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 1sl0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPXVGXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXDTREY VAXAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFXX XXXXXKIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVEXXXXX XXXXXXKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.268 55.300 -0.053 0.000 0.988 1 M CB 0.000 32.549 32.600 -0.084 0.000 1.302 2 I N -0.117 120.417 120.570 -0.060 0.000 3.004 2 I HA 0.764 4.934 4.170 0.002 0.000 0.305 2 I C -1.662 174.359 176.117 -0.160 0.000 1.312 2 I CA -1.024 60.175 61.300 -0.168 0.000 0.992 2 I CB 2.487 40.362 38.000 -0.207 0.000 1.282 2 I HN 0.388 nan 8.210 nan 0.000 0.449 3 V N 2.672 122.460 119.914 -0.210 0.000 2.327 3 V HA 0.375 4.496 4.120 0.002 0.000 0.272 3 V C 0.050 176.032 176.094 -0.187 0.000 1.019 3 V CA -0.122 62.081 62.300 -0.162 0.000 0.814 3 V CB 0.751 32.548 31.823 -0.043 0.000 1.040 3 V HN 0.848 nan 8.190 nan 0.000 0.440 4 S N 2.915 118.406 115.700 -0.349 0.000 2.745 4 S HA 0.792 5.263 4.470 0.002 0.000 0.292 4 S C -1.039 173.533 174.600 -0.046 0.000 1.133 4 S CA -0.341 57.742 58.200 -0.195 0.000 0.998 4 S CB 1.947 65.059 63.200 -0.146 0.000 1.087 4 S HN 0.921 nan 8.310 nan 0.000 0.551 5 D N -0.543 120.051 120.400 0.323 0.000 2.663 5 D HA 0.518 5.159 4.640 0.002 0.000 0.233 5 D C -1.209 175.303 176.300 0.354 0.000 1.240 5 D CA -0.599 53.684 54.000 0.472 0.000 0.774 5 D CB 1.052 42.032 40.800 0.299 0.000 1.443 5 D HN 0.643 nan 8.370 nan 0.000 0.441 6 I N -1.167 119.561 120.570 0.262 0.000 2.865 6 I HA 0.709 4.880 4.170 0.002 0.000 0.302 6 I C -1.290 174.812 176.117 -0.025 0.000 1.140 6 I CA -0.699 60.603 61.300 0.004 0.000 1.021 6 I CB 2.424 40.398 38.000 -0.044 0.000 1.233 6 I HN 0.111 nan 8.210 nan 0.000 0.427 7 E N 4.151 124.250 120.200 -0.169 0.000 2.155 7 E HA 0.661 5.012 4.350 0.002 0.000 0.264 7 E C -0.642 175.888 176.600 -0.116 0.000 0.886 7 E CA -0.575 55.806 56.400 -0.033 0.000 0.752 7 E CB 2.065 31.822 29.700 0.095 0.000 1.133 7 E HN 0.837 nan 8.360 nan 0.000 0.414 8 A N 2.898 125.668 122.820 -0.083 0.000 2.352 8 A HA 0.368 4.689 4.320 0.002 0.000 0.299 8 A C 0.877 178.417 177.584 -0.073 0.000 1.160 8 A CA -0.612 51.308 52.037 -0.195 0.000 0.933 8 A CB 0.524 19.425 19.000 -0.165 0.000 1.387 8 A HN 0.621 nan 8.150 nan 0.000 0.487 9 N N -0.381 118.174 118.700 -0.241 0.000 2.353 9 N HA 0.345 5.086 4.740 0.002 0.000 0.185 9 N C 0.057 175.575 175.510 0.013 0.000 1.098 9 N CA 0.967 54.019 53.050 0.004 0.000 0.872 9 N CB 0.339 38.770 38.487 -0.093 0.000 0.970 9 N HN 1.008 nan 8.380 nan 0.000 0.467 10 A N -0.057 122.704 122.820 -0.098 0.000 2.515 10 A HA 0.473 4.794 4.320 0.002 0.000 0.292 10 A C -0.952 176.572 177.584 -0.100 0.000 1.065 10 A CA -0.825 51.144 52.037 -0.112 0.000 0.641 10 A CB 0.114 19.084 19.000 -0.049 0.000 1.306 10 A HN 0.070 nan 8.150 nan 0.000 0.441 11 L N 0.825 121.977 121.223 -0.118 0.000 2.479 11 L HA 0.046 4.387 4.340 0.002 0.000 0.270 11 L C 1.892 178.789 176.870 0.044 0.000 1.236 11 L CA -0.317 54.469 54.840 -0.089 0.000 0.823 11 L CB 0.109 42.093 42.059 -0.124 0.000 1.098 11 L HN 0.902 nan 8.230 nan 0.000 0.500 12 L N 1.608 122.925 121.223 0.156 0.000 1.997 12 L HA -0.256 4.085 4.340 0.002 0.000 0.216 12 L C 2.207 179.065 176.870 -0.021 0.000 1.074 12 L CA 1.963 56.858 54.840 0.091 0.000 0.763 12 L CB -0.592 41.519 42.059 0.086 0.000 0.890 12 L HN 0.631 nan 8.230 nan 0.000 0.434 13 E N -0.695 119.482 120.200 -0.039 0.000 2.448 13 E HA -0.120 4.231 4.350 0.002 0.000 0.203 13 E C 1.271 177.842 176.600 -0.048 0.000 1.046 13 E CA 1.146 57.509 56.400 -0.061 0.000 0.871 13 E CB -0.222 29.444 29.700 -0.057 0.000 0.790 13 E HN 0.582 nan 8.360 nan 0.000 0.545 14 S N -1.220 114.455 115.700 -0.043 0.000 2.904 14 S HA 0.116 4.587 4.470 0.002 0.000 0.260 14 S C 0.112 174.683 174.600 -0.049 0.000 1.000 14 S CA -0.502 57.673 58.200 -0.042 0.000 1.274 14 S CB 0.617 63.795 63.200 -0.037 0.000 1.196 14 S HN 0.140 nan 8.310 nan 0.000 0.678 15 V N 3.799 123.681 119.914 -0.052 0.000 2.740 15 V HA 0.466 4.587 4.120 0.002 0.000 0.303 15 V C 0.997 177.038 176.094 -0.089 0.000 1.054 15 V CA 1.633 63.889 62.300 -0.074 0.000 1.106 15 V CB 1.451 33.228 31.823 -0.077 0.000 0.957 15 V HN 0.627 nan 8.190 nan 0.000 0.486 16 T N 1.120 115.609 114.554 -0.108 0.000 3.328 16 T HA 0.408 4.759 4.350 0.002 0.000 0.297 16 T C -0.016 174.607 174.700 -0.128 0.000 0.882 16 T CA 0.497 62.538 62.100 -0.098 0.000 0.906 16 T CB -0.339 68.487 68.868 -0.070 0.000 1.210 16 T HN 1.285 nan 8.240 nan 0.000 0.631 17 K N 0.978 121.255 120.400 -0.204 0.000 2.581 17 K HA 0.652 4.973 4.320 0.002 0.000 0.249 17 K C -1.175 175.161 176.600 -0.440 0.000 0.966 17 K CA -0.838 55.284 56.287 -0.275 0.000 0.811 17 K CB 0.706 33.051 32.500 -0.258 0.000 1.223 17 K HN 0.359 nan 8.250 nan 0.000 0.438 18 F N 3.050 122.631 119.950 -0.614 0.000 2.484 18 F HA 0.348 4.876 4.527 0.001 0.000 0.360 18 F C 0.999 176.508 175.800 -0.484 0.000 1.101 18 F CA 0.189 57.747 58.000 -0.738 0.000 1.251 18 F CB 0.987 39.113 39.000 -1.456 0.000 1.132 18 F HN 0.771 nan 8.300 nan 0.000 0.570 19 H N 4.480 123.034 119.070 -0.861 0.000 2.545 19 H HA 0.237 4.794 4.556 0.001 0.000 0.283 19 H C 0.139 175.012 175.328 -0.758 0.000 0.997 19 H CA 1.056 56.812 56.048 -0.488 0.000 1.269 19 H CB 0.282 29.996 29.762 -0.080 0.000 1.451 19 H HN 0.677 nan 8.280 nan 0.000 0.508 20 C N -2.055 116.565 119.300 -1.132 0.000 3.045 20 C HA 0.678 5.139 4.460 0.002 0.000 0.338 20 C C -0.095 174.520 174.990 -0.624 0.000 1.267 20 C CA -0.711 57.910 59.018 -0.661 0.000 1.177 20 C CB 1.003 28.677 27.740 -0.110 0.000 1.380 20 C HN 0.496 nan 8.230 nan 0.000 0.469 21 G N 0.691 109.454 108.800 -0.062 0.000 2.741 21 G HA2 0.671 4.632 3.960 0.002 0.000 0.293 21 G HA3 0.671 4.632 3.960 0.002 0.000 0.293 21 G C -1.254 173.845 174.900 0.330 0.000 1.457 21 G CA -0.413 44.652 45.100 -0.058 0.000 1.098 21 G HN 1.259 nan 8.290 nan 0.000 0.536 22 V N 2.511 122.607 119.914 0.304 0.000 2.966 22 V HA 0.701 4.822 4.120 0.002 0.000 0.317 22 V C 0.133 176.431 176.094 0.339 0.000 1.070 22 V CA -0.616 61.882 62.300 0.331 0.000 1.008 22 V CB 1.725 33.695 31.823 0.245 0.000 1.070 22 V HN 0.664 nan 8.190 nan 0.000 0.457 23 I N 1.678 122.392 120.570 0.240 0.000 2.775 23 I HA 0.298 4.468 4.170 0.002 0.000 0.295 23 I C -1.960 174.077 176.117 -0.134 0.000 1.287 23 I CA -0.635 60.712 61.300 0.079 0.000 1.029 23 I CB 2.592 40.674 38.000 0.136 0.000 1.282 23 I HN 0.671 nan 8.210 nan 0.000 0.426 24 Y N 5.018 125.044 120.300 -0.456 0.000 2.646 24 Y HA 0.412 4.963 4.550 0.001 0.000 0.334 24 Y C -0.632 174.965 175.900 -0.504 0.000 1.004 24 Y CA -1.142 56.500 58.100 -0.764 0.000 1.301 24 Y CB 0.576 38.288 38.460 -1.247 0.000 1.093 24 Y HN 0.480 nan 8.280 nan 0.000 0.530 25 D N 3.300 123.234 120.400 -0.777 0.000 2.390 25 D HA -0.014 4.627 4.640 0.002 0.000 0.249 25 D C 0.438 176.152 176.300 -0.976 0.000 1.144 25 D CA 0.465 54.077 54.000 -0.648 0.000 0.880 25 D CB 0.703 41.320 40.800 -0.305 0.000 1.182 25 D HN 0.635 nan 8.370 nan 0.000 0.451 26 Y N 1.374 121.266 120.300 -0.680 0.000 2.373 26 Y HA -0.139 4.412 4.550 0.002 0.000 0.293 26 Y C 2.528 178.279 175.900 -0.249 0.000 1.129 26 Y CA 1.409 59.206 58.100 -0.504 0.000 1.226 26 Y CB -0.029 38.271 38.460 -0.267 0.000 1.000 26 Y HN 0.467 nan 8.280 nan 0.000 0.549 27 S N -2.881 112.782 115.700 -0.061 0.000 2.603 27 S HA -0.022 4.449 4.470 0.002 0.000 0.220 27 S C 1.427 176.007 174.600 -0.033 0.000 0.967 27 S CA 1.106 59.290 58.200 -0.026 0.000 0.920 27 S CB -0.231 62.950 63.200 -0.032 0.000 0.773 27 S HN 0.278 nan 8.310 nan 0.000 0.529 28 T N 0.604 115.110 114.554 -0.079 0.000 2.955 28 T HA 0.597 4.948 4.350 0.002 0.000 0.251 28 T C 0.879 175.599 174.700 0.033 0.000 1.002 28 T CA 0.317 62.398 62.100 -0.031 0.000 0.970 28 T CB 0.212 69.050 68.868 -0.049 0.000 1.091 28 T HN 0.873 nan 8.240 nan 0.000 0.495 29 A N 1.620 124.461 122.820 0.035 0.000 2.872 29 A HA -0.181 4.140 4.320 0.002 0.000 0.273 29 A C 0.174 178.019 177.584 0.435 0.000 1.442 29 A CA 1.161 53.414 52.037 0.360 0.000 0.801 29 A CB -1.983 17.169 19.000 0.253 0.000 1.031 29 A HN 0.584 nan 8.150 nan 0.000 0.582 30 E N -2.063 118.318 120.200 0.301 0.000 2.320 30 E HA 0.654 5.005 4.350 0.002 0.000 0.264 30 E C -1.283 175.529 176.600 0.352 0.000 0.923 30 E CA -0.833 55.764 56.400 0.330 0.000 0.796 30 E CB 1.105 30.897 29.700 0.153 0.000 1.262 30 E HN 0.341 nan 8.360 nan 0.000 0.428 31 Y N 0.470 120.856 120.300 0.142 0.000 2.842 31 Y HA 0.229 4.780 4.550 0.001 0.000 0.334 31 Y C -0.507 175.439 175.900 0.077 0.000 1.019 31 Y CA -0.719 57.457 58.100 0.128 0.000 1.258 31 Y CB 0.946 39.453 38.460 0.078 0.000 1.106 31 Y HN 0.152 nan 8.280 nan 0.000 0.545 32 V N 2.811 122.811 119.914 0.143 0.000 2.397 32 V HA 0.142 4.263 4.120 0.002 0.000 0.262 32 V C 0.401 176.494 176.094 -0.002 0.000 1.047 32 V CA -0.191 62.125 62.300 0.028 0.000 1.003 32 V CB 0.203 32.023 31.823 -0.006 0.000 1.037 32 V HN 0.654 nan 8.190 nan 0.000 0.480 33 S N 5.032 120.710 115.700 -0.036 0.000 2.489 33 S HA 0.549 5.020 4.470 0.002 0.000 0.277 33 S C -0.625 173.890 174.600 -0.142 0.000 1.230 33 S CA -0.249 57.969 58.200 0.030 0.000 1.053 33 S CB 0.267 63.518 63.200 0.086 0.000 0.955 33 S HN 0.538 nan 8.310 nan 0.000 0.488 34 Y N 1.981 122.393 120.300 0.186 0.000 2.341 34 Y HA 0.469 5.020 4.550 0.001 0.000 0.337 34 Y C 1.003 176.980 175.900 0.130 0.000 1.014 34 Y CA -0.656 57.560 58.100 0.194 0.000 1.111 34 Y CB 1.003 39.656 38.460 0.322 0.000 1.194 34 Y HN 0.462 nan 8.280 nan 0.000 0.462 35 R N 3.113 123.709 120.500 0.160 0.000 2.797 35 R HA 0.311 4.652 4.340 0.002 0.000 0.251 35 R C -1.790 174.502 176.300 -0.013 0.000 1.107 35 R CA -2.022 54.024 56.100 -0.091 0.000 1.084 35 R CB 0.591 30.811 30.300 -0.133 0.000 1.205 35 R HN 0.333 nan 8.270 nan 0.000 0.515 36 P HA -0.290 nan 4.420 nan 0.000 0.219 36 P C 1.012 178.373 177.300 0.101 0.000 1.153 36 P CA 1.892 64.969 63.100 -0.037 0.000 0.865 36 P CB 0.152 31.733 31.700 -0.200 0.000 0.788 37 S N -2.199 113.533 115.700 0.054 0.000 2.446 37 S HA -0.064 4.407 4.470 0.002 0.000 0.225 37 S C 1.513 176.181 174.600 0.113 0.000 1.016 37 S CA 0.788 59.035 58.200 0.078 0.000 0.943 37 S CB -0.844 62.388 63.200 0.053 0.000 0.786 37 S HN 0.117 nan 8.310 nan 0.000 0.508 38 D N 0.638 121.137 120.400 0.165 0.000 2.355 38 D HA 0.085 4.726 4.640 0.002 0.000 0.218 38 D C 1.261 177.712 176.300 0.251 0.000 1.004 38 D CA 0.076 54.226 54.000 0.250 0.000 0.880 38 D CB -0.275 40.734 40.800 0.349 0.000 0.911 38 D HN 0.344 nan 8.370 nan 0.000 0.528 39 F N 2.892 122.788 119.950 -0.090 0.000 2.045 39 F HA -0.254 4.274 4.527 0.002 0.000 0.297 39 F C 2.331 177.900 175.800 -0.384 0.000 1.114 39 F CA 2.057 59.711 58.000 -0.577 0.000 1.207 39 F CB -0.965 37.562 39.000 -0.789 0.000 0.964 39 F HN 0.022 nan 8.300 nan 0.000 0.486 40 G N -0.641 107.938 108.800 -0.368 0.000 2.503 40 G HA2 -0.268 3.693 3.960 0.002 0.000 0.221 40 G HA3 -0.268 3.693 3.960 0.002 0.000 0.221 40 G C 1.816 176.536 174.900 -0.300 0.000 1.131 40 G CA 1.471 46.307 45.100 -0.440 0.000 0.756 40 G HN 0.750 nan 8.290 nan 0.000 0.572 41 A N -0.145 122.608 122.820 -0.111 0.000 1.898 41 A HA 0.023 4.344 4.320 0.002 0.000 0.216 41 A C 2.177 179.606 177.584 -0.257 0.000 1.181 41 A CA 1.660 53.687 52.037 -0.016 0.000 0.620 41 A CB -0.679 18.481 19.000 0.266 0.000 0.819 41 A HN 0.491 nan 8.150 nan 0.000 0.442 42 Y N 0.728 120.672 120.300 -0.594 0.000 2.081 42 Y HA -0.240 4.311 4.550 0.002 0.000 0.280 42 Y C 1.960 177.503 175.900 -0.596 0.000 1.163 42 Y CA 2.050 59.557 58.100 -0.990 0.000 1.135 42 Y CB -0.426 37.712 38.460 -0.537 0.000 0.970 42 Y HN 0.217 nan 8.280 nan 0.000 0.498 43 L N -0.112 120.782 121.223 -0.548 0.000 2.042 43 L HA -0.264 4.077 4.340 0.002 0.000 0.210 43 L C 2.113 178.799 176.870 -0.308 0.000 1.076 43 L CA 1.645 56.117 54.840 -0.613 0.000 0.749 43 L CB -0.657 40.916 42.059 -0.809 0.000 0.893 43 L HN 0.232 nan 8.230 nan 0.000 0.432 44 D N 0.021 120.255 120.400 -0.276 0.000 2.117 44 D HA -0.159 4.482 4.640 0.002 0.000 0.197 44 D C 2.228 178.437 176.300 -0.151 0.000 0.987 44 D CA 1.460 55.369 54.000 -0.152 0.000 0.829 44 D CB -0.113 40.621 40.800 -0.110 0.000 0.961 44 D HN 0.306 nan 8.370 nan 0.000 0.460 45 A N 0.744 123.418 122.820 -0.242 0.000 1.873 45 A HA -0.181 4.140 4.320 0.002 0.000 0.218 45 A C 2.379 179.838 177.584 -0.208 0.000 1.193 45 A CA 1.341 53.250 52.037 -0.213 0.000 0.629 45 A CB -0.916 17.894 19.000 -0.317 0.000 0.826 45 A HN 0.248 nan 8.150 nan 0.000 0.447 46 L N -1.227 119.820 121.223 -0.294 0.000 2.027 46 L HA -0.167 4.173 4.340 0.002 0.000 0.206 46 L C 2.582 179.416 176.870 -0.059 0.000 1.074 46 L CA 1.758 56.495 54.840 -0.172 0.000 0.745 46 L CB -0.772 41.217 42.059 -0.117 0.000 0.898 46 L HN 0.499 nan 8.230 nan 0.000 0.433 47 E N 0.321 120.517 120.200 -0.007 0.000 2.333 47 E HA -0.203 4.148 4.350 0.002 0.000 0.198 47 E C 2.137 178.705 176.600 -0.053 0.000 1.007 47 E CA 0.853 57.243 56.400 -0.017 0.000 0.845 47 E CB 0.099 29.817 29.700 0.029 0.000 0.766 47 E HN 0.490 nan 8.360 nan 0.000 0.507 48 A N 0.912 123.694 122.820 -0.062 0.000 1.872 48 A HA -0.144 4.177 4.320 0.002 0.000 0.214 48 A C 2.012 179.564 177.584 -0.053 0.000 1.187 48 A CA 0.875 52.879 52.037 -0.055 0.000 0.614 48 A CB -0.248 18.719 19.000 -0.056 0.000 0.826 48 A HN 0.131 nan 8.150 nan 0.000 0.442 49 E N 0.158 120.319 120.200 -0.065 0.000 2.085 49 E HA -0.147 4.204 4.350 0.002 0.000 0.194 49 E C 2.175 178.749 176.600 -0.045 0.000 0.994 49 E CA 1.572 57.937 56.400 -0.058 0.000 0.801 49 E CB -0.437 29.218 29.700 -0.076 0.000 0.743 49 E HN 0.382 nan 8.360 nan 0.000 0.453 50 V N 1.311 121.189 119.914 -0.060 0.000 2.469 50 V HA -0.265 3.856 4.120 0.002 0.000 0.251 50 V C 2.448 178.515 176.094 -0.045 0.000 1.064 50 V CA 1.726 63.982 62.300 -0.073 0.000 1.066 50 V CB -0.931 30.827 31.823 -0.108 0.000 0.667 50 V HN 0.234 nan 8.190 nan 0.000 0.461 51 A N 0.324 123.121 122.820 -0.038 0.000 1.898 51 A HA -0.160 4.161 4.320 0.002 0.000 0.216 51 A C 2.396 179.978 177.584 -0.003 0.000 1.181 51 A CA 1.429 53.452 52.037 -0.023 0.000 0.620 51 A CB -0.422 18.562 19.000 -0.027 0.000 0.819 51 A HN 0.515 nan 8.150 nan 0.000 0.442 52 R N -1.253 119.244 120.500 -0.005 0.000 2.189 52 R HA 0.091 4.432 4.340 0.002 0.000 0.223 52 R C 1.148 177.472 176.300 0.039 0.000 1.092 52 R CA 0.584 56.686 56.100 0.004 0.000 0.989 52 R CB -0.303 29.990 30.300 -0.011 0.000 0.876 52 R HN 0.755 nan 8.270 nan 0.000 0.457 53 G N 0.559 109.402 108.800 0.072 0.000 2.248 53 G HA2 -0.201 3.760 3.960 0.002 0.000 0.252 53 G HA3 -0.201 3.760 3.960 0.002 0.000 0.252 53 G C 0.231 175.262 174.900 0.219 0.000 1.085 53 G CA -0.093 45.136 45.100 0.215 0.000 0.845 53 G HN 0.560 nan 8.290 nan 0.000 0.494 54 G N -1.315 107.538 108.800 0.089 0.000 2.543 54 G HA2 0.759 4.720 3.960 0.002 0.000 0.267 54 G HA3 0.759 4.720 3.960 0.002 0.000 0.267 54 G C -0.222 174.681 174.900 0.005 0.000 1.406 54 G CA -1.018 44.099 45.100 0.029 0.000 1.048 54 G HN 0.763 nan 8.290 nan 0.000 0.548 55 L N -0.130 121.046 121.223 -0.079 0.000 2.410 55 L HA 0.490 4.831 4.340 0.002 0.000 0.270 55 L C -0.820 175.971 176.870 -0.133 0.000 0.983 55 L CA -0.530 54.222 54.840 -0.146 0.000 0.822 55 L CB 2.374 44.243 42.059 -0.316 0.000 1.285 55 L HN 0.296 nan 8.230 nan 0.000 0.409 56 I N 3.596 124.112 120.570 -0.089 0.000 2.354 56 I HA 0.423 4.594 4.170 0.002 0.000 0.292 56 I C -0.525 175.553 176.117 -0.066 0.000 0.989 56 I CA -0.902 60.341 61.300 -0.095 0.000 1.188 56 I CB 1.859 39.841 38.000 -0.031 0.000 1.342 56 I HN 0.159 nan 8.210 nan 0.000 0.457 57 V N 6.337 126.161 119.914 -0.150 0.000 2.435 57 V HA 0.504 4.625 4.120 0.002 0.000 0.290 57 V C -0.535 175.481 176.094 -0.129 0.000 1.030 57 V CA -0.537 61.734 62.300 -0.048 0.000 0.881 57 V CB 1.395 33.203 31.823 -0.025 0.000 0.983 57 V HN 0.408 nan 8.190 nan 0.000 0.445 58 F N 1.406 121.469 119.950 0.189 0.000 2.603 58 F HA 0.528 5.056 4.527 0.001 0.000 0.317 58 F C -0.214 175.724 175.800 0.230 0.000 1.066 58 F CA -0.934 57.195 58.000 0.215 0.000 0.941 58 F CB 1.965 41.108 39.000 0.238 0.000 1.291 58 F HN 0.579 nan 8.300 nan 0.000 0.472 59 H N 1.775 121.073 119.070 0.380 0.000 2.661 59 H HA 0.280 4.837 4.556 0.002 0.000 0.290 59 H C 0.277 175.738 175.328 0.222 0.000 1.082 59 H CA -0.301 55.888 56.048 0.236 0.000 1.234 59 H CB 0.279 30.143 29.762 0.169 0.000 1.387 59 H HN 0.580 nan 8.280 nan 0.000 0.476 60 N N 2.182 120.805 118.700 -0.129 0.000 2.829 60 N HA -0.167 4.574 4.740 0.002 0.000 0.250 60 N C 1.272 176.836 175.510 0.090 0.000 1.090 60 N CA 1.146 54.151 53.050 -0.076 0.000 0.781 60 N CB -1.239 37.157 38.487 -0.152 0.000 1.124 60 N HN 0.806 nan 8.380 nan 0.000 0.559 61 G N -1.326 107.588 108.800 0.189 0.000 2.471 61 G HA2 -0.232 3.729 3.960 0.002 0.000 0.219 61 G HA3 -0.232 3.729 3.960 0.002 0.000 0.219 61 G C 1.120 176.053 174.900 0.055 0.000 1.125 61 G CA 1.110 46.230 45.100 0.033 0.000 0.775 61 G HN 0.595 nan 8.290 nan 0.000 0.548 62 H N -0.094 119.000 119.070 0.040 0.000 2.387 62 H HA 0.034 4.591 4.556 0.002 0.000 0.299 62 H C 2.213 177.448 175.328 -0.155 0.000 1.090 62 H CA 1.516 57.563 56.048 -0.001 0.000 1.332 62 H CB 0.156 29.980 29.762 0.105 0.000 1.386 62 H HN 0.385 nan 8.280 nan 0.000 0.516 63 K N -1.662 118.758 120.400 0.033 0.000 2.374 63 K HA 0.037 4.358 4.320 0.002 0.000 0.196 63 K C 0.124 176.742 176.600 0.030 0.000 1.023 63 K CA -0.023 56.251 56.287 -0.022 0.000 1.103 63 K CB 0.545 33.050 32.500 0.010 0.000 0.848 63 K HN 0.219 nan 8.250 nan 0.000 0.528 64 Y N -1.293 118.906 120.300 -0.168 0.000 2.975 64 Y HA 0.085 4.636 4.550 0.001 0.000 0.127 64 Y C 0.222 175.981 175.900 -0.235 0.000 0.925 64 Y CA 0.336 58.326 58.100 -0.183 0.000 1.894 64 Y CB 0.118 38.491 38.460 -0.145 0.000 1.270 64 Y HN 0.011 nan 8.280 nan 0.000 0.235 65 D N 0.654 120.815 120.400 -0.399 0.000 2.191 65 D HA -0.231 4.410 4.640 0.002 0.000 0.195 65 D C 2.025 177.934 176.300 -0.651 0.000 1.003 65 D CA 2.423 56.025 54.000 -0.663 0.000 0.867 65 D CB -0.147 40.217 40.800 -0.725 0.000 0.926 65 D HN 0.221 nan 8.370 nan 0.000 0.450 66 V N 0.791 120.369 119.914 -0.561 0.000 2.283 66 V HA -0.078 4.043 4.120 0.002 0.000 0.243 66 V C -0.906 175.039 176.094 -0.249 0.000 1.039 66 V CA 1.608 63.710 62.300 -0.330 0.000 1.016 66 V CB -0.962 30.716 31.823 -0.242 0.000 0.650 66 V HN 0.241 nan 8.190 nan 0.000 0.449 67 P HA 0.004 nan 4.420 nan 0.000 0.236 67 P C 1.057 178.209 177.300 -0.247 0.000 1.177 67 P CA 1.419 64.353 63.100 -0.276 0.000 0.773 67 P CB 0.185 31.698 31.700 -0.311 0.000 0.878 68 A N -0.361 122.249 122.820 -0.351 0.000 2.123 68 A HA 0.094 4.415 4.320 0.002 0.000 0.214 68 A C 2.197 179.639 177.584 -0.237 0.000 1.152 68 A CA 0.439 52.247 52.037 -0.381 0.000 0.728 68 A CB -1.025 17.507 19.000 -0.780 0.000 0.814 68 A HN 0.120 nan 8.150 nan 0.000 0.464 69 L N -1.398 119.730 121.223 -0.158 0.000 2.202 69 L HA -0.053 4.288 4.340 0.002 0.000 0.205 69 L C 2.622 179.489 176.870 -0.005 0.000 1.083 69 L CA 1.322 56.137 54.840 -0.042 0.000 0.790 69 L CB -0.638 41.409 42.059 -0.021 0.000 0.942 69 L HN 0.270 nan 8.230 nan 0.000 0.452 70 T N -0.077 114.494 114.554 0.028 0.000 2.720 70 T HA -0.256 4.095 4.350 0.002 0.000 0.268 70 T C 1.870 176.527 174.700 -0.072 0.000 1.037 70 T CA 1.698 63.775 62.100 -0.038 0.000 1.144 70 T CB -0.045 68.745 68.868 -0.131 0.000 0.864 70 T HN 0.228 nan 8.240 nan 0.000 0.444 71 K N 0.712 121.066 120.400 -0.077 0.000 1.985 71 K HA -0.022 4.299 4.320 0.002 0.000 0.210 71 K C 2.236 178.812 176.600 -0.040 0.000 1.047 71 K CA 1.284 57.530 56.287 -0.068 0.000 0.932 71 K CB -0.356 32.087 32.500 -0.096 0.000 0.716 71 K HN 0.258 nan 8.250 nan 0.000 0.439 72 L N 0.680 121.884 121.223 -0.031 0.000 2.131 72 L HA -0.149 4.191 4.340 0.002 0.000 0.210 72 L C 2.653 179.604 176.870 0.136 0.000 1.092 72 L CA 0.995 55.850 54.840 0.026 0.000 0.759 72 L CB -0.615 41.427 42.059 -0.029 0.000 0.903 72 L HN 0.363 nan 8.230 nan 0.000 0.435 73 A N 0.865 123.729 122.820 0.072 0.000 1.865 73 A HA -0.270 4.051 4.320 0.002 0.000 0.217 73 A C 2.711 180.274 177.584 -0.034 0.000 1.191 73 A CA 2.719 54.724 52.037 -0.053 0.000 0.623 73 A CB -0.783 18.137 19.000 -0.133 0.000 0.826 73 A HN 0.341 nan 8.150 nan 0.000 0.444 74 K N -0.192 120.193 120.400 -0.025 0.000 2.002 74 K HA 0.009 4.330 4.320 0.002 0.000 0.209 74 K C 2.004 178.603 176.600 -0.002 0.000 1.048 74 K CA 1.474 57.752 56.287 -0.015 0.000 0.930 74 K CB -1.302 31.193 32.500 -0.009 0.000 0.714 74 K HN 0.321 nan 8.250 nan 0.000 0.438 75 L N 1.534 122.759 121.223 0.003 0.000 1.950 75 L HA -0.303 4.038 4.340 0.002 0.000 0.233 75 L C 2.585 179.467 176.870 0.020 0.000 1.090 75 L CA 2.545 57.388 54.840 0.006 0.000 0.809 75 L CB -1.215 40.842 42.059 -0.004 0.000 0.905 75 L HN 0.659 nan 8.230 nan 0.000 0.439 76 Q N -1.018 118.814 119.800 0.053 0.000 2.226 76 Q HA -0.144 4.197 4.340 0.002 0.000 0.204 76 Q C 1.735 177.769 176.000 0.056 0.000 0.975 76 Q CA 1.200 57.048 55.803 0.075 0.000 0.866 76 Q CB 0.082 28.911 28.738 0.152 0.000 0.915 76 Q HN 0.572 nan 8.270 nan 0.000 0.440 77 L N -0.889 120.347 121.223 0.021 0.000 3.086 77 L HA 0.198 4.539 4.340 0.002 0.000 0.274 77 L C 0.009 176.857 176.870 -0.036 0.000 1.184 77 L CA -0.374 54.448 54.840 -0.031 0.000 1.002 77 L CB 0.379 42.368 42.059 -0.117 0.000 1.383 77 L HN 0.109 nan 8.230 nan 0.000 0.582 78 N N 2.004 120.692 118.700 -0.020 0.000 2.727 78 N HA -0.246 4.495 4.740 0.002 0.000 0.249 78 N C 0.051 175.546 175.510 -0.026 0.000 1.048 78 N CA 0.555 53.596 53.050 -0.016 0.000 0.714 78 N CB -0.468 38.013 38.487 -0.011 0.000 0.959 78 N HN 0.405 nan 8.380 nan 0.000 0.544 79 R N 0.411 120.885 120.500 -0.042 0.000 2.589 79 R HA 0.298 4.639 4.340 0.002 0.000 0.293 79 R C -0.944 175.342 176.300 -0.023 0.000 0.963 79 R CA -0.579 55.494 56.100 -0.046 0.000 0.905 79 R CB 0.851 31.091 30.300 -0.100 0.000 1.144 79 R HN 0.094 nan 8.270 nan 0.000 0.459 80 E N 4.312 124.516 120.200 0.006 0.000 1.993 80 E HA 0.105 4.456 4.350 0.002 0.000 0.271 80 E C -1.380 175.230 176.600 0.017 0.000 1.008 80 E CA -0.194 56.223 56.400 0.028 0.000 0.814 80 E CB 0.552 30.313 29.700 0.102 0.000 1.098 80 E HN 0.340 nan 8.360 nan 0.000 0.407 81 F N 3.786 123.545 119.950 -0.320 0.000 2.444 81 F HA 0.295 4.823 4.527 0.002 0.000 0.342 81 F C -0.351 175.125 175.800 -0.540 0.000 1.121 81 F CA -0.542 57.273 58.000 -0.308 0.000 0.997 81 F CB 0.823 39.662 39.000 -0.269 0.000 1.130 81 F HN 0.268 nan 8.300 nan 0.000 0.454 82 H N 7.964 126.654 119.070 -0.632 