.195 61.300 -0.018 0.000 1.148 408 I CB -0.191 37.798 38.000 -0.019 0.000 1.028 408 I HN 0.108 nan 8.210 nan 0.000 0.415 409 V N -1.597 118.310 119.914 -0.012 0.000 3.129 409 V HA -0.083 4.036 4.120 -0.001 0.000 0.259 409 V C 2.465 178.557 176.094 -0.002 0.000 1.116 409 V CA 1.541 63.838 62.300 -0.004 0.000 1.127 409 V CB -1.558 30.265 31.823 -0.001 0.000 0.742 409 V HN 0.594 nan 8.190 nan 0.000 0.474 410 T N -0.902 113.643 114.554 -0.015 0.000 2.720 410 T HA -0.088 4.261 4.350 -0.001 0.000 0.268 410 T C 0.104 174.800 174.700 -0.006 0.000 1.037 410 T CA 1.802 63.888 62.100 -0.024 0.000 1.144 410 T CB -2.002 66.841 68.868 -0.043 0.000 0.864 410 T HN 0.494 nan 8.240 nan 0.000 0.444 411 P HA 0.044 nan 4.420 nan 0.000 0.216 411 P C 1.632 178.946 177.300 0.024 0.000 1.150 411 P CA 0.731 63.836 63.100 0.009 0.000 0.837 411 P CB -0.364 31.338 31.700 0.003 0.000 0.786 412 L N -0.958 120.280 121.223 0.025 0.000 2.450 412 L HA -0.192 4.148 4.340 -0.001 0.000 0.225 412 L C 1.726 178.636 176.870 0.067 0.000 1.145 412 L CA 1.071 55.933 54.840 0.036 0.000 0.801 412 L CB -0.887 41.190 42.059 0.030 0.000 0.924 412 L HN 0.078 nan 8.230 nan 0.000 0.447 413 N N -0.345 118.413 118.700 0.095 0.000 2.381 413 N HA -0.108 4.632 4.740 -0.001 0.000 0.182 413 N C 1.926 177.551 175.510 0.192 0.000 1.025 413 N CA 1.420 54.594 53.050 0.207 0.000 0.888 413 N CB -0.037 38.587 38.487 0.227 0.000 0.965 413 N HN 0.350 nan 8.380 nan 0.000 0.438 414 S N -0.218 115.548 115.700 0.111 0.000 2.446 414 S HA 0.172 4.642 4.470 -0.001 0.000 0.225 414 S C 1.908 176.531 174.600 0.038 0.000 1.016 414 S CA 0.529 58.772 58.200 0.071 0.000 0.943 414 S CB 0.146 63.377 63.200 0.052 0.000 0.786 414 S HN 0.375 nan 8.310 nan 0.000 0.508 415 A N 1.448 124.290 122.820 0.037 0.000 2.044 415 A HA 0.539 4.859 4.320 -0.001 0.000 0.213 415 A C 0.998 178.591 177.584 0.014 0.000 1.169 415 A CA 0.183 52.232 52.037 0.020 0.000 0.724 415 A CB -0.283 18.728 19.000 0.018 0.000 0.840 415 A HN 0.668 nan 8.150 nan 0.000 0.463 416 I N -5.757 114.827 120.570 0.025 0.000 3.467 416 I HA 0.773 4.943 4.170 -0.001 0.000 0.314 416 I C 0.282 176.406 176.117 0.012 0.000 1.177 416 I CA -1.163 60.144 61.300 0.012 0.000 0.943 416 I CB 1.220 39.232 38.000 0.019 0.000 1.338 416 I HN -0.006 nan 8.210 nan 0.000 0.482 417 G N -0.093 108.701 108.800 -0.011 0.000 2.507 417 G HA2 0.307 4.267 3.960 -0.001 0.000 0.271 417 G HA3 0.307 4.267 3.960 -0.001 0.000 0.271 417 G C 0.000 174.954 174.900 0.089 0.000 1.189 417 G CA -0.435 44.630 45.100 -0.058 0.000 0.859 417 G HN 0.794 nan 8.290 nan 0.000 0.542 418 Y N -0.254 120.044 120.300 -0.004 