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 1ec9_1_A DATA FIRST_RESID 4 DATA SEQUENCE QFTTPVVTEM QVIPVAGHDS MLMNLSGAHA PFFTRNIVII KDNSGHTGVG DATA SEQUENCE EIPGGEKIRK TLEDAIPLVV GKTLGEYKNV LTLVRNTFAD RDAGGRGLQT DATA SEQUENCE FDLRTTIHVV TGIEAAMLDL LGQHLGVNVA SLLGDGQQRS EVEMLGYLFF DATA SEQUENCE VGNRKATPLP YQSQPDDSCD WYRLRHEEAM TPDAVVRLAE AAYEKYGFND DATA SEQUENCE FKLKGGVLAG EEEAESIVAL AQRFPQARIT LDPNGAWSLN EAIKIGKYLK DATA SEQUENCE GSLAYAEDPC GAEQGFSGRE VMAEFRRATG LPTATNMIAT DWRQMGHTLS DATA SEQUENCE LQSVDIPLAD PHFWTMQGSV RVAQMCHEFG LTWGSHSNNH FDISLAMFTH DATA SEQUENCE VAAAAPGKIT AIDTHWIWQE GNQRLTKEPF EIKGGLVQVP EKPGLGVEID DATA SEQUENCE MDQVMKAHEL YQKHGLGARD DAMGMQYLIP GWTFDNKRPC MVR 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.740 176.000 -0.434 0.000 1.003 4 Q CA 0.000 55.642 55.803 -0.267 0.000 1.022 4 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 5 F N 1.139 121.112 119.950 0.039 0.000 2.893 5 F HA 0.323 4.864 4.527 0.023 0.000 0.340 5 F C 0.304 176.153 175.800 0.082 0.000 1.300 5 F CA -0.241 57.795 58.000 0.060 0.000 1.227 5 F CB 0.872 39.898 39.000 0.043 0.000 1.044 5 F HN 0.417 nan 8.300 nan 0.000 0.512 6 T N -2.776 111.879 114.554 0.167 0.000 2.904 6 T HA 0.293 4.657 4.350 0.023 0.000 0.290 6 T C 0.238 174.999 174.700 0.102 0.000 1.018 6 T CA -0.605 61.562 62.100 0.112 0.000 1.075 6 T CB 1.905 70.797 68.868 0.041 0.000 0.986 6 T HN 0.154 nan 8.240 nan 0.000 0.523 7 T N 2.526 117.078 114.554 -0.003 0.000 2.794 7 T HA 0.538 4.902 4.350 0.023 0.000 0.280 7 T C -2.546 172.016 174.700 -0.229 0.000 0.987 7 T CA -1.897 60.077 62.100 -0.210 0.000 0.993 7 T CB 0.310 69.128 68.868 -0.082 0.000 0.939 7 T HN 0.523 nan 8.240 nan 0.000 0.449 8 P HA 0.354 nan 4.420 nan 0.000 0.272 8 P C -1.174 176.060 177.300 -0.109 0.000 1.230 8 P CA -0.444 62.540 63.100 -0.193 0.000 0.788 8 P CB 0.491 32.081 31.700 -0.182 0.000 0.949 9 V N 1.483 121.356 119.914 -0.068 0.000 2.495 9 V HA 0.183 4.316 4.120 0.023 0.000 0.298 9 V C 0.226 176.306 176.094 -0.024 0.000 1.031 9 V CA -0.978 61.300 62.300 -0.035 0.000 0.871 9 V CB 1.965 33.773 31.823 -0.026 0.000 0.988 9 V HN 0.242 nan 8.190 nan 0.000 0.432 10 V N 4.623 124.533 119.914 -0.007 0.000 2.540 10 V HA 0.063 4.197 4.120 0.023 0.000 0.297 10 V C 1.595 177.688 176.094 -0.002 0.000 1.024 10 V CA 1.179 63.480 62.300 0.001 0.000 1.105 10 V CB 0.978 32.810 31.823 0.016 0.000 0.938 10 V HN 1.172 nan 8.190 nan 0.000 0.482 11 T N 1.475 116.026 114.554 -0.005 0.000 3.033 11 T HA 0.173 4.536 4.350 0.023 0.000 0.248 11 T C 0.378 175.077 174.700 -0.002 0.000 1.040 11 T CA 0.417 62.513 62.100 -0.007 0.000 1.133 11 T CB 0.199 69.059 68.868 -0.014 0.000 0.895 11 T HN 0.813 nan 8.240 nan 0.000 0.465 12 E N -0.057 120.143 120.200 -0.000 0.000 2.430 12 E HA 0.631 4.995 4.350 0.023 0.000 0.279 12 E C -1.489 175.112 176.600 0.002 0.000 1.003 12 E CA -1.273 55.127 56.400 -0.000 0.000 0.801 12 E CB 1.927 31.624 29.700 -0.006 0.000 1.313 12 E HN 0.290 nan 8.360 nan 0.000 0.459 13 M N 1.657 121.257 119.600 -0.000 0.000 2.421 13 M HA 0.294 4.787 4.480 0.023 0.000 0.287 13 M C -2.297 173.995 176.300 -0.013 0.000 1.183 13 M CA -0.199 55.100 55.300 -0.002 0.000 0.916 13 M CB 2.534 35.140 32.600 0.010 0.000 1.701 13 M HN 0.760 nan 8.290 nan 0.000 0.470 14 Q N 2.519 122.304 119.800 -0.024 0.000 2.418 14 Q HA 0.740 5.093 4.340 0.023 0.000 0.282 14 Q C -2.128 173.840 176.000 -0.054 0.000 1.044 14 Q CA -1.059 54.719 55.803 -0.041 0.000 0.813 14 Q CB 2.793 31.499 28.738 -0.053 0.000 1.428 14 Q HN 0.608 nan 8.270 nan 0.000 0.402 15 V N 3.315 123.188 119.914 -0.069 0.000 2.495 15 V HA 0.687 4.821 4.120 0.023 0.000 0.298 15 V C -1.349 174.662 176.094 -0.139 0.000 1.031 15 V CA -0.693 61.556 62.300 -0.085 0.000 0.871 15 V CB 1.350 33.132 31.823 -0.067 0.000 0.988 15 V HN 0.829 nan 8.190 nan 0.000 0.432 16 I N 8.772 129.239 120.570 -0.173 0.000 2.468 16 I HA 0.432 4.616 4.170 0.023 0.000 0.284 16 I C -2.560 173.399 176.117 -0.264 0.000 1.038 16 I CA -1.949 59.185 61.300 -0.276 0.000 1.083 16 I CB 2.562 40.383 38.000 -0.299 0.000 1.223 16 I HN 0.475 nan 8.210 nan 0.000 0.443 17 P HA 0.221 nan 4.420 nan 0.000 0.276 17 P C -0.703 176.322 177.300 -0.458 0.000 1.230 17 P CA -0.092 62.687 63.100 -0.536 0.000 0.776 17 P CB 1.403 32.528 31.700 -0.959 0.000 0.888 18 V N -0.827 118.825 119.914 -0.436 0.000 3.181 18 V HA 0.994 5.128 4.120 0.023 0.000 0.308 18 V C -1.070 174.988 176.094 -0.060 0.000 1.214 18 V CA -1.443 60.752 62.300 -0.174 0.000 1.053 18 V CB 1.648 33.374 31.823 -0.161 0.000 1.069 18 V HN 0.715 nan 8.190 nan 0.000 0.441 19 A N 0.132 122.956 122.820 0.006 0.000 2.539 19 A HA 1.067 5.401 4.320 0.023 0.000 0.296 19 A C -0.139 177.377 177.584 -0.113 0.000 1.073 19 A CA -0.132 51.842 52.037 -0.106 0.000 0.700 19 A CB 1.689 20.628 19.000 -0.102 0.000 1.296 19 A HN 2.223 nan 8.150 nan 0.000 0.405 20 G N -0.686 107.800 108.800 -0.522 0.000 2.949 20 G HA2 0.616 4.590 3.960 0.023 0.000 0.285 20 G HA3 0.616 4.590 3.960 0.023 0.000 0.285 20 G C -1.449 173.376 174.900 -0.126 0.000 1.395 20 G CA -0.629 44.346 45.100 -0.209 0.000 0.901 20 G HN 0.827 nan 8.290 nan 0.000 0.519 21 H N -0.688 118.576 119.070 0.323 0.000 2.483 21 H HA 0.686 5.256 4.556 0.023 0.000 0.338 21 H C -0.804 174.700 175.328 0.292 0.000 1.152 21 H CA -0.210 55.973 56.048 0.225 0.000 1.264 21 H CB 2.026 31.847 29.762 0.099 0.000 1.510 21 H HN 0.449 nan 8.280 nan 0.000 0.530 22 D N -0.506 120.049 120.400 0.259 0.000 2.570 22 D HA 0.365 5.019 4.640 0.023 0.000 0.244 22 D C -0.603 175.791 176.300 0.157 0.000 1.178 22 D CA -0.558 53.536 54.000 0.158 0.000 0.881 22 D CB 1.782 42.646 40.800 0.106 0.000 1.453 22 D HN 0.471 nan 8.370 nan 0.000 0.447 23 S N 0.519 116.236 115.700 0.030 0.000 2.681 23 S HA 0.270 4.754 4.470 0.023 0.000 0.270 23 S C 0.744 175.224 174.600 -0.200 0.000 1.209 23 S CA -0.677 57.505 58.200 -0.031 0.000 0.988 23 S CB 0.687 63.819 63.200 -0.114 0.000 1.006 23 S HN 0.559 nan 8.310 nan 0.000 0.558 24 M N 2.332 121.659 119.600 -0.455 0.000 3.742 24 M HA 0.191 4.685 4.480 0.023 0.000 0.197 24 M C -1.258 174.772 176.300 -0.450 0.000 1.417 24 M CA -0.113 54.856 55.300 -0.552 0.000 1.653 24 M CB -1.050 30.979 32.600 -0.952 0.000 1.079 24 M HN 0.434 nan 8.290 nan 0.000 0.558 25 L N 2.798 123.626 121.223 -0.658 0.000 2.462 25 L HA 0.162 4.515 4.340 0.023 0.000 0.272 25 L C 0.183 176.791 176.870 -0.437 0.000 1.166 25 L CA -0.126 54.186 54.840 -0.879 0.000 0.880 25 L CB 0.092 40.928 42.059 -2.038 0.000 1.142 25 L HN 0.404 nan 8.230 nan 0.000 0.473 26 M N 3.757 123.302 119.600 -0.092 0.000 2.314 26 M HA 0.393 4.887 4.480 0.023 0.000 0.342 26 M C -0.149 176.276 176.300 0.209 0.000 1.171 26 M CA -0.179 55.154 55.300 0.055 0.000 1.098 26 M CB 1.061 33.713 32.600 0.087 0.000 1.559 26 M HN 0.828 nan 8.290 nan 0.000 0.459 27 N N -0.218 118.598 118.700 0.193 0.000 3.261 27 N HA 0.292 5.046 4.740 0.023 0.000 0.248 27 N C -0.187 175.480 175.510 0.261 0.000 1.498 27 N CA -0.878 52.324 53.050 0.254 0.000 0.884 27 N CB 0.985 39.676 38.487 0.339 0.000 1.428 27 N HN 0.331 nan 8.380 nan 0.000 0.517 28 L N 0.256 121.655 121.223 0.294 0.000 2.079 28 L HA 0.080 4.434 4.340 0.023 0.000 0.210 28 L C 1.684 178.931 176.870 0.628 0.000 1.081 28 L CA 1.854 56.926 54.840 0.387 0.000 0.752 28 L CB -0.671 41.587 42.059 0.332 0.000 0.896 28 L HN 0.756 nan 8.230 nan 0.000 0.433 29 S N -0.553 115.448 115.700 0.502 0.000 2.555 29 S HA 0.270 4.754 4.470 0.023 0.000 0.230 29 S C 0.949 175.817 174.600 0.446 0.000 0.978 29 S CA 0.605 59.062 58.200 0.428 0.000 0.934 29 S CB -0.415 62.940 63.200 0.258 0.000 0.766 29 S HN 0.876 nan 8.310 nan 0.000 0.533 30 G N 0.512 109.441 108.800 0.215 0.000 2.348 30 G HA2 0.252 