0.000 3.021 82 H HA 0.237 4.794 4.556 0.002 0.000 0.293 82 H C -0.808 174.242 175.328 -0.463 0.000 1.244 82 H CA -0.507 55.291 56.048 -0.417 0.000 1.596 82 H CB 1.182 30.826 29.762 -0.196 0.000 1.720 82 H HN 0.556 nan 8.280 nan 0.000 0.537 83 L N 5.013 126.002 121.223 -0.389 0.000 2.462 83 L HA 0.137 4.478 4.340 0.002 0.000 0.272 83 L C -1.620 175.272 176.870 0.036 0.000 1.166 83 L CA -1.377 53.356 54.840 -0.178 0.000 0.880 83 L CB 0.408 42.473 42.059 0.010 0.000 1.142 83 L HN 0.263 nan 8.230 nan 0.000 0.473 84 P HA 0.106 nan 4.420 nan 0.000 0.280 84 P C 0.224 177.243 177.300 -0.468 0.000 1.244 84 P CA -0.594 62.386 63.100 -0.200 0.000 0.784 84 P CB 1.244 32.803 31.700 -0.235 0.000 0.913 85 R N 3.613 123.523 120.500 -0.983 0.000 2.168 85 R HA -0.259 4.082 4.340 0.002 0.000 0.242 85 R C 1.858 177.769 176.300 -0.647 0.000 1.123 85 R CA 2.937 58.063 56.100 -1.624 0.000 0.928 85 R CB -0.745 28.560 30.300 -1.658 0.000 0.873 85 R HN 0.628 nan 8.270 nan 0.000 0.434 86 E N -0.067 119.873 120.200 -0.434 0.000 2.236 86 E HA -0.245 4.106 4.350 0.002 0.000 0.205 86 E C 0.900 177.565 176.600 0.109 0.000 1.028 86 E CA 2.143 58.476 56.400 -0.113 0.000 0.827 86 E CB -0.497 29.018 29.700 -0.308 0.000 0.735 86 E HN 0.588 nan 8.360 nan 0.000 0.470 87 N N -0.493 118.115 118.700 -0.153 0.000 2.270 87 N HA 0.145 4.886 4.740 0.002 0.000 0.198 87 N C -1.011 174.523 175.510 0.040 0.000 1.117 87 N CA 0.045 53.039 53.050 -0.094 0.000 0.845 87 N CB 0.711 39.086 38.487 -0.185 0.000 0.980 87 N HN 0.114 nan 8.380 nan 0.000 0.486 88 C N 0.940 120.345 119.300 0.175 0.000 2.355 88 C HA 0.561 5.022 4.460 0.002 0.000 0.332 88 C C 0.325 175.630 174.990 0.524 0.000 1.255 88 C CA -1.107 58.126 59.018 0.360 0.000 1.792 88 C CB -0.043 27.990 27.740 0.489 0.000 2.300 88 C HN 0.286 nan 8.230 nan 0.000 0.515 89 I N 2.169 122.967 120.570 0.380 0.000 2.740 89 I HA 0.411 4.582 4.170 0.002 0.000 0.303 89 I C -0.862 175.511 176.117 0.427 0.000 1.044 89 I CA -0.038 61.483 61.300 0.369 0.000 1.064 89 I CB 1.967 39.938 38.000 -0.049 0.000 1.249 89 I HN 0.548 nan 8.210 nan 0.000 0.433 90 D N 2.426 123.064 120.400 0.398 0.000 2.473 90 D HA 0.159 4.800 4.640 0.002 0.000 0.253 90 D C 0.876 177.268 176.300 0.152 0.000 1.233 90 D CA -0.338 53.761 54.000 0.165 0.000 0.908 90 D CB 1.553 42.239 40.800 -0.189 0.000 1.170 90 D HN 0.658 nan 8.370 nan 0.000 0.558 91 T N 1.248 115.938 114.554 0.227 0.000 2.849 91 T HA -0.209 4.142 4.350 0.002 0.000 0.270 91 T C 1.922 176.751 174.700 0.214 0.000 1.066 91 T CA 0.630 62.894 62.100 0.273 0.000 1.130 91 T CB -0.001 69.104 68.868 0.396 0.000 0.864 91 T HN 0.317 nan 8.240 nan 0.000 0.481 92 L N 0.987 122.204 121.223 -0.010 0.000 2.005 92 L HA 0.056 4.397 4.340 0.002 0.000 0.207 92 L C 2.725 179.578 176.870 -0.029 0.000 1.072 92 L CA 1.282 56.060 54.840 -0.103 0.000 0.744 92 L CB -0.752 41.114 42.059 -0.323 0.000 0.895 92 L HN 0.115 nan 8.230 nan 0.000 0.433 93 V N -0.194 119.656 119.914 -0.107 0.000 2.250 93 V HA -0.376 3.745 4.120 0.002 0.000 0.250 93 V C 2.559 178.617 176.094 -0.059 0.000 1.060 93 V CA 2.370 64.571 62.300 -0.165 0.000 1.030 93 V CB -0.556 30.971 31.823 -0.493 0.000 0.643 93 V HN 0.432 nan 8.190 nan 0.000 0.445 94 L N -0.471 120.770 121.223 0.029 0.000 2.017 94 L HA -0.174 4.167 4.340 0.002 0.000 0.208 94 L C 2.551 179.479 176.870 0.097 0.000 1.073 94 L CA 1.949 56.871 54.840 0.136 0.000 0.745 94 L CB -0.550 41.679 42.059 0.283 0.000 0.894 94 L HN 0.341 nan 8.230 nan 0.000 0.432 95 S N -0.669 115.121 115.700 0.151 0.000 2.584 95 S HA -0.119 4.352 4.470 0.002 0.000 0.240 95 S C 1.994 176.692 174.600 0.163 0.000 0.975 95 S CA 1.209 59.535 58.200 0.210 0.000 0.949 95 S CB -0.236 63.136 63.200 0.286 0.000 0.761 95 S HN 0.510 nan 8.310 nan 0.000 0.536 96 R N -0.080 120.471 120.500 0.084 0.000 2.308 96 R HA 0.465 4.806 4.340 0.002 0.000 0.202 96 R C 1.556 177.873 176.300 0.027 0.000 0.898 96 R CA 0.684 56.821 56.100 0.062 0.000 1.046 96 R CB -0.744 29.579 30.300 0.039 0.000 1.026 96 R HN 0.452 nan 8.270 nan 0.000 0.512 97 L N -1.171 120.037 121.223 -0.024 0.000 2.640 97 L HA 0.451 4.792 4.340 0.002 0.000 0.230 97 L C 1.180 177.889 176.870 -0.268 0.000 1.123 97 L CA 0.824 55.598 54.840 -0.110 0.000 0.900 97 L CB 0.625 42.605 42.059 -0.130 0.000 1.146 97 L HN 0.183 nan 8.230 nan 0.000 0.484 98 I N -1.577 118.880 120.570 -0.188 0.000 3.565 98 I HA 0.134 4.305 4.170 0.002 0.000 0.287 98 I C 1.100 177.134 176.117 -0.139 0.000 1.193 98 I CA 0.338 61.498 61.300 -0.234 0.000 1.402 98 I CB 0.019 37.890 38.000 -0.215 0.000 1.284 98 I HN 0.112 nan 8.210 nan 0.000 0.454 99 H N 0.632 119.699 119.070 -0.005 0.000 2.655 99 H HA 0.269 4.826 4.556 0.002 0.000 0.309 99 H C 1.815 177.138 175.328 -0.008 0.000 1.180 99 H CA 0.579 56.631 56.048 0.006 0.000 1.087 99 H CB 0.169 29.951 29.762 0.034 0.000 1.494 99 H HN 0.254 nan 8.280 nan 0.000 0.515 100 S N -0.861 114.879 115.700 0.067 0.000 2.420 100 S HA -0.258 4.213 4.470 0.002 0.000 0.237 100 S C 1.899 176.514 174.600 0.025 0.000 1.023 100 S CA 1.525 59.753 58.200 0.047 0.000 0.991 100 S CB -0.443 62.781 63.200 0.040 0.000 0.792 100 S HN 0.674 nan 8.310 nan 0.000 0.488 101 N N 0.768 119.459 118.700 -0.015 0.000 2.415 101 N HA 0.394 5.135 4.740 0.002 0.000 0.176 101 N C 1.228 176.699 175.510 -0.064 0.000 1.042 101 N CA 0.841 53.827 53.050 -0.107 0.000 0.902 101 N CB -0.435 37.880 38.487 -0.287 0.000 0.986 101 N HN 0.312 nan 8.380 nan 0.000 0.447 102 L N 0.164 121.385 121.223 -0.003 0.000 2.563 102 L HA 0.640 4.980 4.340 0.002 0.000 0.150 102 L C 1.039 177.902 176.870 -0.011 0.000 1.484 102 L CA 1.159 55.990 54.840 -0.014 0.000 3.029 102 L CB -0.231 41.813 42.059 -0.024 0.000 2.995 102 L HN 0.621 nan 8.230 nan 0.000 0.944 103 K N -0.225 120.166 120.400 -0.015 0.000 2.622 103 K HA 0.528 4.849 4.320 0.002 0.000 0.263 103 K C -1.733 174.865 176.600 -0.003 0.000 0.947 103 K CA -0.411 55.874 56.287 -0.002 0.000 0.885 103 K CB 0.137 32.636 32.500 -0.001 0.000 1.362 103 K HN 0.614 nan 8.250 nan 0.000 0.413 104 D N -0.764 119.646 120.400 0.016 0.000 2.272 104 D HA 0.476 5.117 4.640 0.002 0.000 0.247 104 D C 0.917 177.240 176.300 0.037 0.000 0.990 104 D CA 0.138 54.155 54.000 0.028 0.000 0.931 104 D CB 1.891 42.719 40.800 0.047 0.000 1.195 104 D HN 0.486 nan 8.370 nan 0.000 0.477 105 T N -4.002 110.578 114.554 0.043 0.000 3.169 105 T HA 0.284 4.635 4.350 0.002 0.000 0.250 105 T C 0.978 175.715 174.700 0.062 0.000 1.111 105 T CA 0.312 62.441 62.100 0.049 0.000 1.010 105 T CB -1.440 67.455 68.868 0.044 0.000 0.984 105 T HN 0.879 nan 8.240 nan 0.000 0.537 106 D N -0.732 119.706 120.400 0.064 0.000 2.746 106 D HA 0.155 4.796 4.640 0.002 0.000 0.236 106 D C 1.029 177.358 176.300 0.048 0.000 1.129 106 D CA 1.106 55.147 54.000 0.067 0.000 0.691 106 D CB -2.744 38.118 40.800 0.103 0.000 1.077 106 D HN 2.122 nan 8.370 nan 0.000 0.432 107 M N -2.717 116.917 119.600 0.056 0.000 2.653 107 M HA 0.413 4.894 4.480 0.002 0.000 0.203 107 M C 2.285 178.602 176.300 0.028 0.000 0.502 107 M CA 2.160 57.489 55.300 0.049 0.000 0.601 107 M CB -2.191 30.416 32.600 0.012 0.000 2.228 107 M HN 2.730 nan 8.290 nan 0.000 0.711 108 G N -4.329 104.494 108.800 0.037 0.000 2.149 108 G HA2 0.360 4.321 3.960 0.002 0.000 0.235 108 G HA3 0.360 4.321 3.960 0.002 0.000 0.235 108 G C 0.809 175.718 174.900 0.015 0.000 1.018 108 G CA 1.063 46.181 45.100 0.031 0.000 0.728 108 G HN 2.813 nan 8.290 nan 0.000 0.508 109 L N -2.306 118.927 121.223 0.016 0.000 2.910 109 L HA 0.954 5.295 4.340 0.002 0.000 0.252 109 L C 0.843 177.744 176.870 0.052 0.000 1.195 109 L CA 0.937 55.775 54.840 -0.004 0.000 1.003 109 L CB -0.445 41.581 42.059 -0.056 0.000 1.328 109 L HN 2.057 nan 8.230 nan 0.000 0.540 110 L N -2.386 118.874 121.223 0.063 0.000 2.591 110 L HA 0.922 5.263 4.340 0.002 0.000 0.257 110 L C 0.122 177.023 176.870 0.053 0.000 0.935 110 L CA -0.561 54.325 54.840 0.078 0.000 0.873 110 L CB 0.553 42.674 42.059 0.104 0.000 1.397 110 L HN 1.004 nan 8.230 nan 0.000 0.414 111 R N 1.380 121.908 120.500 0.046 0.000 2.267 111 R HA 0.741 5.082 4.340 0.002 0.000 0.319 111 R C 1.111 177.428 176.300 0.029 0.000 1.067 111 R CA 0.418 56.538 56.100 0.033 0.000 0.936 111 R CB 0.004 30.322 30.300 0.029 0.000 1.006 111 R HN 2.595 nan 8.270 nan 0.000 0.452 112 S N 0.928 116.642 115.700 0.023 0.000 2.607 112 S HA 0.110 4.581 4.470 0.002 0.000 0.224 112 S C 2.067 176.674 174.600 0.012 0.000 0.969 112 S CA 0.915 59.125 58.200 0.017 0.000 0.927 112 S CB 0.165 63.372 63.200 0.012 0.000 0.772 112 S HN 1.052 nan 8.310 nan 0.000 0.533 113 G N 0.192 109.000 108.800 0.013 0.000 2.534 113 G HA2 0.243 4.204 3.960 0.002 0.000 0.217 113 G HA3 0.243 4.204 3.960 0.002 0.000 0.217 113 G C 1.399 176.305 174.900 0.010 0.000 1.128 113 G CA 1.203 46.308 45.100 0.009 0.000 0.784 113 G HN 0.727 nan 8.290 nan 0.000 0.542 114 K N -0.047 120.361 120.400 0.014 0.000 2.360 114 K HA 0.564 4.885 4.320 0.002 0.000 0.196 114 K C 0.803 177.411 176.600 0.013 0.000 1.049 114 K CA -0.193 56.102 56.287 0.014 0.000 1.049 114 K CB -0.055 32.455 32.500 0.017 0.000 0.881 114 K HN 0.292 nan 8.250 nan 0.000 0.542 115 L N 3.177 124.408 121.223 0.014 0.000 2.313 115 L HA 0.275 4.616 4.340 0.002 0.000 0.282 115 L C -1.817 175.058 176.870 0.007 0.000 1.092 115 L CA -2.004 52.843 54.840 0.012 0.000 0.831 115 L CB 1.082 43.150 42.059 0.014 0.000 1.159 115 L HN 0.283 nan 8.230 nan 0.000 0.442 116 P HA 0.288 nan 4.420 nan 0.000 0.277 116 P C 0.210 177.509 177.300 -0.001 0.000 1.276 116 P CA 0.078 63.181 63.100 0.004 0.000 0.788 116 P CB 0.594 32.298 31.700 0.007 0.000 1.114 125 L N 1.587 122.783 121.223 -0.045 0.000 2.350 125 L HA 0.817 5.158 4.340 0.002 0.000 0.275 125 L C 0.677 177.490 176.870 -0.095 0.000 1.099 125 L CA 0.102 54.908 54.840 -0.057 0.000 0.808 125 L CB 0.141 42.178 42.059 -0.038 0.000 1.149 125 L HN 1.109 nan 8.230 nan 0.000 0.442 126 E N 1.354 121.472 120.200 -0.137 0.000 2.718 126 E HA 0.391 4.742 4.350 0.002 0.000 0.263 126 E C 1.261 177.751 176.600 -0.183 0.000 1.434 126 E CA 0.770 57.039 56.400 -0.219 0.000 1.106 126 E CB 0.844 30.366 29.700 -0.296 0.000 1.029 126 E HN 0.912 nan 8.360 nan 0.000 0.631 127 A N -0.015 122.648 122.820 -0.262 0.000 1.941 127 A HA -0.027 4.294 4.320 0.002 0.000 0.214 127 A C 1.686 179.114 177.584 -0.260 0.000 1.368 127 A CA 0.404 52.221 52.037 -0.366 0.000 0.651 127 A CB -0.880 17.711 19.000 -0.682 0.000 1.064 127 A HN 0.785 nan 8.150 nan 0.000 0.492 128 W N 0.471 121.759 121.300 -0.019 0.000 2.467 128 W HA 0.173 4.834 4.660 0.001 0.000 0.275 128 W C 2.294 178.791 176.519 -0.038 0.000 1.239 128 W CA 0.345 57.673 57.345 -0.027 0.000 1.266 128 W CB -0.581 28.860 29.460 -0.031 0.000 1.112 128 W HN 0.401 nan 8.180 nan 0.000 0.576 129 G N 0.892 109.788 108.800 0.160 0.000 2.514 129 G HA2 -0.411 3.550 3.960 0.002 0.000 0.217 129 G HA3 -0.411 3.550 3.960 0.002 0.000 0.217 129 G C 1.561 176.508 174.900 0.078 0.000 1.198 129 G CA 2.296 47.461 45.100 0.107 0.000 0.780 129 G HN 0.438 nan 8.290 nan 0.000 0.565 130 Y N -0.187 120.132 120.300 0.031 0.000 2.509 130 Y HA 0.235 4.786 4.550 0.002 0.000 0.293 130 Y C 2.564 178.492 175.900 0.046 0.000 1.133 130 Y CA 1.458 59.574 58.100 0.026 0.000 1.283 130 Y CB -0.210 38.246 38.460 -0.006 0.000 1.001 130 Y HN 0.137 nan 8.280 nan 0.000 0.555 131 R N 0.124 120.666 120.500 0.070 0.000 2.391 131 R HA 0.333 4.674 4.340 0.002 0.000 0.249 131 R C 0.692 177.066 176.300 0.122 0.000 0.957 131 R CA 0.259 56.420 56.100 0.102 0.000 1.093 131 R CB -0.343 30.039 30.300 0.136 0.000 1.156 131 R HN 0.705 nan 8.270 nan 0.000 0.526 132 L N -3.076 118.207 121.223 0.101 0.000 3.066 132 L HA 0.227 4.568 4.340 0.002 0.000 0.272 132 L C 1.624 178.553 176.870 0.100 0.000 1.101 132 L CA 0.484 55.370 54.840 0.078 0.000 1.022 132 L CB 0.427 42.477 42.059 -0.014 0.000 1.600 132 L HN 0.173 nan 8.230 nan 0.000 0.559 133 G N -0.070 108.791 108.800 0.101 0.000 2.439 133 G HA2 -0.168 3.793 3.960 0.002 0.000 0.212 133 G HA3 -0.168 3.793 3.960 0.002 0.000 0.212 133 G C 1.316 176.264 174.900 0.079 0.000 1.199 133 G CA 0.997 46.153 45.100 0.092 0.000 0.807 133 G HN 0.327 nan 8.290 nan 0.000 0.537 134 E N 0.487 120.729 120.200 0.069 0.000 2.268 134 E HA 0.012 4.363 4.350 0.002 0.000 0.195 134 E C 2.144 178.790 176.600 0.075 0.000 0.995 134 E CA 1.437 57.874 56.400 0.061 0.000 0.836 134 E CB -0.590 29.137 29.700 0.044 0.000 0.763 134 E HN 0.502 nan 8.360 nan 0.000 0.491 135 M N 0.515 120.166 119.600 0.084 0.000 2.426 135 M HA -0.126 4.355 4.480 0.002 0.000 0.261 135 M C 2.334 178.711 176.300 0.127 0.000 1.068 135 M CA 2.743 58.101 55.300 0.096 0.000 1.066 135 M CB -0.311 32.347 32.600 0.096 0.000 1.399 135 M HN 0.355 nan 8.290 nan 0.000 0.449 136 K N -0.203 120.283 120.400 0.143 0.000 2.103 136 K HA 0.184 4.505 4.320 0.002 0.000 0.204 136 K C 2.093 178.826 176.600 0.221 0.000 1.052 136 K CA 1.364 57.782 56.287 0.219 0.000 0.945 136 K CB -1.966 30.665 32.500 0.217 0.000 0.722 136 K HN 0.672 nan 8.250 nan 0.000 0.443 137 G N 0.451 109.336 108.800 0.140 0.000 2.471 137 G HA2 0.014 3.975 3.960 0.002 0.000 0.219 137 G HA3 0.014 3.975 3.960 0.002 0.000 0.219 137 G C 1.781 176.713 174.900 0.053 0.000 1.125 137 G CA 1.404 46.558 45.100 0.090 0.000 0.775 137 G HN 0.695 nan 8.290 nan 0.000 0.548 138 E N 0.226 120.468 120.200 0.071 0.000 2.153 138 E HA -0.176 4.175 4.350 0.002 0.000 0.194 138 E C 2.006 178.627 176.600 0.035 0.000 0.988 138 E CA 1.160 57.585 56.400 0.043 0.000 0.811 138 E CB -0.695 29.040 29.700 0.059 0.000 0.746 138 E HN 0.654 nan 8.360 nan 0.000 0.466 139 Y N 0.447 120.717 120.300 -0.049 0.000 2.395 139 Y HA 0.110 4.661 4.550 0.002 0.000 0.293 139 Y C 2.336 178.145 175.900 -0.152 0.000 1.123 139 Y CA 1.780 59.808 58.100 -0.120 0.000 1.227 139 Y CB 0.174 38.524 38.460 -0.184 0.000 1.012 139 Y HN 0.199 nan 8.280 nan 0.000 0.552 140 K N 0.260 120.587 120.400 -0.121 0.000 1.973 140 K HA -0.171 4.150 4.320 0.002 0.000 0.210 140 K C 1.536 177.998 176.600 -0.231 0.000 1.045 140 K CA 2.039 58.214 56.287 -0.186 0.000 0.937 140 K CB -0.279 32.177 32.500 -0.074 0.000 0.721 140 K HN 0.289 nan 8.250 nan 0.000 0.438 141 D N 0.934 121.222 120.400 -0.188 0.000 2.178 141 D HA -0.191 4.450 4.640 0.002 0.000 0.201 141 D C 1.632 177.820 176.300 -0.187 0.000 0.980 141 D CA 0.949 54.834 54.000 -0.193 0.000 0.842 141 D CB -0.378 40.339 40.800 -0.138 0.000 0.948 141 D HN 0.412 nan 8.370 nan 0.000 0.472 142 D N -0.432 119.857 120.400 -0.185 0.000 2.178 142 D HA -0.151 4.489 4.640 0.002 0.000 0.201 142 D C 1.660 177.827 176.300 -0.222 0.000 0.980 142 D CA 0.516 54.405 54.000 -0.184 0.000 0.842 142 D CB 0.079 40.778 40.800 -0.169 0.000 0.948 142 D HN 0.153 nan 8.370 nan 0.000 0.472 143 F N 1.127 120.796 119.950 -0.469 0.000 2.274 143 F HA 0.058 4.586 4.527 0.001 0.000 0.288 143 F C 2.557 178.180 175.800 -0.296 0.000 1.069 143 F CA 1.673 59.397 58.000 -0.460 0.000 1.343 143 F CB -0.434 38.156 39.000 -0.684 0.000 1.089 143 F HN -0.163 nan 8.300 nan 0.000 0.517 144 K N 1.081 121.366 120.400 -0.191 0.000 2.001 144 K HA -0.161 4.160 4.320 0.002 0.000 0.214 144 K C 2.266 178.699 176.600 -0.278 0.000 1.050 144 K CA 2.679 58.805 56.287 -0.268 0.000 0.934 144 K CB -1.915 30.310 32.500 -0.458 0.000 0.718 144 K HN 0.459 nan 8.250 nan 0.000 0.443 145 R N -0.720 119.635 120.500 -0.242 0.000 2.103 145 R HA 0.022 4.363 4.340 0.002 0.000 0.234 145 R C 3.023 179.191 176.300 -0.220 0.000 1.132 145 R CA 3.496 59.477 56.100 -0.198 0.000 0.925 145 R CB -1.899 28.304 30.300 -0.161 0.000 0.842 145 R HN 1.154 nan 8.270 nan 0.000 0.430 146 M N 0.627 120.076 119.600 -0.251 0.000 2.699 146 M HA 0.434 4.915 4.480 0.002 0.000 0.253 146 M C 2.411 178.521 176.300 -0.317 0.000 1.062 146 M CA 2.604 57.749 55.300 -0.259 0.000 1.050 146 M CB -1.667 30.776 32.600 -0.263 0.000 1.380 146 M HN 1.377 nan 8.290 nan 0.000 0.520 147 L N -3.017 117.993 121.223 -0.355 0.000 3.467 147 L HA 0.727 5.068 4.340 0.002 0.000 0.315 147 L C 1.684 178.424 176.870 -0.216 0.000 1.184 147 L CA 1.262 55.897 54.840 -0.341 0.000 1.124 147 L CB -1.189 40.528 42.059 -0.570 0.000 1.585 147 L HN 0.709 nan 8.230 nan 0.000 0.617 148 E N 0.460 120.549 120.200 -0.186 0.000 2.494 148 E HA 0.372 4.723 4.350 0.002 0.000 0.193 148 E C 1.493 178.034 176.600 -0.098 0.000 1.074 148 E CA 1.647 57.978 56.400 -0.115 0.000 0.867 148 E CB -0.484 29.146 29.700 -0.117 0.000 0.924 148 E HN 1.111 nan 8.360 nan 0.000 0.502 149 E N -0.242 119.891 120.200 -0.111 0.000 2.421 149 E HA 0.017 4.368 4.350 0.002 0.000 0.209 149 E C 1.534 178.085 176.600 -0.081 0.000 0.871 149 E CA 0.083 56.430 56.400 -0.089 0.000 1.064 149 E CB -0.014 29.630 29.700 -0.093 0.000 1.075 149 E HN 0.324 nan 8.360 nan 0.000 0.513 150 Q N 0.218 119.959 119.800 -0.098 0.000 2.292 150 Q HA 0.318 4.659 4.340 0.002 0.000 0.247 150 Q C 1.442 177.401 176.000 -0.070 0.000 0.911 150 Q CA 0.259 56.010 55.803 -0.086 0.000 0.948 150 Q CB -0.232 28.443 28.738 -0.105 0.000 1.093 150 Q HN 0.740 nan 8.270 nan 0.000 0.428 151 G N 1.284 110.049 108.800 -0.058 0.000 2.674 151 G HA2 -0.366 3.595 3.960 0.002 0.000 0.236 151 G HA3 -0.366 3.595 3.960 0.002 0.000 0.236 151 G C 0.144 175.019 174.900 -0.042 0.000 1.178 151 G CA 0.332 45.407 45.100 -0.043 0.000 0.721 151 G HN 0.515 nan 8.290 nan 0.000 0.515 152 E N 3.065 123.231 120.200 -0.057 0.000 2.463 152 E HA 0.436 4.787 4.350 0.002 0.000 0.248 152 E C 0.802 177.373 176.600 -0.048 0.000 1.106 152 E CA 0.490 56.856 56.400 -0.056 0.000 0.946 152 E CB -0.026 29.622 29.700 -0.086 0.000 0.971 152 E HN 0.820 nan 8.360 nan 0.000 0.478 153 E N 3.927 124.114 120.200 -0.021 0.000 2.376 153 E HA -0.027 4.324 4.350 0.002 0.000 0.266 153 E C -0.585 176.025 176.600 0.017 0.000 1.009 153 E CA -0.305 56.099 56.400 0.007 0.000 0.902 153 E CB 0.257 29.966 29.700 0.016 0.000 0.972 153 E HN 0.477 nan 8.360 nan 0.000 0.439 154 Y N 2.216 122.468 120.300 -0.080 0.000 2.712 154 Y HA 0.286 4.837 4.550 0.002 0.000 0.333 154 Y C 0.061 175.929 175.900 -0.053 0.000 1.225 154 Y CA 0.287 58.334 58.100 -0.088 0.000 1.499 154 Y CB 0.629 39.042 38.460 -0.078 0.000 1.288 154 Y HN 0.374 nan 8.280 nan 0.000 0.575 155 V N 6.693 126.180 119.914 -0.711 0.000 2.398 155 V HA 0.305 4.426 4.120 0.002 0.000 0.286 155 V C 0.956 176.688 176.094 -0.604 0.000 1.026 155 V CA -0.025 62.012 62.300 -0.438 0.000 0.868 155 V CB 0.309 32.003 31.823 -0.215 0.000 0.982 155 V HN 1.111 nan 8.190 nan 0.000 0.443 156 D N 3.863 124.180 120.400 -0.137 0.000 2.347 156 D HA -0.318 4.322 4.640 0.002 0.000 0.587 156 D C 1.400 177.715 176.300 0.025 0.000 0.695 156 D CA 2.247 56.267 54.000 0.033 0.000 1.643 156 D CB -1.142 39.739 40.800 0.135 0.000 0.231 156 D HN 1.456 nan 8.370 nan 0.000 0.328 157 G N -1.432 107.336 108.800 -0.053 0.000 4.921 157 G HA2 0.493 4.454 3.960 0.002 0.000 0.248 157 G HA3 0.493 4.454 3.960 0.002 0.000 0.248 157 G C 0.958 175.668 174.900 -0.317 0.000 1.026 157 G CA 0.961 46.077 45.100 0.026 0.000 0.825 157 G HN 1.060 nan 8.290 nan 0.000 0.538 158 M N -0.429 118.493 119.600 -1.131 0.000 2.700 158 M HA 0.098 4.579 4.480 0.002 0.000 0.249 158 M C 1.538 177.161 176.300 -1.128 0.000 1.082 158 M CA 1.427 55.381 55.300 -2.245 0.000 1.077 158 M CB -0.564 30.502 32.600 -2.557 0.000 1.477 158 M HN 0.225 nan 8.290 nan 0.000 0.529 159 E N -0.127 119.658 120.200 -0.692 0.000 2.472 159 E HA -0.122 4.229 4.350 0.002 0.000 0.200 159 E C 0.629 176.688 176.600 -0.902 0.000 1.046 159 E CA 0.992 56.747 56.400 -1.075 0.000 0.871 159 E CB -0.476 28.804 29.700 -0.700 0.000 0.806 159 E HN 0.829 nan 8.360 nan 0.000 0.533 160 W N -1.420 119.724 121.300 -0.261 0.000 2.534 160 W HA 0.298 4.959 4.660 0.001 0.000 0.339 160 W C 0.670 177.335 176.519 0.243 0.000 0.961 160 W CA -1.100 56.242 57.345 -0.005 0.000 1.545 160 W CB 0.181 29.693 29.460 0.087 0.000 1.104 160 W HN -0.011 nan 8.180 nan 0.000 0.538 161 W N 1.300 122.714 121.300 0.190 0.000 2.333 161 W HA -0.067 4.593 4.660 0.001 0.000 0.316 161 W C 0.616 177.269 176.519 0.224 0.000 1.215 161 W CA 0.967 58.416 57.345 0.173 0.000 1.278 161 W CB -1.276 28.232 29.460 0.081 0.000 1.154 161 W HN -0.292 nan 8.180 nan 0.000 0.486 162 N N -0.826 118.053 118.700 0.299 0.000 2.238 162 N HA 0.119 4.860 4.740 0.002 0.000 0.302 162 N C -1.001 174.383 175.510 -0.210 0.000 1.072 162 N CA -0.754 52.387 53.050 0.153 0.000 0.792 162 N CB 2.032 40.636 38.487 0.195 0.000 1.425 162 N HN -0.229 nan 8.380 nan 0.000 0.478 163 F N 2.703 122.384 119.950 -0.448 0.000 2.539 163 F HA 0.156 4.684 4.527 0.001 0.000 0.340 163 F C 0.600 176.304 175.800 -0.159 0.000 1.185 163 F CA 0.263 58.000 58.000 -0.438 0.000 1.333 163 F CB 0.403 39.312 39.000 -0.151 0.000 1.152 163 F HN 0.674 nan 8.300 nan 0.000 0.602 164 N N 1.532 119.282 118.700 -1.585 0.000 3.356 164 N HA 0.076 4.817 4.740 0.002 0.000 0.246 164 N C -0.415 174.441 175.510 -1.090 0.000 1.480 164 N CA -0.811 51.585 53.050 -1.091 0.000 0.877 164 N CB 0.785 39.032 38.487 -0.401 0.000 1.431 164 N HN 0.417 nan 8.380 nan 0.000 0.500 165 E N 0.223 120.123 120.200 -0.500 0.000 2.047 165 E HA -0.176 4.175 4.350 0.002 0.000 0.191 165 E C 2.180 178.692 176.600 -0.147 0.000 0.987 165 E CA 2.243 58.490 56.400 -0.255 0.000 0.799 165 E CB -0.906 28.727 29.700 -0.112 0.000 0.752 165 E HN 0.765 nan 8.360 nan 0.000 0.449 166 E N 1.681 121.826 120.200 -0.091 0.000 2.065 166 E HA -0.260 4.091 4.350 0.002 0.000 0.201 166 E C 1.858 178.530 176.600 0.121 0.000 1.016 166 E CA 2.090 58.504 56.400 0.025 0.000 0.818 166 E CB -0.897 28.813 29.700 0.016 0.000 0.749 166 E HN 0.332 nan 8.360 nan 0.000 0.453 167 M N -1.141 118.521 119.600 0.103 0.000 2.108 167 M HA -0.150 4.331 4.480 0.002 0.000 0.261 167 M C 2.546 178.780 176.300 -0.110 0.000 1.066 167 M CA 2.661 57.863 55.300 -0.165 0.000 1.107 167 M CB -0.113 32.283 32.600 -0.340 0.000 1.356 167 M HN 0.462 nan 8.290 nan 0.000 0.406 168 M N 0.705 120.259 119.600 -0.076 0.000 2.279 168 M HA -0.187 4.294 4.480 0.002 0.000 0.264 168 M C 1.077 177.422 176.300 0.074 0.000 1.062 168 M CA 1.818 57.184 55.300 0.111 0.000 1.099 168 M CB -0.490 32.221 32.600 0.186 0.000 1.394 168 M HN 0.249 nan 8.290 nan 0.000 0.426 169 D N -0.641 119.780 120.400 0.034 0.000 2.107 169 D HA -0.110 4.531 4.640 0.002 0.000 0.204 169 D C 2.263 178.590 176.300 0.045 0.000 0.978 169 D CA 2.156 56.180 54.000 0.041 0.000 0.852 169 D CB -1.048 39.771 40.800 0.031 0.000 1.008 169 D HN 0.507 nan 8.370 nan 0.000 0.458 170 Y N 1.476 121.802 120.300 0.043 0.000 2.365 170 Y HA -0.242 4.309 4.550 0.002 0.000 0.287 170 Y C 2.070 177.987 175.900 0.028 0.000 1.162 170 Y CA 2.154 60.277 58.100 