0.000 2.165 418 Y HA -0.197 4.352 4.550 -0.001 0.000 0.286 418 Y C 2.740 178.637 175.900 -0.005 0.000 1.155 418 Y CA 1.182 59.279 58.100 -0.005 0.000 1.164 418 Y CB 0.156 38.613 38.460 -0.005 0.000 0.978 418 Y HN 0.586 nan 8.280 nan 0.000 0.513 419 E N 1.026 121.307 120.200 0.135 0.000 2.112 419 E HA -0.139 4.210 4.350 -0.001 0.000 0.190 419 E C 1.588 178.216 176.600 0.046 0.000 0.979 419 E CA 1.209 57.651 56.400 0.071 0.000 0.814 419 E CB -0.114 29.609 29.700 0.038 0.000 0.762 419 E HN 0.480 nan 8.360 nan 0.000 0.460 420 E N 0.126 120.348 120.200 0.037 0.000 2.110 420 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 420 E C 1.960 178.581 176.600 0.035 0.000 0.988 420 E CA 1.171 57.586 56.400 0.025 0.000 0.804 420 E CB -0.187 29.520 29.700 0.012 0.000 0.745 420 E HN 0.365 nan 8.360 nan 0.000 0.458 421 A N 1.622 124.477 122.820 0.058 0.000 1.840 421 A HA 0.024 4.344 4.320 -0.001 0.000 0.214 421 A C 2.471 180.076 177.584 0.035 0.000 1.198 421 A CA 1.335 53.402 52.037 0.051 0.000 0.608 421 A CB -0.895 18.149 19.000 0.073 0.000 0.839 421 A HN 0.271 nan 8.150 nan 0.000 0.443 422 A N -0.107 122.738 122.820 0.041 0.000 2.042 422 A HA -0.003 4.317 4.320 -0.001 0.000 0.222 422 A C 2.389 179.984 177.584 0.018 0.000 1.167 422 A CA 2.442 54.493 52.037 0.025 0.000 0.649 422 A CB -0.928 18.090 19.000 0.029 0.000 0.809 422 A HN 1.129 nan 8.150 nan 0.000 0.457 423 A N -0.917 121.915 122.820 0.020 0.000 1.929 423 A HA 0.095 4.415 4.320 -0.001 0.000 0.216 423 A C 2.203 179.793 177.584 0.010 0.000 1.176 423 A CA 1.463 53.508 52.037 0.013 0.000 0.628 423 A CB -0.802 18.206 19.000 0.013 0.000 0.816 423 A HN 0.376 nan 8.150 nan 0.000 0.444 424 V N 0.043 119.964 119.914 0.012 0.000 2.287 424 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 424 V C 3.079 179.176 176.094 0.005 0.000 1.053 424 V CA 2.137 64.442 62.300 0.008 0.000 1.027 424 V CB -1.175 30.654 31.823 0.010 0.000 0.646 424 V HN 0.614 nan 8.190 nan 0.000 0.447 425 A N -0.788 122.035 122.820 0.005 0.000 1.933 425 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 425 A C 2.344 179.928 177.584 -0.000 0.000 1.175 425 A CA 1.935 53.972 52.037 0.000 0.000 0.628 425 A CB -0.471 18.528 19.000 -0.002 0.000 0.814 425 A HN 0.382 nan 8.150 nan 0.000 0.444 426 K N -0.313 120.089 120.400 0.002 0.000 2.155 426 K HA -0.128 4.191 4.320 -0.001 0.000 0.203 426 K C 2.109 178.710 176.600 0.002 0.000 1.052 426 K CA 1.763 58.051 56.287 0.002 0.000 0.948 426 K CB -0.151 32.351 32.500 0.004 0.000 0.728 426 K HN 0.736 nan 8.250 nan 0.000 0.448 427 Q N -0.573 119.228 119.800 0.002 0.000 2.165 427 Q HA 0.025 4.365 4.340 -0.001 