4.226 3.960 0.023 0.000 0.199 30 G HA3 0.252 4.226 3.960 0.023 0.000 0.199 30 G C -0.956 173.867 174.900 -0.129 0.000 1.235 30 G CA -0.393 44.536 45.100 -0.286 0.000 1.264 30 G HN 0.779 nan 8.290 nan 0.000 0.543 31 A N -0.146 122.604 122.820 -0.118 0.000 2.330 31 A HA 0.780 5.113 4.320 0.023 0.000 0.313 31 A C -0.216 177.430 177.584 0.103 0.000 1.124 31 A CA -0.310 51.715 52.037 -0.020 0.000 0.774 31 A CB 0.486 19.444 19.000 -0.070 0.000 1.198 31 A HN 0.817 nan 8.150 nan 0.000 0.465 32 H N 1.263 120.277 119.070 -0.093 0.000 2.928 32 H HA 0.269 4.838 4.556 0.022 0.000 0.338 32 H C 1.027 176.369 175.328 0.024 0.000 1.047 32 H CA 0.379 56.372 56.048 -0.093 0.000 1.435 32 H CB 1.050 30.685 29.762 -0.213 0.000 1.428 32 H HN 0.858 nan 8.280 nan 0.000 0.590 33 A N 5.242 128.116 122.820 0.090 0.000 2.346 33 A HA 0.098 4.432 4.320 0.023 0.000 0.252 33 A C -1.251 176.299 177.584 -0.057 0.000 1.089 33 A CA -1.316 50.737 52.037 0.028 0.000 0.797 33 A CB 0.052 19.037 19.000 -0.027 0.000 1.047 33 A HN 0.566 nan 8.150 nan 0.000 0.494 34 P HA -0.048 nan 4.420 nan 0.000 0.223 34 P C -0.312 176.522 177.300 -0.776 0.000 1.144 34 P CA 1.276 63.855 63.100 -0.868 0.000 0.783 34 P CB -0.060 30.755 31.700 -1.476 0.000 0.771 35 F N -0.158 119.674 119.950 -0.197 0.000 2.551 35 F HA 0.455 4.995 4.527 0.023 0.000 0.316 35 F C 0.280 176.027 175.800 -0.088 0.000 1.089 35 F CA -1.503 56.370 58.000 -0.210 0.000 0.915 35 F CB 1.132 39.922 39.000 -0.349 0.000 1.186 35 F HN -0.263 nan 8.300 nan 0.000 0.456 36 F N -0.244 119.715 119.950 0.016 0.000 2.538 36 F HA 0.901 5.442 4.527 0.023 0.000 0.325 36 F C -0.364 175.440 175.800 0.007 0.000 1.066 36 F CA -1.091 56.866 58.000 -0.073 0.000 0.946 36 F CB 1.236 40.127 39.000 -0.181 0.000 1.199 36 F HN 0.477 nan 8.300 nan 0.000 0.473 37 T N 0.852 115.388 114.554 -0.031 0.000 2.912 37 T HA 0.867 5.231 4.350 0.023 0.000 0.288 37 T C -0.641 174.086 174.700 0.044 0.000 1.030 37 T CA -0.986 61.103 62.100 -0.018 0.000 1.020 37 T CB 1.997 70.952 68.868 0.145 0.000 1.056 37 T HN 0.807 nan 8.240 nan 0.000 0.480 38 R N 1.256 121.775 120.500 0.031 0.000 2.710 38 R HA 0.450 4.804 4.340 0.023 0.000 0.270 38 R C -1.429 174.852 176.300 -0.031 0.000 1.021 38 R CA -0.786 55.359 56.100 0.074 0.000 0.889 38 R CB 1.606 32.071 30.300 0.275 0.000 1.243 38 R HN 0.822 nan 8.270 nan 0.000 0.464 39 N N 0.634 119.322 118.700 -0.020 0.000 2.372 39 N HA 0.471 5.225 4.740 0.023 0.000 0.291 39 N C -0.701 174.796 175.510 -0.022 0.000 1.024 39 N CA -0.606 52.406 53.050 -0.065 0.000 0.873 39 N CB 1.463 39.918 38.487 -0.054 0.000 1.206 39 N HN 0.239 nan 8.380 nan 0.000 0.486 40 I N 2.402 122.934 120.570 -0.064 0.000 2.404 40 I HA 0.380 4.563 4.170 0.023 0.000 0.293 40 I C -0.266 175.823 176.117 -0.048 0.000 0.992 40 I CA -0.828 60.444 61.300 -0.046 0.000 1.149 40 I CB 1.363 39.311 38.000 -0.088 0.000 1.315 40 I HN 0.200 nan 8.210 nan 0.000 0.446 41 V N 7.241 127.145 119.914 -0.016 0.000 2.435 41 V HA 0.539 4.673 4.120 0.023 0.000 0.290 41 V C 0.049 176.133 176.094 -0.016 0.000 1.030 41 V CA -0.535 61.757 62.300 -0.013 0.000 0.881 41 V CB 2.206 34.038 31.823 0.014 0.000 0.983 41 V HN 0.452 nan 8.190 nan 0.000 0.445 42 I N 5.846 126.402 120.570 -0.023 0.000 2.468 42 I HA 0.545 4.729 4.170 0.023 0.000 0.285 42 I C -0.846 175.265 176.117 -0.010 0.000 1.039 42 I CA -0.255 61.033 61.300 -0.020 0.000 1.074 42 I CB 1.760 39.740 38.000 -0.033 0.000 1.228 42 I HN 0.397 nan 8.210 nan 0.000 0.436 43 I N 5.966 126.536 120.570 0.000 0.000 2.509 43 I HA 0.491 4.675 4.170 0.023 0.000 0.293 43 I C -0.446 175.678 176.117 0.012 0.000 1.020 43 I CA -0.735 60.570 61.300 0.008 0.000 1.088 43 I CB 2.125 40.135 38.000 0.016 0.000 1.267 43 I HN 0.476 nan 8.210 nan 0.000 0.430 44 K N 3.698 124.105 120.400 0.011 0.000 2.385 44 K HA 0.562 4.895 4.320 0.023 0.000 0.248 44 K C -1.578 175.026 176.600 0.008 0.000 0.955 44 K CA -0.919 55.377 56.287 0.016 0.000 0.816 44 K CB 2.557 35.061 32.500 0.007 0.000 1.250 44 K HN 0.649 nan 8.250 nan 0.000 0.434 45 D N -0.883 119.519 120.400 0.004 0.000 2.497 45 D HA 0.088 4.742 4.640 0.023 0.000 0.243 45 D C 0.371 176.640 176.300 -0.051 0.000 1.039 45 D CA -0.774 53.213 54.000 -0.021 0.000 1.052 45 D CB 0.474 41.259 40.800 -0.024 0.000 1.344 45 D HN 0.448 nan 8.370 nan 0.000 0.553 46 N N -0.541 118.123 118.700 -0.061 0.000 2.515 46 N HA -0.123 4.631 4.740 0.023 0.000 0.191 46 N C 0.624 176.069 175.510 -0.108 0.000 1.182 46 N CA 0.536 53.544 53.050 -0.070 0.000 0.879 46 N CB -0.351 38.104 38.487 -0.053 0.000 0.984 46 N HN 0.376 nan 8.380 nan 0.000 0.453 47 S N -1.964 113.637 115.700 -0.165 0.000 2.556 47 S HA 0.341 4.825 4.470 0.023 0.000 0.216 47 S C 1.293 175.655 174.600 -0.397 0.000 0.970 47 S CA 0.176 58.218 58.200 -0.262 0.000 0.912 47 S CB -0.420 62.611 63.200 -0.281 0.000 0.790 47 S HN 0.511 nan 8.310 nan 0.000 0.504 48 G N 1.078 109.719 108.800 -0.264 0.000 2.131 48 G HA2 -0.164 3.810 3.960 0.023 0.000 0.223 48 G HA3 -0.164 3.810 3.960 0.023 0.000 0.223 48 G C -0.184 174.646 174.900 -0.116 0.000 0.990 48 G CA 0.022 45.013 45.100 -0.182 0.000 0.671 48 G HN 0.633 nan 8.290 nan 0.000 0.521 49 H N -0.049 119.020 119.070 -0.001 0.000 2.544 49 H HA 0.760 5.330 4.556 0.023 0.000 0.342 49 H C -0.089 175.235 175.328 -0.007 0.000 1.185 49 H CA 0.080 56.128 56.048 -0.001 0.000 1.264 49 H CB 1.582 31.348 29.762 0.006 0.000 1.607 49 H HN 0.105 nan 8.280 nan 0.000 0.550 50 T N 0.910 115.553 114.554 0.148 0.000 2.848 50 T HA 0.552 4.916 4.350 0.023 0.000 0.285 50 T C 0.245 174.963 174.700 0.031 0.000 0.995 50 T CA -0.828 61.310 62.100 0.062 0.000 0.970 50 T CB 1.604 70.495 68.868 0.038 0.000 0.976 50 T HN 0.753 nan 8.240 nan 0.000 0.441 51 G N 1.261 110.071 108.800 0.016 0.000 2.482 51 G HA2 0.738 4.712 3.960 0.023 0.000 0.317 51 G HA3 0.738 4.712 3.960 0.023 0.000 0.317 51 G C -0.666 174.230 174.900 -0.008 0.000 1.241 51 G CA -0.762 44.335 45.100 -0.006 0.000 0.967 51 G HN 0.855 nan 8.290 nan 0.000 0.482 52 V N -0.735 119.170 119.914 -0.015 0.000 3.074 52 V HA 1.076 5.209 4.120 0.023 0.000 0.314 52 V C 0.143 176.237 176.094 0.000 0.000 1.117 52 V CA -0.398 61.896 62.300 -0.011 0.000 1.014 52 V CB 1.689 33.499 31.823 -0.022 0.000 1.057 52 V HN 1.556 nan 8.190 nan 0.000 0.438 53 G N 0.639 109.448 108.800 0.016 0.000 2.698 53 G HA2 0.653 4.626 3.960 0.023 0.000 0.293 53 G HA3 0.653 4.626 3.960 0.023 0.000 0.293 53 G C -1.867 173.076 174.900 0.071 0.000 1.437 53 G CA -0.358 44.772 45.100 0.050 0.000 0.852 53 G HN 1.186 nan 8.290 nan 0.000 0.499 54 E N -0.062 120.219 120.200 0.134 0.000 2.308 54 E HA 0.653 5.016 4.350 0.023 0.000 0.275 54 E C -0.908 175.833 176.600 0.234 0.000 0.890 54 E CA -0.831 55.666 56.400 0.162 0.000 0.754 54 E CB 2.171 31.983 29.700 0.187 0.000 1.207 54 E HN 0.726 nan 8.360 nan 0.000 0.426 55 I N -0.916 119.748 120.570 0.158 0.000 3.279 55 I HA 0.635 4.819 4.170 0.023 0.000 0.315 55 I C -2.712 173.405 176.117 -0.001 0.000 1.187 55 I CA -3.210 58.170 61.300 0.134 0.000 0.953 55 I CB 1.801 39.915 38.000 0.191 0.000 1.279 55 I HN 0.260 nan 8.210 nan 0.000 0.465 56 P HA 0.133 nan 4.420 nan 0.000 0.267 56 P C -0.044 177.202 177.300 -0.090 0.000 1.200 56 P CA 0.220 63.224 63.100 -0.161 0.000 0.772 56 P CB 0.342 31.837 31.700 -0.341 0.000 0.855 57 G N 0.523 109.296 108.800 -0.045 0.000 2.599 57 G HA2 0.545 4.518 3.960 0.023 0.000 0.264 57 G HA3 0.545 4.518 3.960 0.023 0.000 0.264 57 G C -0.113 174.795 174.900 0.013 0.000 1.200 57 G CA -0.089 45.006 45.100 -0.009 0.000 0.896 57 G HN 0.799 nan 8.290 nan 0.000 0.536 58 G N -0.585 108.250 108.800 0.060 0.000 2.326 58 G HA2 0.242 4.216 3.960 0.023 0.000 0.478 58 G HA3 0.242 4.216 3.960 0.023 0.000 0.478 58 G C 0.123 