0.038 0.000 1.260 170 Y CB -1.639 36.836 38.460 0.025 0.000 0.976 170 Y HN 0.133 nan 8.280 nan 0.000 0.548 171 N N -0.136 118.579 118.700 0.025 0.000 2.022 171 N HA -0.188 4.553 4.740 0.002 0.000 0.195 171 N C 1.855 177.427 175.510 0.102 0.000 1.063 171 N CA 1.902 54.990 53.050 0.064 0.000 0.851 171 N CB -0.300 38.234 38.487 0.080 0.000 1.050 171 N HN 0.284 nan 8.380 nan 0.000 0.425 172 V N 0.885 120.869 119.914 0.117 0.000 2.363 172 V HA -0.261 3.860 4.120 0.002 0.000 0.254 172 V C 2.447 178.617 176.094 0.126 0.000 1.074 172 V CA 1.818 64.209 62.300 0.152 0.000 1.069 172 V CB -0.828 31.068 31.823 0.121 0.000 0.659 172 V HN 0.457 nan 8.190 nan 0.000 0.455 173 Q N -0.111 119.735 119.800 0.076 0.000 2.172 173 Q HA -0.151 4.190 4.340 0.002 0.000 0.200 173 Q C 1.775 177.815 176.000 0.066 0.000 0.964 173 Q CA 1.705 57.541 55.803 0.055 0.000 0.855 173 Q CB -0.486 28.279 28.738 0.045 0.000 0.918 173 Q HN 0.708 nan 8.270 nan 0.000 0.444 174 D N -1.306 119.142 120.400 0.080 0.000 2.106 174 D HA -0.164 4.477 4.640 0.002 0.000 0.191 174 D C 1.713 178.054 176.300 0.068 0.000 0.997 174 D CA 1.657 55.703 54.000 0.078 0.000 0.834 174 D CB -0.043 40.821 40.800 0.106 0.000 0.956 174 D HN 0.109 nan 8.370 nan 0.000 0.448 175 V N 0.386 120.364 119.914 0.108 0.000 2.332 175 V HA -0.257 3.864 4.120 0.002 0.000 0.248 175 V C 2.607 178.743 176.094 0.070 0.000 1.055 175 V CA 1.815 64.174 62.300 0.099 0.000 1.038 175 V CB -0.682 31.220 31.823 0.132 0.000 0.651 175 V HN 0.278 nan 8.190 nan 0.000 0.450 176 V N -1.391 118.590 119.914 0.112 0.000 2.261 176 V HA -0.205 3.916 4.120 0.002 0.000 0.246 176 V C 2.228 178.257 176.094 -0.109 0.000 1.047 176 V CA 2.295 64.616 62.300 0.035 0.000 1.015 176 V CB -1.191 30.627 31.823 -0.008 0.000 0.642 176 V HN 0.286 nan 8.190 nan 0.000 0.446 177 V N 1.118 120.967 119.914 -0.108 0.000 2.392 177 V HA -0.266 3.855 4.120 0.002 0.000 0.249 177 V C 2.768 178.616 176.094 -0.410 0.000 1.059 177 V CA 2.736 64.884 62.300 -0.252 0.000 1.051 177 V CB -1.590 30.193 31.823 -0.067 0.000 0.658 177 V HN 0.710 nan 8.190 nan 0.000 0.455 178 T N 0.165 114.590 114.554 -0.214 0.000 2.614 178 T HA -0.209 4.142 4.350 0.002 0.000 0.263 178 T C 2.344 176.941 174.700 -0.171 0.000 1.055 178 T CA 2.465 64.462 62.100 -0.172 0.000 1.162 178 T CB -0.532 68.323 68.868 -0.020 0.000 0.863 178 T HN 0.641 nan 8.240 nan 0.000 0.414 179 K N 1.398 121.741 120.400 -0.096 0.000 2.127 179 K HA 0.040 4.361 4.320 0.002 0.000 0.208 179 K C 2.516 179.042 176.600 -0.124 0.000 1.047 179 K CA 1.924 58.195 56.287 -0.027 0.000 0.927 179 K CB -1.489 31.002 32.500 -0.015 0.000 0.716 179 K HN 0.495 nan 8.250 nan 0.000 0.450 180 A N 0.705 123.329 122.820 -0.325 0.000 1.865 180 A HA -0.045 4.276 4.320 0.002 0.000 0.217 180 A C 2.422 179.635 177.584 -0.618 0.000 1.191 180 A CA 1.611 53.328 52.037 -0.533 0.000 0.623 180 A CB -0.499 17.890 19.000 -1.018 0.000 0.826 180 A HN 0.509 nan 8.150 nan 0.000 0.444 181 L N -1.117 119.573 121.223 -0.887 0.000 1.943 181 L HA -0.218 4.123 4.340 0.002 0.000 0.215 181 L C 2.538 179.334 176.870 -0.123 0.000 1.074 181 L CA 2.099 56.597 54.840 -0.571 0.000 0.759 181 L CB -0.502 41.318 42.059 -0.399 0.000 0.888 181 L HN 0.495 nan 8.230 nan 0.000 0.433 182 L N 0.558 121.737 121.223 -0.072 0.000 2.119 182 L HA -0.350 3.991 4.340 0.002 0.000 0.226 182 L C 2.577 179.458 176.870 0.018 0.000 1.093 182 L CA 3.012 57.862 54.840 0.017 0.000 0.806 182 L CB -1.192 40.893 42.059 0.042 0.000 0.902 182 L HN 0.492 nan 8.230 nan 0.000 0.444 183 E N -0.469 119.744 120.200 0.021 0.000 2.006 183 E HA -0.166 4.185 4.350 0.002 0.000 0.192 183 E C 2.383 179.038 176.600 0.092 0.000 0.993 183 E CA 2.230 58.659 56.400 0.048 0.000 0.808 183 E CB -1.357 28.386 29.700 0.072 0.000 0.764 183 E HN 0.650 nan 8.360 nan 0.000 0.449 184 K N 0.182 120.668 120.400 0.144 0.000 2.374 184 K HA -0.010 4.311 4.320 0.002 0.000 0.202 184 K C 2.225 178.945 176.600 0.201 0.000 1.044 184 K CA 1.765 58.186 56.287 0.223 0.000 0.933 184 K CB -0.900 31.838 32.500 0.397 0.000 0.745 184 K HN 0.469 nan 8.250 nan 0.000 0.474 185 L N -1.010 120.316 121.223 0.172 0.000 2.269 185 L HA 0.153 4.494 4.340 0.002 0.000 0.200 185 L C 2.548 179.567 176.870 0.248 0.000 1.069 185 L CA 0.321 55.284 54.840 0.204 0.000 0.804 185 L CB -0.102 42.079 42.059 0.203 0.000 0.987 185 L HN 0.201 nan 8.230 nan 0.000 0.468 186 L N -0.065 121.167 121.223 0.015 0.000 2.191 186 L HA -0.156 4.185 4.340 0.002 0.000 0.212 186 L C 2.772 179.724 176.870 0.136 0.000 1.103 186 L CA 1.270 55.941 54.840 -0.281 0.000 0.769 186 L CB -0.746 41.088 42.059 -0.374 0.000 0.908 186 L HN 0.403 nan 8.230 nan 0.000 0.438 187 S N -1.403 114.394 115.700 0.162 0.000 2.442 187 S HA -0.180 4.291 4.470 0.002 0.000 0.236 187 S C 1.032 175.769 174.600 0.228 0.000 1.007 187 S CA 0.406 58.715 58.200 0.182 0.000 0.965 187 S CB -0.520 62.771 63.200 0.151 0.000 0.773 187 S HN 0.407 nan 8.310 nan 0.000 0.504 188 D N 2.423 122.996 120.400 0.287 0.000 2.402 188 D HA 0.202 4.843 4.640 0.002 0.000 0.268 188 D C 1.214 177.676 176.300 0.271 0.000 1.294 188 D CA 0.652 54.818 54.000 0.276 0.000 0.945 188 D CB 1.058 42.058 40.800 0.334 0.000 1.112 188 D HN 0.487 nan 8.370 nan 0.000 0.517 189 K N 3.425 123.939 120.400 0.190 0.000 2.362 189 K HA -0.196 4.125 4.320 0.002 0.000 0.200 189 K C 1.765 178.406 176.600 0.068 0.000 1.046 189 K CA 1.755 58.129 56.287 0.145 0.000 0.952 189 K CB -0.756 31.817 32.500 0.122 0.000 0.753 189 K HN 0.722 nan 8.250 nan 0.000 0.466 190 H N -1.514 117.512 119.070 -0.074 0.000 2.436 190 H HA 0.058 4.615 4.556 0.002 0.000 0.294 190 H C 1.277 176.298 175.328 -0.512 0.000 1.048 190 H CA 1.927 57.791 56.048 -0.306 0.000 1.353 190 H CB 0.102 29.574 29.762 -0.485 0.000 1.414 190 H HN 0.570 nan 8.280 nan 0.000 0.536 191 Y N -1.869 118.232 120.300 -0.332 0.000 2.507 191 Y HA 0.235 4.786 4.550 0.002 0.000 0.263 191 Y C -0.350 174.951 175.900 -0.998 0.000 1.093 191 Y CA -0.313 57.364 58.100 -0.705 0.000 1.285 191 Y CB 0.717 38.686 38.460 -0.818 0.000 1.115 191 Y HN -0.014 nan 8.280 nan 0.000 0.533 192 F N 0.776 120.708 119.950 -0.030 0.000 2.553 192 F HA 0.455 4.983 4.527 0.002 0.000 0.335 192 F C -2.771 173.085 175.800 0.093 0.000 1.148 192 F CA -3.633 54.297 58.000 -0.117 0.000 0.963 192 F CB 1.161 40.018 39.000 -0.238 0.000 1.217 192 F HN -0.284 nan 8.300 nan 0.000 0.441 193 P HA 0.100 nan 4.420 nan 0.000 0.263 193 P C -2.048 175.408 177.300 0.260 0.000 1.195 193 P CA -0.826 62.411 63.100 0.229 0.000 0.762 193 P CB 0.597 32.409 31.700 0.187 0.000 0.799 194 P HA -0.178 nan 4.420 nan 0.000 0.219 194 P C 0.960 178.304 177.300 0.074 0.000 1.146 194 P CA 1.302 64.481 63.100 0.132 0.000 0.808 194 P CB 0.023 31.784 31.700 0.101 0.000 0.779 195 E N -0.965 119.267 120.200 0.054 0.000 2.331 195 E HA -0.062 4.289 4.350 0.002 0.000 0.199 195 E C 0.709 177.274 176.600 -0.058 0.000 1.008 195 E CA 0.697 57.100 56.400 0.005 0.000 0.843 195 E CB -0.400 29.306 29.700 0.009 0.000 0.761 195 E HN 0.331 nan 8.360 nan 0.000 0.507 196 I N -0.280 120.228 120.570 -0.104 0.000 2.693 196 I HA 0.251 4.422 4.170 0.002 0.000 0.303 196 I C -0.638 175.245 176.117 -0.391 0.000 1.025 196 I CA -1.042 60.054 61.300 -0.341 0.000 1.086 196 I CB 1.923 39.526 38.000 -0.662 0.000 1.268 196 I HN -0.256 nan 8.210 nan 0.000 0.440 197 D N 3.029 123.162 120.400 -0.444 0.000 2.438 197 D HA 0.330 4.971 4.640 0.002 0.000 0.257 197 D C 0.343 176.422 176.300 -0.369 0.000 1.148 197 D CA -0.402 53.423 54.000 -0.292 0.000 0.902 197 D CB 0.461 41.163 40.800 -0.163 0.000 1.062 197 D HN 0.272 nan 8.370 nan 0.000 0.518 198 F N 0.870 120.766 119.950 -0.091 0.000 2.373 198 F HA -0.092 4.436 4.527 0.002 0.000 0.300 198 F C 2.606 178.308 175.800 -0.163 0.000 1.080 198 F CA 1.188 59.161 58.000 -0.046 0.000 1.417 198 F CB -0.537 38.496 39.000 0.057 0.000 1.070 198 F HN 0.390 nan 8.300 nan 0.000 0.546 199 T N -3.443 111.006 114.554 -0.174 0.000 3.361 199 T HA -0.004 4.347 4.350 0.002 0.000 0.251 199 T C 0.601 175.079 174.700 -0.370 0.000 1.131 199 T CA 0.732 62.542 62.100 -0.483 0.000 1.001 199 T CB -0.404 67.962 68.868 -0.838 0.000 1.003 199 T HN 0.225 nan 8.240 nan 0.000 0.558 200 D N 0.198 120.466 120.400 -0.221 0.000 2.672 200 D HA 0.192 4.833 4.640 0.002 0.000 0.287 200 D C -0.064 176.150 176.300 -0.144 0.000 1.559 200 D CA -0.225 53.675 54.000 -0.165 0.000 0.796 200 D CB 0.967 41.678 40.800 -0.147 0.000 1.181 200 D HN 0.413 nan 8.370 nan 0.000 0.458 201 V N -2.489 117.348 119.914 -0.128 0.000 3.113 201 V HA 1.013 5.134 4.120 0.002 0.000 0.316 201 V C 0.760 176.811 176.094 -0.072 0.000 1.125 201 V CA -0.556 61.682 62.300 -0.103 0.000 1.026 201 V CB 1.440 33.204 31.823 -0.099 0.000 1.080 201 V HN -0.028 nan 8.190 nan 0.000 0.444 202 G N 0.095 108.848 108.800 -0.078 0.000 2.476 202 G HA2 0.374 4.335 3.960 0.002 0.000 0.286 202 G HA3 0.374 4.335 3.960 0.002 0.000 0.286 202 G C 0.132 174.976 174.900 -0.092 0.000 1.177 202 G CA 0.114 45.165 45.100 -0.082 0.000 0.870 202 G HN 1.325 nan 8.290 nan 0.000 0.528 203 Y N -0.088 120.148 120.300 -0.107 0.000 2.096 203 Y HA -0.292 4.259 4.550 0.002 0.000 0.278 203 Y C 2.621 178.495 175.900 -0.042 0.000 1.192 203 Y CA 2.487 60.479 58.100 -0.180 0.000 1.143 203 Y CB -1.499 36.932 38.460 -0.048 0.000 0.963 203 Y HN 0.454 nan 8.280 nan 0.000 0.505 204 T N -2.746 111.399 114.554 -0.682 0.000 2.803 204 T HA -0.185 4.166 4.350 0.002 0.000 0.269 204 T C 1.614 176.288 174.700 -0.043 0.000 1.052 204 T CA 1.825 63.736 62.100 -0.314 0.000 1.136 204 T CB -1.016 67.545 68.868 -0.512 0.000 0.864 204 T HN 0.538 nan 8.240 nan 0.000 0.467 205 T N 1.053 115.565 114.554 -0.070 0.000 2.937 205 T HA 0.192 4.543 4.350 0.002 0.000 0.260 205 T C 1.320 176.102 174.700 0.137 0.000 1.051 205 T CA 0.424 62.532 62.100 0.014 0.000 1.141 205 T CB -0.444 68.397 68.868 -0.044 0.000 0.879 205 T HN 0.415 nan 8.240 nan 0.000 0.459 206 F N 0.527 120.456 119.950 -0.035 0.000 2.095 206 F HA -0.116 4.413 4.527 0.002 0.000 0.298 206 F C 1.889 177.719 175.800 0.050 0.000 1.104 206 F CA 1.382 59.400 58.000 0.031 0.000 1.232 206 F CB -0.345 38.415 39.000 -0.401 0.000 0.987 206 F HN 0.248 nan 8.300 nan 0.000 0.475 207 W N 0.490 121.946 121.300 0.259 0.000 2.354 207 W HA -0.214 4.447 4.660 0.001 0.000 0.315 207 W C 2.987 179.527 176.519 0.034 0.000 1.206 207 W CA 1.081 58.499 57.345 0.121 0.000 1.290 207 W CB -0.839 28.730 29.460 0.183 0.000 1.152 207 W HN 0.128 nan 8.180 nan 0.000 0.489 208 S N -0.176 115.702 115.700 0.298 0.000 2.357 208 S HA -0.124 4.347 4.470 0.002 0.000 0.221 208 S C 1.285 175.966 174.600 0.134 0.000 1.031 208 S CA 0.846 59.152 58.200 0.177 0.000 0.982 208 S CB -0.665 62.611 63.200 0.127 0.000 0.853 208 S HN 0.132 nan 8.310 nan 0.000 0.458 209 E N 2.517 122.806 120.200 0.148 0.000 2.428 209 E HA 0.095 4.446 4.350 0.002 0.000 0.199 209 E C 0.327 177.059 176.600 0.220 0.000 1.172 209 E CA 0.243 56.749 56.400 0.177 0.000 0.941 209 E CB -0.371 29.441 29.700 0.185 0.000 1.001 209 E HN 0.708 nan 8.360 nan 0.000 0.501 210 S N -0.683 115.056 115.700 0.065 0.000 2.627 210 S HA 0.394 4.865 4.470 0.002 0.000 0.283 210 S C -0.380 174.156 174.600 -0.107 0.000 1.127 210 S CA -1.091 57.043 58.200 -0.110 0.000 0.863 210 S CB 1.809 64.769 63.200 -0.399 0.000 1.121 210 S HN 0.040 nan 8.310 nan 0.000 0.479 211 L N 2.043 123.134 121.223 -0.221 0.000 2.559 211 L HA 0.193 4.534 4.340 0.002 0.000 0.282 211 L C 1.773 178.628 176.870 -0.025 0.000 1.232 211 L CA 0.767 55.513 54.840 -0.156 0.000 0.885 211 L CB -0.308 41.589 42.059 -0.271 0.000 1.131 211 L HN 1.020 nan 8.230 nan 0.000 0.498 212 E N 3.064 123.294 120.200 0.051 0.000 2.171 212 E HA -0.277 4.074 4.350 0.002 0.000 0.197 212 E C 1.726 178.427 176.600 0.169 0.000 0.997 212 E CA 1.374 57.860 56.400 0.144 0.000 0.810 212 E CB 0.197 30.035 29.700 0.229 0.000 0.738 212 E HN 0.924 nan 8.360 nan 0.000 0.467 213 A N 0.403 123.317 122.820 0.156 0.000 1.883 213 A HA -0.175 4.146 4.320 0.002 0.000 0.217 213 A C 2.396 180.086 177.584 0.178 0.000 1.186 213 A CA 1.509 53.656 52.037 0.183 0.000 0.624 213 A CB -0.729 18.399 19.000 0.214 0.000 0.822 213 A HN 0.201 nan 8.150 nan 0.000 0.444 214 V N 0.516 120.522 119.914 0.153 0.000 2.380 214 V HA -0.313 3.808 4.120 0.002 0.000 0.251 214 V C 2.255 178.530 176.094 0.301 0.000 1.063 214 V CA 2.649 65.102 62.300 0.255 0.000 1.055 214 V CB -0.876 31.043 31.823 0.159 0.000 0.657 214 V HN 0.780 nan 8.190 nan 0.000 0.455 215 D N -0.314 120.176 120.400 0.150 0.000 2.144 215 D HA -0.066 4.575 4.640 0.002 0.000 0.207 215 D C 2.017 178.302 176.300 -0.026 0.000 0.970 215 D CA 0.956 54.909 54.000 -0.079 0.000 0.853 215 D CB -0.134 40.639 40.800 -0.045 0.000 1.007 215 D HN 0.351 nan 8.370 nan 0.000 0.469 216 I N 0.575 121.199 120.570 0.090 0.000 2.335 216 I HA -0.190 3.981 4.170 0.002 0.000 0.251 216 I C 2.116 178.306 176.117 0.122 0.000 1.129 216 I CA 0.878 62.250 61.300 0.119 0.000 1.402 216 I CB -0.121 38.016 38.000 0.228 0.000 1.069 216 I HN 0.141 nan 8.210 nan 0.000 0.424 217 E N 0.120 120.414 120.200 0.157 0.000 2.028 217 E HA -0.187 4.164 4.350 0.002 0.000 0.190 217 E C 2.117 178.775 176.600 0.097 0.000 0.984 217 E CA 1.382 57.861 56.400 0.133 0.000 0.800 217 E CB -0.336 29.444 29.700 0.132 0.000 0.758 217 E HN 0.535 nan 8.360 nan 0.000 0.448 218 H N 0.447 119.535 119.070 0.029 0.000 2.319 218 H HA 0.022 4.578 4.556 0.002 0.000 0.299 218 H C 2.256 177.640 175.328 0.094 0.000 1.092 218 H CA 1.717 57.782 56.048 0.029 0.000 1.302 218 H CB -0.014 29.733 29.762 -0.024 0.000 1.373 218 H HN 0.002 nan 8.280 nan 0.000 0.497 219 R N -0.014 120.528 120.500 0.071 0.000 2.105 219 R HA -0.134 4.207 4.340 0.002 0.000 0.239 219 R C 2.431 178.784 176.300 0.088 0.000 1.135 219 R CA 1.049 57.151 56.100 0.004 0.000 0.967 219 R CB -0.271 29.961 30.300 -0.113 0.000 0.861 219 R HN 0.337 nan 8.270 nan 0.000 0.442 220 A N 1.132 123.996 122.820 0.075 0.000 1.841 220 A HA -0.072 4.249 4.320 0.002 0.000 0.214 220 A C 2.388 180.047 177.584 0.124 0.000 1.195 220 A CA 1.500 53.571 52.037 0.056 0.000 0.611 220 A CB -0.827 18.204 19.000 0.052 0.000 0.835 220 A HN 0.378 nan 8.150 nan 0.000 0.443 221 A N -1.571 121.339 122.820 0.149 0.000 1.997 221 A HA -0.250 4.071 4.320 0.002 0.000 0.221 221 A C 2.082 179.859 177.584 0.321 0.000 1.172 221 A CA 1.659 53.800 52.037 0.174 0.000 0.645 221 A CB -0.849 18.182 19.000 0.051 0.000 0.813 221 A HN 0.874 nan 8.150 nan 0.000 0.454 222 W N 0.021 121.441 121.300 0.199 0.000 2.443 222 W HA -0.063 4.598 4.660 0.002 0.000 0.296 222 W C 1.719 178.198 176.519 -0.066 0.000 1.202 222 W CA 1.469 58.852 57.345 0.065 0.000 1.312 222 W CB -0.333 29.124 29.460 -0.005 0.000 1.120 222 W HN 0.371 nan 8.180 nan 0.000 0.536 223 L N 1.650 122.981 121.223 0.180 0.000 1.988 223 L HA -0.138 4.203 4.340 0.002 0.000 0.207 223 L C 2.382 179.217 176.870 -0.058 0.000 1.071 223 L CA 2.062 56.899 54.840 -0.005 0.000 0.744 223 L CB -1.428 40.584 42.059 -0.078 0.000 0.893 223 L HN -0.044 nan 8.230 nan 0.000 0.433 224 L N 0.039 121.273 121.223 0.017 0.000 2.187 224 L HA -0.190 4.151 4.340 0.002 0.000 0.213 224 L C 2.616 179.492 176.870 0.010 0.000 1.100 224 L CA 1.124 56.006 54.840 0.070 0.000 0.765 224 L CB -1.029 41.122 42.059 0.153 0.000 0.904 224 L HN 0.440 nan 8.230 nan 0.000 0.437 225 A N -0.055 122.734 122.820 -0.052 0.000 2.067 225 A HA -0.196 4.125 4.320 0.002 0.000 0.219 225 A C 2.316 179.774 177.584 -0.210 0.000 1.158 225 A CA 1.688 53.651 52.037 -0.123 0.000 0.661 225 A CB -0.254 18.634 19.000 -0.186 0.000 0.801 225 A HN 0.264 nan 8.150 nan 0.000 0.452 226 K N 0.191 120.434 120.400 -0.261 0.000 2.098 226 K HA -0.074 4.247 4.320 0.002 0.000 0.203 226 K C 2.139 178.581 176.600 -0.262 0.000 1.051 226 K CA 1.677 57.746 56.287 -0.363 0.000 0.957 226 K CB -0.479 31.721 32.500 -0.500 0.000 0.738 226 K HN 0.523 nan 8.250 nan 0.000 0.447 227 Q N 0.750 120.480 119.800 -0.117 0.000 2.030 227 Q HA -0.244 4.097 4.340 0.002 0.000 0.204 227 Q C 1.766 177.787 176.000 0.036 0.000 0.986 227 Q CA 2.109 57.919 55.803 0.011 0.000 0.843 227 Q CB -0.163 28.661 28.738 0.144 0.000 0.904 227 Q HN 0.474 nan 8.270 nan 0.000 0.420 228 E N 0.037 120.271 120.200 0.057 0.000 2.065 228 E HA -0.251 4.100 4.350 0.002 0.000 0.201 228 E C 2.225 178.924 176.600 0.166 0.000 1.016 228 E CA 1.474 57.947 56.400 0.122 0.000 0.818 228 E CB -0.112 29.627 29.700 0.065 0.000 0.749 228 E HN 0.296 nan 8.360 nan 0.000 0.453 229 R N 0.409 120.897 120.500 -0.019 0.000 2.120 229 R HA -0.121 4.220 4.340 0.002 0.000 0.234 229 R C 2.034 178.358 176.300 0.041 0.000 1.123 229 R CA 1.072 57.111 56.100 -0.102 0.000 0.975 229 R CB -0.051 30.136 30.300 -0.189 0.000 0.866 229 R HN 0.144 nan 8.270 nan 0.000 0.446 230 N N -0.511 118.171 118.700 -0.030 0.000 2.004 230 N HA -0.059 4.682 4.740 0.002 0.000 0.196 230 N C 0.997 176.722 175.510 0.359 0.000 1.064 230 N CA 1.723 54.670 53.050 -0.171 0.000 0.855 230 N CB -0.343 37.852 38.487 -0.487 0.000 1.056 230 N HN 0.365 nan 8.380 nan 0.000 0.423 231 G N -1.087 107.864 108.800 0.251 0.000 2.384 231 G HA2 0.017 3.978 3.960 0.002 0.000 0.668 231 G HA3 0.017 3.978 3.960 0.002 0.000 0.668 231 G C -1.729 173.282 174.900 0.184 0.000 1.280 231 G CA -0.651 44.485 45.100 0.059 0.000 0.992 231 G HN 0.204 nan 8.290 nan 0.000 0.512 232 F N 1.553 121.507 119.950 0.006 0.000 2.659 232 F HA 0.621 5.149 4.527 0.001 0.000 0.342 232 F C -2.248 173.565 175.800 0.022 0.000 1.168 232 F CA -2.433 55.626 58.000 0.099 0.000 1.003 232 F CB 2.366 41.467 39.000 0.168 0.000 1.267 232 F HN 0.233 nan 8.300 nan 0.000 0.463 233 P HA -0.025 nan 4.420 nan 0.000 0.258 233 P C -1.084 176.287 177.300 0.119 0.000 1.187 233 P CA 0.737 63.902 63.100 0.108 0.000 0.767 233 P CB -0.058 31.681 31.700 0.066 0.000 0.770 234 F N 3.344 123.138 119.950 -0.260 0.000 2.482 234 F HA 0.316 4.844 4.527 0.001 0.000 0.331 234 F C 0.293 175.785 175.800 -0.514 0.000 1.115 234 F CA -0.962 56.684 58.000 -0.590 0.000 0.955 234 F CB 1.282 39.908 39.000 -0.624 0.000 1.136 234 F HN 0.092 nan 8.300 nan 0.000 0.452 235 D N 4.776 124.304 120.400 -1.453 0.000 2.545 235 D HA 0.065 4.706 4.640 0.002 0.000 0.227 235 D C 1.218 176.883 176.300 -1.058 0.000 1.150 235 D CA 0.318 53.680 54.000 -1.064 0.000 1.046 235 D CB 0.497 40.739 40.800 -0.929 0.000 1.098 235 D HN 0.721 nan 8.370 nan 0.000 0.502 236 T N 1.509 115.644 114.554 -0.699 0.000 2.620 236 T HA -0.326 4.025 4.350 0.002 0.000 0.267 236 T C 2.167 176.741 174.700 -0.210 0.000 1.044 236 T CA 2.820 64.740 62.100 -0.301 0.000 1.161 236 T CB -0.299 68.566 68.868 -0.005 0.000 0.862 236 T HN 0.565 nan 8.240 nan 0.000 0.438 237 K N 1.460 121.762 120.400 -0.163 0.000 1.987 237 K HA 0.044 4.365 4.320 0.002 0.000 0.216 237 K C 2.627 179.178 176.600 -0.082 0.000 1.051 237 K CA 2.113 58.351 56.287 -0.082 0.000 0.942 237 K CB -1.583 30.883 32.500 -0.057 0.000 0.722 237 K HN 0.517 nan 8.250 nan 0.000 0.444 238 A N 0.561 123.298 122.820 -0.138 0.000 1.997 238 A HA -0.088 4.233 4.320 0.002 0.000 0.221 238 A C 2.297 179.857 177.584 -0.039 0.000 1.172 238 A CA 1.926 53.910 52.037 -0.088 0.000 0.645 238 A CB -0.349 18.578 19.000 -0.122 0.000 0.813 238 A HN 0.525 nan 8.150 nan 0.000 0.454 239 I N -0.706 119.810 120.570 -0.091 0.000 2.703 239 I HA -0.082 4.089 4.170 0.002 0.000 0.259 239 I C 2.111 178.341 176.117 0.188 0.000 1.151 239 I CA 1.025 62.386 61.300 0.103 0.000 1.470 239 I CB -1.442 36.691 38.000 0.221 0.000 1.112 239 I HN 0.441 nan 8.210 nan 0.000 0.437 240 E N 0.745 121.024 120.200 0.133 0.000 2.204 240 E HA -0.219 4.132 4.350 0.002 0.000 0.194 240 E C 1.917 178.609 176.600 0.154 0.000 0.989 240 E CA 0.825 57.336 56.400 0.185 0.000 0.824 240 E CB 0.048 29.823 29.700 0.124 0.000 0.756 240 E HN 0.451 nan 8.360 nan 0.000 0.477 241 E N 0.309 120.567 120.200 0.097 0.000 2.072 241 E HA -0.176 4.175 4.350 0.002 0.000 0.191 241 E C 1.912 178.573 176.600 0.101 0.000 0.985 241 E CA 0.516 56.959 56.400 0.072 0.000 0.801 241 E CB 0.087 29.814 29.700 0.045 0.000 0.750 241 E HN 0.081 nan 8.360 nan 0.000 0.452 242 L N 0.165 121.477 121.223 0.149 0.000 2.056 242 L HA -0.151 4.190 4.340 0.002 0.000 0.207 242 L C 2.057 179.056 176.870 0.214 0.000 1.078 242 L CA 1.630 56.585 54.840 0.192 0.000 0.749 242 L CB -0.782 41.423 42.059 0.243 0.000 0.901 242 L HN 0.235 nan 8.230 nan 0.000 0.433 243 Y N -0.544 119.806 120.300 0.084 0.000 2.384 243 Y HA -0.155 4.396 4.550 0.001 0.000 0.289 243 Y C 2.135 178.053 175.900 0.029 0.000 1.152 243 Y CA 1.545 59.674 58.100 0.048 0.000 1.258 243 Y CB -0.475 38.019 38.460 0.056 0.000 0.979 243 Y HN 0.064 nan 8.280 nan 0.000 0.549 244 V N -0.000 119.860 119.914 -0.089 0.000 2.725 244 V HA -0.146 3.975 4.120 0.002 0.000 0.247 244 V C 2.281 178.319 176.094 -0.093 0.000 1.058 244 V CA 1.614 63.796 62.300 -0.198 0.000 1.080 244 V CB -0.303 31.455 31.823 -0.109 0.000 0.713 244 V HN 0.371 nan 8.190 nan 0.000 0.465 245 E N 0.335 120.536 120.200 0.002 0.000 2.106 245 E HA -0.164 4.187 4.350 0.002 0.000 0.192 245 E C 2.123 178.750 176.600 0.045 0.000 0.984 245 E CA 1.135 57.562 56.400 0.044 0.000 0.806 245 E CB 0.033 29.798 29.700 0.108 0.000 0.750 245 E HN 0.567 nan 8.360 nan 0.000 0.458 246 L N 0.329 121.574 121.223 0.036 0.000 2.084 246 L HA 0.023 4.364 4.340 0.002 0.000 0.202 246 L C 2.727 179.563 176.870 -0.056 0.000 1.074 246 L CA 0.847 55.679 54.840 -0.014 0.000 0.757 246 L CB -0.507 41.532 42.059 -0.033 0.000 0.918 246 L HN 0.128 nan 8.230 nan 0.000 0.444 247 A N 0.221 122.985 122.820 -0.094 0.000 2.042 247 A HA -0.268 4.052 4.320 0.002 0.000 0.222 247 A C 2.399 179.926 177.584 -0.095 0.000 1.167 247 A CA 2.130 54.084 52.037 -0.138 0.000 0.649 247 A CB -0.668 18.099 19.000 -0.389 0.000 0.809 247 A HN 0.470 nan 8.150 nan 0.000 0.457 248 A N -0.474 122.300 122.820 -0.077 0.000 1.850 248 A HA 0.049 4.370 4.320 0.002 0.000 0.212 248 A C 2.103 179.683 177.584 -0.008 0.000 1.208 248 A CA 1.615 53.630 52.037 -0.037 0.000 0.609 248 A CB -0.457 18.526 19.000 -0.028 0.000 0.860 248 A HN 0.417 nan 8.150 nan 0.000 0.448 249 R N 0.616 121.117 120.500 0.001 0.000 2.170 249 R HA -0.138 4.203 4.340 0.002 0.000 0.242 249 R C 2.069 178.370 176.300 0.002 0.000 1.145 249 R CA 2.029 58.141 56.100 0.020 0.000 0.984 249 R CB -0.791 29.536 30.300 0.044 0.000 0.869 249 R HN 0.599 nan 8.270 nan 0.000 0.455 250 R N -0.687 119.784 120.500 -0.049 0.000 2.064 250 R HA -0.054 4.287 4.340 0.002 0.000 0.228 250 R C 2.226 178.564 176.300 0.064 0.000 1.144 250 R CA 1.848 57.896 56.100 -0.088 0.000 0.932 250 R CB -0.874 29.334 30.300 -0.152 0.000 0.833 250 R HN 0.263 nan 8.270 nan 0.000 0.429 