0.000 0.197 427 Q C 1.892 177.892 176.000 0.001 0.000 0.952 427 Q CA 0.841 56.645 55.803 0.002 0.000 0.848 427 Q CB -0.029 28.711 28.738 0.003 0.000 0.931 427 Q HN 0.228 nan 8.270 nan 0.000 0.470 428 A N 1.505 124.325 122.820 0.000 0.000 1.903 428 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 428 A C 2.044 179.627 177.584 -0.001 0.000 1.191 428 A CA 1.650 53.686 52.037 -0.001 0.000 0.638 428 A CB -0.910 18.088 19.000 -0.003 0.000 0.823 428 A HN 0.465 nan 8.150 nan 0.000 0.451 429 L N -1.273 119.949 121.223 -0.001 0.000 2.005 429 L HA -0.172 4.168 4.340 -0.001 0.000 0.207 429 L C 2.716 179.587 176.870 0.002 0.000 1.072 429 L CA 1.488 56.328 54.840 -0.001 0.000 0.744 429 L CB -0.552 41.506 42.059 -0.002 0.000 0.895 429 L HN 0.278 nan 8.230 nan 0.000 0.433 430 K N 0.422 120.823 120.400 0.002 0.000 2.001 430 K HA -0.260 4.059 4.320 -0.001 0.000 0.214 430 K C 1.923 178.525 176.600 0.003 0.000 1.050 430 K CA 1.842 58.131 56.287 0.003 0.000 0.934 430 K CB -0.223 32.278 32.500 0.002 0.000 0.718 430 K HN 0.305 nan 8.250 nan 0.000 0.443 431 E N 0.245 120.447 120.200 0.003 0.000 2.489 431 E HA -0.015 4.335 4.350 -0.001 0.000 0.193 431 E C -0.579 176.024 176.600 0.004 0.000 1.057 431 E CA -0.073 56.329 56.400 0.003 0.000 0.866 431 E CB 0.191 29.892 29.700 0.003 0.000 0.916 431 E HN 0.139 nan 8.360 nan 0.000 0.500 432 R N 0.733 121.236 120.500 0.004 0.000 3.267 432 R HA -0.172 4.168 4.340 -0.001 0.000 0.254 432 R C -0.897 175.405 176.300 0.004 0.000 0.993 432 R CA 0.814 56.916 56.100 0.005 0.000 0.670 432 R CB -1.483 28.822 30.300 0.008 0.000 1.125 432 R HN 0.117 nan 8.270 nan 0.000 0.434 433 K N -0.690 119.711 120.400 0.001 0.000 2.331 433 K HA 0.454 4.774 4.320 -0.001 0.000 0.238 433 K C 0.529 177.126 176.600 -0.005 0.000 1.058 433 K CA -0.616 55.671 56.287 -0.001 0.000 0.871 433 K CB 0.878 33.378 32.500 0.000 0.000 1.292 433 K HN 0.141 nan 8.250 nan 0.000 0.470 434 T N -1.800 112.750 114.554 -0.006 0.000 2.766 434 T HA 0.119 4.469 4.350 -0.001 0.000 0.295 434 T C 1.413 176.109 174.700 -0.008 0.000 1.024 434 T CA -0.593 61.501 62.100 -0.010 0.000 1.018 434 T CB 0.267 69.128 68.868 -0.011 0.000 1.002 434 T HN 0.341 nan 8.240 nan 0.000 0.532 435 I N 0.528 121.093 120.570 -0.009 0.000 2.252 435 I HA -0.045 4.125 4.170 -0.001 0.000 0.245 435 I C 2.737 178.851 176.117 -0.004 0.000 1.102 435 I CA 1.357 62.653 61.300 -0.006 0.000 1.385 435 I CB -1.309 36.686 38.000 -0.007 0.000 1.064 435 I HN 0.838 nan 8.210 nan 0.000 0.414 436 R N 1.086 121.583 120.500 -0.006 0.000 2.082 436 R HA -0.266 4.074 4.340 -0.001 0.000 0.234 436 R C 2.291 178.589 176.300 -0.003 