175.070 174.900 0.078 0.000 1.551 58 G CA 0.462 45.609 45.100 0.079 0.000 0.946 58 G HN 0.817 nan 8.290 nan 0.000 0.671 59 E N 0.734 120.991 120.200 0.094 0.000 2.152 59 E HA 0.009 4.373 4.350 0.023 0.000 0.192 59 E C 2.628 179.252 176.600 0.039 0.000 0.983 59 E CA 2.698 59.145 56.400 0.077 0.000 0.818 59 E CB -0.073 29.677 29.700 0.084 0.000 0.758 59 E HN 0.964 nan 8.360 nan 0.000 0.467 60 K N 1.035 121.458 120.400 0.038 0.000 2.026 60 K HA -0.087 4.247 4.320 0.023 0.000 0.208 60 K C 2.173 178.774 176.600 0.002 0.000 1.048 60 K CA 1.723 58.024 56.287 0.023 0.000 0.929 60 K CB -1.158 31.364 32.500 0.037 0.000 0.713 60 K HN 0.306 nan 8.250 nan 0.000 0.439 61 I N -0.076 120.507 120.570 0.021 0.000 2.179 61 I HA -0.241 3.943 4.170 0.023 0.000 0.242 61 I C 2.957 179.058 176.117 -0.026 0.000 1.088 61 I CA 1.366 62.673 61.300 0.012 0.000 1.357 61 I CB -0.179 37.848 38.000 0.045 0.000 1.051 61 I HN 0.366 nan 8.210 nan 0.000 0.409 62 R N 1.360 121.850 120.500 -0.018 0.000 2.083 62 R HA -0.265 4.089 4.340 0.023 0.000 0.237 62 R C 2.315 178.587 176.300 -0.045 0.000 1.137 62 R CA 2.087 58.166 56.100 -0.035 0.000 0.951 62 R CB -0.137 30.149 30.300 -0.023 0.000 0.851 62 R HN 0.123 nan 8.270 nan 0.000 0.434 63 K N -0.195 120.183 120.400 -0.037 0.000 2.025 63 K HA -0.047 4.287 4.320 0.023 0.000 0.207 63 K C 1.870 178.402 176.600 -0.113 0.000 1.049 63 K CA 2.228 58.487 56.287 -0.047 0.000 0.933 63 K CB -0.460 32.030 32.500 -0.016 0.000 0.714 63 K HN 0.099 nan 8.250 nan 0.000 0.438 64 T N 1.572 116.020 114.554 -0.177 0.000 2.665 64 T HA -0.154 4.209 4.350 0.023 0.000 0.268 64 T C 1.748 176.201 174.700 -0.411 0.000 1.035 64 T CA 1.718 63.571 62.100 -0.411 0.000 1.151 64 T CB -0.328 68.288 68.868 -0.420 0.000 0.862 64 T HN 0.128 nan 8.240 nan 0.000 0.438 65 L N 0.576 121.669 121.223 -0.216 0.000 2.042 65 L HA -0.151 4.203 4.340 0.023 0.000 0.210 65 L C 2.838 179.649 176.870 -0.098 0.000 1.076 65 L CA 1.546 56.306 54.840 -0.135 0.000 0.749 65 L CB -0.436 41.584 42.059 -0.066 0.000 0.893 65 L HN 0.366 nan 8.230 nan 0.000 0.432 66 E N -0.039 120.111 120.200 -0.085 0.000 2.077 66 E HA -0.245 4.119 4.350 0.023 0.000 0.193 66 E C 1.602 178.191 176.600 -0.018 0.000 0.989 66 E CA 1.406 57.782 56.400 -0.041 0.000 0.800 66 E CB 0.105 29.788 29.700 -0.028 0.000 0.746 66 E HN 0.444 nan 8.360 nan 0.000 0.452 67 D N 0.110 120.482 120.400 -0.047 0.000 2.218 67 D HA -0.136 4.518 4.640 0.023 0.000 0.204 67 D C 1.633 178.040 176.300 0.178 0.000 0.976 67 D CA 1.144 55.178 54.000 0.058 0.000 0.853 67 D CB -0.141 40.693 40.800 0.058 0.000 0.939 67 D HN 0.280 nan 8.370 nan 0.000 0.481 68 A N 0.477 123.334 122.820 0.061 0.000 2.067 68 A HA -0.028 4.305 4.320 0.023 0.000 0.217 68 A C 2.254 179.924 177.584 0.142 0.000 1.156 68 A CA 0.124 52.288 52.037 0.211 0.000 0.683 68 A CB -0.455 18.607 19.000 0.104 0.000 0.808 68 A HN 0.156 nan 8.150 nan 0.000 0.455 69 I N 0.699 121.316 120.570 0.077 0.000 2.103 69 I HA -0.297 3.887 4.170 0.023 0.000 0.241 69 I C -0.371 175.784 176.117 0.063 0.000 1.036 69 I CA 2.240 63.574 61.300 0.056 0.000 1.300 69 I CB -1.468 36.550 38.000 0.032 0.000 1.010 69 I HN 0.257 nan 8.210 nan 0.000 0.406 70 P HA -0.163 nan 4.420 nan 0.000 0.217 70 P C 1.817 179.152 177.300 0.059 0.000 1.148 70 P CA 1.616 64.751 63.100 0.057 0.000 0.828 70 P CB -0.196 31.538 31.700 0.056 0.000 0.783 71 L N -1.769 119.504 121.223 0.083 0.000 2.291 71 L HA -0.060 4.293 4.340 0.023 0.000 0.214 71 L C 2.278 179.188 176.870 0.065 0.000 1.120 71 L CA 0.833 55.717 54.840 0.073 0.000 0.799 71 L CB -0.626 41.496 42.059 0.104 0.000 0.925 71 L HN -0.115 nan 8.230 nan 0.000 0.446 72 V N -1.466 118.489 119.914 0.068 0.000 2.521 72 V HA 0.028 4.162 4.120 0.023 0.000 0.239 72 V C 1.232 177.353 176.094 0.044 0.000 1.053 72 V CA 0.039 62.375 62.300 0.060 0.000 1.073 72 V CB 0.359 32.220 31.823 0.064 0.000 0.746 72 V HN -0.021 nan 8.190 nan 0.000 0.476 73 V N 1.726 121.662 119.914 0.037 0.000 2.694 73 V HA 0.389 4.523 4.120 0.023 0.000 0.306 73 V C 1.531 177.638 176.094 0.021 0.000 1.054 73 V CA 1.541 63.856 62.300 0.025 0.000 1.161 73 V CB -0.108 31.727 31.823 0.020 0.000 0.916 73 V HN 0.784 nan 8.190 nan 0.000 0.490 74 G N 3.265 112.073 108.800 0.014 0.000 2.195 74 G HA2 -0.189 3.785 3.960 0.023 0.000 0.246 74 G HA3 -0.189 3.785 3.960 0.023 0.000 0.246 74 G C 0.192 175.100 174.900 0.013 0.000 0.984 74 G CA -0.087 45.019 45.100 0.011 0.000 0.633 74 G HN 0.548 nan 8.290 nan 0.000 0.525 75 K N 1.680 122.092 120.400 0.020 0.000 2.118 75 K HA 0.579 4.912 4.320 0.023 0.000 0.267 75 K C 0.886 177.498 176.600 0.021 0.000 0.991 75 K CA 0.253 56.555 56.287 0.026 0.000 0.916 75 K CB 1.171 33.696 32.500 0.041 0.000 1.041 75 K HN 0.505 nan 8.250 nan 0.000 0.455 76 T N -1.344 113.223 114.554 0.021 0.000 2.882 76 T HA 0.225 4.588 4.350 0.023 0.000 0.287 76 T C 1.788 176.508 174.700 0.033 0.000 1.014 76 T CA -0.679 61.426 62.100 0.008 0.000 1.049 76 T CB 0.413 69.282 68.868 0.002 0.000 1.001 76 T HN 0.438 nan 8.240 nan 0.000 0.525 77 L N 1.750 122.977 121.223 0.006 0.000 2.081 77 L HA 0.005 4.358 4.340 0.023 0.000 0.212 77 L C 2.964 179.922 176.870 0.147 0.000 1.080 77 L CA 1.634 56.496 54.840 0.037 0.000 0.754 77 L CB -1.268 40.772 42.059 -0.032 0.000 0.893 77 L HN 0.977 nan 8.230 nan 0.000 0.433 78 G N -0.360 108.515 108.800 0.125 0.000 2.498 78 G HA2 -0.180 3.793 3.960 0.023 0.000 0.219 78 G HA3 -0.180 3.793 3.960 0.023 0.000 0.219 78 G C 1.308 176.313 174.900 0.174 0.000 1.119 78 G CA 0.206 45.414 45.100 0.179 0.000 0.766 78 G HN 0.475 nan 8.290 nan 0.000 0.552 79 E N -0.225 120.056 120.200 0.135 0.000 2.489 79 E HA 0.014 4.377 4.350 0.023 0.000 0.193 79 E C 1.676 178.318 176.600 0.070 0.000 1.057 79 E CA -0.176 56.267 56.400 0.072 0.000 0.866 79 E CB -0.144 29.588 29.700 0.055 0.000 0.916 79 E HN 0.824 nan 8.360 nan 0.000 0.500 80 Y N 1.397 121.709 120.300 0.021 0.000 2.181 80 Y HA -0.275 4.289 4.550 0.023 0.000 0.284 80 Y C 1.740 177.658 175.900 0.031 0.000 1.179 80 Y CA 1.363 59.480 58.100 0.027 0.000 1.179 80 Y CB -0.238 38.239 38.460 0.027 0.000 0.973 80 Y HN -0.168 nan 8.280 nan 0.000 0.519 81 K N 0.250 120.192 120.400 -0.764 0.000 2.103 81 K HA -0.103 4.231 4.320 0.023 0.000 0.204 81 K C 1.723 178.197 176.600 -0.210 0.000 1.052 81 K CA 1.198 57.150 56.287 -0.559 0.000 0.945 81 K CB -0.224 31.949 32.500 -0.545 0.000 0.722 81 K HN 0.359 nan 8.250 nan 0.000 0.443 82 N N 0.925 119.536 118.700 -0.147 0.000 2.120 82 N HA -0.124 4.630 4.740 0.023 0.000 0.188 82 N C 1.912 177.406 175.510 -0.027 0.000 1.024 82 N CA 0.892 53.902 53.050 -0.066 0.000 0.852 82 N CB -0.473 37.989 38.487 -0.041 0.000 1.003 82 N HN -0.069 nan 8.380 nan 0.000 0.424 83 V N 1.818 121.729 119.914 -0.005 0.000 2.295 83 V HA -0.181 3.953 4.120 0.023 0.000 0.246 83 V C 2.382 178.505 176.094 0.048 0.000 1.049 83 V CA 1.251 63.573 62.300 0.037 0.000 1.024 83 V CB -0.574 31.292 31.823 0.073 0.000 0.648 83 V HN 0.237 nan 8.190 nan 0.000 0.447 84 L N -0.454 120.793 121.223 0.040 0.000 2.079 84 L HA -0.187 4.167 4.340 0.023 0.000 0.210 84 L C 2.574 179.475 176.870 0.051 0.000 1.081 84 L CA 1.898 56.775 54.840 0.062 0.000 0.752 84 L CB -0.962 41.133 42.059 0.061 0.000 0.896 84 L HN 0.360 nan 8.230 nan 0.000 0.433 85 T N 0.059 114.623 114.554 0.015 0.000 2.812 85 T HA -0.145 4.218 4.350 0.023 0.000 0.264 85 T C 1.805 176.517 174.700 0.019 0.000 1.042 85 T CA 1.133 63.241 62.100 0.014 0.000 1.140 85 T CB -0.174 68.687 68.868 -0.012 0.000 0.870 85 T HN 0.138 nan 8.240 nan 0.000 0.445 86 L N 1.583 122.814 121.223 0.013 0.000 1.989 86 L HA -0.062 4.292 4.340 0.023 0.000 0.211 86 L C 2.427 179.306 176.870 0.015 0.000 1.071 86 L CA 1.632 56.473 54.840 0.002 0.000 