251 S N -0.248 115.478 115.700 0.043 0.000 2.400 251 S HA -0.290 4.181 4.470 0.002 0.000 0.234 251 S C 2.022 176.674 174.600 0.088 0.000 1.049 251 S CA 2.117 60.358 58.200 0.067 0.000 1.039 251 S CB -0.336 62.880 63.200 0.028 0.000 0.856 251 S HN 0.663 nan 8.310 nan 0.000 0.465 252 E N 1.110 121.358 120.200 0.079 0.000 2.011 252 E HA 0.084 4.435 4.350 0.002 0.000 0.191 252 E C 2.051 178.725 176.600 0.122 0.000 0.979 252 E CA 1.137 57.586 56.400 0.081 0.000 0.822 252 E CB -1.346 28.392 29.700 0.063 0.000 0.782 252 E HN 0.584 nan 8.360 nan 0.000 0.459 253 L N -0.394 120.922 121.223 0.154 0.000 2.151 253 L HA -0.270 4.071 4.340 0.002 0.000 0.219 253 L C 2.849 179.866 176.870 0.244 0.000 1.083 253 L CA 1.719 56.692 54.840 0.222 0.000 0.782 253 L CB -0.567 41.692 42.059 0.334 0.000 0.891 253 L HN 0.465 nan 8.230 nan 0.000 0.439 254 L N 0.075 121.470 121.223 0.286 0.000 1.937 254 L HA -0.238 4.103 4.340 0.002 0.000 0.213 254 L C 2.764 179.716 176.870 0.137 0.000 1.077 254 L CA 1.954 56.916 54.840 0.202 0.000 0.758 254 L CB -0.789 41.408 42.059 0.229 0.000 0.888 254 L HN 0.146 nan 8.230 nan 0.000 0.433 255 R N -0.121 120.448 120.500 0.116 0.000 2.136 255 R HA -0.300 4.041 4.340 0.002 0.000 0.242 255 R C 2.299 178.643 176.300 0.075 0.000 1.131 255 R CA 3.100 59.251 56.100 0.085 0.000 0.937 255 R CB -0.636 29.704 30.300 0.065 0.000 0.863 255 R HN 0.451 nan 8.270 nan 0.000 0.435 256 K N 0.742 121.184 120.400 0.070 0.000 2.228 256 K HA -0.162 4.159 4.320 0.002 0.000 0.205 256 K C 2.118 178.737 176.600 0.031 0.000 1.045 256 K CA 2.002 58.316 56.287 0.044 0.000 0.931 256 K CB -0.700 31.829 32.500 0.049 0.000 0.727 256 K HN 0.377 nan 8.250 nan 0.000 0.458 257 L N 0.173 121.447 121.223 0.084 0.000 2.121 257 L HA -0.075 4.266 4.340 0.002 0.000 0.200 257 L C 2.969 179.928 176.870 0.148 0.000 1.077 257 L CA 1.431 56.342 54.840 0.118 0.000 0.766 257 L CB -0.461 41.754 42.059 0.259 0.000 0.931 257 L HN 0.501 nan 8.230 nan 0.000 0.452 258 T N -1.668 113.014 114.554 0.214 0.000 2.836 258 T HA -0.308 4.043 4.350 0.002 0.000 0.268 258 T C 1.497 176.269 174.700 0.120 0.000 1.080 258 T CA 1.747 63.979 62.100 0.221 0.000 1.128 258 T CB -0.377 68.589 68.868 0.164 0.000 0.839 258 T HN 0.412 nan 8.240 nan 0.000 0.507 259 E N 1.061 121.293 120.200 0.053 0.000 2.028 259 E HA -0.129 4.222 4.350 0.002 0.000 0.190 259 E C 2.122 178.684 176.600 -0.064 0.000 0.984 259 E CA 1.376 57.778 56.400 0.004 0.000 0.800 259 E CB -0.246 29.447 29.700 -0.011 0.000 0.758 259 E HN 0.474 nan 8.360 nan 0.000 0.448 260 T N 0.264 114.716 114.554 -0.170 0.000 2.881 260 T HA -0.105 4.246 4.350 0.002 0.000 0.270 260 T C 0.025 174.409 174.700 -0.527 0.000 1.068 260 T CA 0.862 62.718 62.100 -0.407 0.000 1.131 260 T CB -0.148 68.333 68.868 -0.645 0.000 0.871 260 T HN 0.029 nan 8.240 nan 0.000 0.479 261 F N 1.535 121.381 119.950 -0.174 0.000 2.552 261 F HA 0.557 5.085 4.527 0.002 0.000 0.369 261 F C 0.921 176.690 175.800 -0.051 0.000 1.112 261 F CA -1.979 55.860 58.000 -0.269 0.000 1.129 261 F CB 0.347 38.853 39.000 -0.822 0.000 1.360 261 F HN -0.022 nan 8.300 nan 0.000 0.473 262 G N 1.171 110.083 108.800 0.186 0.000 2.699 262 G HA2 0.324 4.285 3.960 0.002 0.000 0.246 262 G HA3 0.324 4.285 3.960 0.002 0.000 0.246 262 G C 0.486 175.555 174.900 0.283 0.000 1.219 262 G CA -0.141 45.072 45.100 0.189 0.000 0.866 262 G HN 0.634 nan 8.290 nan 0.000 0.572 263 S N -0.705 115.090 115.700 0.158 0.000 2.618 263 S HA 0.593 5.064 4.470 0.002 0.000 0.254 263 S C -0.293 174.417 174.600 0.183 0.000 1.284 263 S CA 0.707 58.877 58.200 -0.051 0.000 0.975 263 S CB 0.281 63.244 63.200 -0.396 0.000 1.022 263 S HN 1.708 nan 8.310 nan 0.000 0.571 264 W N -3.688 117.387 121.300 -0.375 0.000 3.079 264 W HA 0.599 5.260 4.660 0.002 0.000 0.329 264 W C -2.608 173.702 176.519 -0.348 0.000 1.181 264 W CA -1.387 55.824 57.345 -0.222 0.000 1.160 264 W CB -0.119 29.273 29.460 -0.114 0.000 1.423 264 W HN 0.575 nan 8.180 nan 0.000 0.566 265 Y N 2.203 122.640 120.300 0.228 0.000 2.387 265 Y HA 0.578 5.129 4.550 0.002 0.000 0.330 265 Y C 0.515 176.550 175.900 0.224 0.000 1.133 265 Y CA -0.530 57.646 58.100 0.128 0.000 1.152 265 Y CB 1.991 40.535 38.460 0.141 0.000 1.215 265 Y HN 0.412 nan 8.280 nan 0.000 0.466 266 Q N 4.285 124.247 119.800 0.271 0.000 2.331 266 Q HA 0.358 4.699 4.340 0.002 0.000 0.272 266 Q C -2.758 173.346 176.000 0.172 0.000 1.062 266 Q CA -2.449 53.492 55.803 0.229 0.000 0.806 266 Q CB 2.781 31.634 28.738 0.192 0.000 1.312 266 Q HN 0.333 nan 8.270 nan 0.000 0.431 267 P HA 0.182 nan 4.420 nan 0.000 0.271 267 P C -1.252 176.088 177.300 0.067 0.000 1.220 267 P CA 0.065 63.219 63.100 0.090 0.000 0.768 267 P CB 0.507 32.245 31.700 0.064 0.000 0.848 268 K N 0.909 121.339 120.400 0.050 0.000 2.635 268 K HA 0.580 4.901 4.320 0.002 0.000 0.266 268 K C 0.291 176.899 176.600 0.013 0.000 1.033 268 K CA -0.122 56.185 56.287 0.034 0.000 0.919 268 K CB 0.649 33.175 32.500 0.044 0.000 1.289 268 K HN 0.710 nan 8.250 nan 0.000 0.463 269 G N 0.254 109.050 108.800 -0.008 0.000 2.296 269 G HA2 0.135 4.096 3.960 0.002 0.000 0.188 269 G HA3 0.135 4.096 3.960 0.002 0.000 0.188 269 G C 0.830 175.694 174.900 -0.061 0.000 1.000 269 G CA 0.444 45.529 45.100 -0.025 0.000 0.672 269 G HN 1.798 nan 8.290 nan 0.000 0.483 270 G N 0.654 109.408 108.800 -0.076 0.000 2.340 270 G HA2 0.460 4.421 3.960 0.002 0.000 0.245 270 G HA3 0.460 4.421 3.960 0.002 0.000 0.245 270 G C 0.936 175.793 174.900 -0.073 0.000 1.294 270 G CA 1.238 46.274 45.100 -0.106 0.000 0.896 270 G HN 0.496 nan 8.290 nan 0.000 0.522 271 T N 2.463 116.968 114.554 -0.081 0.000 2.914 271 T HA 0.071 4.422 4.350 0.002 0.000 0.240 271 T C 1.090 175.765 174.700 -0.043 0.000 1.025 271 T CA 0.520 62.588 62.100 -0.054 0.000 1.198 271 T CB -0.118 68.718 68.868 -0.053 0.000 0.892 271 T HN 0.585 nan 8.240 nan 0.000 0.417 272 E N 0.583 120.755 120.200 -0.047 0.000 2.585 272 E HA 0.543 4.894 4.350 0.002 0.000 0.256 272 E C -0.066 176.516 176.600 -0.029 0.000 1.383 272 E CA -0.115 56.266 56.400 -0.032 0.000 1.029 272 E CB 0.136 29.819 29.700 -0.029 0.000 1.044 272 E HN 0.450 nan 8.360 nan 0.000 0.595 273 M N 0.022 119.612 119.600 -0.017 0.000 2.311 273 M HA 0.589 5.070 4.480 0.002 0.000 0.325 273 M C -0.183 176.113 176.300 -0.006 0.000 1.061 273 M CA -0.747 54.547 55.300 -0.011 0.000 0.957 273 M CB -0.040 32.559 32.600 -0.002 0.000 1.646 273 M HN 0.546 nan 8.290 nan 0.000 0.434 274 F N 0.904 120.850 119.950 -0.007 0.000 2.602 274 F HA 0.449 4.977 4.527 0.002 0.000 0.385 274 F C 0.378 176.185 175.800 0.011 0.000 1.063 274 F CA -0.624 57.374 58.000 -0.003 0.000 1.233 274 F CB -1.385 37.610 39.000 -0.007 0.000 1.067 274 F HN 1.129 nan 8.300 nan 0.000 0.564 275 C N 3.757 123.067 119.300 0.016 0.000 2.322 275 C HA 0.499 4.960 4.460 0.002 0.000 0.324 275 C C 0.398 175.423 174.990 0.058 0.000 1.284 275 C CA -1.137 57.907 59.018 0.042 0.000 1.606 275 C CB -0.346 27.416 27.740 0.038 0.000 2.251 275 C HN 1.066 nan 8.230 nan 0.000 0.502 276 H N 3.327 122.400 119.070 0.006 0.000 3.177 276 H HA -0.016 4.541 4.556 0.002 0.000 0.313 276 H C -1.505 173.828 175.328 0.008 0.000 0.983 276 H CA 0.351 56.403 56.048 0.007 0.000 1.358 276 H CB 0.677 30.442 29.762 0.005 0.000 1.294 276 H HN 0.476 nan 8.280 nan 0.000 0.587 277 P HA -0.232 nan 4.420 nan 0.000 0.216 277 P C 1.351 178.725 177.300 0.123 0.000 1.150 277 P CA 2.847 65.944 63.100 -0.004 0.000 0.843 277 P CB 0.207 31.856 31.700 -0.084 0.000 0.787 278 R N -1.040 119.646 120.500 0.311 0.000 1.950 278 R HA 0.139 4.480 4.340 0.002 0.000 0.200 278 R C 2.221 178.596 176.300 0.125 0.000 1.476 278 R CA 1.664 57.876 56.100 0.186 0.000 1.145 278 R CB -1.903 28.492 30.300 0.158 0.000 0.942 278 R HN 0.022 nan 8.270 nan 0.000 0.484 279 T N -0.526 114.064 114.554 0.059 0.000 2.140 279 T HA 0.039 4.390 4.350 0.002 0.000 0.191 279 T C 1.548 176.276 174.700 0.046 0.000 1.738 279 T CA 3.183 65.271 62.100 -0.021 0.000 1.187 279 T CB -0.854 67.912 68.868 -0.170 0.000 0.864 279 T HN 1.624 nan 8.240 nan 0.000 0.385 280 G N 0.126 108.977 108.800 0.085 0.000 2.456 280 G HA2 -0.076 3.885 3.960 0.002 0.000 0.208 280 G HA3 -0.076 3.885 3.960 0.002 0.000 0.208 280 G C -0.059 174.873 174.900 0.052 0.000 1.004 280 G CA 0.079 45.219 45.100 0.067 0.000 0.791 280 G HN 0.612 nan 8.290 nan 0.000 0.537 281 K N 1.197 121.631 120.400 0.058 0.000 2.451 281 K HA 0.340 4.661 4.320 0.002 0.000 0.280 281 K C -2.088 174.539 176.600 0.045 0.000 1.020 281 K CA -1.270 55.041 56.287 0.039 0.000 1.008 281 K CB 0.780 33.298 32.500 0.031 0.000 0.917 281 K HN -0.088 nan 8.250 nan 0.000 0.478 282 P HA 0.055 nan 4.420 nan 0.000 0.225 282 P C -1.044 176.269 177.300 0.022 0.000 1.768 282 P CA -0.145 62.968 63.100 0.022 0.000 0.943 282 P CB -0.157 31.550 31.700 0.013 0.000 1.936 283 L N 1.931 123.174 121.223 0.033 0.000 2.810 283 L HA -0.086 4.255 4.340 0.002 0.000 0.279 283 L C -0.530 176.351 176.870 0.019 0.000 1.144 283 L CA -0.266 54.593 54.840 0.031 0.000 0.998 283 L CB -0.849 41.236 42.059 0.044 0.000 1.342 283 L HN 0.215 nan 8.230 nan 0.000 0.473 284 P HA -0.192 nan 4.420 nan 0.000 0.215 284 P C 1.664 178.971 177.300 0.012 0.000 1.157 284 P CA 1.663 64.770 63.100 0.011 0.000 0.856 284 P CB 0.190 31.896 31.700 0.010 0.000 0.786 285 K N -0.034 120.374 120.400 0.014 0.000 2.144 285 K HA -0.193 4.128 4.320 0.002 0.000 0.209 285 K C 1.724 178.333 176.600 0.015 0.000 1.047 285 K CA 1.972 58.267 56.287 0.014 0.000 0.927 285 K CB -2.311 30.198 32.500 0.015 0.000 0.716 285 K HN 0.507 nan 8.250 nan 0.000 0.454 286 Y N 0.993 121.301 120.300 0.014 0.000 2.377 286 Y HA 0.472 5.023 4.550 0.002 0.000 0.330 286 Y C -1.961 173.943 175.900 0.008 0.000 1.108 286 Y CA -3.012 55.095 58.100 0.011 0.000 1.308 286 Y CB -0.478 37.987 38.460 0.008 0.000 1.216 286 Y HN 0.253 nan 8.280 nan 0.000 0.518 287 P HA 0.273 nan 4.420 nan 0.000 0.262 287 P C 0.275 177.568 177.300 -0.012 0.000 1.182 287 P CA 0.686 63.790 63.100 0.006 0.000 0.761 287 P CB 0.326 32.036 31.700 0.016 0.000 0.795 288 R N 3.079 123.568 120.500 -0.018 0.000 2.638 288 R HA 0.248 4.588 4.340 0.002 0.000 0.268 288 R C 0.533 176.788 176.300 -0.074 0.000 1.006 288 R CA 0.495 56.572 56.100 -0.038 0.000 1.088 288 R CB -1.216 29.062 30.300 -0.036 0.000 0.950 288 R HN 0.657 nan 8.270 nan 0.000 0.419 289 I N -2.636 117.877 120.570 -0.094 0.000 3.540 289 I HA 0.942 5.113 4.170 0.002 0.000 0.288 289 I C 0.303 176.294 176.117 -0.211 0.000 1.169 289 I CA -1.249 59.951 61.300 -0.168 0.000 1.038 289 I CB 1.972 39.904 38.000 -0.114 0.000 1.338 289 I HN 0.729 nan 8.210 nan 0.000 0.507 290 K N 0.480 120.689 120.400 -0.318 0.000 2.668 290 K HA 0.690 5.011 4.320 0.002 0.000 0.246 290 K C -0.798 175.743 176.600 -0.099 0.000 0.976 290 K CA -0.525 55.609 56.287 -0.255 0.000 0.902 290 K CB 0.328 32.593 32.500 -0.392 0.000 1.172 290 K HN 0.723 nan 8.250 nan 0.000 0.452 291 T N 5.837 120.373 114.554 -0.029 0.000 2.762 291 T HA 0.519 4.870 4.350 0.002 0.000 0.303 291 T C -1.825 172.884 174.700 0.015 0.000 0.977 291 T CA -0.966 61.153 62.100 0.032 0.000 0.961 291 T CB 0.944 69.827 68.868 0.024 0.000 0.944 291 T HN 0.675 nan 8.240 nan 0.000 0.481 317 T N 2.061 116.597 114.554 -0.030 0.000 3.658 317 T HA 0.231 4.582 4.350 0.002 0.000 0.250 317 T C 1.101 175.766 174.700 -0.059 0.000 1.060 317 T CA 0.513 62.587 62.100 -0.044 0.000 0.962 317 T CB -0.893 67.954 68.868 -0.036 0.000 1.075 317 T HN 0.468 nan 8.240 nan 0.000 0.610 318 R N 1.301 121.769 120.500 -0.053 0.000 2.570 318 R HA 0.133 4.473 4.340 0.002 0.000 0.277 318 R C 1.232 177.442 176.300 -0.150 0.000 1.039 318 R CA -0.043 56.022 56.100 -0.059 0.000 1.065 318 R CB -0.220 30.066 30.300 -0.023 0.000 0.964 318 R HN 0.222 nan 8.270 nan 0.000 0.428 319 E N 0.420 120.480 120.200 -0.234 0.000 2.158 319 E HA 0.018 4.369 4.350 0.002 0.000 0.191 319 E C -0.351 175.686 176.600 -0.939 0.000 0.982 319 E CA 1.212 57.234 56.400 -0.630 0.000 0.823 319 E CB 0.071 29.291 29.700 -0.799 0.000 0.766 319 E HN 0.738 nan 8.360 nan 0.000 0.468 320 Y N -2.114 118.117 120.300 -0.116 0.000 2.833 320 Y HA 0.541 5.092 4.550 0.002 0.000 0.319 320 Y C 0.022 175.882 175.900 -0.066 0.000 1.254 320 Y CA -1.151 56.871 58.100 -0.129 0.000 1.138 320 Y CB 1.200 39.578 38.460 -0.136 0.000 1.352 320 Y HN -0.433 nan 8.280 nan 0.000 0.546 321 V N -0.416 119.584 119.914 0.144 0.000 3.188 321 V HA 0.828 4.949 4.120 0.002 0.000 0.305 321 V C -0.624 175.518 176.094 0.079 0.000 1.232 321 V CA -1.094 61.253 62.300 0.079 0.000 1.043 321 V CB 1.797 33.643 31.823 0.038 0.000 1.068 321 V HN 0.956 nan 8.190 nan 0.000 0.439 325 P HA 0.528 nan 4.420 nan 0.000 0.271 325 P C -0.867 176.595 177.300 0.269 0.000 1.244 325 P CA 0.260 63.453 63.100 0.155 0.000 0.793 325 P CB 0.332 32.073 31.700 0.068 0.000 0.984 326 Y N -3.780 116.538 120.300 0.031 0.000 2.393 326 Y HA 0.339 4.890 4.550 0.002 0.000 0.320 326 Y C -1.342 174.579 175.900 0.035 0.000 1.241 326 Y CA -0.896 57.231 58.100 0.045 0.000 1.122 326 Y CB -0.155 38.362 38.460 0.096 0.000 1.322 326 Y HN 0.193 nan 8.280 nan 0.000 0.441 327 T N 6.269 120.801 114.554 -0.038 0.000 2.761 327 T HA 0.399 4.750 4.350 0.002 0.000 0.296 327 T C -2.683 171.951 174.700 -0.110 0.000 0.934 327 T CA -1.020 61.003 62.100 -0.127 0.000 1.091 327 T CB 0.657 69.513 68.868 -0.019 0.000 0.896 327 T HN 0.402 nan 8.240 nan 0.000 0.515 328 P HA 0.367 nan 4.420 nan 0.000 0.287 328 P C -0.551 176.772 177.300 0.039 0.000 1.281 328 P CA -0.526 62.537 63.100 -0.061 0.000 0.781 328 P CB 0.735 32.347 31.700 -0.147 0.000 0.903 329 V N -0.772 119.214 119.914 0.120 0.000 3.113 329 V HA 1.001 5.122 4.120 0.002 0.000 0.316 329 V C -0.344 175.892 176.094 0.236 0.000 1.125 329 V CA -1.187 61.217 62.300 0.173 0.000 1.026 329 V CB 1.371 33.324 31.823 0.217 0.000 1.080 329 V HN 0.453 nan 8.190 nan 0.000 0.444 330 E N 0.159 120.503 120.200 0.239 0.000 2.256 330 E HA 0.484 4.835 4.350 0.002 0.000 0.267 330 E C -1.014 175.615 176.600 0.049 0.000 0.892 330 E CA -0.931 55.565 56.400 0.160 0.000 0.775 330 E CB 1.535 31.265 29.700 0.049 0.000 1.207 330 E HN 1.097 nan 8.360 nan 0.000 0.420 331 H N 1.310 120.262 119.070 -0.197 0.000 2.604 331 H HA 0.537 5.094 4.556 0.002 0.000 0.306 331 H C -1.215 173.827 175.328 -0.477 0.000 1.075 331 H CA -0.227 55.442 56.048 -0.631 0.000 1.357 331 H CB 1.107 30.572 29.762 -0.494 0.000 1.426 331 H HN 0.368 nan 8.280 nan 0.000 0.470 332 V N 7.506 126.787 119.914 -1.056 0.000 2.407 332 V HA 0.209 4.330 4.120 0.002 0.000 0.291 332 V C -0.768 174.626 176.094 -1.167 0.000 1.018 332 V CA -0.625 61.104 62.300 -0.952 0.000 0.842 332 V CB 1.403 32.690 31.823 -0.895 0.000 0.996 332 V HN 0.540 nan 8.190 nan 0.000 0.426 333 V N 7.716 127.229 119.914 -0.668 0.000 2.555 333 V HA 0.219 4.340 4.120 0.002 0.000 0.286 333 V C 0.368 176.281 176.094 -0.301 0.000 1.044 333 V CA -0.345 61.709 62.300 -0.411 0.000 1.026 333 V CB 0.999 32.729 31.823 -0.154 0.000 0.981 333 V HN 0.809 nan 8.190 nan 0.000 0.480 334 F N 5.529 125.340 119.950 -0.232 0.000 2.623 334 F HA 0.021 4.549 4.527 0.002 0.000 0.386 334 F C 0.597 176.473 175.800 0.125 0.000 1.068 334 F CA 0.486 58.526 58.000 0.067 0.000 1.265 334 F CB 0.086 39.229 39.000 0.238 0.000 1.026 334 F HN 0.611 nan 8.300 nan 0.000 0.568 335 N N 8.067 126.524 118.700 -0.406 0.000 2.626 335 N HA 0.346 5.086 4.740 0.002 0.000 0.249 335 N C -2.245 172.759 175.510 -0.843 0.000 1.021 335 N CA -2.363 50.400 53.050 -0.478 0.000 0.886 335 N CB 1.583 39.920 38.487 -0.251 0.000 1.149 335 N HN 0.190 nan 8.380 nan 0.000 0.517 336 P HA -0.104 nan 4.420 nan 0.000 0.218 336 P C 0.964 178.024 177.300 -0.400 0.000 1.146 336 P CA 1.138 63.760 63.100 -0.797 0.000 0.820 336 P CB 0.495 31.395 31.700 -1.333 0.000 0.778 337 S N -1.378 114.167 115.700 -0.258 0.000 2.414 337 S HA -0.034 4.437 4.470 0.002 0.000 0.227 337 S C 1.089 175.595 174.600 -0.156 0.000 1.022 337 S CA 0.336 58.496 58.200 -0.066 0.000 0.958 337 S CB -0.645 62.561 63.200 0.011 0.000 0.797 337 S HN 0.147 nan 8.310 nan 0.000 0.493 338 S N 1.546 117.069 115.700 -0.294 0.000 2.457 338 S HA 0.264 4.735 4.470 0.002 0.000 0.294 338 S C 1.241 175.716 174.600 -0.209 0.000 1.201 338 S CA -0.042 57.949 58.200 -0.349 0.000 1.112 338 S CB 0.794 63.512 63.200 -0.804 0.000 1.018 338 S HN 0.474 nan 8.310 nan 0.000 0.511 339 R N 3.058 123.488 120.500 -0.115 0.000 2.237 339 R HA 0.041 4.382 4.340 0.002 0.000 0.219 339 R C 1.866 178.164 176.300 -0.002 0.000 1.080 339 R CA 2.091 58.165 56.100 -0.043 0.000 0.995 339 R CB -2.124 28.162 30.300 -0.023 0.000 0.875 339 R HN 0.941 nan 8.270 nan 0.000 0.462 340 D N -0.433 119.955 120.400 -0.020 0.000 2.084 340 D HA -0.153 4.488 4.640 0.002 0.000 0.199 340 D C 1.895 178.305 176.300 0.184 0.000 0.981 340 D CA 1.151 55.193 54.000 0.069 0.000 0.841 340 D CB -0.696 40.149 40.800 0.075 0.000 0.997 340 D HN 0.854 nan 8.370 nan 0.000 0.454 341 H N 0.162 119.288 119.070 0.093 0.000 2.321 341 H HA -0.087 4.470 4.556 0.002 0.000 0.295 341 H C 2.549 177.971 175.328 0.155 0.000 1.102 341 H CA 1.144 57.308 56.048 0.193 0.000 1.266 341 H CB -0.126 29.768 29.762 0.220 0.000 1.363 341 H HN 0.351 nan 8.280 nan 0.000 0.492 342 I N 0.977 121.688 120.570 0.235 0.000 2.248 342 I HA -0.320 3.851 4.170 0.002 0.000 0.248 342 I C 2.819 178.957 176.117 0.035 0.000 1.107 342 I CA 1.334 62.711 61.300 0.127 0.000 1.373 342 I CB -0.386 37.644 38.000 0.050 0.000 1.055 342 I HN 0.402 nan 8.210 nan 0.000 0.418 343 Q N 2.231 122.088 119.800 0.095 0.000 2.083 343 Q HA -0.207 4.134 4.340 0.002 0.000 0.198 343 Q C 1.975 178.040 176.000 0.107 0.000 0.969 343 Q CA 1.576 57.491 55.803 0.185 0.000 0.838 343 Q CB -0.071 28.763 28.738 0.159 0.000 0.900 343 Q HN 0.512 nan 8.270 nan 0.000 0.436 344 K N 0.536 120.941 120.400 0.008 0.000 1.969 344 K HA -0.159 4.162 4.320 0.002 0.000 0.220 344 K C 2.126 178.603 176.600 -0.205 0.000 1.040 344 K CA 1.475 57.689 56.287 -0.122 0.000 0.981 344 K CB -0.112 32.241 32.500 -0.244 0.000 0.746 344 K HN 0.003 nan 8.250 nan 0.000 0.444 345 K N 0.838 121.001 120.400 -0.396 0.000 2.049 345 K HA -0.240 4.081 4.320 0.002 0.000 0.219 345 K C 2.254 178.674 176.600 -0.301 0.000 1.056 345 K CA 1.931 57.894 56.287 -0.540 0.000 0.946 345 K CB -0.865 30.900 32.500 -1.225 0.000 0.723 345 K HN 0.365 nan 8.250 nan 0.000 0.453 346 L N 1.076 122.153 121.223 -0.244 0.000 2.187 346 L HA -0.211 4.130 4.340 0.002 0.000 0.213 346 L C 2.791 179.753 176.870 0.153 0.000 1.100 346 L CA 1.164 55.974 54.840 -0.051 0.000 0.765 346 L CB -0.294 41.674 42.059 -0.152 0.000 0.904 346 L HN 0.362 nan 8.230 nan 0.000 0.437 347 Q N -0.236 119.671 119.800 0.179 0.000 2.137 347 Q HA -0.169 4.172 4.340 0.002 0.000 0.198 347 Q C 1.727 177.774 176.000 0.080 0.000 0.960 347 Q CA 1.012 56.931 55.803 0.194 0.000 0.847 347 Q CB 0.199 28.996 28.738 0.098 0.000 0.915 347 Q HN 0.548 nan 8.270 nan 0.000 0.448 348 E N -0.260 119.944 120.200 0.006 0.000 2.478 348 E HA -0.087 4.264 4.350 0.002 0.000 0.198 348 E C 1.286 177.900 176.600 0.023 0.000 1.046 348 E CA 0.479 56.870 56.400 -0.014 0.000 0.870 348 E CB 0.133 29.790 29.700 -0.071 0.000 0.818 348 E HN 0.264 nan 8.360 nan 0.000 0.527 349 A N 0.545 123.401 122.820 0.060 0.000 2.178 349 A HA 0.288 4.609 4.320 0.002 0.000 0.211 349 A C 1.712 179.348 177.584 0.086 0.000 1.157 349 A CA 0.728 52.810 52.037 0.076 0.000 0.780 349 A CB 0.070 19.127 19.000 0.095 0.000 0.828 349 A HN 0.315 nan 8.150 nan 0.000 0.476 350 G N -2.676 106.187 108.800 0.105 0.000 2.143 350 G HA2 -0.215 3.746 3.960 0.002 0.000 0.175 350 G HA3 -0.215 3.746 3.960 0.002 0.000 0.175 350 G C -0.228 174.774 174.900 0.170 0.000 1.004 350 G CA -0.099 45.062 45.100 0.102 0.000 0.671 350 G HN 0.772 nan 8.290 nan 0.000 0.512 351 W N 1.391 122.685 121.300 -0.009 0.000 2.238 351 W HA 0.577 5.238 4.660 0.002 0.000 0.321 351 W C -0.170 176.348 176.519 -0.003 0.000 1.293 351 W CA -0.879 56.461 57.345 -0.009 0.000 1.204 351 W CB 1.145 30.592 29.460 -0.020 0.000 1.167 351 W HN 0.245 nan 8.180 nan 0.000 0.553 352 V N 9.666 129.449 119.914 -0.218 0.000 2.277 352 V HA 0.187 4.308 4.120 0.002 0.000 0.269 352 V C -1.848 173.826 176.094 -0.701 0.000 1.036 352 V CA -1.842 60.249 62.300 -0.348 0.000 0.821 352 V CB 0.611 32.367 31.823 -0.112 0.000 1.052 352 V HN 0.426 nan 8.190 nan 0.000 0.462 353 P HA 0.116 nan 4.420 nan 0.000 0.261 353 P C 0.790 177.898 177.300 -0.320 0.000 1.203 353 P CA 0.561 62.994 63.100 -1.112 0.000 0.767 353 P CB 0.823 31.732 31.700 -1.318 0.000 0.785 354 T N 1.435 115.876 114.554 -0.188 0.000 3.000 354 T HA 0.060 4.411 4.350 0.002 0.000 0.233 354 T C 0.977 175.748 174.700 0.118 0.000 1.036 354 T CA 0.823 62.938 62.100 0.025 0.000 1.333 354 T CB -0.411 68.484 68.868 0.046 0.000 1.048 354 T HN 0.355 nan 8.240 nan 0.000 0.425 355 K N 1.458 121.896 120.400 0.062 0.000 2.412 355 K HA 0.382 4.703 4.320 0.002 0.000 0.284 355 K C -0.864 175.761 176.600 0.042 0.000 1.046 355 K CA 0.171 56.511 56.287 0.089 0.000 0.999 355 K CB -1.011 31.530 32.500 0.068 0.000 0.941 355 K HN 0.422 nan 8.250 nan 0.000 0.474 356 Y N -0.031 120.259 120.300 -0.016 0.000 2.650 356 Y HA 0.556 5.107 4.550 0.002 0.000 0.331 356 Y C 1.237 177.137 175.900 0.001 0.000 1.082 356 Y CA -0.539 57.550 58.100 -0.018 0.000 1.171 356 Y CB 2.403 40.840 38.460 -0.039 0.000 1.326 356 Y HN 0.688 nan 8.280 nan 0.000 0.513 357 T N -2.476 112.186 114.554 0.180 0.000 2.895 357 T HA 0.312 4.663 4.350 0.002 0.000 0.283 357 T C -0.803 173.952 174.700 0.092 0.000 1.014 357 T CA -1.069 61.093 62.100 0.105 0.000 1.037 357 T CB 1.022 69.932 68.868 0.070 0.000 1.006 357 T HN 0.354 nan 8.240 nan 0.000 0.468 358 D N 1.996 122.433 120.400 0.061 0.000 2.598 358 D HA 0.425 5.066 4.640 0.002 0.000 0.231 358 D C 0.971 177.294 176.300 0.039 0.000 1.127 358 D CA 0.539 54.564 54.000 0.042 0.000 1.126 358 D CB -0.459 40.360 40.800 0.032 0.000 1.124 358 D HN 0.814 nan 8.370 nan 0.000 0.485 359 K N -0.388 120.040 120.400 0.047 0.000 2.425 359 K HA 0.432 4.753 4.320 0.002 0.000 0.135 359 K C 1.011 177.643 176.600 0.054 0.000 1.602 359 K CA -0.044 56.268 56.287 0.042 0.000 1.046 359 K CB -0.823 31.700 32.500 0.039 0.000 1.562 359 K HN 0.549 nan 8.250 nan 0.000 0.415 360 G N -0.386 108.456 108.800 0.071 0.000 2.198 360 G HA2 0.319 4.280 3.960 0.002 0.000 0.257 360 G HA3 0.319 4.280 3.960 0.002 0.000 0.257 360 G C 0.268 175.276 174.900 0.180 0.000 1.042 360 G CA 0.668 45.824 45.100 0.093 0.000 0.791 360 G HN 2.032 nan 8.290 nan 0.000 0.502 361 A N -0.224 122.723 122.820 0.212 0.000 2.498 361 A HA 0.975 5.296 4.320 0.002 0.000 0.298 361 A C -2.743 174.862 177.584 0.034 