0.000 1.136 436 R CA 2.018 58.115 56.100 -0.004 0.000 0.935 436 R CB -0.407 29.890 30.300 -0.005 0.000 0.842 436 R HN 0.147 nan 8.270 nan 0.000 0.430 437 Q N 0.021 119.819 119.800 -0.003 0.000 2.376 437 Q HA -0.111 4.229 4.340 -0.001 0.000 0.211 437 Q C 1.319 177.319 176.000 -0.001 0.000 0.986 437 Q CA 2.277 58.079 55.803 -0.002 0.000 0.886 437 Q CB -0.146 28.591 28.738 -0.002 0.000 0.927 437 Q HN 0.464 nan 8.270 nan 0.000 0.457 438 T N -1.544 113.010 114.554 -0.001 0.000 2.983 438 T HA 0.055 4.404 4.350 -0.001 0.000 0.250 438 T C 1.603 176.304 174.700 0.001 0.000 1.037 438 T CA 0.713 62.813 62.100 0.000 0.000 1.142 438 T CB -0.085 68.783 68.868 0.000 0.000 0.876 438 T HN 0.048 nan 8.240 nan 0.000 0.455 439 V N 1.811 121.726 119.914 0.001 0.000 2.688 439 V HA -0.098 4.021 4.120 -0.001 0.000 0.256 439 V C 2.152 178.247 176.094 0.002 0.000 1.084 439 V CA 1.325 63.627 62.300 0.002 0.000 1.103 439 V CB -0.649 31.176 31.823 0.003 0.000 0.688 439 V HN 0.495 nan 8.190 nan 0.000 0.480 440 I N -0.360 120.210 120.570 0.001 0.000 2.716 440 I HA -0.091 4.078 4.170 -0.001 0.000 0.259 440 I C 1.712 177.829 176.117 0.001 0.000 1.172 440 I CA 0.991 62.291 61.300 0.001 0.000 1.478 440 I CB -0.122 37.878 38.000 0.000 0.000 1.104 440 I HN 0.285 nan 8.210 nan 0.000 0.439 441 D N 0.578 120.978 120.400 0.001 0.000 2.346 441 D HA 0.018 4.657 4.640 -0.001 0.000 0.206 441 D C 1.538 177.839 176.300 0.001 0.000 1.001 441 D CA 0.494 54.495 54.000 0.001 0.000 0.871 441 D CB 0.160 40.960 40.800 0.001 0.000 0.943 441 D HN 0.327 nan 8.370 nan 0.000 0.518 442 R N -0.331 120.170 120.500 0.001 0.000 2.388 442 R HA 0.377 4.717 4.340 -0.001 0.000 0.247 442 R C 1.021 177.321 176.300 0.001 0.000 0.931 442 R CA 0.420 56.521 56.100 0.001 0.000 1.082 442 R CB 0.339 30.640 30.300 0.002 0.000 1.135 442 R HN -0.010 nan 8.270 nan 0.000 0.525 443 G N 1.312 110.113 108.800 0.001 0.000 2.159 443 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.256 443 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.256 443 G C 0.654 175.554 174.900 -0.000 0.000 0.977 443 G CA 0.092 45.192 45.100 -0.000 0.000 0.652 443 G HN 0.190 nan 8.290 nan 0.000 0.531 444 L N 0.524 121.747 121.223 0.001 0.000 2.046 444 L HA 0.225 4.565 4.340 -0.001 0.000 0.208 444 L C 2.114 178.984 176.870 0.000 0.000 1.077 444 L CA 1.175 56.016 54.840 0.001 0.000 0.747 444 L CB -0.515 41.545 42.059 0.002 0.000 0.896 444 L HN 0.475 nan 8.230 nan 0.000 0.432 445 I N -0.068 120.502 120.570 0.000 0.000 2.692 445 I HA 0.322 4.492 4.170 -0.001 0.000 0.284 445 I C 1.176 177.293 176.117 -0.000 0.000 1.159 445 I CA 0.493 61.794 61.300 