0.749 86 L CB -0.997 41.063 42.059 0.003 0.000 0.890 86 L HN 0.058 nan 8.230 nan 0.000 0.431 87 V N 0.290 120.253 119.914 0.081 0.000 2.250 87 V HA -0.390 3.744 4.120 0.023 0.000 0.250 87 V C 2.832 179.056 176.094 0.216 0.000 1.060 87 V CA 2.442 64.860 62.300 0.197 0.000 1.030 87 V CB -0.786 31.171 31.823 0.223 0.000 0.643 87 V HN 0.586 nan 8.190 nan 0.000 0.445 88 R N 0.014 120.600 120.500 0.143 0.000 2.103 88 R HA -0.204 4.150 4.340 0.023 0.000 0.242 88 R C 2.164 178.514 176.300 0.084 0.000 1.142 88 R CA 2.136 58.311 56.100 0.124 0.000 0.960 88 R CB -0.256 30.094 30.300 0.084 0.000 0.858 88 R HN 0.577 nan 8.270 nan 0.000 0.439 89 N N -0.685 118.031 118.700 0.027 0.000 2.250 89 N HA -0.078 4.676 4.740 0.023 0.000 0.181 89 N C 1.577 177.037 175.510 -0.083 0.000 1.017 89 N CA 1.607 54.647 53.050 -0.016 0.000 0.866 89 N CB -0.406 38.066 38.487 -0.025 0.000 0.985 89 N HN 0.200 nan 8.380 nan 0.000 0.429 90 T N 0.254 114.700 114.554 -0.180 0.000 2.788 90 T HA -0.050 4.313 4.350 0.023 0.000 0.268 90 T C 0.758 175.116 174.700 -0.570 0.000 1.044 90 T CA 1.065 62.887 62.100 -0.463 0.000 1.139 90 T CB -0.180 68.216 68.868 -0.787 0.000 0.867 90 T HN 0.196 nan 8.240 nan 0.000 0.454 91 F N 0.198 120.160 119.950 0.019 0.000 2.708 91 F HA 0.598 5.138 4.527 0.022 0.000 0.300 91 F C 1.731 177.541 175.800 0.017 0.000 1.118 91 F CA -0.828 57.184 58.000 0.020 0.000 1.307 91 F CB -0.552 38.464 39.000 0.026 0.000 0.986 91 F HN 0.033 nan 8.300 nan 0.000 0.522 92 A N 1.190 124.084 122.820 0.124 0.000 1.881 92 A HA -0.347 3.986 4.320 0.023 0.000 0.219 92 A C 1.865 179.494 177.584 0.076 0.000 1.215 92 A CA 2.578 54.666 52.037 0.085 0.000 0.648 92 A CB -1.161 17.865 19.000 0.042 0.000 0.832 92 A HN 0.549 nan 8.150 nan 0.000 0.455 93 D N -0.575 119.864 120.400 0.065 0.000 2.401 93 D HA -0.211 4.443 4.640 0.023 0.000 0.217 93 D C 1.563 177.900 176.300 0.061 0.000 0.978 93 D CA 1.469 55.501 54.000 0.053 0.000 0.951 93 D CB -0.353 40.476 40.800 0.048 0.000 0.879 93 D HN 0.641 nan 8.370 nan 0.000 0.497 94 R N -0.191 120.359 120.500 0.083 0.000 2.246 94 R HA 0.064 4.418 4.340 0.023 0.000 0.199 94 R C 0.164 176.492 176.300 0.046 0.000 0.984 94 R CA 0.582 56.725 56.100 0.072 0.000 1.015 94 R CB 0.210 30.564 30.300 0.091 0.000 0.930 94 R HN 0.170 nan 8.270 nan 0.000 0.475 95 D N 0.963 121.385 120.400 0.037 0.000 2.889 95 D HA 0.173 4.827 4.640 0.023 0.000 0.243 95 D C 0.887 177.188 176.300 0.002 0.000 1.270 95 D CA -0.060 53.947 54.000 0.011 0.000 0.838 95 D CB 0.637 41.433 40.800 -0.007 0.000 1.040 95 D HN 0.119 nan 8.370 nan 0.000 0.480 96 A N 0.527 123.352 122.820 0.009 0.000 1.859 96 A HA -0.082 4.252 4.320 0.023 0.000 0.217 96 A C 2.124 179.704 177.584 -0.007 0.000 1.198 96 A CA 1.740 53.780 52.037 0.004 0.000 0.629 96 A CB -0.821 18.185 19.000 0.010 0.000 0.830 96 A HN 0.382 nan 8.150 nan 0.000 0.446 97 G N -1.511 107.282 108.800 -0.012 0.000 3.124 97 G HA2 0.449 4.423 3.960 0.023 0.000 0.212 97 G HA3 0.449 4.423 3.960 0.023 0.000 0.212 97 G C 1.044 175.919 174.900 -0.041 0.000 1.181 97 G CA 0.661 45.748 45.100 -0.023 0.000 0.803 97 G HN 1.579 nan 8.290 nan 0.000 0.529 98 G N 0.903 109.675 108.800 -0.046 0.000 2.575 98 G HA2 -0.374 3.600 3.960 0.023 0.000 0.267 98 G HA3 -0.374 3.600 3.960 0.023 0.000 0.267 98 G C 1.180 176.020 174.900 -0.100 0.000 1.264 98 G CA 0.709 45.764 45.100 -0.074 0.000 0.935 98 G HN 0.857 nan 8.290 nan 0.000 0.568 99 R N 0.802 121.216 120.500 -0.144 0.000 2.148 99 R HA 0.385 4.738 4.340 0.023 0.000 0.223 99 R C 1.539 177.727 176.300 -0.186 0.000 1.088 99 R CA 1.773 57.756 56.100 -0.194 0.000 0.985 99 R CB -0.532 29.593 30.300 -0.291 0.000 0.880 99 R HN 2.720 nan 8.270 nan 0.000 0.451 100 G N 0.383 109.095 108.800 -0.147 0.000 2.698 100 G HA2 -0.250 3.724 3.960 0.023 0.000 0.225 100 G HA3 -0.250 3.724 3.960 0.023 0.000 0.225 100 G C 0.026 174.841 174.900 -0.141 0.000 1.345 100 G CA -0.143 44.871 45.100 -0.143 0.000 0.871 100 G HN 0.148 nan 8.290 nan 0.000 0.540 101 L N 0.704 121.856 121.223 -0.119 0.000 2.640 101 L HA 0.196 4.550 4.340 0.023 0.000 0.230 101 L C 1.374 178.205 176.870 -0.066 0.000 1.123 101 L CA -0.148 54.678 54.840 -0.023 0.000 0.900 101 L CB -0.104 42.029 42.059 0.123 0.000 1.146 101 L HN 0.442 nan 8.230 nan 0.000 0.484 102 Q N 0.156 119.728 119.800 -0.381 0.000 2.500 102 Q HA 0.043 4.397 4.340 0.023 0.000 0.215 102 Q C 1.558 177.369 176.000 -0.314 0.000 1.062 102 Q CA 0.592 56.015 55.803 -0.634 0.000 0.996 102 Q CB 0.517 28.482 28.738 -1.290 0.000 1.239 102 Q HN 0.189 nan 8.270 nan 0.000 0.578 103 T N -2.739 111.733 114.554 -0.138 0.000 3.035 103 T HA 0.033 4.397 4.350 0.023 0.000 0.268 103 T C 0.673 175.492 174.700 0.199 0.000 1.109 103 T CA 0.489 62.661 62.100 0.121 0.000 1.119 103 T CB -0.237 68.794 68.868 0.273 0.000 0.900 103 T HN 0.387 nan 8.240 nan 0.000 0.503 104 F N -0.077 119.881 119.950 0.014 0.000 2.541 104 F HA 0.732 5.273 4.527 0.023 0.000 0.331 104 F C -0.327 175.420 175.800 -0.088 0.000 1.057 104 F CA -2.731 55.278 58.000 0.014 0.000 0.975 104 F CB 0.466 39.475 39.000 0.016 0.000 1.246 104 F HN -0.234 nan 8.300 nan 0.000 0.484 105 D N 1.825 122.241 120.400 0.026 0.000 2.317 105 D HA 0.195 4.849 4.640 0.023 0.000 0.252 105 D C 0.675 177.012 176.300 0.060 0.000 1.174 105 D CA -0.032 53.894 54.000 -0.123 0.000 0.866 105 D CB 1.160 41.755 40.800 -0.342 0.000 1.127 105 D HN 0.696 nan 8.370 nan 0.000 0.467 106 L N 3.239 124.424 121.223 -0.063 0.000 2.627 106 L HA 0.118 4.472 4.340 0.023 0.000 0.233 106 L C 1.433 178.344 176.870 0.069 0.000 1.144 106 L CA 0.071 54.914 54.840 0.005 0.000 0.892 106 L CB -0.178 41.827 42.059 -0.090 0.000 1.039 106 L HN 0.095 nan 8.230 nan 0.000 0.442 107 R N -0.604 119.945 120.500 0.081 0.000 2.801 107 R HA 0.145 4.499 4.340 0.023 0.000 0.273 107 R C 0.872 177.277 176.300 0.176 0.000 1.080 107 R CA 0.349 56.470 56.100 0.035 0.000 1.197 107 R CB 0.722 30.946 30.300 -0.127 0.000 1.109 107 R HN -0.090 nan 8.270 nan 0.000 0.535 108 T N -1.095 113.511 114.554 0.087 0.000 3.321 108 T HA -0.011 4.352 4.350 0.023 0.000 0.251 108 T C 1.580 176.326 174.700 0.077 0.000 0.999 108 T CA 0.313 62.502 62.100 0.148 0.000 1.186 108 T CB 0.044 68.964 68.868 0.087 0.000 1.163 108 T HN 0.539 nan 8.240 nan 0.000 0.399 109 T N 2.780 117.354 114.554 0.033 0.000 2.759 109 T HA -0.058 4.306 4.350 0.023 0.000 0.269 109 T C 1.863 176.578 174.700 0.024 0.000 1.042 109 T CA 0.960 63.086 62.100 0.044 0.000 1.140 109 T CB -0.333 68.591 68.868 0.093 0.000 0.864 109 T HN 0.057 nan 8.240 nan 0.000 0.455 110 I N 0.993 121.525 120.570 -0.063 0.000 2.179 110 I HA -0.142 4.041 4.170 0.023 0.000 0.242 110 I C 2.107 178.193 176.117 -0.051 0.000 1.088 110 I CA 1.416 62.657 61.300 -0.098 0.000 1.357 110 I CB -0.469 37.411 38.000 -0.199 0.000 1.051 110 I HN 0.383 nan 8.210 nan 0.000 0.409 111 H N -1.486 117.657 119.070 0.122 0.000 2.353 111 H HA -0.129 4.441 4.556 0.023 0.000 0.300 111 H C 2.304 177.697 175.328 0.108 0.000 1.090 111 H CA 1.651 57.785 56.048 0.143 0.000 1.327 111 H CB -0.338 29.503 29.762 0.133 0.000 1.383 111 H HN 0.160 nan 8.280 nan 0.000 0.508 112 V N 0.291 120.312 119.914 0.178 0.000 2.255 112 V HA -0.274 3.860 4.120 0.023 0.000 0.247 112 V C 2.410 178.563 176.094 0.100 0.000 1.051 112 V CA 1.731 64.087 62.300 0.093 0.000 1.018 112 V CB -0.531 31.292 31.823 -0.000 0.000 0.641 112 V HN 0.273 nan 8.190 nan 0.000 0.445 113 V N -0.202 119.775 119.914 0.105 0.000 2.287 113 V HA -0.297 3.837 4.120 0.023 0.000 0.248 113 V C 2.572 178.741 176.094 0.124 0.000 1.053 113 V CA 2.685 65.053 62.300 0.113 0.000 1.027 113 V CB -1.012 30.876 31.823 0.109 0.000 0.646 113 V HN 0.646 nan 8.190 nan 0.000 0.447 114 T N 0.222 114.861 114.554 0.141 