0.000 1.075 361 A CA -1.472 50.657 52.037 0.153 0.000 0.714 361 A CB 2.523 21.564 19.000 0.068 0.000 1.299 361 A HN 0.218 nan 8.150 nan 0.000 0.407 362 P HA 0.319 nan 4.420 nan 0.000 0.285 362 P C -0.380 176.829 177.300 -0.152 0.000 1.259 362 P CA -0.040 62.715 63.100 -0.575 0.000 0.794 362 P CB 1.126 32.343 31.700 -0.806 0.000 0.940 363 V N 3.998 123.861 119.914 -0.084 0.000 2.479 363 V HA 0.035 4.156 4.120 0.002 0.000 0.281 363 V C 1.132 177.284 176.094 0.097 0.000 1.031 363 V CA 0.062 62.375 62.300 0.023 0.000 1.038 363 V CB 0.582 32.428 31.823 0.038 0.000 0.981 363 V HN 0.307 nan 8.190 nan 0.000 0.478 364 V N 4.502 124.462 119.914 0.077 0.000 2.759 364 V HA 0.187 4.308 4.120 0.002 0.000 0.342 364 V C 0.043 176.150 176.094 0.021 0.000 1.228 364 V CA -0.671 61.670 62.300 0.069 0.000 1.302 364 V CB -0.007 31.853 31.823 0.061 0.000 1.496 364 V HN 1.065 nan 8.190 nan 0.000 0.628 365 D N -1.331 119.084 120.400 0.025 0.000 2.383 365 D HA 0.096 4.737 4.640 0.002 0.000 0.248 365 D C 1.005 177.306 176.300 0.001 0.000 1.170 365 D CA -0.634 53.373 54.000 0.012 0.000 0.977 365 D CB 0.954 41.764 40.800 0.017 0.000 1.120 365 D HN 0.106 nan 8.370 nan 0.000 0.481 366 D N -0.888 119.511 120.400 -0.000 0.000 2.172 366 D HA -0.241 4.400 4.640 0.002 0.000 0.196 366 D C 1.563 177.859 176.300 -0.005 0.000 0.999 366 D CA 1.267 55.264 54.000 -0.005 0.000 0.856 366 D CB 0.225 41.027 40.800 0.003 0.000 0.934 366 D HN 0.399 nan 8.370 nan 0.000 0.453 367 E N 0.011 120.215 120.200 0.007 0.000 2.021 367 E HA -0.192 4.159 4.350 0.002 0.000 0.200 367 E C 2.443 179.053 176.600 0.016 0.000 1.015 367 E CA 1.901 58.310 56.400 0.014 0.000 0.824 367 E CB -0.621 29.094 29.700 0.025 0.000 0.762 367 E HN 0.374 nan 8.360 nan 0.000 0.454 368 V N -0.524 119.408 119.914 0.030 0.000 2.343 368 V HA -0.227 3.894 4.120 0.002 0.000 0.247 368 V C 2.745 178.810 176.094 -0.048 0.000 1.051 368 V CA 1.670 64.001 62.300 0.052 0.000 1.036 368 V CB -0.963 30.947 31.823 0.146 0.000 0.654 368 V HN 0.155 nan 8.190 nan 0.000 0.451 369 L N 0.140 121.305 121.223 -0.097 0.000 2.081 369 L HA -0.204 4.136 4.340 0.002 0.000 0.212 369 L C 2.820 179.616 176.870 -0.123 0.000 1.080 369 L CA 2.271 57.008 54.840 -0.173 0.000 0.754 369 L CB -0.630 41.361 42.059 -0.114 0.000 0.893 369 L HN 0.441 nan 8.230 nan 0.000 0.433 370 E N 0.125 120.289 120.200 -0.059 0.000 2.077 370 E HA -0.168 4.183 4.350 0.002 0.000 0.193 370 E C 2.118 178.696 176.600 -0.037 0.000 0.989 370 E CA 1.440 57.819 56.400 -0.036 0.000 0.800 370 E CB -0.303 29.390 29.700 -0.012 0.000 0.746 370 E HN 0.368 nan 8.360 nan 0.000 0.452 371 G N -0.080 108.705 108.800 -0.025 0.000 2.430 371 G HA2 -0.083 3.878 3.960 0.002 0.000 0.216 371 G HA3 -0.083 3.878 3.960 0.002 0.000 0.216 371 G C 0.398 175.289 174.900 -0.015 0.000 1.146 371 G CA 0.414 45.516 45.100 0.003 0.000 0.793 371 G HN 0.160 nan 8.290 nan 0.000 0.537 372 V N 1.568 121.410 119.914 -0.120 0.000 2.752 372 V HA 0.099 4.220 4.120 0.002 0.000 0.306 372 V C 0.085 176.109 176.094 -0.116 0.000 1.099 372 V CA 0.518 62.668 62.300 -0.250 0.000 1.240 372 V CB 0.428 31.819 31.823 -0.720 0.000 0.887 372 V HN 0.260 nan 8.190 nan 0.000 0.499 373 R N 3.583 124.073 120.500 -0.018 0.000 2.521 373 R HA 0.462 4.803 4.340 0.002 0.000 0.295 373 R C -0.660 175.667 176.300 0.045 0.000 1.183 373 R CA -0.396 55.711 56.100 0.013 0.000 0.957 373 R CB 1.285 31.608 30.300 0.038 0.000 1.171 373 R HN 0.647 nan 8.270 nan 0.000 0.494 374 V N -1.304 118.621 119.914 0.019 0.000 3.302 374 V HA 0.524 4.645 4.120 0.002 0.000 0.316 374 V C 0.529 176.638 176.094 0.026 0.000 1.111 374 V CA -0.451 61.875 62.300 0.043 0.000 1.029 374 V CB 1.667 33.517 31.823 0.044 0.000 1.170 374 V HN 0.367 nan 8.190 nan 0.000 0.452 375 D N -0.474 119.943 120.400 0.027 0.000 2.259 375 D HA 0.045 4.686 4.640 0.002 0.000 0.216 375 D C 0.660 176.960 176.300 0.001 0.000 0.961 375 D CA 0.991 55.000 54.000 0.015 0.000 0.878 375 D CB -0.005 40.806 40.800 0.018 0.000 1.009 375 D HN 0.826 nan 8.370 nan 0.000 0.490 376 D N 1.225 121.624 120.400 -0.002 0.000 2.389 376 D HA -0.044 4.597 4.640 0.002 0.000 0.263 376 D C -1.346 174.935 176.300 -0.033 0.000 1.255 376 D CA -1.285 52.703 54.000 -0.020 0.000 0.914 376 D CB 1.352 42.136 40.800 -0.027 0.000 1.116 376 D HN 0.046 nan 8.370 nan 0.000 0.502 377 P HA -0.243 nan 4.420 nan 0.000 0.215 377 P C 1.224 178.491 177.300 -0.056 0.000 1.163 377 P CA 1.404 64.482 63.100 -0.036 0.000 0.894 377 P CB 0.253 31.935 31.700 -0.030 0.000 0.791 378 E N 0.620 120.775 120.200 -0.075 0.000 2.085 378 E HA -0.217 4.134 4.350 0.002 0.000 0.194 378 E C 2.084 178.592 176.600 -0.153 0.000 0.994 378 E CA 1.520 57.855 56.400 -0.108 0.000 0.801 378 E CB -0.311 29.313 29.700 -0.127 0.000 0.743 378 E HN 0.174 nan 8.360 nan 0.000 0.453 379 K N 0.090 120.395 120.400 -0.159 0.000 2.001 379 K HA -0.208 4.113 4.320 0.002 0.000 0.208 379 K C 2.414 178.969 176.600 -0.076 0.000 1.048 379 K CA 1.621 57.801 56.287 -0.179 0.000 0.932 379 K CB -0.197 32.244 32.500 -0.098 0.000 0.715 379 K HN 0.201 nan 8.250 nan 0.000 0.437 380 Q N 0.712 120.484 119.800 -0.045 0.000 2.291 380 Q HA -0.136 4.205 4.340 0.002 0.000 0.206 380 Q C 1.763 177.743 176.000 -0.033 0.000 0.976 380 Q CA 1.303 57.087 55.803 -0.032 0.000 0.875 380 Q CB -0.032 28.689 28.738 -0.028 0.000 0.927 380 Q HN 0.320 nan 8.270 nan 0.000 0.450 381 A N 0.632 123.425 122.820 -0.046 0.000 1.898 381 A HA -0.027 4.294 4.320 0.002 0.000 0.216 381 A C 2.260 179.828 177.584 -0.028 0.000 1.181 381 A CA 1.408 53.423 52.037 -0.037 0.000 0.620 381 A CB -0.910 18.061 19.000 -0.049 0.000 0.819 381 A HN 0.555 nan 8.150 nan 0.000 0.442 382 A N -0.685 122.104 122.820 -0.052 0.000 2.168 382 A HA 0.107 4.428 4.320 0.002 0.000 0.215 382 A C 1.950 179.576 177.584 0.070 0.000 1.152 382 A CA 0.964 52.992 52.037 -0.015 0.000 0.716 382 A CB -0.547 18.371 19.000 -0.137 0.000 0.794 382 A HN 0.501 nan 8.150 nan 0.000 0.465 383 I N -0.103 120.491 120.570 0.041 0.000 2.252 383 I HA -0.211 3.960 4.170 0.002 0.000 0.245 383 I C 2.699 178.833 176.117 0.029 0.000 1.102 383 I CA 1.563 62.880 61.300 0.028 0.000 1.385 383 I CB -0.378 37.597 38.000 -0.042 0.000 1.064 383 I HN 0.522 nan 8.210 nan 0.000 0.414 384 D N 0.500 120.912 120.400 0.021 0.000 2.310 384 D HA 0.045 4.686 4.640 0.002 0.000 0.212 384 D C 2.077 178.412 176.300 0.059 0.000 0.965 384 D CA 1.418 55.435 54.000 0.029 0.000 0.879 384 D CB -0.606 40.205 40.800 0.019 0.000 0.921 384 D HN 0.304 nan 8.370 nan 0.000 0.510 385 L N -0.690 120.579 121.223 0.077 0.000 2.375 385 L HA 0.429 4.770 4.340 0.002 0.000 0.215 385 L C 2.620 179.591 176.870 0.169 0.000 1.108 385 L CA 0.687 55.595 54.840 0.114 0.000 0.830 385 L CB -0.807 41.313 42.059 0.103 0.000 0.959 385 L HN 0.512 nan 8.230 nan 0.000 0.457 386 I N -1.188 119.474 120.570 0.153 0.000 2.277 386 I HA -0.150 4.021 4.170 0.002 0.000 0.243 386 I C 2.718 178.925 176.117 0.152 0.000 1.094 386 I CA 0.770 62.171 61.300 0.169 0.000 1.393 386 I CB -0.309 37.776 38.000 0.143 0.000 1.078 386 I HN 0.309 nan 8.210 nan 0.000 0.417 387 K N 1.080 121.536 120.400 0.092 0.000 2.034 387 K HA -0.277 4.044 4.320 0.002 0.000 0.214 387 K C 2.206 178.854 176.600 0.081 0.000 1.051 387 K CA 2.460 58.786 56.287 0.064 0.000 0.931 387 K CB -0.826 31.697 32.500 0.038 0.000 0.715 387 K HN 0.492 nan 8.250 nan 0.000 0.446 388 E N 0.770 121.027 120.200 0.096 0.000 2.150 388 E HA -0.186 4.165 4.350 0.002 0.000 0.193 388 E C 1.751 178.405 176.600 0.089 0.000 0.985 388 E CA 1.252 57.704 56.400 0.086 0.000 0.814 388 E CB -0.894 28.861 29.700 0.092 0.000 0.752 388 E HN 0.489 nan 8.360 nan 0.000 0.466 389 Y N 0.563 120.877 120.300 0.023 0.000 2.263 389 Y HA 0.032 4.583 4.550 0.002 0.000 0.292 389 Y C 2.151 178.041 175.900 -0.015 0.000 1.130 389 Y CA 1.488 59.596 58.100 0.013 0.000 1.179 389 Y CB -0.110 38.373 38.460 0.038 0.000 0.998 389 Y HN 0.177 nan 8.280 nan 0.000 0.532 390 L N -0.382 120.983 121.223 0.236 0.000 2.046 390 L HA -0.262 4.078 4.340 0.002 0.000 0.208 390 L C 2.722 179.585 176.870 -0.013 0.000 1.077 390 L CA 1.665 56.580 54.840 0.124 0.000 0.747 390 L CB -0.527 41.584 42.059 0.086 0.000 0.896 390 L HN 0.355 nan 8.230 nan 0.000 0.432 391 M N -0.171 119.412 119.600 -0.027 0.000 2.099 391 M HA -0.198 4.283 4.480 0.002 0.000 0.262 391 M C 2.344 178.544 176.300 -0.167 0.000 1.067 391 M CA 1.813 57.070 55.300 -0.072 0.000 1.124 391 M CB -0.124 32.457 32.600 -0.032 0.000 1.353 391 M HN 0.129 nan 8.290 nan 0.000 0.410 392 I N 1.080 121.519 120.570 -0.218 0.000 2.300 392 I HA -0.324 3.847 4.170 0.002 0.000 0.252 392 I C 2.420 178.355 176.117 -0.304 0.000 1.119 392 I CA 1.489 62.594 61.300 -0.325 0.000 1.384 392 I CB -1.403 36.391 38.000 -0.345 0.000 1.062 392 I HN 0.462 nan 8.210 nan 0.000 0.426 393 Q N 0.173 119.807 119.800 -0.277 0.000 2.123 393 Q HA -0.182 4.159 4.340 0.002 0.000 0.199 393 Q C 2.139 178.039 176.000 -0.167 0.000 0.966 393 Q CA 0.932 56.608 55.803 -0.213 0.000 0.845 393 Q CB -0.219 28.425 28.738 -0.157 0.000 0.907 393 Q HN 0.310 nan 8.270 nan 0.000 0.439 394 K N 0.653 120.962 120.400 -0.150 0.000 2.362 394 K HA -0.070 4.251 4.320 0.002 0.000 0.200 394 K C 1.739 178.231 176.600 -0.180 0.000 1.046 394 K CA 0.906 57.109 56.287 -0.138 0.000 0.952 394 K CB 0.225 32.663 32.500 -0.103 0.000 0.753 394 K HN -0.014 nan 8.250 nan 0.000 0.466 395 R N -0.473 119.902 120.500 -0.209 0.000 2.103 395 R HA 0.205 4.546 4.340 0.002 0.000 0.212 395 R C 2.211 178.364 176.300 -0.245 0.000 1.107 395 R CA 0.926 56.887 56.100 -0.231 0.000 1.025 395 R CB -0.367 29.771 30.300 -0.270 0.000 0.929 395 R HN 0.218 nan 8.270 nan 0.000 0.456 396 I N 0.621 121.070 120.570 -0.202 0.000 2.567 396 I HA -0.152 4.019 4.170 0.002 0.000 0.257 396 I C 2.290 178.265 176.117 -0.237 0.000 1.184 396 I CA 1.464 62.671 61.300 -0.154 0.000 1.451 396 I CB -0.456 37.509 38.000 -0.058 0.000 1.089 396 I HN 0.237 nan 8.210 nan 0.000 0.441 397 G N -0.047 108.613 108.800 -0.233 0.000 2.411 397 G HA2 -0.213 3.748 3.960 0.002 0.000 0.213 397 G HA3 -0.213 3.748 3.960 0.002 0.000 0.213 397 G C 1.543 176.248 174.900 -0.324 0.000 1.166 397 G CA 0.289 45.249 45.100 -0.233 0.000 0.802 397 G HN 0.395 nan 8.290 nan 0.000 0.533 398 Q N 0.902 120.458 119.800 -0.407 0.000 2.224 398 Q HA -0.085 4.256 4.340 0.002 0.000 0.203 398 Q C 2.429 177.740 176.000 -1.148 0.000 0.970 398 Q CA 2.016 57.445 55.803 -0.624 0.000 0.865 398 Q CB -0.044 28.365 28.738 -0.549 0.000 0.922 398 Q HN 0.582 nan 8.270 nan 0.000 0.445 399 S N -1.633 113.501 115.700 -0.943 0.000 2.510 399 S HA 0.314 4.785 4.470 0.002 0.000 0.230 399 S C 1.648 176.046 174.600 -0.336 0.000 1.066 399 S CA 0.173 57.879 58.200 -0.824 0.000 0.941 399 S CB 0.338 63.340 63.200 -0.329 0.000 0.829 399 S HN 0.373 nan 8.310 nan 0.000 0.530 400 A N 1.525 124.097 122.820 -0.413 0.000 1.995 400 A HA 0.452 4.773 4.320 0.002 0.000 0.200 400 A C 1.846 179.165 177.584 -0.442 0.000 1.566 400 A CA 0.437 52.157 52.037 -0.529 0.000 0.895 400 A CB -0.221 18.019 19.000 -1.267 0.000 1.046 400 A HN 0.428 nan 8.150 nan 0.000 0.523 401 E N 0.546 120.508 120.200 -0.397 0.000 2.250 401 E HA 0.153 4.504 4.350 0.002 0.000 0.192 401 E C 1.326 177.838 176.600 -0.145 0.000 0.986 401 E CA 0.131 56.397 56.400 -0.224 0.000 0.849 401 E CB -0.172 29.439 29.700 -0.148 0.000 0.797 401 E HN 0.526 nan 8.360 nan 0.000 0.482 402 G N 1.330 110.033 108.800 -0.161 0.000 2.794 402 G HA2 -0.167 3.794 3.960 0.002 0.000 0.249 402 G HA3 -0.167 3.794 3.960 0.002 0.000 0.249 402 G C -0.184 174.687 174.900 -0.050 0.000 1.236 402 G CA -0.021 45.014 45.100 -0.107 0.000 0.880 402 G HN -0.017 nan 8.290 nan 0.000 0.586 403 D N -0.509 119.891 120.400 0.001 0.000 2.162 403 D HA 0.004 4.645 4.640 0.002 0.000 0.203 403 D C 1.495 177.906 176.300 0.185 0.000 0.967 403 D CA 0.888 54.926 54.000 0.063 0.000 0.840 403 D CB 0.223 41.071 40.800 0.081 0.000 0.972 403 D HN 0.222 nan 8.370 nan 0.000 0.482 404 K N 0.886 121.400 120.400 0.189 0.000 2.814 404 K HA 0.465 4.786 4.320 0.002 0.000 0.213 404 K C -0.224 176.487 176.600 0.185 0.000 1.113 404 K CA -0.294 56.197 56.287 0.340 0.000 1.145 404 K CB 0.629 33.190 32.500 0.101 0.000 0.948 404 K HN 0.009 nan 8.250 nan 0.000 0.464 405 A N 0.636 123.519 122.820 0.105 0.000 2.462 405 A HA 0.111 4.432 4.320 0.002 0.000 0.243 405 A C 0.774 178.418 177.584 0.099 0.000 1.076 405 A CA -0.433 51.553 52.037 -0.084 0.000 0.773 405 A CB 0.100 19.015 19.000 -0.141 0.000 1.010 405 A HN 0.343 nan 8.150 nan 0.000 0.493 406 W N 1.602 122.900 121.300 -0.003 0.000 2.317 406 W HA -0.216 4.444 4.660 0.001 0.000 0.318 406 W C 1.773 178.176 176.519 -0.194 0.000 1.227 406 W CA 1.123 58.360 57.345 -0.180 0.000 1.269 406 W CB -1.352 27.917 29.460 -0.318 0.000 1.155 406 W HN 0.663 nan 8.180 nan 0.000 0.484 407 L N -0.053 121.285 121.223 0.192 0.000 2.263 407 L HA -0.207 4.134 4.340 0.002 0.000 0.216 407 L C 2.434 179.341 176.870 0.061 0.000 1.111 407 L CA 1.356 56.292 54.840 0.159 0.000 0.773 407 L CB -0.686 41.445 42.059 0.120 0.000 0.906 407 L HN 0.037 nan 8.230 nan 0.000 0.439 408 R N -2.015 118.497 120.500 0.019 0.000 2.189 408 R HA -0.015 4.326 4.340 0.002 0.000 0.203 408 R C 1.510 177.688 176.300 -0.204 0.000 1.012 408 R CA 0.469 56.514 56.100 -0.091 0.000 1.015 408 R CB 0.090 30.312 30.300 -0.131 0.000 0.938 408 R HN 0.209 nan 8.270 nan 0.000 0.472 409 Y N 0.497 120.805 120.300 0.012 0.000 2.466 409 Y HA 0.102 4.653 4.550 0.002 0.000 0.272 409 Y C 0.360 176.259 175.900 -0.002 0.000 1.169 409 Y CA -0.388 57.726 58.100 0.023 0.000 1.285 409 Y CB 0.625 39.119 38.460 0.058 0.000 1.078 409 Y HN -0.250 nan 8.280 nan 0.000 0.523 410 V N 0.999 120.941 119.914 0.046 0.000 2.585 410 V HA 0.298 4.419 4.120 0.002 0.000 0.296 410 V C 0.731 176.870 176.094 0.075 0.000 1.035 410 V CA -0.882 61.447 62.300 0.048 0.000 1.084 410 V CB 0.001 31.903 31.823 0.131 0.000 0.953 410 V HN 0.235 nan 8.190 nan 0.000 0.483 411 A N 3.681 126.557 122.820 0.094 0.000 2.259 411 A HA 0.634 4.955 4.320 0.002 0.000 0.278 411 A C 1.449 179.078 177.584 0.076 0.000 1.107 411 A CA 0.281 52.388 52.037 0.117 0.000 0.828 411 A CB 0.128 19.264 19.000 0.227 0.000 1.111 411 A HN 1.167 nan 8.150 nan 0.000 0.498 412 E N -0.021 120.217 120.200 0.064 0.000 2.150 412 E HA -0.180 4.170 4.350 0.002 0.000 0.193 412 E C 0.920 177.539 176.600 0.032 0.000 0.985 412 E CA 1.756 58.179 56.400 0.039 0.000 0.814 412 E CB -1.049 28.668 29.700 0.027 0.000 0.752 412 E HN 0.853 nan 8.360 nan 0.000 0.466 413 D N -1.742 118.684 120.400 0.042 0.000 2.352 413 D HA 0.307 4.948 4.640 0.002 0.000 0.232 413 D C 1.225 177.504 176.300 -0.035 0.000 1.055 413 D CA 0.527 54.530 54.000 0.006 0.000 0.891 413 D CB -0.102 40.714 40.800 0.027 0.000 0.897 413 D HN 0.603 nan 8.370 nan 0.000 0.529 414 G N 0.257 109.057 108.800 -0.001 0.000 2.295 414 G HA2 -0.315 3.646 3.960 0.002 0.000 0.287 414 G HA3 -0.315 3.646 3.960 0.002 0.000 0.287 414 G C -0.230 174.650 174.900 -0.032 0.000 1.055 414 G CA 0.188 45.286 45.100 -0.004 0.000 0.922 414 G HN 0.474 nan 8.290 nan 0.000 0.503 415 K N -1.016 119.357 120.400 -0.045 0.000 2.508 415 K HA 0.660 4.981 4.320 0.002 0.000 0.260 415 K C -0.515 175.981 176.600 -0.173 0.000 0.949 415 K CA -1.061 55.154 56.287 -0.119 0.000 0.834 415 K CB 2.268 34.623 32.500 -0.242 0.000 1.365 415 K HN 0.092 nan 8.250 nan 0.000 0.437 416 I N 2.952 123.441 120.570 -0.136 0.000 2.330 416 I HA 0.165 4.335 4.170 0.002 0.000 0.289 416 I C -0.070 176.003 176.117 -0.074 0.000 1.001 416 I CA -0.608 60.646 61.300 -0.076 0.000 1.193 416 I CB 0.743 38.701 38.000 -0.070 0.000 1.345 416 I HN 0.514 nan 8.210 nan 0.000 0.461 417 H N 6.077 125.253 119.070 0.176 0.000 2.557 417 H HA 0.182 4.739 4.556 0.002 0.000 0.236 417 H C 0.815 176.234 175.328 0.152 0.000 1.676 417 H CA -0.257 55.889 56.048 0.162 0.000 1.197 417 H CB -0.013 29.826 29.762 0.127 0.000 1.604 417 H HN 0.733 nan 8.280 nan 0.000 0.509 418 G N 1.334 110.263 108.800 0.215 0.000 2.474 418 G HA2 0.041 4.002 3.960 0.002 0.000 0.233 418 G HA3 0.041 4.002 3.960 0.002 0.000 0.233 418 G C 0.560 175.566 174.900 0.177 0.000 1.278 418 G CA -0.228 44.964 45.100 0.154 0.000 0.861 418 G HN 0.460 nan 8.290 nan 0.000 0.567 419 S N -0.405 115.392 115.700 0.162 0.000 2.632 419 S HA 0.664 5.135 4.470 0.002 0.000 0.271 419 S C -0.340 174.309 174.600 0.082 0.000 1.260 419 S CA -0.694 57.594 58.200 0.147 0.000 1.010 419 S CB 1.835 65.160 63.200 0.209 0.000 0.965 419 S HN 0.767 nan 8.310 nan 0.000 0.534 420 V N 2.766 122.707 119.914 0.045 0.000 2.709 420 V HA 0.490 4.611 4.120 0.002 0.000 0.308 420 V C -0.687 175.382 176.094 -0.042 0.000 1.062 420 V CA -0.964 61.301 62.300 -0.058 0.000 0.901 420 V CB 1.833 33.648 31.823 -0.012 0.000 1.003 420 V HN 0.980 nan 8.190 nan 0.000 0.425 421 N N 6.234 124.871 118.700 -0.106 0.000 2.501 421 N HA 0.359 5.100 4.740 0.002 0.000 0.245 421 N C -1.559 173.937 175.510 -0.024 0.000 0.974 421 N CA -2.242 50.784 53.050 -0.040 0.000 0.941 421 N CB 2.228 40.691 38.487 -0.041 0.000 1.122 421 N HN 0.359 nan 8.380 nan 0.000 0.507 422 P HA -0.053 nan 4.420 nan 0.000 0.236 422 P C -0.208 177.175 177.300 0.138 0.000 1.172 422 P CA 0.838 64.031 63.100 0.156 0.000 0.759 422 P CB 0.675 32.471 31.700 0.161 0.000 0.843 423 N N -0.976 117.767 118.700 0.071 0.000 2.506 423 N HA 0.138 4.879 4.740 0.002 0.000 0.134 423 N C 1.311 176.848 175.510 0.045 0.000 1.826 423 N CA 0.728 53.822 53.050 0.074 0.000 1.300 423 N CB -0.600 37.925 38.487 0.064 0.000 0.947 423 N HN -0.010 nan 8.380 nan 0.000 0.489 424 G N 1.020 109.843 108.800 0.039 0.000 2.249 424 G HA2 -0.330 3.631 3.960 0.002 0.000 0.273 424 G HA3 -0.330 3.631 3.960 0.002 0.000 0.273 424 G C 0.826 175.746 174.900 0.034 0.000 0.995 424 G CA 2.040 47.157 45.100 0.030 0.000 0.671 424 G HN 0.736 nan 8.290 nan 0.000 0.539 425 A N -2.087 120.763 122.820 0.050 0.000 1.922 425 A HA 0.692 5.013 4.320 0.002 0.000 0.216 425 A C 1.971 179.592 177.584 0.062 0.000 1.370 425 A CA 2.668 54.740 52.037 0.058 0.000 0.627 425 A CB 0.251 19.297 19.000 0.078 0.000 1.060 425 A HN 1.726 nan 8.150 nan 0.000 0.487 426 V N -2.162 117.796 119.914 0.074 0.000 2.411 426 V HA -0.163 3.958 4.120 0.002 0.000 0.897 426 V C 1.341 177.488 176.094 0.088 0.000 2.848 426 V CA 2.234 64.584 62.300 0.083 0.000 4.024 426 V CB -1.470 30.409 31.823 0.093 0.000 1.055 426 V HN 0.902 nan 8.190 nan 0.000 1.112 427 T N -2.581 112.024 114.554 0.085 0.000 3.001 427 T HA 0.588 4.939 4.350 0.002 0.000 0.251 427 T C 1.603 176.366 174.700 0.105 0.000 1.040 427 T CA 1.298 63.447 62.100 0.083 0.000 0.985 427 T CB 1.090 69.999 68.868 0.068 0.000 1.011 427 T HN 1.989 nan 8.240 nan 0.000 0.509 428 G N 1.344 110.218 108.800 0.123 0.000 2.480 428 G HA2 -0.145 3.816 3.960 0.002 0.000 0.193 428 G HA3 -0.145 3.816 3.960 0.002 0.000 0.193 428 G C 0.219 175.240 174.900 0.202 0.000 1.004 428 G CA -0.778 44.419 45.100 0.161 0.000 0.696 428 G HN 0.406 nan 8.290 nan 0.000 0.478 429 R N 1.363 121.971 120.500 0.180 0.000 2.698 429 R HA 0.511 4.852 4.340 0.002 0.000 0.266 429 R C 0.878 177.236 176.300 0.096 0.000 1.026 429 R CA 0.835 57.045 56.100 0.183 0.000 1.102 429 R CB 0.389 30.807 30.300 0.197 0.000 0.978 429 R HN 0.691 nan 8.270 nan 0.000 0.436 430 A N 1.315 124.101 122.820 -0.056 0.000 2.242 430 A HA 0.516 4.837 4.320 0.002 0.000 0.304 430 A C -0.090 177.382 177.584 -0.188 0.000 1.100 430 A CA -0.337 51.602 52.037 -0.164 0.000 0.860 430 A CB 0.670 19.443 19.000 -0.378 0.000 1.168 430 A HN 0.725 nan 8.150 nan 0.000 0.503 431 T N -1.100 113.303 114.554 -0.252 0.000 2.841 431 T HA 0.631 4.982 4.350 0.002 0.000 0.285 431 T C -0.802 173.726 174.700 -0.287 0.000 0.991 431 T CA -0.537 61.480 62.100 -0.139 0.000 0.966 431 T CB 0.686 69.520 68.868 -0.057 0.000 0.962 431 T HN 0.606 nan 8.240 nan 0.000 0.438 432 H N 1.378 120.385 119.070 -0.104 0.000 2.483 432 H HA 0.896 5.453 4.556 0.002 0.000 0.338 432 H C 0.257 175.491 175.328 -0.157 0.000 1.152 432 H CA -0.153 55.835 56.048 -0.101 0.000 1.264 432 H CB 1.595 31.300 29.762 -0.094 0.000 1.510 432 H HN 1.175 nan 8.280 nan 0.000 0.530 433 A N 0.659 123.428 122.820 -0.084 0.000 2.549 433 A HA 0.459 4.780 4.320 0.002 0.000 0.291 433 A C -1.570 175.860 177.584 -0.258 0.000 1.034 433 A CA -0.998 50.830 52.037 -0.349 0.000 0.655 433 A CB 0.174 18.747 19.000 -0.712 0.000 1.299 433 A HN 0.605 nan 8.150 nan 0.000 0.427 434 F N -1.621 118.211 119.950 -0.196 0.000 2.807 434 F HA -0.128 4.400 4.527 0.002 0.000 0.297 434 F C -2.128 173.264 175.800 -0.679 0.000 1.024 434 F CA 0.899 58.618 58.000 -0.467 0.000 1.008 434 F CB -1.999 36.865 39.000 -0.226 0.000 1.142 434 F HN 0.446 nan 8.300 nan 0.000 0.829 435 P HA 0.218 nan 4.420 nan 0.000 0.284 435 P C -0.342 176.884 177.300 -0.123 0.000 1.287 435 P CA -0.562 62.351 63.100 -0.311 0.000 0.824 435 P CB 1.066 32.698 31.700 -0.114 0.000 1.180 436 N N 0.660 119.303 118.700 -0.095 0.000 2.402 436 N HA 0.092 4.833 4.740 0.002 0.000 0.252 436 N C 0.126 175.640 175.510 0.007 0.000 1.118 436 N CA 0.003 53.024 53.050 -0.047 0.000 0.945 436 N CB -0.701 37.740 38.487 -0.077 0.000 1.147 436 N HN 0.272 nan 8.380 nan 0.000 0.495 437 L N 2.381 123.622 121.223 0.029 0.000 2.805 437 L HA 0.325 4.666 4.340 0.002 0.000 0.237 437 L C 0.865 177.705 176.870 -0.050 0.000 1.252 437 L CA -0.191 54.645 54.840 -0.008 0.000 1.064 437 L CB -0.152 41.938 42.059 0.050 0.000 1.361 437 L HN 0.604 nan 8.230 nan 0.000 0.474 438 A N 0.519 123.250 122.820 -0.149 0.000 2.605 438 A HA 0.246 4.567 4.320 0.002 0.000 0.292 438 A C 0.708 178.210 177.584 -0.136 0.000 1.055 438 A CA -0.254 51.636 52.037 -0.245 0.000 0.969 438 A CB 0.166 18.768 19.000 -0.664 0.000 1.236 438 A HN 0.506 nan 8.150 nan 0.000 0.534 439 Q N 0.250 119.977 119.800 -0.122 0.000 2.147 439 Q HA 0.360 4.701 4.340 0.002 0.000 0.287 439 Q C -0.789 175.152 176.000 -0.098 0.000 0.863 439 Q CA -0.433 55.311 55.803 -0.098 0.000 1.073 439 Q CB 0.130 28.829 28.738 -0.065 0.000 1.298 439 Q HN 0.262 nan 8.270 nan 0.000 0.411 440 I N 3.604 124.052 120.570 -0.204 0.000 2.496 440 I HA 0.252 4.423 4.170 0.002 0.000 0.285 440 I C -1.757 174.247 176.117 -0.188 0.000 1.080 440 I CA -1.960 59.220 61.300 -0.199 0.000 1.404 440 I CB 0.180 37.790 38.000 -0.650 0.000 1.403 440 I HN 0.183 nan 8.210 nan 0.000 0.539 441 P HA 0.026 nan 4.420 nan 0.000 0.266 441 P C 0.185 177.405 177.300 -0.134 0.000 1.193 441 P CA -0.033 63.032 63.100 -0.059 0.000 0.770 441 P CB 0.555 32.270 31.700 0.025 0.000 0.836 442 G N 0.626 109.353 108.800 -0.121 0.000 2.588 442 G HA2 0.300 4.260 3.960 0.002 0.000 0.281 442 G HA3 0.300 4.260 3.960 0.002 0.000 