0.001 0.000 1.423 445 I CB -0.466 37.535 38.000 0.001 0.000 1.380 445 I HN 0.364 nan 8.210 nan 0.000 0.580 446 G N 4.344 113.144 108.800 -0.000 0.000 2.760 446 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.246 446 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.246 446 G C -0.535 174.364 174.900 -0.001 0.000 1.359 446 G CA -0.459 44.641 45.100 -0.001 0.000 0.861 446 G HN 0.818 nan 8.290 nan 0.000 0.541 450 S N 1.646 117.346 115.700 0.001 0.000 2.559 450 S HA 0.170 4.639 4.470 -0.001 0.000 0.282 450 S C 1.839 176.439 174.600 0.001 0.000 1.336 450 S CA 0.117 58.317 58.200 0.001 0.000 1.037 450 S CB 0.646 63.846 63.200 0.001 0.000 0.853 450 S HN 0.577 nan 8.310 nan 0.000 0.523 451 I N 1.733 122.303 120.570 0.000 0.000 2.236 451 I HA -0.233 3.936 4.170 -0.001 0.000 0.249 451 I C 2.113 178.230 176.117 -0.000 0.000 1.102 451 I CA 1.355 62.656 61.300 0.000 0.000 1.365 451 I CB -0.258 37.742 38.000 -0.000 0.000 1.051 451 I HN 0.649 nan 8.210 nan 0.000 0.420 452 E N -0.171 120.029 120.200 0.000 0.000 2.338 452 E HA -0.226 4.124 4.350 -0.001 0.000 0.197 452 E C 0.978 177.578 176.600 0.000 0.000 1.007 452 E CA 1.126 57.526 56.400 0.000 0.000 0.849 452 E CB -0.254 29.446 29.700 0.000 0.000 0.774 452 E HN 0.549 nan 8.360 nan 0.000 0.506 453 D N -0.715 119.685 120.400 0.001 0.000 2.398 453 D HA 0.025 4.665 4.640 -0.001 0.000 0.210 453 D C 1.374 177.675 176.300 0.002 0.000 1.094 453 D CA -0.104 53.896 54.000 0.001 0.000 0.839 453 D CB 0.330 41.131 40.800 0.002 0.000 0.963 453 D HN -0.047 nan 8.370 nan 0.000 0.506 454 L N 0.333 121.557 121.223 0.001 0.000 2.131 454 L HA 0.042 4.381 4.340 -0.001 0.000 0.206 454 L C 1.142 178.011 176.870 -0.001 0.000 1.087 454 L CA 1.654 56.494 54.840 0.001 0.000 0.767 454 L CB -0.263 41.796 42.059 0.001 0.000 0.917 454 L HN -0.087 nan 8.230 nan 0.000 0.441 455 D N -0.539 119.860 120.400 -0.002 0.000 2.144 455 D HA -0.208 4.432 4.640 -0.001 0.000 0.199 455 D C 2.253 178.550 176.300 -0.004 0.000 0.984 455 D CA 1.092 55.090 54.000 -0.004 0.000 0.834 455 D CB -0.144 40.654 40.800 -0.003 0.000 0.955 455 D HN 0.274 nan 8.370 nan 0.000 0.465 456 R N 0.436 120.935 120.500 -0.002 0.000 2.096 456 R HA 0.001 4.341 4.340 -0.001 0.000 0.235 456 R C 1.875 178.173 176.300 -0.003 0.000 1.127 456 R CA 1.046 57.144 56.100 -0.003 0.000 0.968 456 R CB 0.159 30.459 30.300 -0.000 0.000 0.861 456 R HN 0.090 nan 8.270 nan 0.000 0.440 457 R N -0.679 119.820 120.500 -0.002 0.000 2.276 457 R HA 0.058 4.398 4.340 -0.001 0.000 0.196 457 R C 0.421 176.719 176.300 -0.005 0.000 0.961 457 R CA 0.145 56.244 56.100 -0.002 0.000 1.024 457 R CB 0.374 