0.000 2.720 114 T HA -0.155 4.209 4.350 0.023 0.000 0.268 114 T C 1.906 176.690 174.700 0.140 0.000 1.037 114 T CA 1.582 63.770 62.100 0.148 0.000 1.144 114 T CB -0.735 68.244 68.868 0.185 0.000 0.864 114 T HN 0.636 nan 8.240 nan 0.000 0.444 115 G N 1.322 110.213 108.800 0.152 0.000 2.446 115 G HA2 -0.178 3.796 3.960 0.023 0.000 0.217 115 G HA3 -0.178 3.796 3.960 0.023 0.000 0.217 115 G C 1.519 176.473 174.900 0.090 0.000 1.168 115 G CA 0.689 45.863 45.100 0.123 0.000 0.771 115 G HN 0.512 nan 8.290 nan 0.000 0.551 116 I N 0.308 120.933 120.570 0.090 0.000 2.315 116 I HA -0.081 4.103 4.170 0.023 0.000 0.248 116 I C 2.610 178.785 176.117 0.097 0.000 1.117 116 I CA 1.153 62.503 61.300 0.084 0.000 1.404 116 I CB -0.198 37.857 38.000 0.091 0.000 1.071 116 I HN 0.312 nan 8.210 nan 0.000 0.419 117 E N 1.561 121.830 120.200 0.115 0.000 2.038 117 E HA -0.285 4.079 4.350 0.023 0.000 0.195 117 E C 2.305 178.954 176.600 0.081 0.000 1.000 117 E CA 1.572 58.053 56.400 0.133 0.000 0.803 117 E CB -0.063 29.723 29.700 0.142 0.000 0.750 117 E HN 0.454 nan 8.360 nan 0.000 0.448 118 A N 1.462 124.321 122.820 0.065 0.000 1.869 118 A HA -0.251 4.083 4.320 0.023 0.000 0.218 118 A C 2.490 180.076 177.584 0.003 0.000 1.203 118 A CA 2.692 54.747 52.037 0.031 0.000 0.638 118 A CB -1.253 17.773 19.000 0.044 0.000 0.831 118 A HN 0.474 nan 8.150 nan 0.000 0.450 119 A N -1.345 121.485 122.820 0.017 0.000 1.908 119 A HA -0.166 4.168 4.320 0.023 0.000 0.218 119 A C 2.207 179.784 177.584 -0.013 0.000 1.181 119 A CA 2.203 54.242 52.037 0.003 0.000 0.627 119 A CB -0.499 18.510 19.000 0.015 0.000 0.818 119 A HN 0.474 nan 8.150 nan 0.000 0.445 120 M N -0.723 118.876 119.600 -0.002 0.000 2.175 120 M HA 0.005 4.498 4.480 0.023 0.000 0.264 120 M C 2.174 178.381 176.300 -0.155 0.000 1.063 120 M CA 1.114 56.393 55.300 -0.035 0.000 1.119 120 M CB -1.262 31.367 32.600 0.049 0.000 1.377 120 M HN 0.399 nan 8.290 nan 0.000 0.415 121 L N -0.219 120.913 121.223 -0.153 0.000 2.056 121 L HA -0.234 4.120 4.340 0.023 0.000 0.207 121 L C 2.299 179.066 176.870 -0.172 0.000 1.078 121 L CA 1.183 55.890 54.840 -0.221 0.000 0.749 121 L CB -0.652 41.325 42.059 -0.136 0.000 0.901 121 L HN 0.254 nan 8.230 nan 0.000 0.433 122 D N 0.390 120.719 120.400 -0.118 0.000 2.106 122 D HA -0.208 4.446 4.640 0.023 0.000 0.191 122 D C 2.324 178.567 176.300 -0.096 0.000 0.997 122 D CA 1.448 55.383 54.000 -0.108 0.000 0.834 122 D CB -0.077 40.681 40.800 -0.070 0.000 0.956 122 D HN 0.183 nan 8.370 nan 0.000 0.448 123 L N -0.234 120.950 121.223 -0.066 0.000 2.012 123 L HA -0.186 4.168 4.340 0.023 0.000 0.210 123 L C 2.632 179.496 176.870 -0.010 0.000 1.073 123 L CA 0.660 55.489 54.840 -0.019 0.000 0.748 123 L CB -0.468 41.595 42.059 0.006 0.000 0.891 123 L HN 0.167 nan 8.230 nan 0.000 0.431 124 L N 0.199 121.374 121.223 -0.080 0.000 2.012 124 L HA -0.121 4.233 4.340 0.023 0.000 0.210 124 L C 2.402 179.250 176.870 -0.037 0.000 1.073 124 L CA 2.211 57.008 54.840 -0.073 0.000 0.748 124 L CB -1.064 40.840 42.059 -0.258 0.000 0.891 124 L HN 0.166 nan 8.230 nan 0.000 0.431 125 G N -1.654 107.085 108.800 -0.102 0.000 2.440 125 G HA2 -0.302 3.671 3.960 0.023 0.000 0.218 125 G HA3 -0.302 3.671 3.960 0.023 0.000 0.218 125 G C 1.485 176.332 174.900 -0.087 0.000 1.154 125 G CA 0.821 45.859 45.100 -0.103 0.000 0.767 125 G HN 0.538 nan 8.290 nan 0.000 0.552 126 Q N -0.888 118.850 119.800 -0.103 0.000 2.124 126 Q HA -0.147 4.206 4.340 0.023 0.000 0.202 126 Q C 2.282 178.251 176.000 -0.052 0.000 0.977 126 Q CA 1.488 57.188 55.803 -0.171 0.000 0.850 126 Q CB -0.171 28.354 28.738 -0.356 0.000 0.901 126 Q HN 0.747 nan 8.270 nan 0.000 0.429 127 H N 0.381 119.441 119.070 -0.017 0.000 2.333 127 H HA 0.000 4.570 4.556 0.023 0.000 0.302 127 H C 1.583 176.932 175.328 0.034 0.000 1.075 127 H CA 1.268 57.356 56.048 0.066 0.000 1.348 127 H CB -0.058 29.747 29.762 0.071 0.000 1.393 127 H HN 0.107 nan 8.280 nan 0.000 0.509 128 L N -0.429 120.715 121.223 -0.132 0.000 2.552 128 L HA 0.119 4.473 4.340 0.023 0.000 0.227 128 L C 1.402 178.198 176.870 -0.123 0.000 1.146 128 L CA 0.563 55.304 54.840 -0.165 0.000 0.858 128 L CB -0.247 41.778 42.059 -0.058 0.000 0.969 128 L HN 0.653 nan 8.230 nan 0.000 0.451 129 G N 1.175 109.912 108.800 -0.104 0.000 2.246 129 G HA2 -0.221 3.753 3.960 0.023 0.000 0.273 129 G HA3 -0.221 3.753 3.960 0.023 0.000 0.273 129 G C 0.029 174.894 174.900 -0.059 0.000 1.055 129 G CA 0.364 45.418 45.100 -0.077 0.000 0.851 129 G HN 0.342 nan 8.290 nan 0.000 0.500 130 V N -2.973 116.903 119.914 -0.063 0.000 3.007 130 V HA 0.874 5.008 4.120 0.023 0.000 0.311 130 V C 0.147 176.202 176.094 -0.065 0.000 1.120 130 V CA -1.066 61.204 62.300 -0.050 0.000 0.980 130 V CB 1.860 33.658 31.823 -0.041 0.000 1.033 130 V HN 0.743 nan 8.190 nan 0.000 0.429 131 N N 2.060 120.735 118.700 -0.042 0.000 2.326 131 N HA 0.175 4.929 4.740 0.023 0.000 0.239 131 N C 0.912 176.319 175.510 -0.171 0.000 1.301 131 N CA 0.220 53.227 53.050 -0.071 0.000 0.909 131 N CB 0.864 39.412 38.487 0.102 0.000 1.156 131 N HN 0.463 nan 8.380 nan 0.000 0.462 132 V N 0.106 119.735 119.914 -0.475 0.000 2.332 132 V HA -0.248 3.886 4.120 0.023 0.000 0.248 132 V C 2.458 178.488 176.094 -0.106 0.000 1.055 132 V CA 2.442 64.518 62.300 -0.374 0.000 1.038 132 V CB -1.522 29.990 31.823 -0.518 0.000 0.651 132 V HN 0.877 nan 8.190 nan 0.000 0.450 133 A N -0.416 122.469 122.820 0.108 0.000 1.986 133 A HA -0.239 4.094 4.320 0.023 0.000 0.220 133 A C 2.358 179.967 177.584 0.041 0.000 1.171 133 A CA 2.309 54.435 52.037 0.149 0.000 0.640 133 A CB -0.595 18.536 19.000 0.219 0.000 0.811 133 A HN 0.535 nan 8.150 nan 0.000 0.451 134 S N -0.767 114.943 115.700 0.017 0.000 2.561 134 S HA 0.178 4.661 4.470 0.023 0.000 0.225 134 S C 1.244 175.836 174.600 -0.013 0.000 0.977 134 S CA 0.456 58.653 58.200 -0.004 0.000 0.926 134 S CB -0.145 63.048 63.200 -0.010 0.000 0.769 134 S HN 0.528 nan 8.310 nan 0.000 0.533 135 L N 0.569 121.779 121.223 -0.022 0.000 2.640 135 L HA 0.348 4.702 4.340 0.023 0.000 0.230 135 L C -0.120 176.760 176.870 0.016 0.000 1.123 135 L CA 0.257 55.090 54.840 -0.013 0.000 0.900 135 L CB 0.083 42.110 42.059 -0.054 0.000 1.146 135 L HN 0.179 nan 8.230 nan 0.000 0.484 136 L N -1.401 119.827 121.223 0.008 0.000 2.330 136 L HA 0.628 4.982 4.340 0.023 0.000 0.271 136 L C 1.293 178.156 176.870 -0.012 0.000 1.013 136 L CA -0.331 54.517 54.840 0.013 0.000 0.816 136 L CB 1.409 43.473 42.059 0.009 0.000 1.287 136 L HN 0.131 nan 8.230 nan 0.000 0.435 137 G N 1.220 110.011 108.800 -0.015 0.000 2.685 137 G HA2 -0.334 3.640 3.960 0.023 0.000 0.329 137 G HA3 -0.334 3.640 3.960 0.023 0.000 0.329 137 G C 0.309 175.188 174.900 -0.035 0.000 1.271 137 G CA 0.663 45.739 45.100 -0.041 0.000 1.003 137 G HN 0.730 nan 8.290 nan 0.000 0.549 138 D N 2.907 123.274 120.400 -0.054 0.000 2.525 138 D HA 0.475 5.129 4.640 0.023 0.000 0.229 138 D C 1.256 177.531 176.300 -0.041 0.000 1.202 138 D CA 1.668 55.641 54.000 -0.044 0.000 0.828 138 D CB -0.081 40.690 40.800 -0.049 0.000 1.008 138 D HN 1.489 nan 8.370 nan 0.000 0.493 139 G N 1.182 109.960 108.800 -0.037 0.000 2.698 139 G HA2 -0.252 3.722 3.960 0.023 0.000 0.225 139 G HA3 -0.252 3.722 3.960 0.023 0.000 0.225 139 G C -0.283 174.594 174.900 -0.039 0.000 1.345 139 G CA -0.831 44.252 45.100 -0.029 0.000 0.871 139 G HN 0.275 nan 8.290 nan 0.000 0.540 140 Q N 0.052 119.836 119.800 -0.026 0.000 2.289 140 Q HA 0.295 4.649 4.340 0.023 0.000 0.273 140 Q C 1.166 177.137 176.000 -0.049 0.000 1.029 140 Q CA 0.178 55.964 55.803 -0.028 0.000 0.896 140 Q CB 0.368 29.101 28.738 -0.008 0.000 1.182 140 Q HN 0.529 nan 8.270 nan 0.000 0.385 141 Q N 3.098 122.858 119.800 -0.067 0.000 2.378 141 