0.281 442 G C 1.245 176.097 174.900 -0.081 0.000 1.236 442 G CA -0.293 44.720 45.100 -0.144 0.000 0.969 442 G HN 0.363 nan 8.290 nan 0.000 0.504 443 V N -3.066 116.807 119.914 -0.069 0.000 2.759 443 V HA 0.121 4.241 4.120 0.002 0.000 0.256 443 V C 2.442 178.530 176.094 -0.009 0.000 1.080 443 V CA 1.909 64.194 62.300 -0.026 0.000 1.101 443 V CB -1.435 30.381 31.823 -0.012 0.000 0.698 443 V HN 0.711 nan 8.190 nan 0.000 0.477 444 R N -0.247 120.246 120.500 -0.011 0.000 3.732 444 R HA 0.635 4.976 4.340 0.002 0.000 0.258 444 R C 0.457 176.760 176.300 0.005 0.000 1.661 444 R CA 0.694 56.793 56.100 -0.001 0.000 1.424 444 R CB -0.959 29.340 30.300 -0.002 0.000 1.308 444 R HN 0.553 nan 8.270 nan 0.000 0.634 445 S N 0.704 116.413 115.700 0.015 0.000 2.566 445 S HA 0.473 4.944 4.470 0.002 0.000 0.273 445 S C -2.933 171.719 174.600 0.086 0.000 1.157 445 S CA -1.308 56.916 58.200 0.040 0.000 0.938 445 S CB 2.253 65.470 63.200 0.028 0.000 1.087 445 S HN 0.259 nan 8.310 nan 0.000 0.474 446 P HA -0.009 nan 4.420 nan 0.000 0.255 446 P C -0.510 177.088 177.300 0.497 0.000 1.151 446 P CA 1.041 64.300 63.100 0.265 0.000 0.767 446 P CB -0.396 31.507 31.700 0.338 0.000 0.736 447 Y N 0.300 120.617 120.300 0.029 0.000 4.881 447 Y HA -0.251 4.300 4.550 0.002 0.000 0.241 447 Y C 1.795 177.729 175.900 0.057 0.000 0.985 447 Y CA 0.601 58.731 58.100 0.050 0.000 1.976 447 Y CB -2.339 36.159 38.460 0.063 0.000 1.528 447 Y HN 0.532 nan 8.280 nan 0.000 0.581 448 G N -0.154 108.738 108.800 0.154 0.000 3.061 448 G HA2 0.082 4.043 3.960 0.002 0.000 0.208 448 G HA3 0.082 4.043 3.960 0.002 0.000 0.208 448 G C 1.036 175.958 174.900 0.038 0.000 1.175 448 G CA 0.906 46.054 45.100 0.080 0.000 0.812 448 G HN 0.481 nan 8.290 nan 0.000 0.523 449 E N -0.278 119.952 120.200 0.051 0.000 2.330 449 E HA 0.106 4.457 4.350 0.002 0.000 0.200 449 E C 2.306 178.944 176.600 0.063 0.000 0.922 449 E CA 0.443 56.863 56.400 0.034 0.000 0.935 449 E CB 0.095 29.799 29.700 0.006 0.000 0.917 449 E HN 0.349 nan 8.360 nan 0.000 0.491 450 Q N -0.882 118.973 119.800 0.092 0.000 2.212 450 Q HA 0.024 4.365 4.340 0.002 0.000 0.199 450 Q C 1.958 178.043 176.000 0.143 0.000 0.950 450 Q CA 1.256 57.128 55.803 0.115 0.000 0.863 450 Q CB 0.161 28.986 28.738 0.145 0.000 0.944 450 Q HN 0.354 nan 8.270 nan 0.000 0.465 451 C N 0.114 119.522 119.300 0.180 0.000 2.489 451 C HA -0.004 4.457 4.460 0.002 0.000 0.279 451 C C 2.392 177.453 174.990 0.119 0.000 1.266 451 C CA 0.280 59.411 59.018 0.188 0.000 1.707 451 C CB -0.642 27.273 27.740 0.291 0.000 2.059 451 C HN 0.457 nan 8.230 nan 0.000 0.481 452 R N 1.488 122.011 120.500 0.039 0.000 2.096 452 R HA -0.066 4.275 4.340 0.002 0.000 0.235 452 R C 2.247 178.689 176.300 0.235 0.000 1.127 452 R CA 1.569 57.687 56.100 0.030 0.000 0.968 452 R CB -1.046 29.202 30.300 -0.088 0.000 0.861 452 R HN 0.560 nan 8.270 nan 0.000 0.440 453 A N 0.831 123.759 122.820 0.179 0.000 2.172 453 A HA 0.038 4.359 4.320 0.002 0.000 0.216 453 A C 2.020 179.738 177.584 0.223 0.000 1.154 453 A CA 1.381 53.545 52.037 0.211 0.000 0.701 453 A CB -0.205 18.880 19.000 0.141 0.000 0.789 453 A HN 0.326 nan 8.150 nan 0.000 0.465 454 A N -1.623 121.239 122.820 0.070 0.000 2.238 454 A HA 0.479 4.800 4.320 0.002 0.000 0.210 454 A C 0.021 177.231 177.584 -0.623 0.000 1.179 454 A CA -0.021 51.787 52.037 -0.382 0.000 0.827 454 A CB -0.133 18.561 19.000 -0.510 0.000 0.856 454 A HN 0.301 nan 8.150 nan 0.000 0.488 455 F N 0.095 120.028 119.950 -0.028 0.000 2.325 455 F HA 0.611 5.139 4.527 0.002 0.000 0.369 455 F C 0.653 176.794 175.800 0.569 0.000 1.095 455 F CA -0.458 57.585 58.000 0.072 0.000 1.082 455 F CB 1.634 40.445 39.000 -0.314 0.000 1.289 455 F HN 0.126 nan 8.300 nan 0.000 0.462 456 G N 0.551 109.863 108.800 0.854 0.000 2.632 456 G HA2 0.490 4.451 3.960 0.002 0.000 0.292 456 G HA3 0.490 4.451 3.960 0.002 0.000 0.292 456 G C 0.111 175.264 174.900 0.421 0.000 1.465 456 G CA -0.218 45.289 45.100 0.679 0.000 0.824 456 G HN 0.647 nan 8.290 nan 0.000 0.509 457 A N 0.443 123.403 122.820 0.233 0.000 1.917 457 A HA -0.072 4.249 4.320 0.002 0.000 0.219 457 A C 1.982 179.644 177.584 0.130 0.000 1.182 457 A CA 2.314 54.466 52.037 0.191 0.000 0.633 457 A CB -0.684 18.472 19.000 0.259 0.000 0.819 457 A HN 1.059 nan 8.150 nan 0.000 0.448 458 E N -0.754 119.454 120.200 0.013 0.000 2.448 458 E HA -0.242 4.109 4.350 0.002 0.000 0.203 458 E C 0.830 177.275 176.600 -0.259 0.000 1.046 458 E CA 1.362 57.678 56.400 -0.140 0.000 0.871 458 E CB -0.542 29.007 29.700 -0.250 0.000 0.790 458 E HN 0.810 nan 8.360 nan 0.000 0.545 459 H N -0.764 118.332 119.070 0.043 0.000 2.529 459 H HA 0.113 4.670 4.556 0.002 0.000 0.277 459 H C -0.283 175.032 175.328 -0.022 0.000 1.004 459 H CA 0.125 56.166 56.048 -0.011 0.000 1.167 459 H CB 0.099 29.836 29.762 -0.042 0.000 1.445 459 H HN 0.222 nan 8.280 nan 0.000 0.554 460 H N 1.165 120.171 119.070 -0.107 0.000 2.638 460 H HA 0.295 4.852 4.556 0.002 0.000 0.317 460 H C -0.716 174.523 175.328 -0.149 0.000 1.006 460 H CA -0.607 55.267 56.048 -0.289 0.000 1.222 460 H CB 0.029 29.366 29.762 -0.708 0.000 1.419 460 H HN 0.020 nan 8.280 nan 0.000 0.489 461 L N 4.136 125.160 121.223 -0.333 0.000 2.319 461 L HA 0.163 4.504 4.340 0.002 0.000 0.280 461 L C 0.968 177.589 176.870 -0.417 0.000 1.099 461 L CA -0.413 54.282 54.840 -0.242 0.000 0.828 461 L CB 0.476 42.463 42.059 -0.118 0.000 1.150 461 L HN 0.633 nan 8.230 nan 0.000 0.442 462 D N 2.533 122.856 120.400 -0.129 0.000 2.478 462 D HA -0.068 4.573 4.640 0.002 0.000 0.234 462 D C 1.132 177.422 176.300 -0.018 0.000 1.154 462 D CA 0.770 54.785 54.000 0.025 0.000 0.874 462 D CB 1.672 42.557 40.800 0.141 0.000 1.198 462 D HN 0.712 nan 8.370 nan 0.000 0.455 463 G N 3.352 112.196 108.800 0.072 0.000 2.446 463 G HA2 -0.209 3.752 3.960 0.002 0.000 0.217 463 G HA3 -0.209 3.752 3.960 0.002 0.000 0.217 463 G C 1.669 176.598 174.900 0.049 0.000 1.168 463 G CA 1.565 46.707 45.100 0.071 0.000 0.771 463 G HN 0.698 nan 8.290 nan 0.000 0.551 464 I N -1.311 119.292 120.570 0.056 0.000 2.731 464 I HA 0.086 4.257 4.170 0.002 0.000 0.235 464 I C 2.783 178.908 176.117 0.014 0.000 1.064 464 I CA 1.553 62.872 61.300 0.032 0.000 1.439 464 I CB -1.309 36.711 38.000 0.032 0.000 1.255 464 I HN 0.138 nan 8.210 nan 0.000 0.446 465 T N -0.016 114.544 114.554 0.009 0.000 2.918 465 T HA -0.064 4.287 4.350 0.002 0.000 0.271 465 T C 1.743 176.438 174.700 -0.009 0.000 1.104 465 T CA 1.389 63.485 62.100 -0.007 0.000 1.114 465 T CB -1.096 67.758 68.868 -0.023 0.000 0.855 465 T HN 0.985 nan 8.240 nan 0.000 0.518 466 G N 0.405 109.201 108.800 -0.007 0.000 2.186 466 G HA2 -0.157 3.804 3.960 0.002 0.000 0.266 466 G HA3 -0.157 3.804 3.960 0.002 0.000 0.266 466 G C 0.216 175.102 174.900 -0.023 0.000 0.982 466 G CA 1.008 46.096 45.100 -0.020 0.000 0.670 466 G HN 1.192 nan 8.290 nan 0.000 0.533 467 K N 0.186 120.577 120.400 -0.015 0.000 2.118 467 K HA 0.796 5.117 4.320 0.002 0.000 0.267 467 K C -1.945 174.664 176.600 0.016 0.000 0.991 467 K CA -1.445 54.834 56.287 -0.012 0.000 0.916 467 K CB 0.436 32.921 32.500 -0.024 0.000 1.041 467 K HN 0.151 nan 8.250 nan 0.000 0.455 468 P HA 0.025 nan 4.420 nan 0.000 0.265 468 P C -0.576 176.816 177.300 0.153 0.000 1.187 468 P CA -0.157 62.979 63.100 0.061 0.000 0.766 468 P CB 0.269 31.976 31.700 0.011 0.000 0.820 469 W N 2.142 123.404 121.300 -0.064 0.000 2.030 469 W HA 0.496 5.157 4.660 0.002 0.000 0.412 469 W C -0.059 176.468 176.519 0.013 0.000 1.715 469 W CA 0.103 57.450 57.345 0.003 0.000 1.895 469 W CB 0.246 29.755 29.460 0.083 0.000 1.381 469 W HN 0.020 nan 8.180 nan 0.000 0.717 470 V N 1.021 121.104 119.914 0.283 0.000 2.735 470 V HA 0.371 4.492 4.120 0.002 0.000 0.310 470 V C -0.787 175.430 176.094 0.206 0.000 1.061 470 V CA -0.871 61.529 62.300 0.166 0.000 0.913 470 V CB 1.613 33.479 31.823 0.073 0.000 1.005 470 V HN 0.500 nan 8.190 nan 0.000 0.428 471 Q N 3.781 123.673 119.800 0.153 0.000 2.214 471 Q HA 0.790 5.131 4.340 0.002 0.000 0.251 471 Q C -0.633 175.419 176.000 0.087 0.000 0.936 471 Q CA -0.362 55.517 55.803 0.128 0.000 0.894 471 Q CB 1.834 30.647 28.738 0.125 0.000 1.252 471 Q HN 0.998 nan 8.270 nan 0.000 0.448 472 A N 2.430 125.280 122.820 0.049 0.000 2.466 472 A HA 0.592 4.913 4.320 0.002 0.000 0.291 472 A C -0.304 177.287 177.584 0.012 0.000 1.234 472 A CA -0.315 51.741 52.037 0.033 0.000 0.752 472 A CB 0.801 19.811 19.000 0.016 0.000 1.153 472 A HN 0.737 nan 8.150 nan 0.000 0.458 473 G N 1.905 110.739 108.800 0.057 0.000 2.350 473 G HA2 0.521 4.482 3.960 0.002 0.000 0.306 473 G HA3 0.521 4.482 3.960 0.002 0.000 0.306 473 G C -0.609 174.360 174.900 0.116 0.000 1.094 473 G CA -0.078 45.069 45.100 0.079 0.000 0.953 473 G HN 0.465 nan 8.290 nan 0.000 0.420 474 I N 1.520 122.170 120.570 0.134 0.000 2.441 474 I HA 0.632 4.803 4.170 0.002 0.000 0.295 474 I C 0.311 176.638 176.117 0.350 0.000 0.994 474 I CA -0.686 60.754 61.300 0.234 0.000 1.144 474 I CB 1.877 40.048 38.000 0.284 0.000 1.314 474 I HN 0.594 nan 8.210 nan 0.000 0.445 475 D N 3.361 123.933 120.400 0.286 0.000 2.661 475 D HA 0.846 5.487 4.640 0.002 0.000 0.228 475 D C -0.770 175.562 176.300 0.052 0.000 1.183 475 D CA -0.618 53.528 54.000 0.244 0.000 0.844 475 D CB 1.811 42.732 40.800 0.202 0.000 1.555 475 D HN 0.889 nan 8.370 nan 0.000 0.453 476 A N 0.894 123.692 122.820 -0.036 0.000 2.354 476 A HA 0.592 4.913 4.320 0.002 0.000 0.281 476 A C 0.527 178.085 177.584 -0.043 0.000 1.174 476 A CA -0.176 51.757 52.037 -0.173 0.000 0.828 476 A CB -0.034 18.839 19.000 -0.212 0.000 1.099 476 A HN 0.621 nan 8.150 nan 0.000 0.516 477 S N 1.723 117.392 115.700 -0.051 0.000 2.481 477 S HA 0.429 4.900 4.470 0.002 0.000 0.276 477 S C 1.383 175.985 174.600 0.003 0.000 1.247 477 S CA 0.601 58.799 58.200 -0.004 0.000 1.053 477 S CB 0.648 63.846 63.200 -0.003 0.000 0.925 477 S HN 2.003 nan 8.310 nan 0.000 0.491 478 G N 2.638 111.456 108.800 0.029 0.000 2.309 478 G HA2 -0.288 3.673 3.960 0.002 0.000 0.286 478 G HA3 -0.288 3.673 3.960 0.002 0.000 0.286 478 G C 0.774 175.696 174.900 0.038 0.000 1.002 478 G CA 0.489 45.611 45.100 0.037 0.000 0.786 478 G HN 0.704 nan 8.290 nan 0.000 0.511 479 L N -0.287 120.957 121.223 0.035 0.000 2.211 479 L HA -0.014 4.327 4.340 0.002 0.000 0.216 479 L C 2.568 179.482 176.870 0.072 0.000 1.092 479 L CA 3.508 58.376 54.840 0.046 0.000 0.767 479 L CB -0.934 41.159 42.059 0.057 0.000 0.894 479 L HN 0.735 nan 8.230 nan 0.000 0.437 480 E N -1.105 119.139 120.200 0.074 0.000 1.999 480 E HA -0.058 4.293 4.350 0.002 0.000 0.194 480 E C 2.450 179.103 176.600 0.089 0.000 0.995 480 E CA 2.356 58.805 56.400 0.081 0.000 0.825 480 E CB -1.503 28.239 29.700 0.070 0.000 0.777 480 E HN 0.549 nan 8.360 nan 0.000 0.459 481 L N 1.292 122.561 121.223 0.078 0.000 2.137 481 L HA -0.197 4.144 4.340 0.002 0.000 0.213 481 L C 2.665 179.587 176.870 0.086 0.000 1.085 481 L CA 3.002 57.888 54.840 0.078 0.000 0.760 481 L CB -1.571 40.510 42.059 0.037 0.000 0.893 481 L HN 0.502 nan 8.230 nan 0.000 0.434 482 R N -1.173 119.373 120.500 0.076 0.000 2.075 482 R HA -0.118 4.223 4.340 0.002 0.000 0.232 482 R C 2.372 178.752 176.300 0.132 0.000 1.126 482 R CA 1.423 57.572 56.100 0.081 0.000 0.963 482 R CB -0.969 29.361 30.300 0.050 0.000 0.858 482 R HN 0.689 nan 8.270 nan 0.000 0.435 483 C N 1.070 120.463 119.300 0.155 0.000 2.409 483 C HA -0.079 4.382 4.460 0.002 0.000 0.284 483 C C 2.591 177.812 174.990 0.386 0.000 1.354 483 C CA 0.353 59.528 59.018 0.261 0.000 1.787 483 C CB -1.001 26.893 27.740 0.256 0.000 1.900 483 C HN 0.411 nan 8.230 nan 0.000 0.520 484 L N 1.596 122.970 121.223 0.252 0.000 2.068 484 L HA 0.134 4.474 4.340 0.002 0.000 0.204 484 L C 2.551 179.555 176.870 0.223 0.000 1.076 484 L CA 2.272 57.255 54.840 0.238 0.000 0.753 484 L CB -1.173 40.987 42.059 0.168 0.000 0.910 484 L HN 0.210 nan 8.230 nan 0.000 0.439 485 A N -0.406 122.513 122.820 0.165 0.000 1.852 485 A HA -0.399 3.922 4.320 0.002 0.000 0.217 485 A C 2.283 179.933 177.584 0.109 0.000 1.215 485 A CA 2.325 54.434 52.037 0.120 0.000 0.641 485 A CB -1.545 17.509 19.000 0.091 0.000 0.838 485 A HN 0.788 nan 8.150 nan 0.000 0.450 486 H N -1.343 117.736 119.070 0.014 0.000 2.260 486 H HA -0.249 4.308 4.556 0.002 0.000 0.288 486 H C 1.654 176.924 175.328 -0.097 0.000 1.094 486 H CA 2.717 58.709 56.048 -0.094 0.000 1.197 486 H CB -0.705 28.930 29.762 -0.212 0.000 1.346 486 H HN 0.396 nan 8.280 nan 0.000 0.486 487 F N 0.414 120.312 119.950 -0.087 0.000 2.202 487 F HA -0.194 4.334 4.527 0.002 0.000 0.301 487 F C 2.452 178.237 175.800 -0.025 0.000 1.082 487 F CA 1.672 59.606 58.000 -0.110 0.000 1.313 487 F CB -0.414 38.626 39.000 0.065 0.000 1.024 487 F HN 0.438 nan 8.300 nan 0.000 0.495 488 M N -1.683 118.045 119.600 0.214 0.000 2.551 488 M HA 0.514 4.995 4.480 0.002 0.000 0.252 488 M C 1.162 177.563 176.300 0.169 0.000 1.219 488 M CA 0.400 55.868 55.300 0.279 0.000 0.978 488 M CB -0.032 32.698 32.600 0.217 0.000 1.533 488 M HN -0.059 nan 8.290 nan 0.000 0.474 489 A N 1.477 124.291 122.820 -0.009 0.000 2.030 489 A HA 0.059 4.379 4.320 0.002 0.000 0.215 489 A C 2.178 179.670 177.584 -0.152 0.000 1.164 489 A CA 0.477 52.473 52.037 -0.068 0.000 0.697 489 A CB -0.388 18.539 19.000 -0.122 0.000 0.827 489 A HN 0.704 nan 8.150 nan 0.000 0.457 490 R N -1.690 118.620 120.500 -0.316 0.000 2.369 490 R HA 0.022 4.363 4.340 0.002 0.000 0.200 490 R C 0.158 175.963 176.300 -0.825 0.000 1.046 490 R CA 1.137 56.895 56.100 -0.569 0.000 1.057 490 R CB -0.254 29.611 30.300 -0.726 0.000 0.888 490 R HN 0.458 nan 8.270 nan 0.000 0.474 491 F N -2.474 117.457 119.950 -0.031 0.000 2.411 491 F HA 0.242 4.770 4.527 0.002 0.000 0.286 491 F C 2.266 178.053 175.800 -0.021 0.000 0.858 491 F CA 0.472 58.459 58.000 -0.021 0.000 1.080 491 F CB -0.305 38.686 39.000 -0.015 0.000 0.961 491 F HN 0.142 nan 8.300 nan 0.000 0.742 492 D N 0.250 120.746 120.400 0.159 0.000 2.323 492 D HA 0.126 4.767 4.640 0.002 0.000 0.209 492 D C 1.242 177.561 176.300 0.032 0.000 0.973 492 D CA 0.991 55.040 54.000 0.081 0.000 0.874 492 D CB -1.406 39.436 40.800 0.070 0.000 0.930 492 D HN 0.484 nan 8.370 nan 0.000 0.521 493 N N -1.694 117.007 118.700 0.000 0.000 2.727 493 N HA 0.190 4.931 4.740 0.002 0.000 0.249 493 N C 1.848 177.350 175.510 -0.013 0.000 1.048 493 N CA 1.376 54.412 53.050 -0.024 0.000 0.714 493 N CB -2.329 36.147 38.487 -0.018 0.000 0.959 493 N HN 2.022 nan 8.380 nan 0.000 0.544 494 G N -4.156 104.638 108.800 -0.009 0.000 2.179 494 G HA2 0.226 4.187 3.960 0.002 0.000 0.220 494 G HA3 0.226 4.187 3.960 0.002 0.000 0.220 494 G C 1.003 175.909 174.900 0.011 0.000 0.990 494 G CA 1.658 46.758 45.100 -0.001 0.000 0.646 494 G HN 2.188 nan 8.290 nan 0.000 0.517 495 E N -0.649 119.561 120.200 0.017 0.000 1.995 495 E HA -0.037 4.314 4.350 0.002 0.000 0.207 495 E C 2.956 179.571 176.600 0.024 0.000 1.016 495 E CA 3.583 59.996 56.400 0.021 0.000 0.865 495 E CB -1.404 28.312 29.700 0.027 0.000 0.797 495 E HN 1.958 nan 8.360 nan 0.000 0.491 496 Y N 0.259 120.579 120.300 0.033 0.000 2.207 496 Y HA 0.144 4.695 4.550 0.002 0.000 0.287 496 Y C 3.124 179.041 175.900 0.030 0.000 1.156 496 Y CA 2.803 60.925 58.100 0.036 0.000 1.182 496 Y CB -1.406 37.087 38.460 0.054 0.000 0.979 496 Y HN 0.669 nan 8.280 nan 0.000 0.521 497 A N -0.143 122.696 122.820 0.032 0.000 1.869 497 A HA -0.259 4.062 4.320 0.002 0.000 0.218 497 A C 2.115 179.709 177.584 0.018 0.000 1.203 497 A CA 3.949 56.002 52.037 0.028 0.000 0.638 497 A CB -1.933 17.081 19.000 0.023 0.000 0.831 497 A HN 1.485 nan 8.150 nan 0.000 0.450 498 H N -2.449 116.629 119.070 0.014 0.000 2.326 498 H HA 0.100 4.657 4.556 0.002 0.000 0.301 498 H C 2.382 177.715 175.328 0.009 0.000 1.081 498 H CA 2.971 59.026 56.048 0.010 0.000 1.334 498 H CB -1.251 28.516 29.762 0.009 0.000 1.385 498 H HN 0.831 nan 8.280 nan 0.000 0.504 499 E N 0.330 120.537 120.200 0.012 0.000 2.033 499 E HA -0.096 4.255 4.350 0.002 0.000 0.199 499 E C 2.736 179.335 176.600 -0.001 0.000 1.011 499 E CA 2.997 59.403 56.400 0.009 0.000 0.815 499 E CB -1.572 28.137 29.700 0.015 0.000 0.755 499 E HN 1.401 nan 8.360 nan 0.000 0.451 500 I N 0.236 120.803 120.570 -0.005 0.000 2.399 500 I HA 0.208 4.379 4.170 0.002 0.000 0.254 500 I C 2.962 179.072 176.117 -0.013 0.000 1.146 500 I CA 3.469 64.757 61.300 -0.021 0.000 1.412 500 I CB -1.523 36.470 38.000 -0.011 0.000 1.076 500 I HN 0.846 nan 8.210 nan 0.000 0.432 501 L N -0.840 120.382 121.223 -0.002 0.000 2.590 501 L HA 0.447 4.788 4.340 0.002 0.000 0.181 501 L C 2.293 179.165 176.870 0.004 0.000 1.134 501 L CA 1.357 56.198 54.840 0.001 0.000 0.850 501 L CB -1.740 40.320 42.059 0.003 0.000 1.172 501 L HN 0.745 nan 8.230 nan 0.000 0.498 502 N N -0.079 118.625 118.700 0.006 0.000 2.485 502 N HA 0.443 5.184 4.740 0.002 0.000 0.199 502 N C 1.042 176.558 175.510 0.009 0.000 1.236 502 N CA 1.490 54.544 53.050 0.007 0.000 0.852 502 N CB -0.155 38.336 38.487 0.007 0.000 1.018 502 N HN 1.253 nan 8.380 nan 0.000 0.457 503 G N -1.281 107.525 108.800 0.009 0.000 3.349 503 G HA2 0.416 4.377 3.960 0.002 0.000 0.155 503 G HA3 0.416 4.377 3.960 0.002 0.000 0.155 503 G C -1.770 173.137 174.900 0.013 0.000 1.219 503 G CA 0.388 45.496 45.100 0.012 0.000 1.356 503 G HN 0.424 nan 8.290 nan 0.000 0.687 504 D N -1.559 118.849 120.400 0.014 0.000 2.732 504 D HA 0.615 5.256 4.640 0.002 0.000 0.229 504 D C 0.331 176.632 176.300 0.001 0.000 1.152 504 D CA -0.569 53.440 54.000 0.014 0.000 0.854 504 D CB 2.515 43.336 40.800 0.035 0.000 1.590 504 D HN 0.243 nan 8.370 nan 0.000 0.468 505 I N 1.530 122.077 120.570 -0.039 0.000 3.366 505 I HA 0.119 4.290 4.170 0.002 0.000 0.267 505 I C 1.551 177.649 176.117 -0.031 0.000 1.149 505 I CA 0.759 62.014 61.300 -0.074 0.000 1.436 505 I CB -0.164 37.723 38.000 -0.188 0.000 1.379 505 I HN 0.515 nan 8.210 nan 0.000 0.460 506 H N 0.828 119.933 119.070 0.058 0.000 2.319 506 H HA -0.144 4.413 4.556 0.002 0.000 0.299 506 H C 2.240 177.606 175.328 0.063 0.000 1.092 506 H CA 2.360 58.444 56.048 0.059 0.000 1.302 506 H CB -1.137 28.651 29.762 0.045 0.000 1.373 506 H HN 0.481 nan 8.280 nan 0.000 0.497 507 T N -1.044 113.614 114.554 0.173 0.000 2.759 507 T HA -0.168 4.183 4.350 0.002 0.000 0.269 507 T C 2.256 177.021 174.700 0.109 0.000 1.042 507 T CA 2.383 64.552 62.100 0.116 0.000 1.140 507 T CB -0.384 68.532 68.868 0.081 0.000 0.864 507 T HN 0.474 nan 8.240 nan 0.000 0.455 508 K N 2.104 122.566 120.400 0.104 0.000 2.097 508 K HA -0.086 4.235 4.320 0.002 0.000 0.206 508 K C 2.237 178.928 176.600 0.152 0.000 1.049 508 K CA 1.685 58.033 56.287 0.101 0.000 0.933 508 K CB -1.210 31.337 32.500 0.079 0.000 0.717 508 K HN 0.597 nan 8.250 nan 0.000 0.442 509 N N 0.273 119.091 118.700 0.196 0.000 2.080 509 N HA -0.178 4.563 4.740 0.002 0.000 0.189 509 N C 2.061 177.715 175.510 0.239 0.000 1.036 509 N CA 1.532 54.754 53.050 0.287 0.000 0.846 509 N CB -0.502 38.148 38.487 0.271 0.000 1.015 509 N HN 0.703 nan 8.380 nan 0.000 0.423 510 Q N 0.540 120.440 119.800 0.167 0.000 2.217 510 Q HA -0.116 4.225 4.340 0.002 0.000 0.209 510 Q C 1.802 177.855 176.000 0.089 0.000 0.988 510 Q CA 1.254 57.118 55.803 0.102 0.000 0.878 510 Q CB -0.040 28.742 28.738 0.074 0.000 0.909 510 Q HN 0.409 nan 8.270 nan 0.000 0.424 511 I N -0.252 120.381 120.570 0.104 0.000 2.585 511 I HA -0.098 4.073 4.170 0.002 0.000 0.254 511 I C 2.392 178.575 176.117 0.111 0.000 1.129 511 I CA 0.483 61.832 61.300 0.083 0.000 1.455 511 I CB -0.428 37.613 38.000 0.067 0.000 1.111 511 I HN 0.241 nan 8.210 nan 0.000 0.433 512 A N 1.452 124.375 122.820 0.171 0.000 1.863 512 A HA -0.141 4.180 4.320 0.002 0.000 0.218 512 A C 1.575 179.314 177.584 0.258 0.000 1.233 512 A CA 1.840 54.008 52.037 0.218 0.000 0.655 512 A CB -1.004 18.223 19.000 0.378 0.000 0.839 512 A HN 0.376 nan 8.150 nan 0.000 0.454 513 A N 0.107 123.148 122.820 0.368 0.000 2.328 513 A HA 0.465 4.786 4.320 0.002 0.000 0.284 513 A C -0.070 177.538 177.584 0.040 0.000 1.160 513 A CA -0.478 51.691 52.037 0.220 0.000 0.818 513 A CB 0.208 19.282 19.000 0.123 0.000 1.087 513 A HN 0.376 nan 8.150 nan 0.000 0.504 514 E N 0.980 121.180 120.200 -0.001 0.000 1.909 514 E HA 0.254 4.605 4.350 0.002 0.000 0.253 514 E C 0.001 176.554 176.600 -0.078 0.000 1.268 514 E CA 0.475 56.860 56.400 -0.026 0.000 0.999 514 E CB -0.361 29.326 29.700 -0.022 0.000 1.072 514 E HN 0.669 nan 8.360 nan 0.000 0.428 515 L N 3.143 124.325 121.223 -0.069 0.000 2.301 515 L HA 0.589 4.930 4.340 0.002 0.000 0.264 515 L C -1.399 175.439 176.870 -0.054 0.000 1.016 515 L CA -1.279 53.503 54.840 -0.097 0.000 0.821 515 L CB 0.661 42.641 42.059 -0.132 0.000 1.346 515 L HN 0.188 nan 8.230 nan 0.000 0.429 516 P HA 0.106 nan 4.420 nan 0.000 0.209 516 P C 0.662 177.947 177.300 -0.025 0.000 1.196 516 P CA 1.017 64.095 63.100 -0.035 0.000 0.906 516 P CB 0.430 32.107 31.700 -0.039 0.000 0.754 517 T N -0.806 113.730 114.554 -0.030 0.000 2.928 517 T HA 0.226 4.577 4.350 0.002 0.000 0.284 517 T C 1.253 175.940 174.700 -0.022 0.000 1.008 517 T CA -0.606 61.481 62.100 -0.022 0.000 1.057 517 T CB 1.230 70.084 68.868 -0.024 0.000 1.018 517 T HN -0.039 nan 8.240 nan 0.000 0.493 518 R N 2.080 122.573 120.500 -0.013 0.000 2.070 518 R HA -0.073 4.268 4.340 0.002 0.000 0.233 518 R C 2.326 178.590 176.300 -0.060 0.000 1.137 518 R CA 2.519 58.612 56.100 -0.012 0.000 0.945 518 R CB -1.033 29.272 30.300 0.008 0.000 0.845 518 R HN 0.914 nan 8.270 nan 0.000 0.430 519 D N -0.719 119.643 120.400 -0.063 0.000 2.239 519 D HA -0.247 4.394 4.640 0.002 0.000 0.202 519 D C 1.664 177.915 176.300 -0.081 0.000 0.993 519 D CA 1.797 55.744 54.000 -0.087 0.000 0.874 519 D CB -1.363 39.405 40.800 -0.053 0.000 0.922 519 D HN 0.717 nan 8.370 nan 0.000 0.464 520 N N 0.089 118.754 118.700 -0.058 0.000 2.171 520 N HA 0.246 4.987 4.740 0.002 0.000 0.184 520 N C 2.526 178.019 175.510 -0.029 0.000 1.021 520 N CA 2.071 55.093 53.050 -0.048 0.000 0.854 520 N CB -0.727 37.725 38.487 -0.059 0.000 0.994 520 N HN 0.799 nan 8.380 nan 0.000 0.426 521 A N 0.376 123.180 122.820 -0.027 0.000 1.972 521 A HA 0.120 4.441 4.320 0.002 0.000 0.219 521 A C 2.585 180.156 177.584 -0.023 0.000 1.169 521 A CA 2.597 54.656 52.037 0.036 0.000 0.635 521 A CB -0.974 18.064 19.000 0.063 0.000 0.810 521 A HN 0.847 nan 8.150 nan 0.000 0.446 522 K N -0.962 119.314 120.400 -0.206 0.000 2.209 522 K HA -0.069 4.251 4.320 0.002 0.000 0.204 522 K C 1.974 178.499 176.600 -0.125 0.000 1.048 522 K CA 2.203 58.253 56.287 -0.395 0.000 0.940 522 K CB -1.364 30.827 32.500 -0.515 0.000 0.729 522 K HN 0.529 nan 8.250 nan 0.000 0.451 523 T N -0.383 