30.676 30.300 0.003 0.000 0.940 457 R HN 0.084 nan 8.270 nan 0.000 0.480 458 L N 0.908 122.128 121.223 -0.006 0.000 3.017 458 L HA 0.147 4.486 4.340 -0.001 0.000 0.255 458 L C -0.237 176.625 176.870 -0.014 0.000 1.247 458 L CA 0.043 54.877 54.840 -0.010 0.000 1.038 458 L CB 0.393 42.447 42.059 -0.008 0.000 1.380 458 L HN -0.076 nan 8.230 nan 0.000 0.548 459 D N 0.064 120.456 120.400 -0.013 0.000 2.402 459 D HA 0.030 4.670 4.640 -0.001 0.000 0.235 459 D C 1.579 177.866 176.300 -0.022 0.000 1.226 459 D CA 0.089 54.080 54.000 -0.017 0.000 0.918 459 D CB 1.120 41.912 40.800 -0.014 0.000 1.043 459 D HN 0.144 nan 8.370 nan 0.000 0.506 460 V N 2.841 122.739 119.914 -0.027 0.000 2.490 460 V HA -0.187 3.933 4.120 -0.001 0.000 0.250 460 V C 2.205 178.276 176.094 -0.038 0.000 1.061 460 V CA 0.799 63.080 62.300 -0.033 0.000 1.064 460 V CB -0.782 31.019 31.823 -0.038 0.000 0.670 460 V HN 0.427 nan 8.190 nan 0.000 0.461 461 L N 1.447 122.646 121.223 -0.040 0.000 2.141 461 L HA 0.167 4.507 4.340 -0.001 0.000 0.209 461 L C 2.542 179.383 176.870 -0.047 0.000 1.094 461 L CA 2.072 56.881 54.840 -0.051 0.000 0.763 461 L CB -1.011 41.017 42.059 -0.052 0.000 0.908 461 L HN 0.323 nan 8.230 nan 0.000 0.437 462 A N -1.035 121.766 122.820 -0.033 0.000 1.970 462 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 462 A C 2.227 179.796 177.584 -0.024 0.000 1.170 462 A CA 1.520 53.542 52.037 -0.025 0.000 0.645 462 A CB -0.454 18.536 19.000 -0.016 0.000 0.816 462 A HN 0.479 nan 8.150 nan 0.000 0.447 463 M N -0.371 119.214 119.600 -0.025 0.000 2.213 463 M HA -0.132 4.348 4.480 -0.001 0.000 0.263 463 M C 2.241 178.525 176.300 -0.026 0.000 1.062 463 M CA 1.289 56.575 55.300 -0.023 0.000 1.105 463 M CB -0.308 32.278 32.600 -0.023 0.000 1.385 463 M HN 0.456 nan 8.290 nan 0.000 0.417 464 A N -0.062 122.737 122.820 -0.035 0.000 2.209 464 A HA -0.054 4.266 4.320 -0.001 0.000 0.212 464 A C 0.943 178.506 177.584 -0.035 0.000 1.158 464 A CA 0.468 52.482 52.037 -0.039 0.000 0.742 464 A CB -0.485 18.482 19.000 -0.055 0.000 0.790 464 A HN 0.504 nan 8.150 nan 0.000 0.472 465 K N -1.100 119.282 120.400 -0.030 0.000 3.177 465 K HA -0.222 4.098 4.320 -0.001 0.000 0.266 465 K C 0.541 177.131 176.600 -0.017 0.000 0.937 465 K CA 0.074 56.350 56.287 -0.018 0.000 0.702 465 K CB -2.012 30.483 32.500 -0.009 0.000 1.365 465 K HN 0.739 nan 8.250 nan 0.000 0.466 466 A N 0.000 122.792 122.820 -0.046 0.000 2.254 466 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 466 A CA 0.000 52.000 52.037 -0.061 0.000 0.836 466 A CB 0.000 18.842 19.000 -0.264 0.000 0.831 466 A HN 0.000 nan 8.150 nan 0.000 0.486