Q HA 0.128 4.482 4.340 0.023 0.000 0.229 141 Q C -0.018 175.941 176.000 -0.069 0.000 0.882 141 Q CA 0.651 56.403 55.803 -0.084 0.000 0.936 141 Q CB 0.886 29.546 28.738 -0.131 0.000 1.092 141 Q HN 0.655 nan 8.270 nan 0.000 0.535 142 R N -0.903 119.563 120.500 -0.056 0.000 2.764 142 R HA 0.497 4.851 4.340 0.023 0.000 0.270 142 R C 0.265 176.539 176.300 -0.043 0.000 1.014 142 R CA -0.105 55.968 56.100 -0.045 0.000 0.904 142 R CB 0.513 30.790 30.300 -0.039 0.000 1.236 142 R HN -0.102 nan 8.270 nan 0.000 0.466 143 S N -1.383 114.292 115.700 -0.042 0.000 2.523 143 S HA 0.089 4.573 4.470 0.023 0.000 0.217 143 S C -0.133 174.430 174.600 -0.063 0.000 0.996 143 S CA -0.088 58.081 58.200 -0.052 0.000 0.921 143 S CB -0.213 62.959 63.200 -0.046 0.000 0.829 143 S HN 0.691 nan 8.310 nan 0.000 0.495 144 E N -0.182 119.991 120.200 -0.045 0.000 2.372 144 E HA 0.645 5.009 4.350 0.023 0.000 0.279 144 E C -1.816 174.781 176.600 -0.006 0.000 0.946 144 E CA -1.173 55.203 56.400 -0.039 0.000 0.769 144 E CB 1.899 31.579 29.700 -0.033 0.000 1.230 144 E HN -0.016 nan 8.360 nan 0.000 0.442 145 V N 1.365 121.289 119.914 0.017 0.000 2.540 145 V HA 0.323 4.457 4.120 0.023 0.000 0.302 145 V C -0.381 175.765 176.094 0.088 0.000 1.035 145 V CA -0.762 61.579 62.300 0.068 0.000 0.873 145 V CB 1.534 33.422 31.823 0.109 0.000 0.992 145 V HN 0.814 nan 8.190 nan 0.000 0.428 146 E N 4.860 125.113 120.200 0.089 0.000 2.283 146 E HA 0.517 4.881 4.350 0.023 0.000 0.278 146 E C -0.819 175.851 176.600 0.116 0.000 1.027 146 E CA -0.555 55.899 56.400 0.090 0.000 0.843 146 E CB 0.857 30.595 29.700 0.063 0.000 1.062 146 E HN 0.514 nan 8.360 nan 0.000 0.401 147 M N 3.866 123.559 119.600 0.156 0.000 2.664 147 M HA 0.342 4.835 4.480 0.023 0.000 0.314 147 M C -0.629 175.735 176.300 0.106 0.000 1.200 147 M CA -1.176 54.225 55.300 0.168 0.000 0.916 147 M CB 1.086 33.871 32.600 0.308 0.000 1.717 147 M HN 0.493 nan 8.290 nan 0.000 0.470 148 L N -0.216 120.939 121.223 -0.114 0.000 2.365 148 L HA 0.959 5.312 4.340 0.023 0.000 0.267 148 L C 0.458 176.694 176.870 -1.056 0.000 1.033 148 L CA -0.523 54.053 54.840 -0.438 0.000 0.802 148 L CB 0.113 41.946 42.059 -0.376 0.000 1.267 148 L HN 0.727 nan 8.230 nan 0.000 0.457 149 G N -0.048 107.769 108.800 -1.639 0.000 2.391 149 G HA2 0.264 4.238 3.960 0.023 0.000 0.305 149 G HA3 0.264 4.238 3.960 0.023 0.000 0.305 149 G C -1.078 173.508 174.900 -0.523 0.000 1.072 149 G CA -0.146 43.911 45.100 -1.739 0.000 1.016 149 G HN 0.545 nan 8.290 nan 0.000 0.418 150 Y N 4.760 124.804 120.300 -0.426 0.000 2.613 150 Y HA 0.361 4.925 4.550 0.024 0.000 0.354 150 Y C 0.399 176.428 175.900 0.214 0.000 1.063 150 Y CA -1.353 56.685 58.100 -0.104 0.000 1.384 150 Y CB -0.082 38.352 38.460 -0.044 0.000 1.199 150 Y HN 0.321 nan 8.280 nan 0.000 0.517 151 L N 5.386 126.861 121.223 0.420 0.000 2.399 151 L HA 0.541 4.895 4.340 0.023 0.000 0.265 151 L C -0.678 176.357 176.870 0.274 0.000 1.089 151 L CA -0.586 54.530 54.840 0.460 0.000 0.802 151 L CB 1.061 43.210 42.059 0.149 0.000 1.180 151 L HN 0.330 nan 8.230 nan 0.000 0.454 152 F N -0.676 119.393 119.950 0.199 0.000 2.643 152 F HA 0.489 5.030 4.527 0.024 0.000 0.314 152 F C -0.409 175.288 175.800 -0.172 0.000 1.096 152 F CA -0.586 57.360 58.000 -0.090 0.000 0.953 152 F CB 1.713 40.527 39.000 -0.310 0.000 1.345 152 F HN 0.086 nan 8.300 nan 0.000 0.468 153 F N 1.520 121.597 119.950 0.212 0.000 2.412 153 F HA 0.499 5.039 4.527 0.022 0.000 0.348 153 F C 0.022 175.859 175.800 0.061 0.000 1.102 153 F CA -0.674 57.401 58.000 0.126 0.000 1.196 153 F CB 0.833 39.878 39.000 0.076 0.000 1.144 153 F HN -0.110 nan 8.300 nan 0.000 0.541 154 V N 3.075 123.114 119.914 0.210 0.000 2.384 154 V HA 0.550 4.684 4.120 0.023 0.000 0.287 154 V C 0.563 176.649 176.094 -0.014 0.000 1.020 154 V CA -0.965 61.345 62.300 0.016 0.000 0.850 154 V CB 1.024 32.857 31.823 0.016 0.000 0.987 154 V HN 0.920 nan 8.190 nan 0.000 0.436 155 G N 2.285 111.017 108.800 -0.113 0.000 2.606 155 G HA2 0.148 4.122 3.960 0.023 0.000 0.252 155 G HA3 0.148 4.122 3.960 0.023 0.000 0.252 155 G C 0.098 174.902 174.900 -0.161 0.000 1.206 155 G CA -0.421 44.603 45.100 -0.126 0.000 0.861 155 G HN 0.682 nan 8.290 nan 0.000 0.561 156 N N 0.218 118.846 118.700 -0.120 0.000 2.508 156 N HA -0.016 4.737 4.740 0.023 0.000 0.253 156 N C 2.006 177.423 175.510 -0.154 0.000 1.145 156 N CA -0.472 52.512 53.050 -0.110 0.000 0.973 156 N CB 0.373 38.826 38.487 -0.057 0.000 1.305 156 N HN 0.619 nan 8.380 nan 0.000 0.506 157 R N 2.652 123.009 120.500 -0.238 0.000 2.211 157 R HA -0.149 4.204 4.340 0.023 0.000 0.240 157 R C 0.700 176.959 176.300 -0.069 0.000 1.144 157 R CA 1.233 57.180 56.100 -0.254 0.000 0.992 157 R CB -0.141 30.001 30.300 -0.263 0.000 0.869 157 R HN 0.362 nan 8.270 nan 0.000 0.462 158 K N 0.441 120.803 120.400 -0.062 0.000 2.432 158 K HA 0.093 4.426 4.320 0.023 0.000 0.196 158 K C 1.702 178.280 176.600 -0.037 0.000 1.038 158 K CA 0.724 56.989 56.287 -0.037 0.000 0.986 158 K CB 0.226 32.709 32.500 -0.029 0.000 0.782 158 K HN 0.303 nan 8.250 nan 0.000 0.485 159 A N 1.576 124.373 122.820 -0.039 0.000 2.235 159 A HA -0.030 4.304 4.320 0.023 0.000 0.208 159 A C 0.908 178.477 177.584 -0.025 0.000 1.172 159 A CA 0.746 52.774 52.037 -0.015 0.000 0.786 159 A CB -0.328 18.670 19.000 -0.002 0.000 0.804 159 A HN 0.326 nan 8.150 nan 0.000 0.479 160 T N -5.179 109.316 114.554 -0.098 0.000 2.883 160 T HA 0.592 4.956 4.350 0.023 0.000 0.296 160 T C -2.843 171.688 174.700 -0.281 0.000 1.117 160 T CA -1.360 60.556 62.100 -0.307 0.000 1.006 160 T CB 2.185 70.865 68.868 -0.314 0.000 1.191 160 T HN -0.081 nan 8.240 nan 0.000 0.508 161 P HA 0.338 nan 4.420 nan 0.000 0.261 161 P C 0.102 177.260 177.300 -0.236 0.000 1.268 161 P CA -0.265 62.678 63.100 -0.262 0.000 0.833 161 P CB 0.013 31.584 31.700 -0.215 0.000 1.231 162 L N 2.577 123.619 121.223 -0.302 0.000 2.426 162 L HA 0.198 4.552 4.340 0.023 0.000 0.271 162 L C -1.426 175.267 176.870 -0.296 0.000 1.169 162 L CA -1.884 52.770 54.840 -0.310 0.000 0.836 162 L CB -0.048 41.749 42.059 -0.437 0.000 1.112 162 L HN -0.174 nan 8.230 nan 0.000 0.465 163 P HA 0.004 nan 4.420 nan 0.000 0.232 163 P C -0.810 176.252 177.300 -0.397 0.000 1.738 163 P CA 0.009 62.953 63.100 -0.260 0.000 0.948 163 P CB -0.543 31.060 31.700 -0.161 0.000 1.943 164 Y N 0.447 120.617 120.300 -0.216 0.000 2.497 164 Y HA 0.031 4.595 4.550 0.023 0.000 0.334 164 Y C 1.712 177.495 175.900 -0.195 0.000 1.199 164 Y CA 0.034 58.009 58.100 -0.208 0.000 1.425 164 Y CB 0.520 38.888 38.460 -0.154 0.000 1.291 164 Y HN 0.172 nan 8.280 nan 0.000 0.562 165 Q N 1.403 121.165 119.800 -0.064 0.000 2.414 165 Q HA 0.467 4.821 4.340 0.023 0.000 0.206 165 Q C -0.379 175.342 176.000 -0.464 0.000 1.058 165 Q CA -0.245 55.403 55.803 -0.257 0.000 1.025 165 Q CB 1.554 30.088 28.738 -0.341 0.000 1.196 165 Q HN 0.788 nan 8.270 nan 0.000 0.586 166 S N -1.176 114.133 115.700 -0.652 0.000 2.587 166 S HA 0.430 4.913 4.470 0.023 0.000 0.269 166 S C -1.274 173.040 174.600 -0.477 0.000 1.154 166 S CA -0.913 56.882 58.200 -0.675 0.000 0.824 166 S CB 1.227 64.287 63.200 -0.234 0.000 1.118 166 S HN 0.525 nan 8.310 nan 0.000 0.462 167 Q N 0.401 120.093 119.800 -0.182 0.000 3.316 167 Q HA 0.291 4.645 4.340 0.023 0.000 0.295 167 Q C -2.371 173.648 176.000 0.030 0.000 0.805 167 Q CA -1.713 54.073 55.803 -0.028 0.000 0.914 167 Q CB 1.264 30.040 28.738 0.064 0.000 1.514 167 Q HN 0.515 nan 8.270 nan 0.000 0.387 168 P HA -0.211 nan 4.420 nan 0.000 0.217 168 P C 0.043 177.351 177.300 0.012 0.000 1.148 168 P CA 1.612 64.715 63.100 0.005 0.000 0.828 168 P CB 0.135 31.827 31.700 -0.013 0.000 0.783 169 D N -2.409 117.997 120.400 0.010 0.000 2.462 169 D HA 