114.138 114.554 -0.055 0.000 2.866 523 T HA 0.079 4.430 4.350 0.002 0.000 0.250 523 T C 1.588 176.311 174.700 0.039 0.000 1.033 523 T CA 0.725 62.824 62.100 -0.003 0.000 1.145 523 T CB -0.352 68.519 68.868 0.005 0.000 0.866 523 T HN 0.429 nan 8.240 nan 0.000 0.434 524 F N 1.973 121.837 119.950 -0.142 0.000 2.087 524 F HA -0.167 4.361 4.527 0.002 0.000 0.299 524 F C 1.878 177.512 175.800 -0.277 0.000 1.100 524 F CA 0.848 58.714 58.000 -0.222 0.000 1.226 524 F CB -0.754 38.062 39.000 -0.306 0.000 0.983 524 F HN 0.068 nan 8.300 nan 0.000 0.479 525 I N -0.221 120.133 120.570 -0.360 0.000 2.130 525 I HA -0.144 4.027 4.170 0.002 0.000 0.234 525 I C 2.839 178.901 176.117 -0.091 0.000 1.067 525 I CA 2.080 63.139 61.300 -0.402 0.000 1.339 525 I CB -1.468 36.450 38.000 -0.137 0.000 1.073 525 I HN 0.224 nan 8.210 nan 0.000 0.405 526 Y N 0.122 120.425 120.300 0.005 0.000 2.738 526 Y HA 0.236 4.787 4.550 0.002 0.000 0.293 526 Y C 1.456 177.377 175.900 0.034 0.000 1.156 526 Y CA 0.521 58.648 58.100 0.045 0.000 1.410 526 Y CB -1.653 36.841 38.460 0.056 0.000 0.966 526 Y HN 0.342 nan 8.280 nan 0.000 0.568 527 G N -0.973 107.842 108.800 0.025 0.000 4.713 527 G HA2 0.488 4.449 3.960 0.002 0.000 0.318 527 G HA3 0.488 4.449 3.960 0.002 0.000 0.318 527 G C -0.754 174.225 174.900 0.132 0.000 1.435 527 G CA 0.078 45.210 45.100 0.053 0.000 0.965 527 G HN 1.109 nan 8.290 nan 0.000 0.542 537 I N 0.752 121.371 120.570 0.082 0.000 2.260 537 I HA 0.415 4.586 4.170 0.002 0.000 0.237 537 I C 2.682 178.814 176.117 0.024 0.000 1.075 537 I CA 2.114 63.468 61.300 0.091 0.000 1.376 537 I CB -1.409 36.680 38.000 0.149 0.000 1.107 537 I HN 0.540 nan 8.210 nan 0.000 0.420 538 G N -0.226 108.583 108.800 0.015 0.000 2.529 538 G HA2 -0.331 3.630 3.960 0.002 0.000 0.219 538 G HA3 -0.331 3.630 3.960 0.002 0.000 0.219 538 G C 1.756 176.646 174.900 -0.015 0.000 1.177 538 G CA 3.136 48.226 45.100 -0.016 0.000 0.773 538 G HN 1.173 nan 8.290 nan 0.000 0.573 539 Q N -0.096 119.707 119.800 0.005 0.000 2.062 539 Q HA -0.081 4.260 4.340 0.002 0.000 0.209 539 Q C 3.072 179.070 176.000 -0.003 0.000 0.996 539 Q CA 3.533 59.339 55.803 0.005 0.000 0.859 539 Q CB -1.472 27.277 28.738 0.018 0.000 0.920 539 Q HN 1.370 nan 8.270 nan 0.000 0.415 540 I N -0.240 120.331 120.570 0.002 0.000 2.597 540 I HA 0.191 4.362 4.170 0.002 0.000 0.262 540 I C 2.596 178.693 176.117 -0.032 0.000 1.194 540 I CA 2.572 63.870 61.300 -0.004 0.000 1.437 540 I CB -1.659 36.351 38.000 0.017 0.000 1.096 540 I HN 0.849 nan 8.210 nan 0.000 0.451 541 V N -1.543 118.340 119.914 -0.052 0.000 3.523 541 V HA 0.598 4.719 4.120 0.002 0.000 0.255 541 V C 1.938 178.001 176.094 -0.052 0.000 1.226 541 V CA 1.850 64.105 62.300 -0.075 0.000 1.092 541 V CB 0.241 31.990 31.823 -0.124 0.000 0.817 541 V HN 1.315 nan 8.190 nan 0.000 0.458 542 G N -1.238 107.541 108.800 -0.036 0.000 4.386 542 G HA2 0.344 4.305 3.960 0.002 0.000 0.185 542 G HA3 0.344 4.305 3.960 0.002 0.000 0.185 542 G C 0.956 175.846 174.900 -0.016 0.000 1.725 542 G CA 0.627 45.713 45.100 -0.024 0.000 0.941 542 G HN 1.536 nan 8.290 nan 0.000 0.315 543 A N 0.059 122.867 122.820 -0.020 0.000 2.550 543 A HA 0.571 4.892 4.320 0.002 0.000 0.238 543 A C 1.803 179.385 177.584 -0.004 0.000 1.783 543 A CA 2.133 54.163 52.037 -0.012 0.000 0.940 543 A CB -0.594 18.396 19.000 -0.017 0.000 1.597 543 A HN 2.036 nan 8.150 nan 0.000 0.713 544 G N -4.673 104.128 108.800 0.001 0.000 3.668 544 G HA2 0.531 4.492 3.960 0.002 0.000 0.185 544 G HA3 0.531 4.492 3.960 0.002 0.000 0.185 544 G C 0.411 175.320 174.900 0.015 0.000 1.159 544 G CA 1.379 46.486 45.100 0.010 0.000 0.875 544 G HN 1.224 nan 8.290 nan 0.000 0.689 545 K N -0.812 119.595 120.400 0.011 0.000 2.997 545 K HA 0.716 5.037 4.320 0.002 0.000 0.259 545 K C 1.937 178.545 176.600 0.013 0.000 2.334 545 K CA 1.719 58.015 56.287 0.016 0.000 1.377 545 K CB -0.801 31.709 32.500 0.015 0.000 2.602 545 K HN 0.536 nan 8.250 nan 0.000 0.425 546 E N 0.850 121.054 120.200 0.007 0.000 2.035 546 E HA -0.240 4.111 4.350 0.002 0.000 0.204 546 E C 2.506 179.104 176.600 -0.003 0.000 1.025 546 E CA 3.870 60.272 56.400 0.004 0.000 0.835 546 E CB -1.533 28.167 29.700 0.000 0.000 0.764 546 E HN 0.987 nan 8.360 nan 0.000 0.457 547 R N 0.332 120.823 120.500 -0.015 0.000 2.127 547 R HA 0.108 4.449 4.340 0.002 0.000 0.238 547 R C 2.932 179.205 176.300 -0.045 0.000 1.134 547 R CA 2.105 58.185 56.100 -0.034 0.000 0.975 547 R CB -1.754 28.519 30.300 -0.046 0.000 0.865 547 R HN 0.703 nan 8.270 nan 0.000 0.447 548 G N 0.211 108.996 108.800 -0.025 0.000 2.434 548 G HA2 0.030 3.991 3.960 0.002 0.000 0.214 548 G HA3 0.030 3.991 3.960 0.002 0.000 0.214 548 G C 1.738 176.656 174.900 0.030 0.000 1.202 548 G CA 1.226 46.320 45.100 -0.010 0.000 0.788 548 G HN 0.820 nan 8.290 nan 0.000 0.539 549 K N 0.509 120.933 120.400 0.041 0.000 3.025 549 K HA 0.591 4.912 4.320 0.002 0.000 0.260 549 K C 1.207 177.835 176.600 0.047 0.000 1.023 549 K CA 1.412 57.735 56.287 0.060 0.000 1.194 549 K CB -1.007 31.522 32.500 0.048 0.000 1.094 549 K HN 0.676 nan 8.250 nan 0.000 0.460 550 E N -0.518 119.702 120.200 0.034 0.000 2.614 550 E HA 0.252 4.603 4.350 0.002 0.000 0.201 550 E C 1.800 178.415 176.600 0.024 0.000 0.889 550 E CA 0.453 56.867 56.400 0.023 0.000 1.564 550 E CB -0.315 29.384 29.700 -0.001 0.000 1.623 550 E HN 0.306 nan 8.360 nan 0.000 0.898 551 L N 0.628 121.844 121.223 -0.012 0.000 2.027 551 L HA -0.013 4.328 4.340 0.002 0.000 0.206 551 L C 3.345 180.301 176.870 0.143 0.000 1.074 551 L CA 2.060 56.860 54.840 -0.066 0.000 0.745 551 L CB -0.537 41.308 42.059 -0.358 0.000 0.898 551 L HN 0.466 nan 8.230 nan 0.000 0.433 552 K N 0.905 121.446 120.400 0.235 0.000 2.160 552 K HA -0.249 4.072 4.320 0.002 0.000 0.206 552 K C 2.304 179.083 176.600 0.299 0.000 1.047 552 K CA 2.226 58.740 56.287 0.378 0.000 0.930 552 K CB -1.363 31.338 32.500 0.335 0.000 0.720 552 K HN 0.477 nan 8.250 nan 0.000 0.450 553 K N 0.249 120.758 120.400 0.182 0.000 1.973 553 K HA 0.016 4.337 4.320 0.002 0.000 0.210 553 K C 2.772 179.439 176.600 0.111 0.000 1.045 553 K CA 2.375 58.734 56.287 0.121 0.000 0.937 553 K CB -1.523 31.021 32.500 0.074 0.000 0.721 553 K HN 0.733 nan 8.250 nan 0.000 0.438 554 K N 0.241 120.704 120.400 0.105 0.000 2.211 554 K HA 0.011 4.332 4.320 0.002 0.000 0.204 554 K C 2.049 178.732 176.600 0.139 0.000 1.047 554 K CA 1.749 58.089 56.287 0.089 0.000 0.935 554 K CB -0.909 31.628 32.500 0.061 0.000 0.728 554 K HN 0.557 nan 8.250 nan 0.000 0.452 555 F N 0.905 120.901 119.950 0.078 0.000 2.118 555 F HA 0.220 4.748 4.527 0.002 0.000 0.293 555 F C 2.128 177.973 175.800 0.075 0.000 1.102 555 F CA 1.331 59.398 58.000 0.112 0.000 1.247 555 F CB -0.043 39.106 39.000 0.250 0.000 1.017 555 F HN 0.080 nan 8.300 nan 0.000 0.475 556 L N 0.144 121.341 121.223 -0.043 0.000 2.777 556 L HA 0.600 4.941 4.340 0.002 0.000 0.244 556 L C 1.160 177.980 176.870 -0.082 0.000 1.235 556 L CA 1.160 55.920 54.840 -0.133 0.000 1.062 556 L CB -2.083 40.040 42.059 0.106 0.000 1.340 556 L HN 0.497 nan 8.230 nan 0.000 0.439 557 E N -1.633 118.515 120.200 -0.087 0.000 2.571 557 E HA 0.165 4.516 4.350 0.002 0.000 0.204 557 E C 1.726 178.287 176.600 -0.065 0.000 0.851 557 E CA 0.979 57.349 56.400 -0.049 0.000 1.358 557 E CB -0.458 29.239 29.700 -0.005 0.000 1.327 557 E HN 0.900 nan 8.360 nan 0.000 0.665 558 N N 0.280 118.935 118.700 -0.075 0.000 2.336 558 N HA 0.412 5.153 4.740 0.002 0.000 0.189 558 N C 1.044 176.490 175.510 -0.107 0.000 1.113 558 N CA 1.117 54.131 53.050 -0.059 0.000 0.858 558 N CB 0.394 38.874 38.487 -0.012 0.000 0.970 558 N HN 0.813 nan 8.380 nan 0.000 0.471 559 T N 0.481 114.914 114.554 -0.203 0.000 3.296 559 T HA 0.492 4.843 4.350 0.002 0.000 0.333 559 T C -1.885 172.686 174.700 -0.215 0.000 1.280 559 T CA -0.982 60.973 62.100 -0.241 0.000 1.558 559 T CB 0.643 69.241 68.868 -0.451 0.000 0.929 559 T HN -0.012 nan 8.240 nan 0.000 0.596 560 P HA -0.001 nan 4.420 nan 0.000 0.226 560 P C 1.652 178.873 177.300 -0.132 0.000 1.153 560 P CA 1.013 64.044 63.100 -0.116 0.000 0.777 560 P CB 0.257 31.910 31.700 -0.078 0.000 0.794 561 A N 0.598 123.361 122.820 -0.096 0.000 1.877 561 A HA -0.161 4.160 4.320 0.002 0.000 0.216 561 A C 2.111 179.633 177.584 -0.103 0.000 1.186 561 A CA 1.649 53.649 52.037 -0.061 0.000 0.620 561 A CB -1.487 17.530 19.000 0.029 0.000 0.822 561 A HN 0.119 nan 8.150 nan 0.000 0.443 562 I N 0.252 120.774 120.570 -0.080 0.000 2.493 562 I HA -0.167 4.004 4.170 0.002 0.000 0.254 562 I C 2.713 178.783 176.117 -0.079 0.000 1.160 562 I CA 1.189 62.469 61.300 -0.033 0.000 1.445 562 I CB -0.424 37.597 38.000 0.036 0.000 1.086 562 I HN 0.296 nan 8.210 nan 0.000 0.433 563 A N 0.369 123.115 122.820 -0.124 0.000 1.929 563 A HA 0.029 4.350 4.320 0.002 0.000 0.216 563 A C 2.534 179.987 177.584 -0.218 0.000 1.176 563 A CA 1.456 53.418 52.037 -0.125 0.000 0.628 563 A CB -0.875 18.057 19.000 -0.114 0.000 0.816 563 A HN 0.372 nan 8.150 nan 0.000 0.444 564 A N -0.302 122.305 122.820 -0.355 0.000 1.855 564 A HA 0.009 4.330 4.320 0.002 0.000 0.215 564 A C 2.042 179.154 177.584 -0.786 0.000 1.191 564 A CA 1.650 53.260 52.037 -0.711 0.000 0.613 564 A CB -0.737 17.586 19.000 -1.129 0.000 0.829 564 A HN 0.400 nan 8.150 nan 0.000 0.442 565 L N -0.116 120.765 121.223 -0.569 0.000 1.951 565 L HA -0.242 4.099 4.340 0.002 0.000 0.222 565 L C 2.648 179.434 176.870 -0.141 0.000 1.078 565 L CA 2.293 57.018 54.840 -0.192 0.000 0.778 565 L CB -0.846 41.205 42.059 -0.014 0.000 0.893 565 L HN 0.386 nan 8.230 nan 0.000 0.436 566 R N -0.897 119.528 120.500 -0.126 0.000 2.159 566 R HA -0.299 4.042 4.340 0.002 0.000 0.252 566 R C 2.184 178.429 176.300 -0.090 0.000 1.144 566 R CA 2.260 58.303 56.100 -0.094 0.000 0.961 566 R CB -0.879 29.378 30.300 -0.071 0.000 0.877 566 R HN 0.667 nan 8.270 nan 0.000 0.444 567 E N 0.485 120.611 120.200 -0.124 0.000 2.047 567 E HA -0.137 4.214 4.350 0.002 0.000 0.191 567 E C 2.151 178.706 176.600 -0.076 0.000 0.987 567 E CA 1.559 57.898 56.400 -0.103 0.000 0.799 567 E CB -1.080 28.542 29.700 -0.130 0.000 0.752 567 E HN 0.638 nan 8.360 nan 0.000 0.449 568 S N 0.353 116.004 115.700 -0.080 0.000 2.400 568 S HA -0.022 4.449 4.470 0.002 0.000 0.232 568 S C 2.247 176.856 174.600 0.014 0.000 1.025 568 S CA 1.576 59.787 58.200 0.018 0.000 0.993 568 S CB -0.484 62.818 63.200 0.170 0.000 0.808 568 S HN 0.489 nan 8.310 nan 0.000 0.478 569 I N 0.578 121.140 120.570 -0.013 0.000 2.206 569 I HA -0.159 4.012 4.170 0.002 0.000 0.239 569 I C 3.411 179.512 176.117 -0.027 0.000 1.078 569 I CA 1.182 62.468 61.300 -0.023 0.000 1.367 569 I CB -0.928 37.046 38.000 -0.044 0.000 1.078 569 I HN 0.534 nan 8.210 nan 0.000 0.413 570 Q N 0.869 120.647 119.800 -0.038 0.000 2.173 570 Q HA -0.363 3.978 4.340 0.002 0.000 0.208 570 Q C 2.219 178.189 176.000 -0.051 0.000 0.989 570 Q CA 2.968 58.742 55.803 -0.050 0.000 0.872 570 Q CB -1.785 26.917 28.738 -0.060 0.000 0.909 570 Q HN 0.712 nan 8.270 nan 0.000 0.420 571 Q N -0.242 119.535 119.800 -0.040 0.000 2.170 571 Q HA -0.025 4.316 4.340 0.002 0.000 0.203 571 Q C 1.706 177.686 176.000 -0.032 0.000 0.976 571 Q CA 1.551 57.334 55.803 -0.033 0.000 0.858 571 Q CB -0.570 28.158 28.738 -0.017 0.000 0.907 571 Q HN 0.755 nan 8.270 nan 0.000 0.433 572 T N -0.666 113.870 114.554 -0.031 0.000 3.326 572 T HA 0.591 4.942 4.350 0.002 0.000 0.274 572 T C 0.725 175.393 174.700 -0.053 0.000 1.608 572 T CA 0.567 62.637 62.100 -0.049 0.000 1.433 572 T CB 0.008 68.844 68.868 -0.053 0.000 1.034 572 T HN 1.103 nan 8.240 nan 0.000 0.694 573 L N -0.584 120.629 121.223 -0.016 0.000 1.517 573 L HA 0.338 4.679 4.340 0.002 0.000 0.157 573 L C 0.113 177.033 176.870 0.085 0.000 1.307 573 L CA -0.499 54.396 54.840 0.092 0.000 1.278 573 L CB -0.733 41.433 42.059 0.179 0.000 2.582 573 L HN 0.316 nan 8.230 nan 0.000 0.484 574 V N 1.502 121.376 119.914 -0.067 0.000 2.481 574 V HA 0.949 5.070 4.120 0.002 0.000 0.286 574 V C 0.251 176.271 176.094 -0.122 0.000 1.042 574 V CA 0.341 62.525 62.300 -0.192 0.000 0.928 574 V CB 0.261 31.944 31.823 -0.233 0.000 0.986 574 V HN 1.702 nan 8.190 nan 0.000 0.462 588 W N 0.834 122.124 121.300 -0.017 0.000 2.303 588 W HA 0.523 5.184 4.660 0.002 0.000 0.334 588 W C 1.387 177.880 176.519 -0.044 0.000 1.197 588 W CA 0.414 57.739 57.345 -0.032 0.000 1.262 588 W CB 1.616 31.065 29.460 -0.019 0.000 1.153 588 W HN 0.536 nan 8.180 nan 0.000 0.596 589 K N 1.035 121.576 120.400 0.236 0.000 2.344 589 K HA 0.534 4.855 4.320 0.002 0.000 0.229 589 K C 0.980 177.580 176.600 0.000 0.000 1.112 589 K CA 0.771 57.102 56.287 0.073 0.000 0.850 589 K CB -0.852 31.652 32.500 0.008 0.000 1.311 589 K HN 0.445 nan 8.250 nan 0.000 0.448 590 R N 1.145 121.583 120.500 -0.104 0.000 2.275 590 R HA 0.604 4.945 4.340 0.002 0.000 0.326 590 R C 0.960 177.056 176.300 -0.339 0.000 0.973 590 R CA 0.252 56.098 56.100 -0.423 0.000 0.854 590 R CB -0.498 29.313 30.300 -0.814 0.000 1.156 590 R HN 0.903 nan 8.270 nan 0.000 0.487 591 R N 1.829 122.148 120.500 -0.302 0.000 2.343 591 R HA 0.158 4.499 4.340 0.002 0.000 0.202 591 R C 0.496 176.606 176.300 -0.317 0.000 1.023 591 R CA 1.053 56.823 56.100 -0.551 0.000 1.084 591 R CB -0.889 29.101 30.300 -0.516 0.000 0.956 591 R HN 0.956 nan 8.270 nan 0.000 0.478 592 W N -2.516 118.642 121.300 -0.237 0.000 3.179 592 W HA 0.778 5.439 4.660 0.002 0.000 0.372 592 W C -1.225 175.222 176.519 -0.120 0.000 1.137 592 W CA -1.206 56.023 57.345 -0.194 0.000 1.100 592 W CB 0.601 29.991 29.460 -0.117 0.000 1.503 592 W HN -0.175 nan 8.180 nan 0.000 0.601 593 I N 0.784 121.673 120.570 0.532 0.000 3.191 593 I HA 0.495 4.666 4.170 0.002 0.000 0.313 593 I C -0.158 176.321 176.117 0.604 0.000 1.193 593 I CA -0.974 60.533 61.300 0.345 0.000 0.968 593 I CB 1.613 39.676 38.000 0.104 0.000 1.262 593 I HN 0.632 nan 8.210 nan 0.000 0.456 594 K N 1.413 122.050 120.400 0.395 0.000 2.185 594 K HA 0.801 5.122 4.320 0.002 0.000 0.269 594 K C 0.069 176.766 176.600 0.162 0.000 0.987 594 K CA -0.372 56.118 56.287 0.337 0.000 0.865 594 K CB 1.177 33.881 32.500 0.341 0.000 1.090 594 K HN 0.920 nan 8.250 nan 0.000 0.450 595 G N 0.210 109.070 108.800 0.100 0.000 2.451 595 G HA2 0.445 4.406 3.960 0.002 0.000 0.303 595 G HA3 0.445 4.406 3.960 0.002 0.000 0.303 595 G C 1.064 175.922 174.900 -0.070 0.000 1.166 595 G CA -0.725 44.391 45.100 0.027 0.000 0.884 595 G HN 0.688 nan 8.290 nan 0.000 0.514 596 L N 0.047 121.140 121.223 -0.217 0.000 2.211 596 L HA -0.204 4.137 4.340 0.002 0.000 0.216 596 L C 2.368 178.811 176.870 -0.712 0.000 1.092 596 L CA 2.059 56.533 54.840 -0.609 0.000 0.767 596 L CB -0.182 41.208 42.059 -1.116 0.000 0.894 596 L HN 0.799 nan 8.230 nan 0.000 0.437 597 D N -2.091 118.113 120.400 -0.326 0.000 2.366 597 D HA 0.102 4.743 4.640 0.002 0.000 0.205 597 D C 1.464 177.803 176.300 0.064 0.000 1.022 597 D CA 0.903 54.922 54.000 0.032 0.000 0.868 597 D CB 0.724 41.667 40.800 0.238 0.000 0.953 597 D HN 0.210 nan 8.370 nan 0.000 0.514 598 G N 0.417 109.226 108.800 0.014 0.000 2.705 598 G HA2 -0.223 3.738 3.960 0.002 0.000 0.193 598 G HA3 -0.223 3.738 3.960 0.002 0.000 0.193 598 G C 0.331 175.239 174.900 0.013 0.000 1.015 598 G CA -0.157 44.939 45.100 -0.006 0.000 0.743 598 G HN 0.558 nan 8.290 nan 0.000 0.476 599 R N 1.406 121.959 120.500 0.088 0.000 2.802 599 R HA 0.281 4.622 4.340 0.002 0.000 0.264 599 R C -0.383 175.956 176.300 0.065 0.000 0.996 599 R CA 0.368 56.584 56.100 0.193 0.000 1.123 599 R CB 0.359 30.794 30.300 0.226 0.000 0.996 599 R HN 0.268 nan 8.270 nan 0.000 0.444 600 K N 1.017 121.370 120.400 -0.079 0.000 2.144 600 K HA 0.289 4.610 4.320 0.002 0.000 0.270 600 K C -0.859 175.677 176.600 -0.106 0.000 1.005 600 K CA -0.644 55.349 56.287 -0.490 0.000 0.932 600 K CB 1.729 33.582 32.500 -1.078 0.000 1.021 600 K HN 0.374 nan 8.250 nan 0.000 0.462 601 V N 3.263 123.198 119.914 0.035 0.000 2.380 601 V HA 0.053 4.174 4.120 0.002 0.000 0.268 601 V C -0.338 175.841 176.094 0.140 0.000 1.008 601 V CA -0.911 61.447 62.300 0.097 0.000 0.823 601 V CB 0.206 32.083 31.823 0.090 0.000 1.053 601 V HN 0.811 nan 8.190 nan 0.000 0.446 602 H N 3.652 122.756 119.070 0.057 0.000 3.058 602 H HA 0.300 4.857 4.556 0.002 0.000 0.347 602 H C -0.703 174.640 175.328 0.025 0.000 1.087 602 H CA 0.678 56.761 56.048 0.060 0.000 1.375 602 H CB 0.888 30.651 29.762 0.001 0.000 1.312 602 H HN 0.350 nan 8.280 nan 0.000 0.607 603 V N 4.778 123.978 119.914 -1.190 0.000 2.531 603 V HA 0.400 4.521 4.120 0.002 0.000 0.301 603 V C 1.317 176.918 176.094 -0.822 0.000 1.034 603 V CA 0.012 61.884 62.300 -0.715 0.000 0.865 603 V CB 0.850 32.477 31.823 -0.326 0.000 0.995 603 V HN 1.022 nan 8.190 nan 0.000 0.424 604 R N 3.339 123.692 120.500 -0.245 0.000 2.070 604 R HA 0.111 4.452 4.340 0.002 0.000 0.233 604 R C 1.043 177.416 176.300 0.121 0.000 1.137 604 R CA 1.717 57.854 56.100 0.062 0.000 0.945 604 R CB -0.458 29.914 30.300 0.120 0.000 0.845 604 R HN 1.062 nan 8.270 nan 0.000 0.430 605 S N -2.798 112.994 115.700 0.152 0.000 2.556 605 S HA 0.518 4.989 4.470 0.002 0.000 0.271 605 S C -2.574 172.187 174.600 0.269 0.000 1.135 605 S CA -0.845 57.525 58.200 0.282 0.000 0.858 605 S CB 2.385 65.701 63.200 0.192 0.000 1.114 605 S HN -0.007 nan 8.310 nan 0.000 0.468 606 P HA -0.138 nan 4.420 nan 0.000 0.216 606 P C 1.082 178.449 177.300 0.111 0.000 1.150 606 P CA 1.490 64.658 63.100 0.113 0.000 0.843 606 P CB -0.092 31.565 31.700 -0.072 0.000 0.787 607 H N -0.557 118.513 119.070 0.002 0.000 2.462 607 H HA 0.125 4.682 4.556 0.002 0.000 0.292 607 H C 1.676 176.981 175.328 -0.039 0.000 1.049 607 H CA 1.314 57.347 56.048 -0.026 0.000 1.334 607 H CB -0.525 29.227 29.762 -0.017 0.000 1.404 607 H HN -0.035 nan 8.280 nan 0.000 0.544 608 A N 0.176 122.984 122.820 -0.020 0.000 2.123 608 A HA 0.267 4.588 4.320 0.002 0.000 0.214 608 A C 2.515 180.042 177.584 -0.095 0.000 1.152 608 A CA 0.859 52.836 52.037 -0.099 0.000 0.728 608 A CB -0.834 18.150 19.000 -0.027 0.000 0.814 608 A HN 0.517 nan 8.150 nan 0.000 0.464 609 A N 0.524 123.318 122.820 -0.043 0.000 1.883 609 A HA -0.287 4.034 4.320 0.002 0.000 0.222 609 A C 2.087 179.605 177.584 -0.110 0.000 1.339 609 A CA 2.199 54.206 52.037 -0.049 0.000 0.692 609 A CB -1.018 17.975 19.000 -0.011 0.000 0.845 609 A HN 0.793 nan 8.150 nan 0.000 0.467 610 L N 0.518 121.654 121.223 -0.145 0.000 2.012 610 L HA -0.221 4.120 4.340 0.002 0.000 0.210 610 L C 2.245 179.005 176.870 -0.184 0.000 1.073 610 L CA 2.638 57.370 54.840 -0.180 0.000 0.748 610 L CB -0.785 41.151 42.059 -0.204 0.000 0.891 610 L HN 0.664 nan 8.230 nan 0.000 0.431 611 N N -1.901 116.684 118.700 -0.192 0.000 2.084 611 N HA -0.208 4.533 4.740 0.002 0.000 0.190 611 N C 1.561 177.006 175.510 -0.108 0.000 1.030 611 N CA 1.750 54.709 53.050 -0.152 0.000 0.849 611 N CB 0.024 38.418 38.487 -0.156 0.000 1.012 611 N HN 0.422 nan 8.380 nan 0.000 0.423 612 T N 2.298 116.792 114.554 -0.100 0.000 2.544 612 T HA -0.226 4.124 4.350 0.002 0.000 0.264 612 T C 1.948 176.599 174.700 -0.082 0.000 1.096 612 T CA 1.673 63.732 62.100 -0.069 0.000 1.181 612 T CB -0.718 68.110 68.868 -0.066 0.000 0.864 612 T HN 0.277 nan 8.240 nan 0.000 0.415 613 L N 0.730 121.872 121.223 -0.135 0.000 2.103 613 L HA -0.132 4.209 4.340 0.002 0.000 0.215 613 L C 2.142 178.883 176.870 -0.215 0.000 1.080 613 L CA 1.775 56.481 54.840 -0.223 0.000 0.764 613 L CB -0.611 41.230 42.059 -0.363 0.000 0.890 613 L HN 0.307 nan 8.230 nan 0.000 0.435 614 L N -1.225 119.907 121.223 -0.152 0.000 2.095 614 L HA -0.118 4.223 4.340 0.002 0.000 0.204 614 L C 2.675 179.554 176.870 0.016 0.000 1.080 614 L CA 1.392 56.202 54.840 -0.050 0.000 0.759 614 L CB -0.668 41.371 42.059 -0.034 0.000 0.914 614 L HN 0.443 nan 8.230 nan 0.000 0.439 615 Q N -0.290 119.508 119.800 -0.002 0.000 2.079 615 Q HA -0.217 4.124 4.340 0.002 0.000 0.200 615 Q C 2.362 178.400 176.000 0.063 0.000 0.974 615 Q CA 1.900 57.721 55.803 0.030 0.000 0.840 615 Q CB 0.020 28.764 28.738 0.009 0.000 0.898 615 Q HN 0.364 nan 8.270 nan 0.000 0.430 616 S N -0.191 115.535 115.700 0.044 0.000 2.351 616 S HA -0.208 4.263 4.470 0.002 0.000 0.220 616 S C 1.988 176.635 174.600 0.078 0.000 1.035 616 S CA 1.454 59.691 58.200 0.062 0.000 1.031 616 S CB -0.551 62.669 63.200 0.034 0.000 0.928 616 S HN 0.587 nan 8.310 nan 0.000 0.433 617 A N 0.722 123.593 122.820 0.084 0.000 1.903 617 A HA -0.076 4.245 4.320 0.002 0.000 0.219 617 A C 2.323 179.975 177.584 0.113 0.000 1.191 617 A CA 2.219 54.327 52.037 0.119 0.000 0.638 617 A CB -1.655 17.548 19.000 0.338 0.000 0.823 617 A HN 0.676 nan 8.150 nan 0.000 0.451 618 G N -1.424 107.460 108.800 0.141 0.000 2.484 618 G HA2 0.167 4.128 3.960 0.002 0.000 0.218 618 G HA3 0.167 4.128 3.960 0.002 0.000 0.218 618 G C 1.593 176.627 174.900 0.224 0.000 1.130 618 G CA 1.268 46.466 45.100 0.164 0.000 0.784 618 G HN 0.795 nan 8.290 nan 0.000 0.543 619 A N 1.220 124.169 122.820 0.215 0.000 1.825 619 A HA 0.068 4.389 4.320 0.002 0.000 0.214 619 A C 2.375 180.160 177.584 0.335 0.000 1.206 619 A CA 1.338 53.549 52.037 0.290 0.000 0.609 619 A CB -0.650 18.487 19.000 0.229 0.000 0.851 619 A HN 0.306 nan 8.150 nan 0.000 0.445 620 L N -0.300 121.066 121.223 0.238 0.000 2.081 620 L HA -0.221 4.120 4.340 0.002 0.000 0.212 620 L C 2.495 179.603 176.870 0.398 0.000 1.080 620 L CA 1.268 56.258 54.840 0.250 0.000 0.754 620 L CB -0.718 41.359 42.059 0.032 0.000 0.893 620 L HN 0.380 nan 8.230 nan 0.000 0.433 621 I N -0.582 120.192 120.570 0.340 0.000 2.194 621 I HA -0.373 3.798 4.170 0.002 0.000 0.246 621 I C 2.524 178.937 176.117 0.493 0.000 1.093 621 I CA 1.442 63.030 61.300 0.479 0.000 1.355 621 I CB -0.303 37.868 38.000 0.286 0.000 1.046 621 I HN 0.464 nan 8.210 nan 0.000 0.413 622 C N -0.071 119.512 119.300 0.472 0.000 2.500 622 C HA -0.099 4.362 4.460 0.002 0.000 0.279 622 C C 2.780 177.992 174.990 0.371 0.000 1.288 622 C CA 0.300 59.668 59.018 0.582 0.000 1.710 622 C CB -0.764 27.402 27.740 0.711 0.000 2.052 622 C HN 0.442 nan 8.230 nan 0.000 0.488 623 K N 0.814 121.402 120.400 0.313 0.000 2.034 623 K HA -0.252 4.069 4.320 0.002 0.000 0.214 623 K C 1.912 178.560 176.600 0.079 0.000 1.051 623 K CA 1.758 58.084 56.287 0.066 0.000 0.931 623 K CB -0.454 32.188 32.500 0.235 0.000 0.715 623 K HN 0.332 nan 8.250 nan 0.000 0.446 624 L N 0.335 121.728 121.223 0.284 0.000 2.131 624 L HA -0.130 4.210 4.340 0.002 0.000 0.210 624 L C 2.003 178.982 176.870 0.181 0.000 1.092 624 L CA 1.687 56.674 54.840 0.244 0.000 0.759 624 L CB -0.588 41.681 42.059 0.350 0.000 0.903 624 L HN 0.469 nan 8.230 nan 0.000 0.435 625 W N 1.234 122.580 121.300 0.076 0.000 2.353 625 W HA -0.202 4.459 4.660 0.002 0.000 0.319 625 W C 2.368 178.863 176.519 -0.039 0.000 1.207 625 W CA 2.573 59.940 57.345 0.037 0.000 1.291 625 W CB -0.612 28.902 29.460 0.090 0.000 1.159 625 W HN 0.337 nan 8.180 nan 0.000 0.478 626 I N -0.957 119.338 120.570 -0.459 0.000 2.567 626 I HA -0.231 3.940 4.170 0.002 0.000 0.257 626 I C 2.153 178.076 176.117 -0.323 0.000 1.184 626 I CA 1.469 62.410 61.300 -0.599 0.000 1.451 626 I CB -0.979 36.664 38.000 -0.594 0.000 1.089 626 I HN 0.057 nan 8.210 nan 0.000 0.441 627 I N 0.859 121.279 120.570 -0.250 0.000 2.233 627 I HA -0.172 3.999 4.170 0.002 0.000 0.243 627 I C 2.702 178.674 176.117 -0.242 0.000 1.093 627 I CA 1.084 62.259 61.300 -0.208 0.000 1.380 627 I CB -0.389 37.522 38.000 -0.148 0.000 1.067 627 I HN 0.131 nan 8.210 nan 0.000 0.413 628 K N 0.823 121.066 120.400 -0.262 0.000 2.026 628 K HA -0.121 4.200 4.320 0.002 0.000 0.208 628 K C 2.106 178.536 176.600 -0.283 0.000 1.048 628 K CA 1.769 57.847 56.287 -0.348 0.000 0.929 628 K CB -0.709 31.556 32.500 -0.391 0.000 0.713 628 K HN 0.199 nan 8.250 nan 0.000 0.439 629 T N 1.628 116.019 114.554 -0.273 0.000 2.565 629 T HA -0.227 4.124 4.350 0.002 0.000 0.265 629 T C 1.710 176.289 174.700 -0.202 0.000 1.082 629 T CA 2.049 63.997 62.100 -0.254 0.000 1.173 629 T CB -0.321 68.291 68.868 -0.426 0.000 0.864 629 T HN 0.441 nan 8.240 nan 0.000 0.425 630 E N 0.901 121.013 120.200 -0.147 0.000 2.049 630 E HA -0.249 4.102 4.350 0.002 0.000 0.198 630 E C 2.541 179.055 176.600 -0.143 0.000 1.007 630 E CA 2.052 58.374 56.400 -0.129 0.000 0.809 630 E CB -0.292 29.249 29.700 -0.266 0.000 0.749 630 E HN 0.638 nan 8.360 nan 0.000 0.450 631 E N 1.175 121.271 120.200 -0.173 0.000 2.068 631 E HA -0.282 4.069 4.350 0.002 0.000 0.207 631 E C 1.979 178.475 176.600 -0.174 0.000 1.032 631 E CA 2.294 58.589 56.400 -0.175 0.000 0.839 631 E CB -1.087 28.471 29.700 -0.238 0.000 0.758 631 E HN 0.447 nan 8.360 nan 0.000 0.457 632 M N -0.328 119.146 119.600 -0.210 0.000 2.106 632 M HA -0.078 4.403 4.480 0.002 0.000 0.259 632 M C 2.689 178.881 176.300 -0.180 0.000 1.068 632 M CA 1.668 56.855 55.300 -0.190 0.000 1.100 632 M CB -0.374 32.114 32.600 -0.187 0.000 1.351 632 M HN 0.293 nan 8.290 nan 0.000 0.404 633 L N -0.553 120.528 121.223 -0.236 0.000 2.349 633 L HA -0.172 4.169 4.340 0.002 0.000 0.220 633 L C 2.076 178.809 176.870 -0.227 0.000 1.130 633 L CA 0.553 55.187 54.840 -0.343 0.000 0.791 633 L CB -0.506 41.133 42.059 -0.700 0.000 0.918 633 L HN 0.189 nan 8.230 nan 0.000 0.444 634 V N -0.767 119.078 119.914 -0.115 0.000 2.672 634 V HA -0.054 4.067 4.120 0.002 0.000 0.242 634 V C 2.637 178.699 176.094 -0.053 0.000 1.059 634 V CA 1.510 63.796 62.300 -0.024 0.000 1.081 634 V CB -0.471 31.356 31.823 0.007 0.000 0.752 634 V HN 0.487 nan 8.190 nan 0.000 0.472 635 E N 0.662 120.812 120.200 -0.084 0.000 2.526 635 E HA -0.041 4.310 4.350 0.002 0.000 0.198 635 E C 1.848 178.405 176.600 -0.071 0.000 1.091 635 E CA 1.242 57.595 56.400 -0.079 0.000 0.880 635 E CB -0.854 28.787 29.700 -0.098 0.000 0.873 635 E HN 0.749 nan 8.360 nan 0.000 0.527 636 K N -1.131 119.223 120.400 -0.077 0.000 2.262 636 K HA 0.545 4.866 4.320 0.002 0.000 0.200 636 K C 2.011 178.580 176.600 -0.052 0.000 1.058 636 K CA 1.254 57.499 56.287 -0.071 0.000 0.974 636 K CB 0.257 32.700 32.500 -0.095 0.000 0.910 636 K HN 1.151 nan 8.250 nan 0.000 0.484 637 G N -2.541 106.233 108.800 -0.042 0.000 3.254 637 G HA2 0.396 4.357 3.960 0.002 0.000 0.219 637 G HA3 0.396 4.357 3.960 0.002 0.000 0.219 637 G C 0.405 175.313 174.900 0.012 0.000 0.964 637 G CA 0.294 45.383 45.100 -0.018 0.000 0.823 637 G HN 1.143 nan 8.290 nan 0.000 0.579 638 L N 0.731 121.964 121.223 0.018 0.000 2.395 638 L HA 0.965 5.306 4.340 0.002 0.000 0.269 638 L C 0.539 177.583 176.870 0.291 0.000 1.133 638 L CA -0.008 54.905 54.840 0.121 0.000 0.812 638 L CB -0.164 41.913 42.059 0.029 0.000 1.125 638 L HN 1.087 nan 8.230 nan 0.000 0.452 639 K N 0.873 121.459 120.400 0.310 0.000 2.235 639 K HA 0.533 4.854 4.320 0.002 0.000 0.266 639 K C -0.258 176.376 176.600 0.055 0.000 0.980 639 K CA -0.418 55.993 56.287 0.207 0.000 0.849 639 K CB 0.492 33.044 32.500 0.086 0.000 1.098 639 K HN 1.180 nan 8.250 nan 0.000 0.445 640 H N 0.491 119.351 119.070 -0.351 0.000 2.690 640 H HA 0.554 5.111 4.556 0.002 0.000 0.314 640 H C 0.572 175.550 175.328 -0.583 0.000 1.069 640 H CA 0.635 56.048 56.048 -1.058 0.000 1.436 640 H CB 0.635 29.910 29.762 -0.813 0.000 1.462 640 H HN 1.118 nan 8.280 nan 0.000 0.511 641 G N 3.256 111.901 108.800 -0.259 0.000 2.347 641 G HA2 -0.162 3.799 3.960 0.002 0.000 0.321 641 G HA3 -0.162 3.799 3.960 0.002 0.000 0.321 641 G C -0.315 174.502 174.900 -0.139 0.000 1.412 641 G CA -0.583 44.340 45.100 -0.295 0.000 0.990 641 G HN 0.740 nan 8.290 nan 0.000 0.637 642 W N -0.125 121.140 121.300 -0.057 0.000 2.388 642 W HA 0.056 4.717 4.660 0.001 0.000 0.294 642 W C 2.367 179.008 176.519 0.203 0.000 1.212 642 W CA 1.209 58.523 57.345 -0.053 0.000 1.271 642 W CB 0.218 29.609 29.460 -0.115 0.000 1.126 642 W HN 0.747 nan 8.180 nan 0.000 0.535 643 D N -1.348 119.269 120.400 0.362 0.000 2.363 643 D HA 0.059 4.700 4.640 0.002 0.000 0.226 643 D C 1.435 177.884 176.300 0.247 0.000 1.020 643 D CA 0.850 55.019 54.000 0.281 0.000 0.892 643 D CB -0.541 40.359 40.800 0.167 0.000 0.900 643 D HN 0.037 nan 8.370 nan 0.000 0.531 644 G N 0.110 109.076 108.800 0.276 0.000 3.365 644 G HA2 0.163 4.124 3.960 0.002 0.000 0.185 644 G HA3 0.163 4.124 3.960 0.002 0.000 0.185 644 G C 0.436 175.494 174.900 0.264 0.000 1.565 644 G CA -0.016 45.210 45.100 0.209 0.000 0.984 644 G HN 0.070 nan 8.290 nan 0.000 0.604 645 D N -1.120 119.441 120.400 0.269 0.000 2.482 645 D HA 0.182 4.823 4.640 0.002 0.000 0.251 645 D C 0.179 176.658 176.300 0.299 0.000 1.073 645 D CA 0.380 54.485 54.000 0.176 0.000 0.892 645 D CB 0.879 41.786 40.800 0.178 0.000 1.202 645 D HN 0.302 nan 8.370 nan 0.000 0.496 646 F N 0.484 120.603 119.950 0.281 0.000 2.664 646 F HA 0.811 5.340 4.527 0.002 0.000 0.317 646 F C -1.739 174.194 175.800 0.223 0.000 1.108 646 F CA -1.907 56.303 58.000 0.350 0.000 0.957 646 F CB 1.578 40.626 39.000 0.080 0.000 1.365 646 F HN -0.112 nan 8.300 nan 0.000 0.475 647 A N 1.074 123.863 122.820 -0.051 0.000 2.540 647 A HA 0.614 4.935 4.320 0.002 0.000 0.297 647 A C -2.416 175.057 177.584 -0.184 0.000 1.056 647 A CA -0.618 51.156 52.037 -0.438 0.000 0.700 647 A CB 0.527 18.887 19.000 -1.067 0.000 1.280 647 A HN 0.705 nan 8.150 nan 0.000 0.398 648 Y N 2.055 122.170 120.300 -0.309 0.000 2.402 648 Y HA 0.366 4.917 4.550 0.002 0.000 0.333 648 Y C 1.413 177.166 175.900 -0.245 0.000 1.076 648 Y CA -0.126 57.852 58.100 -0.203 0.000 1.299 648 Y CB 1.150 39.567 38.460 -0.072 0.000 1.197 648 Y HN 0.711 nan 8.280 nan 0.000 0.517 649 M N 1.934 121.389 119.600 -0.241 0.000 2.538 649 M HA 0.431 4.912 4.480 0.002 0.000 0.259 649 M C 0.137 176.309 176.300 -0.215 0.000 1.217 649 M CA 0.365 55.417 55.300 -0.413 0.000 1.131 649 M CB 0.785 32.760 32.600 -1.041 0.000 1.382 649 M HN 0.580 nan 8.290 nan 0.000 0.520 650 A N -0.183 122.554 122.820 -0.138 0.000 2.599 650 A HA 0.537 4.858 4.320 0.002 0.000 0.294 650 A C -2.628 175.045 177.584 0.149 0.000 1.055 650 A CA -0.429 51.652 52.037 0.072 0.000 0.683 650 A CB 0.769 19.814 19.000 0.075 0.000 1.278 650 A HN 0.375 nan 8.150 nan 0.000 0.412 651 W N 2.377 123.712 121.300 0.057 0.000 2.604 651 W HA 0.562 5.223 4.660 0.001 0.000 0.302 651 W C -1.962 174.634 176.519 0.128 0.000 1.013 651 W CA -0.739 56.656 57.345 0.083 0.000 1.338 651 W CB 1.265 30.790 29.460 0.108 0.000 1.233 651 W HN 0.522 nan 8.180 nan 0.000 0.390 652 V N 9.256 129.099 119.914 -0.118 0.000 2.184 652 V HA 0.227 4.348 4.120 0.002 0.000 0.262 652 V C 0.948 176.877 176.094 -0.274 0.000 1.209 652 V CA 0.208 62.283 62.300 -0.375 0.000 1.070 652 V CB -0.635 31.187 31.823 -0.002 0.000 1.244 652 V HN 0.792 nan 8.190 nan 0.000 0.477 653 H N 2.953 121.738 119.070 -0.476 0.000 1.456 653 H HA -0.235 4.322 4.556 0.002 0.000 0.090 653 H C 1.164 176.691 175.328 0.331 0.000 0.611 653 H CA 2.065 58.054 56.048 -0.098 0.000 1.901 653 H CB -1.094 28.657 29.762 -0.018 0.000 2.256 653 H HN 0.837 nan 8.280 nan 0.000 0.961 654 D N 3.018 123.683 120.400 0.441 0.000 2.395 654 D HA 0.178 4.818 4.640 0.002 0.000 0.226 654 D C 0.602 177.184 176.300 0.470 0.000 1.146 654 D CA 0.603 54.865 54.000 0.438 0.000 0.830 654 D CB 0.097 41.057 40.800 0.267 0.000 0.958 654 D HN 0.685 nan 8.370 nan 0.000 0.501 655 E N 0.312 120.828 120.200 0.525 0.000 2.429 655 E HA 0.561 4.912 4.350 0.002 0.000 0.276 655 E C -1.041 175.844 176.600 0.476 0.000 0.953 655 E CA -1.210 55.480 56.400 0.482 0.000 0.787 655 E CB 2.126 32.037 29.700 0.352 0.000 1.307 655 E HN 0.151 nan 8.360 nan 0.000 0.458 656 I N -1.309 119.430 120.570 0.281 0.000 2.722 656 I HA 0.395 4.566 4.170 0.002 0.000 0.295 656 I C -1.221 174.844 176.117 -0.087 0.000 1.161 656 I CA -1.016 60.313 61.300 0.048 0.000 1.032 656 I CB 2.421 40.283 38.000 -0.229 0.000 1.244 656 I HN 0.304 nan 8.210 nan 0.000 0.421 657 Q N 5.027 124.695 119.800 -0.219 0.000 2.571 657 Q HA 0.419 4.760 4.340 0.002 0.000 0.243 657 Q C -0.676 175.115 176.000 -0.349 0.000 1.055 657 Q CA -0.508 55.122 55.803 -0.288 0.000 0.815 657 Q CB 2.078 30.538 28.738 -0.463 0.000 1.151 657 Q HN 0.630 nan 8.270 nan 0.000 0.519 658 V N 0.447 120.186 119.914 -0.292 0.000 2.607 658 V HA 0.593 4.714 4.120 0.002 0.000 0.289 658 V C 0.886 176.952 176.094 -0.046 0.000 1.053 658 V CA -0.706 61.446 62.300 -0.247 0.000 0.996 658 V CB 1.478 33.162 31.823 -0.232 0.000 0.995 658 V HN 0.687 nan 8.190 nan 0.000 0.476 659 G N 2.175 111.014 108.800 0.064 0.000 2.335 659 G HA2 0.496 4.457 3.960 0.002 0.000 0.316 659 G HA3 0.496 4.457 3.960 0.002 0.000 0.316 659 G C -0.599 174.696 174.900 0.658 0.000 1.129 659 G CA -0.273 45.023 45.100 0.327 0.000 0.899 659 G HN 0.836 nan 8.290 nan 0.000 0.448 660 C N 2.579 122.243 119.300 0.607 0.000 2.417 660 C HA 0.479 4.940 4.460 0.002 0.000 0.324 660 C C 1.707 176.576 174.990 -0.201 0.000 1.240 660 C CA -0.836 58.355 59.018 0.288 0.000 1.632 660 C CB 1.735 29.536 27.740 0.102 0.000 2.241 660 C HN 0.998 nan 8.230 nan 0.000 0.499 661 R N 1.210 121.035 120.500 -1.125 0.000 2.148 661 R HA -0.040 4.301 4.340 0.002 0.000 0.227 661 R C 0.558 176.429 176.300 -0.715 0.000 1.103 661 R CA 1.624 56.689 56.100 -1.725 0.000 0.983 661 R CB 0.100 29.539 30.300 -1.434 0.000 0.874 661 R HN 0.919 nan 8.270 nan 0.000 0.451 662 T N -4.747 109.576 114.554 -0.386 0.000 2.933 662 T HA 0.377 4.728 4.350 0.002 0.000 0.305 662 T C 0.709 175.337 174.700 -0.119 0.000 1.092 662 T CA -0.114 61.860 62.100 -0.211 0.000 1.008 662 T CB 1.874 70.639 68.868 -0.171 0.000 1.102 662 T HN 0.124 nan 8.240 nan 0.000 0.469 663 E N 1.114 121.268 120.200 -0.076 0.000 2.187 663 E HA -0.126 4.225 4.350 0.002 0.000 0.199 663 E C 2.116 178.691 176.600 -0.041 0.000 1.004 663 E CA 2.766 59.142 56.400 -0.040 0.000 0.813 663 E CB -1.692 27.992 29.700 -0.028 0.000 0.736 663 E HN 1.060 nan 8.360 nan 0.000 0.468 664 E N -0.160 120.007 120.200 -0.054 0.000 2.017 664 E HA 0.038 4.389 4.350 0.002 0.000 0.193 664 E C 2.589 179.156 176.600 -0.056 0.000 0.997 664 E CA 2.847 59.217 56.400 -0.050 0.000 0.804 664 E CB -1.489 28.178 29.700 -0.055 0.000 0.757 664 E HN 1.346 nan 8.360 nan 0.000 0.448 665 I N 1.353 121.880 120.570 -0.072 0.000 2.151 665 I HA 0.161 4.332 4.170 0.002 0.000 0.243 665 I C 3.065 179.145 176.117 -0.062 0.000 1.080 665 I CA 2.874 64.128 61.300 -0.075 0.000 1.339 665 I CB -1.737 36.213 38.000 -0.084 0.000 1.039 665 I HN 0.672 nan 8.210 nan 0.000 0.409 666 A N -0.215 122.580 122.820 -0.042 0.000 1.927 666 A HA -0.251 4.070 4.320 0.002 0.000 0.220 666 A C 2.458 180.030 177.584 -0.020 0.000 1.185 666 A CA 3.568 55.596 52.037 -0.015 0.000 0.639 666 A CB -1.292 17.710 19.000 0.004 0.000 0.820 666 A HN 1.346 nan 8.150 nan 0.000 0.451 667 Q N -0.969 118.818 119.800 -0.023 0.000 2.230 667 Q HA 0.089 4.430 4.340 0.002 0.000 0.202 667 Q C 2.207 178.191 176.000 -0.027 0.000 0.963 667 Q CA 1.623 57.416 55.803 -0.016 0.000 0.866 667 Q CB -1.260 27.470 28.738 -0.014 0.000 0.931 667 Q HN 0.607 nan 8.270 nan 0.000 0.452 668 V N 0.462 120.347 119.914 -0.049 0.000 2.307 668 V HA -0.229 3.891 4.120 0.002 0.000 0.245 668 V C 2.518 178.564 176.094 -0.080 0.000 1.045 668 V CA 1.705 63.966 62.300 -0.065 0.000 1.024 668 V CB -0.683 31.085 31.823 -0.090 0.000 0.651 668 V HN 0.524 nan 8.190 nan 0.000 0.449 669 V N 0.526 120.376 119.914 -0.106 0.000 2.252 669 V HA -0.298 3.823 4.120 0.002 0.000 0.249 669 V C 2.344 178.403 176.094 -0.058 0.000 1.056 669 V CA 2.272 64.494 62.300 -0.130 0.000 1.022 669 V CB -0.713 31.028 31.823 -0.136 0.000 0.641 669 V HN 0.434 nan 8.190 nan 0.000 0.445 670 I N 0.564 121.122 120.570 -0.021 0.000 2.315 670 I HA -0.273 3.898 4.170 0.002 0.000 0.251 670 I C 2.785 178.928 176.117 0.043 0.000 1.125 670 I CA 2.276 63.592 61.300 0.026 0.000 1.392 670 I CB -1.190 36.827 38.000 0.028 0.000 1.065 670 I HN 0.586 nan 8.210 nan 0.000 0.424 671 E N 0.943 121.152 120.200 0.015 0.000 2.190 671 E HA -0.094 4.257 4.350 0.002 0.000 0.191 671 E C 2.120 178.735 176.600 0.025 0.000 0.978 671 E CA 1.221 57.634 56.400 0.022 0.000 0.839 671 E CB -1.032 28.670 29.700 0.003 0.000 0.787 671 E HN 0.516 nan 8.360 nan 0.000 0.473 672 T N 0.522 115.070 114.554 -0.010 0.000 2.821 672 T HA 0.092 4.443 4.350 0.002 0.000 0.267 672 T C 2.405 177.128 174.700 0.037 0.000 1.046 672 T CA 1.243 63.327 62.100 -0.027 0.000 1.139 672 T CB -0.301 68.501 68.868 -0.109 0.000 0.871 672 T HN 0.542 nan 8.240 nan 0.000 0.454 673 A N 1.309 124.175 122.820 0.076 0.000 1.978 673 A HA -0.179 4.142 4.320 0.002 0.000 0.220 673 A C 2.294 180.134 177.584 0.426 0.000 1.170 673 A CA 1.872 54.064 52.037 0.259 0.000 0.636 673 A CB -0.667 18.500 19.000 0.278 0.000 0.810 673 A HN 0.422 nan 8.150 nan 0.000 0.448 674 Q N -0.472 119.459 119.800 0.218 0.000 1.941 674 Q HA -0.079 4.261 4.340 0.002 0.000 0.201 674 Q C 2.163 178.254 176.000 0.150 0.000 0.982 674 Q CA 3.082 58.976 55.803 0.152 0.000 0.839 674 Q CB -0.913 27.877 28.738 0.086 0.000 0.904 674 Q HN 0.631 nan 8.270 nan 0.000 0.427 675 E N 0.475 120.748 120.200 0.121 0.000 2.068 675 E HA -0.272 4.079 4.350 0.002 0.000 0.207 675 E C 2.077 178.794 176.600 0.196 0.000 1.032 675 E CA 2.531 59.005 56.400 0.124 0.000 0.839 675 E CB -1.713 28.035 29.700 0.079 0.000 0.758 675 E HN 0.664 nan 8.360 nan 0.000 0.457 676 A N 0.064 123.003 122.820 0.198 0.000 1.909 676 A HA -0.248 4.072 4.320 0.002 0.000 0.221 676 A C 2.519 180.360 177.584 0.428 0.000 1.223 676 A CA 3.690 55.879 52.037 0.253 0.000 0.658 676 A CB -0.650 18.484 19.000 0.224 0.000 0.831 676 A HN 0.695 nan 8.150 nan 0.000 0.462 677 M N -1.179 118.666 119.600 0.409 0.000 2.065 677 M HA -0.126 4.355 4.480 0.002 0.000 0.259 677 M C 2.036 178.411 176.300 0.125 0.000 1.069 677 M CA 1.837 57.198 55.300 0.102 0.000 1.110 677 M CB -0.502 31.916 32.600 -0.304 0.000 1.328 677 M HN 0.291 nan 8.290 nan 0.000 0.405 678 R N -0.806 119.763 120.500 0.115 0.000 2.103 678 R HA -0.227 4.114 4.340 0.002 0.000 0.242 678 R C 2.050 178.423 176.300 0.121 0.000 1.142 678 R CA 1.955 58.107 56.100 0.087 0.000 0.960 678 R CB -1.724 28.623 30.300 0.079 0.000 0.858 678 R HN 0.734 nan 8.270 nan 0.000 0.439 679 W N 0.750 122.057 121.300 0.011 0.000 2.332 679 W HA -0.249 4.412 4.660 0.002 0.000 0.321 679 W C 2.066 178.574 176.519 -0.018 0.000 1.219 679 W CA 1.838 59.176 57.345 -0.010 0.000 1.277 679 W CB -0.515 28.933 29.460 -0.021 0.000 1.161 679 W HN -0.154 nan 8.180 nan 0.000 0.476 680 V N 1.628 121.823 119.914 0.468 0.000 2.527 680 V HA -0.313 3.808 4.120 0.002 0.000 0.255 680 V C 2.302 178.399 176.094 0.005 0.000 1.081 680 V CA 1.917 64.364 62.300 0.245 0.000 1.092 680 V CB -1.794 30.219 31.823 0.316 0.000 0.673 680 V HN 0.508 nan 8.190 nan 0.000 0.470 681 G N -0.331 108.473 108.800 0.007 0.000 2.434 681 G HA2 -0.298 3.663 3.960 0.002 0.000 0.214 681 G HA3 -0.298 3.663 3.960 0.002 0.000 0.214 681 G C 1.281 176.116 174.900 -0.108 0.000 1.202 681 G CA 1.017 46.100 45.100 -0.028 0.000 0.788 681 G HN 0.551 nan 8.290 nan 0.000 0.539 682 D N -0.480 119.808 120.400 -0.186 0.000 2.104 682 D HA -0.208 4.433 4.640 0.002 0.000 0.194 682 D C 2.169 178.294 176.300 -0.291 0.000 0.994 682 D CA 1.364 55.229 54.000 -0.225 0.000 0.830 682 D CB -0.236 40.399 40.800 -0.274 0.000 0.959 682 D HN 0.335 nan 8.370 nan 0.000 0.452 683 H N -0.968 117.683 119.070 -0.699 0.000 2.390 683 H HA -0.153 4.404 4.556 0.002 0.000 0.298 683 H C 0.816 175.892 175.328 -0.420 0.000 1.106 683 H CA 1.576 57.128 56.048 -0.827 0.000 1.297 683 H CB -0.235 28.631 29.762 -1.493 0.000 1.375 683 H HN 0.347 nan 8.280 nan 0.000 0.509 684 W N 0.998 122.089 121.300 -0.349 0.000 3.102 684 W HA 0.295 4.956 4.660 0.002 0.000 0.401 684 W C 0.013 176.387 176.519 -0.241 0.000 1.070 684 W CA -0.196 56.942 57.345 -0.346 0.000 1.921 684 W CB -0.452 28.823 29.460 -0.309 0.000 1.118 684 W HN 0.214 nan 8.180 nan 0.000 0.647 685 N N -0.430 118.266 118.700 -0.007 0.000 2.725 685 N HA -0.254 4.487 4.740 0.002 0.000 0.251 685 N C -0.103 175.398 175.510 -0.015 0.000 1.031 685 N CA 1.390 54.431 53.050 -0.014 0.000 0.720 685 N CB -2.240 36.252 38.487 0.009 0.000 0.930 685 N HN 0.080 nan 8.380 nan 0.000 0.543 686 F N -0.128 119.768 119.950 -0.090 0.000 2.529 686 F HA 0.495 5.023 4.527 0.002 0.000 0.365 686 F C 1.784 177.599 175.800 0.025 0.000 1.102 686 F CA 0.300 58.168 58.000 -0.219 0.000 1.271 686 F CB 0.018 38.896 39.000 -0.203 0.000 1.120 686 F HN 0.469 nan 8.300 nan 0.000 0.579 687 R N 0.750 121.427 120.500 0.295 0.000 2.317 687 R HA 0.395 4.736 4.340 0.002 0.000 0.208 687 R C 0.446 176.796 176.300 0.083 0.000 0.914 687 R CA 0.925 57.118 56.100 0.156 0.000 1.060 687 R CB -0.511 29.842 30.300 0.089 0.000 1.015 687 R HN 1.474 nan 8.270 nan 0.000 0.498 688 C N 0.325 119.666 119.300 0.069 0.000 2.407 688 C HA 0.730 5.191 4.460 0.002 0.000 0.328 688 C C 0.426 175.421 174.990 0.008 0.000 1.137 688 C CA -0.983 58.057 59.018 0.037 0.000 1.390 688 C CB -0.022 27.752 27.740 0.056 0.000 1.989 688 C HN 0.941 nan 8.230 nan 0.000 0.432 689 L N 6.559 127.783 121.223 0.002 0.000 2.678 689 L HA 0.257 4.598 4.340 0.002 0.000 0.285 689 L C 0.079 176.941 176.870 -0.013 0.000 1.233 689 L CA 1.189 56.025 54.840 -0.008 0.000 0.920 689 L CB -0.915 41.141 42.059 -0.005 0.000 1.176 689 L HN 0.826 nan 8.230 nan 0.000 0.495 690 L N 3.092 124.301 121.223 -0.024 0.000 2.375 690 L HA 0.826 5.167 4.340 0.002 0.000 0.268 690 L C -0.068 176.765 176.870 -0.061 0.000 1.058 690 L CA -0.797 54.017 54.840 -0.044 0.000 0.803 690 L CB 1.358 43.384 42.059 -0.054 0.000 1.212 690 L HN 0.823 nan 8.230 nan 0.000 0.451 691 D N -0.989 119.357 120.400 -0.091 0.000 2.664 691 D HA 0.551 5.192 4.640 0.002 0.000 0.292 691 D C -1.067 175.140 176.300 -0.154 0.000 1.214 691 D CA -0.207 53.737 54.000 -0.093 0.000 0.932 691 D CB 2.551 43.326 40.800 -0.042 0.000 1.420 691 D HN 0.629 nan 8.370 nan 0.000 0.471 692 T N -3.945 110.546 114.554 -0.105 0.000 2.868 692 T HA 0.700 5.051 4.350 0.002 0.000 0.306 692 T C -1.051 173.650 174.700 0.001 0.000 1.224 692 T CA -0.660 61.384 62.100 -0.094 0.000 1.012 692 T CB 1.753 70.562 68.868 -0.098 0.000 1.221 692 T HN 0.510 nan 8.240 nan 0.000 0.499 693 E N 0.191 120.414 120.200 0.039 0.000 2.244 693 E HA 0.681 5.032 4.350 0.002 0.000 0.260 693 E C 0.120 176.772 176.600 0.086 0.000 0.884 693 E CA -0.774 55.661 56.400 0.057 0.000 0.777 693 E CB 1.265 30.998 29.700 0.054 0.000 1.197 693 E HN 1.225 nan 8.360 nan 0.000 0.416 694 G N -0.129 108.720 108.800 0.081 0.000 2.477 694 G HA2 0.806 4.767 3.960 0.002 0.000 0.304 694 G HA3 0.806 4.767 3.960 0.002 0.000 0.304 694 G C -0.036 174.911 174.900 0.078 0.000 1.175 694 G CA 0.247 45.400 45.100 0.088 0.000 0.907 694 G HN 1.199 nan 8.290 nan 0.000 0.509 695 K N 0.245 120.693 120.400 0.080 0.000 2.570 695 K HA 0.639 4.960 4.320 0.002 0.000 0.256 695 K C -1.026 175.619 176.600 0.075 0.000 0.939 695 K CA -0.535 55.799 56.287 0.078 0.000 0.833 695 K CB 1.435 33.991 32.500 0.094 0.000 1.318 695 K HN 0.846 nan 8.250 nan 0.000 0.433 696 M N 1.764 121.403 119.600 0.064 0.000 2.472 696 M HA 0.821 5.302 4.480 0.002 0.000 0.331 696 M C 0.258 176.600 176.300 0.069 0.000 1.170 696 M CA 0.069 55.406 55.300 0.061 0.000 1.009 696 M CB 1.900 34.526 32.600 0.043 0.000 1.672 696 M HN 1.189 nan 8.290 nan 0.000 0.453 697 G N 2.946 111.792 108.800 0.078 0.000 2.430 697 G HA2 0.390 4.351 3.960 0.002 0.000 0.300 697 G HA3 0.390 4.351 3.960 0.002 0.000 0.300 697 G C -3.211 171.743 174.900 0.090 0.000 1.330 697 G CA -0.613 44.536 45.100 0.082 0.000 0.813 697 G HN 0.415 nan 8.290 nan 0.000 0.487 698 P HA 0.106 nan 4.420 nan 0.000 0.224 698 P C 0.117 177.477 177.300 0.100 0.000 1.159 698 P CA 0.898 64.034 63.100 0.060 0.000 0.824 698 P CB 0.284 31.992 31.700 0.013 0.000 0.833 699 N N -3.371 115.433 118.700 0.174 0.000 2.610 699 N HA 0.042 4.783 4.740 0.002 0.000 0.264 699 N C 0.116 175.858 175.510 0.387 0.000 1.348 699 N CA -0.923 52.312 53.050 0.308 0.000 0.819 699 N CB -0.377 38.310 38.487 0.334 0.000 1.521 699 N HN -0.286 nan 8.380 nan 0.000 0.497 700 W N 0.988 122.464 121.300 0.292 0.000 2.321 700 W HA -0.049 4.612 4.660 0.001 0.000 0.285 700 W C 1.664 178.272 176.519 0.149 0.000 1.213 700 W CA 2.094 59.581 57.345 0.238 0.000 1.205 700 W CB -1.124 28.474 29.460 0.230 0.000 1.134 700 W HN 0.800 nan 8.180 nan 0.000 0.549 701 A N -0.369 122.666 122.820 0.359 0.000 1.929 701 A HA -0.099 4.222 4.320 0.002 0.000 0.216 701 A C 2.038 179.719 177.584 0.162 0.000 1.176 701 A CA 1.678 53.826 52.037 0.186 0.000 0.628 701 A CB -0.717 18.372 19.000 0.148 0.000 0.816 701 A HN 0.244 nan 8.150 nan 0.000 0.444 702 I N -0.966 119.712 120.570 0.179 0.000 3.603 702 I HA -0.068 4.102 4.170 0.002 0.000 0.297 702 I C 0.686 176.893 176.117 0.150 0.000 1.269 702 I CA 0.099 61.481 61.300 0.137 0.000 1.361 702 I CB 0.173 38.241 38.000 0.113 0.000 1.063 702 I HN 0.244 nan 8.210 nan 0.000 0.448 703 C N 1.373 120.798 119.300 0.207 0.000 2.525 703 C HA 0.474 4.935 4.460 0.002 0.000 0.313 703 C C 0.970 176.096 174.990 0.226 0.000 1.311 703 C CA 0.172 59.312 59.018 0.203 0.000 1.725 703 C CB -2.371 25.499 27.740 0.217 0.000 1.926 703 C HN 0.645 nan 8.230 nan 0.000 0.595 704 H N 0.000 119.188 119.070 0.196 0.000 2.539 704 H HA 0.000 4.557 4.556 0.002 0.000 0.296 704 H CA 0.000 56.147 56.048 0.166 0.000 1.023 704 H CB 0.000 29.895 29.762 0.222 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496