0.064 4.717 4.640 0.023 0.000 0.221 169 D C 0.166 176.483 176.300 0.028 0.000 1.173 169 D CA -0.468 53.541 54.000 0.015 0.000 0.831 169 D CB -0.498 40.306 40.800 0.007 0.000 1.001 169 D HN 0.025 nan 8.370 nan 0.000 0.499 170 D N 0.968 121.397 120.400 0.048 0.000 2.389 170 D HA -0.029 4.625 4.640 0.023 0.000 0.247 170 D C 1.372 177.708 176.300 0.060 0.000 1.128 170 D CA 0.115 54.161 54.000 0.077 0.000 0.884 170 D CB 1.431 42.319 40.800 0.146 0.000 1.194 170 D HN 0.155 nan 8.370 nan 0.000 0.441 171 S N 2.148 117.879 115.700 0.051 0.000 2.419 171 S HA -0.135 4.349 4.470 0.023 0.000 0.233 171 S C 1.422 176.022 174.600 0.001 0.000 1.016 171 S CA -0.139 58.075 58.200 0.022 0.000 0.974 171 S CB -0.311 62.898 63.200 0.015 0.000 0.786 171 S HN 0.540 nan 8.310 nan 0.000 0.492 172 C N 3.298 122.598 119.300 0.000 0.000 2.442 172 C HA 0.342 4.815 4.460 0.023 0.000 0.362 172 C C 1.339 176.296 174.990 -0.055 0.000 1.242 172 C CA -0.777 58.180 59.018 -0.102 0.000 1.741 172 C CB -0.968 26.572 27.740 -0.334 0.000 2.378 172 C HN 0.410 nan 8.230 nan 0.000 0.549 173 D N 3.119 123.501 120.400 -0.030 0.000 2.149 173 D HA -0.179 4.475 4.640 0.023 0.000 0.194 173 D C 1.658 177.981 176.300 0.039 0.000 1.001 173 D CA 1.676 55.688 54.000 0.019 0.000 0.849 173 D CB -0.324 40.504 40.800 0.046 0.000 0.939 173 D HN 0.933 nan 8.370 nan 0.000 0.449 174 W N 0.710 121.924 121.300 -0.143 0.000 2.333 174 W HA -0.300 4.374 4.660 0.023 0.000 0.316 174 W C 1.682 178.180 176.519 -0.035 0.000 1.215 174 W CA 0.981 58.249 57.345 -0.127 0.000 1.278 174 W CB -0.531 28.815 29.460 -0.190 0.000 1.154 174 W HN 0.006 nan 8.180 nan 0.000 0.486 175 Y N 0.903 121.037 120.300 -0.277 0.000 2.207 175 Y HA -0.222 4.342 4.550 0.023 0.000 0.287 175 Y C 2.830 178.561 175.900 -0.281 0.000 1.156 175 Y CA 1.884 59.780 58.100 -0.339 0.000 1.182 175 Y CB -1.477 36.934 38.460 -0.081 0.000 0.979 175 Y HN 0.107 nan 8.280 nan 0.000 0.521 176 R N 0.166 120.669 120.500 0.005 0.000 2.055 176 R HA -0.082 4.271 4.340 0.023 0.000 0.228 176 R C 2.176 178.445 176.300 -0.053 0.000 1.143 176 R CA 1.132 57.252 56.100 0.033 0.000 0.945 176 R CB -0.497 29.824 30.300 0.034 0.000 0.841 176 R HN 0.291 nan 8.270 nan 0.000 0.429 177 L N 1.409 122.547 121.223 -0.140 0.000 2.141 177 L HA -0.127 4.227 4.340 0.023 0.000 0.209 177 L C 2.542 179.229 176.870 -0.305 0.000 1.094 177 L CA 1.347 56.098 54.840 -0.148 0.000 0.763 177 L CB -0.436 41.590 42.059 -0.055 0.000 0.908 177 L HN 0.321 nan 8.230 nan 0.000 0.437 178 R N -0.812 119.249 120.500 -0.732 0.000 2.303 178 R HA -0.157 4.197 4.340 0.023 0.000 0.225 178 R C 1.229 177.277 176.300 -0.419 0.000 1.114 178 R CA 1.237 56.818 56.100 -0.865 0.000 1.007 178 R CB -0.562 28.748 30.300 -1.650 0.000 0.861 178 R HN 0.500 nan 8.270 nan 0.000 0.471 179 H N 0.006 118.994 119.070 -0.136 0.000 2.652 179 H HA 0.271 4.841 4.556 0.023 0.000 0.274 179 H C -0.207 175.070 175.328 -0.085 0.000 1.021 179 H CA -0.157 55.839 56.048 -0.087 0.000 1.187 179 H CB 0.520 30.231 29.762 -0.084 0.000 1.505 179 H HN 0.219 nan 8.280 nan 0.000 0.530 180 E N 1.437 121.652 120.200 0.024 0.000 2.212 180 E HA 0.124 4.488 4.350 0.023 0.000 0.270 180 E C 0.124 176.727 176.600 0.006 0.000 0.956 180 E CA -0.633 55.771 56.400 0.008 0.000 0.825 180 E CB 1.966 31.674 29.700 0.013 0.000 1.167 180 E HN 0.253 nan 8.360 nan 0.000 0.400 181 E N 0.866 121.063 120.200 -0.005 0.000 2.608 181 E HA 0.114 4.477 4.350 0.023 0.000 0.259 181 E C -1.114 175.520 176.600 0.057 0.000 0.951 181 E CA 0.162 56.568 56.400 0.010 0.000 0.945 181 E CB 0.318 30.017 29.700 -0.001 0.000 0.916 181 E HN 0.482 nan 8.360 nan 0.000 0.477 182 A N 6.546 129.427 122.820 0.102 0.000 2.768 182 A HA 0.301 4.635 4.320 0.023 0.000 0.299 182 A C -0.308 177.442 177.584 0.277 0.000 1.171 182 A CA -0.631 51.505 52.037 0.164 0.000 0.759 182 A CB 0.757 19.859 19.000 0.171 0.000 1.267 182 A HN 0.617 nan 8.150 nan 0.000 0.421 183 M N 1.486 121.219 119.600 0.221 0.000 2.502 183 M HA 0.168 4.662 4.480 0.023 0.000 0.351 183 M C 0.386 176.788 176.300 0.171 0.000 1.118 183 M CA 0.449 55.873 55.300 0.206 0.000 0.952 183 M CB -0.155 32.462 32.600 0.029 0.000 1.424 183 M HN 0.805 nan 8.290 nan 0.000 0.529 184 T N -3.559 111.141 114.554 0.244 0.000 2.883 184 T HA 0.558 4.922 4.350 0.023 0.000 0.296 184 T C -2.552 172.288 174.700 0.233 0.000 1.117 184 T CA -1.420 60.797 62.100 0.194 0.000 1.006 184 T CB 2.741 71.675 68.868 0.109 0.000 1.191 184 T HN -0.271 nan 8.240 nan 0.000 0.508 185 P HA -0.040 nan 4.420 nan 0.000 0.215 185 P C 0.969 178.325 177.300 0.094 0.000 1.153 185 P CA 1.068 64.254 63.100 0.143 0.000 0.853 185 P CB -0.028 31.740 31.700 0.113 0.000 0.788 186 D N -0.628 119.820 120.400 0.080 0.000 2.106 186 D HA -0.162 4.492 4.640 0.023 0.000 0.191 186 D C 2.041 178.381 176.300 0.067 0.000 0.997 186 D CA 1.808 55.843 54.000 0.057 0.000 0.834 186 D CB -0.907 39.921 40.800 0.047 0.000 0.956 186 D HN 0.025 nan 8.370 nan 0.000 0.448 187 A N 0.400 123.274 122.820 0.090 0.000 1.908 187 A HA -0.156 4.177 4.320 0.023 0.000 0.218 187 A C 2.553 180.198 177.584 0.102 0.000 1.181 187 A CA 1.470 53.566 52.037 0.099 0.000 0.627 187 A CB -0.813 18.261 19.000 0.122 0.000 0.818 187 A HN 0.163 nan 8.150 nan 0.000 0.445 188 V N -0.354 119.618 119.914 0.097 0.000 2.407 188 V HA -0.236 3.898 4.120 0.023 0.000 0.248 188 V C 2.564 178.678 176.094 0.033 0.000 1.055 188 V CA 1.972 64.295 62.300 0.038 0.000 1.049 188 V CB -0.731 31.061 31.823 -0.051 0.000 0.662 188 V HN 0.383 nan 8.190 nan 0.000 0.455 189 V N 0.718 120.654 119.914 0.038 0.000 2.343 189 V HA -0.274 3.860 4.120 0.023 0.000 0.247 189 V C 2.628 178.763 176.094 0.067 0.000 1.051 189 V CA 2.439 64.760 62.300 0.035 0.000 1.036 189 V CB -0.869 30.964 31.823 0.016 0.000 0.654 189 V HN 0.650 nan 8.190 nan 0.000 0.451 190 R N 0.142 120.686 120.500 0.074 0.000 2.096 190 R HA -0.137 4.217 4.340 0.023 0.000 0.235 190 R C 2.229 178.617 176.300 0.147 0.000 1.127 190 R CA 1.663 57.819 56.100 0.094 0.000 0.968 190 R CB -0.404 29.940 30.300 0.073 0.000 0.861 190 R HN 0.442 nan 8.270 nan 0.000 0.440 191 L N 0.723 122.044 121.223 0.164 0.000 1.994 191 L HA -0.124 4.229 4.340 0.023 0.000 0.208 191 L C 2.855 179.872 176.870 0.246 0.000 1.071 191 L CA 1.474 56.477 54.840 0.271 0.000 0.745 191 L CB -0.658 41.569 42.059 0.280 0.000 0.892 191 L HN 0.420 nan 8.230 nan 0.000 0.431 192 A N -0.217 122.659 122.820 0.094 0.000 1.908 192 A HA -0.264 4.070 4.320 0.023 0.000 0.218 192 A C 2.083 179.775 177.584 0.180 0.000 1.181 192 A CA 1.933 53.925 52.037 -0.075 0.000 0.627 192 A CB -0.543 18.164 19.000 -0.489 0.000 0.818 192 A HN 0.493 nan 8.150 nan 0.000 0.445 193 E N -0.392 119.978 120.200 0.283 0.000 2.058 193 E HA -0.157 4.207 4.350 0.023 0.000 0.194 193 E C 2.372 179.161 176.600 0.315 0.000 0.997 193 E CA 1.061 57.680 56.400 0.364 0.000 0.801 193 E CB -0.330 29.488 29.700 0.198 0.000 0.746 193 E HN 0.630 nan 8.360 nan 0.000 0.450 194 A N 1.482 124.458 122.820 0.261 0.000 1.902 194 A HA -0.148 4.186 4.320 0.023 0.000 0.217 194 A C 2.397 180.094 177.584 0.188 0.000 1.181 194 A CA 1.806 53.996 52.037 0.255 0.000 0.623 194 A CB -0.676 18.536 19.000 0.352 0.000 0.818 194 A HN 0.304 nan 8.150 nan 0.000 0.443 195 A N -1.451 121.449 122.820 0.133 0.000 1.902 195 A HA -0.108 4.226 4.320 0.023 0.000 0.217 195 A C 2.148 179.831 177.584 0.164 0.000 1.181 195 A CA 1.716 53.678 52.037 -0.125 0.000 0.623 195 A CB -0.838 18.028 19.000 -0.223 0.000 0.818 195 A HN 0.762 nan 8.150 nan 0.000 0.443 196 Y N 0.861 121.292 120.300 0.218 0.000 2.145 196 Y HA -0.235 4.329 4.550 0.023 0.000 0.286 196 Y C 2.318 178.238 175.900 0.033 0.000 1.145 196 Y CA 2.230 60.457 58.100 0.212 0.000 1.148 196 Y CB -0.489 38.207 38.460 0.394 0.000 0.981 196 Y HN 0.554 nan 8.280 nan 0.000 0.507 197 E N -0.010 120.152 120.200 -0.064 0.000 2.118 197 E HA -0.302 4.061 4.350 0.023 0.000 0.195 197 E C 2.085 178.475 176.600 -0.351 0.000 0.992 197 E CA 1.699 57.953 56.400 -0.243 0.000 0.804 197 E CB -0.176 29.484 29.700 -0.068 0.000 0.741 197 E HN 0.406 nan 8.360 nan 0.000 0.458 198 K N -0.645 119.516 120.400 -0.397 0.000 2.098 198 K HA -0.066 4.268 4.320 0.023 0.000 0.203 198 K C 1.253 177.353 176.600 -0.833 0.000 1.051 198 K CA 1.364 57.242 56.287 -0.682 0.000 0.957 198 K CB -0.100 31.834 32.500 -0.944 0.000 0.738 198 K HN 0.240 nan 8.250 nan 0.000 0.447 199 Y N -1.637 118.365 120.300 -0.495 0.000 2.498 199 Y HA 0.311 4.875 4.550 0.023 0.000 0.259 199 Y C 1.222 176.683 175.900 -0.732 0.000 1.086 199 Y CA 0.051 57.748 58.100 -0.672 0.000 1.287 199 Y CB 1.176 39.013 38.460 -1.037 0.000 1.146 199 Y HN 0.214 nan 8.280 nan 0.000 0.523 200 G N 0.185 108.671 108.800 -0.525 0.000 2.132 200 G HA2 -0.273 3.700 3.960 0.023 0.000 0.234 200 G HA3 -0.273 3.700 3.960 0.023 0.000 0.234 200 G C -0.202 174.613 174.900 -0.141 0.000 0.989 200 G CA -0.541 44.329 45.100 -0.382 0.000 0.676 200 G HN 0.117 nan 8.290 nan 0.000 0.522 201 F N 0.927 120.902 119.950 0.042 0.000 2.629 201 F HA 0.215 4.756 4.527 0.023 0.000 0.377 201 F C 1.606 177.322 175.800 -0.140 0.000 1.101 201 F CA 0.406 58.291 58.000 -0.192 0.000 1.301 201 F CB 0.390 38.977 39.000 -0.689 0.000 1.062 201 F HN 0.014 nan 8.300 nan 0.000 0.583 202 N N 0.839 119.535 118.700 -0.007 0.000 2.439 202 N HA -0.013 4.740 4.740 0.023 0.000 0.176 202 N C -0.416 174.979 175.510 -0.193 0.000 1.029 202 N CA 0.549 53.584 53.050 -0.024 0.000 0.886 202 N CB 0.182 38.683 38.487 0.024 0.000 1.057 202 N HN 0.516 nan 8.380 nan 0.000 0.437 203 D N -0.030 120.153 120.400 -0.361 0.000 2.252 203 D HA 0.407 5.061 4.640 0.023 0.000 0.245 203 D C -0.647 175.157 176.300 -0.826 0.000 1.009 203 D CA -0.178 53.587 54.000 -0.391 0.000 0.870 203 D CB 1.469 42.163 40.800 -0.177 0.000 1.251 203 D HN -0.135 nan 8.370 nan 0.000 0.460 204 F N 0.285 120.075 119.950 -0.267 0.000 2.603 204 F HA 0.429 4.969 4.527 0.022 0.000 0.317 204 F C 0.314 175.919 175.800 -0.326 0.000 1.066 204 F CA -0.960 56.834 58.000 -0.342 0.000 0.941 204 F CB 2.310 41.104 39.000 -0.343 0.000 1.291 204 F HN -0.036 nan 8.300 nan 0.000 0.472 205 K N 2.022 122.335 120.400 -0.146 0.000 2.443 205 K HA 0.688 5.021 4.320 0.023 0.000 0.252 205 K C -2.215 174.264 176.600 -0.201 0.000 0.933 205 K CA -0.803 55.313 56.287 -0.284 0.000 0.792 205 K CB 2.081 34.239 32.500 -0.570 0.000 1.185 205 K HN 0.598 nan 8.250 nan 0.000 0.425 206 L N 3.899 124.999 121.223 -0.204 0.000 2.305 206 L HA 0.451 4.804 4.340 0.023 0.000 0.284 206 L C -0.901 175.834 176.870 -0.226 0.000 1.013 206 L CA -0.353 54.366 54.840 -0.202 0.000 0.819 206 L CB 1.256 43.202 42.059 -0.188 0.000 1.227 206 L HN 0.605 nan 8.230 nan 0.000 0.417 207 K N 3.686 123.885 120.400 -0.335 0.000 2.349 207 K HA 0.610 4.944 4.320 0.023 0.000 0.288 207 K C 0.170 176.733 176.600 -0.062 0.000 1.058 207 K CA 0.283 56.382 56.287 -0.315 0.000 0.953 207 K CB 0.625 32.626 32.500 -0.832 0.000 0.997 207 K HN 0.814 nan 8.250 nan 0.000 0.477 208 G N 1.654 110.475 108.800 0.034 0.000 2.857 208 G HA2 0.483 4.457 3.960 0.023 0.000 0.217 208 G HA3 0.483 4.457 3.960 0.023 0.000 0.217 208 G C 0.334 175.324 174.900 0.151 0.000 1.357 208 G CA -0.626 44.590 45.100 0.194 0.000 1.033 208 G HN 1.085 nan 8.290 nan 0.000 0.571 209 G N -2.479 106.416 108.800 0.157 0.000 2.147 209 G HA2 -0.167 3.807 3.960 0.023 0.000 0.244 209 G HA3 -0.167 3.807 3.960 0.023 0.000 0.244 209 G C 0.665 175.670 174.900 0.176 0.000 1.005 209 G CA 0.754 45.932 45.100 0.131 0.000 0.713 209 G HN 1.069 nan 8.290 nan 0.000 0.515 210 V N -0.594 119.421 119.914 0.167 0.000 2.721 210 V HA 0.430 4.564 4.120 0.023 0.000 0.236 210 V C 1.672 177.769 176.094 0.006 0.000 1.116 210 V CA 1.541 63.891 62.300 0.083 0.000 1.148 210 V CB -0.084 31.776 31.823 0.062 0.000 0.886 210 V HN 0.347 nan 8.190 nan 0.000 0.490 211 L N -0.515 120.675 121.223 -0.055 0.000 2.421 211 L HA 0.774 5.128 4.340 0.023 0.000 0.267 211 L C 0.355 177.259 176.870 0.057 0.000 1.036 211 L CA -0.830 53.971 54.840 -0.064 0.000 0.829 211 L CB 0.715 42.645 42.059 -0.215 0.000 1.437 211 L HN 0.146 nan 8.230 nan 0.000 0.488 212 A N 0.023 122.861 122.820 0.030 0.000 2.520 212 A HA 0.332 4.665 4.320 0.023 0.000 0.245 212 A C 1.273 178.883 177.584 0.045 0.000 1.072 212 A CA 0.382 52.443 52.037 0.041 0.000 0.761 212 A CB 0.086 19.076 19.000 -0.017 0.000 1.004 212 A HN 0.928 nan 8.150 nan 0.000 0.499 213 G N 1.938 110.748 108.800 0.016 0.000 2.556 213 G HA2 -0.373 3.601 3.960 0.023 0.000 0.220 213 G HA3 -0.373 3.601 3.960 0.023 0.000 0.220 213 G C 1.206 176.001 174.900 -0.175 0.000 1.156 213 G CA 1.414 46.422 45.100 -0.153 0.000 0.766 213 G HN 1.011 nan 8.290 nan 0.000 0.583 214 E N 0.233 120.302 120.200 -0.219 0.000 2.118 214 E HA -0.140 4.224 4.350 0.023 0.000 0.195 214 E C 2.139 178.694 176.600 -0.074 0.000 0.992 214 E CA 1.471 57.761 56.400 -0.184 0.000 0.804 214 E CB -0.343 29.225 29.700 -0.219 0.000 0.741 214 E HN 0.635 nan 8.360 nan 0.000 0.458 215 E N 1.109 121.289 120.200 -0.034 0.000 2.046 215 E HA -0.182 4.182 4.350 0.023 0.000 0.190 215 E C 1.990 178.643 176.600 0.090 0.000 0.982 215 E CA 1.177 57.584 56.400 0.011 0.000 0.800 215 E CB 0.079 29.768 29.700 -0.018 0.000 0.756 215 E HN 0.382 nan 8.360 nan 0.000 0.449 216 E N 0.316 120.602 120.200 0.143 0.000 2.160 216 E HA -0.230 4.134 4.350 0.023 0.000 0.195 216 E C 2.022 178.778 176.600 0.260 0.000 0.991 216 E CA 0.773 57.355 56.400 0.303 0.000 0.810 216 E CB -0.173 29.770 29.700 0.405 0.000 0.742 216 E HN 0.331 nan 8.360 nan 0.000 0.466 217 A N 1.813 124.749 122.820 0.193 0.000 1.940 217 A HA -0.225 4.108 4.320 0.023 0.000 0.219 217 A C 1.963 179.674 177.584 0.212 0.000 1.176 217 A CA 1.277 53.440 52.037 0.211 0.000 0.631 217 A CB -0.259 18.875 19.000 0.223 0.000 0.814 217 A HN 0.056 nan 8.150 nan 0.000 0.446 218 E N 0.455 120.768 120.200 0.188 0.000 2.160 218 E HA -0.120 4.244 4.350 0.023 0.000 0.195 218 E C 2.223 178.903 176.600 0.132 0.000 0.991 218 E CA 1.381 57.876 56.400 0.159 0.000 0.810 218 E CB -0.587 29.187 29.700 0.122 0.000 0.742 218 E HN 0.584 nan 8.360 nan 0.000 0.466 219 S N 0.560 116.358 115.700 0.163 0.000 2.406 219 S HA -0.045 4.439 4.470 0.023 0.000 0.228 219 S C 1.920 176.561 174.600 0.067 0.000 1.020 219 S CA 0.378 58.653 58.200 0.126 0.000 0.965 219 S CB 0.025 63.319 63.200 0.158 0.000 0.798 219 S HN 0.165 nan 8.310 nan 0.000 0.488 220 I N 1.343 121.962 120.570 0.082 0.000 2.163 220 I HA -0.097 4.087 4.170 0.023 0.000 0.240 220 I C 2.328 178.456 176.117 0.018 0.000 1.081 220 I CA 1.019 62.344 61.300 0.041 0.000 1.353 220 I CB -1.553 36.483 38.000 0.060 0.000 1.054 220 I HN 0.142 nan 8.210 nan 0.000 0.407 221 V N 1.605 121.534 119.914 0.025 0.000 2.252 221 V HA -0.321 3.812 4.120 0.023 0.000 0.249 221 V C 2.876 178.969 176.094 -0.001 0.000 1.056 221 V CA 2.164 64.458 62.300 -0.011 0.000 1.022 221 V CB -1.185 30.640 31.823 0.002 0.000 0.641 221 V HN 0.489 nan 8.190 nan 0.000 0.445 222 A N -0.757 122.075 122.820 0.019 0.000 1.902 222 A HA -0.174 4.159 4.320 0.023 0.000 0.217 222 A C 2.236 179.819 177.584 -0.002 0.000 1.181 222 A CA 1.911 53.953 52.037 0.008 0.000 0.623 222 A CB -0.554 18.461 19.000 0.025 0.000 0.818 222 A HN 0.500 nan 8.150 nan 0.000 0.443 223 L N -0.993 120.236 121.223 0.009 0.000 2.141 223 L HA -0.162 4.192 4.340 0.023 0.000 0.209 223 L C 3.054 179.967 176.870 0.072 0.000 1.094 223 L CA 0.887 55.745 54.840 0.030 0.000 0.763 223 L CB -0.404 41.636 42.059 -0.033 0.000 0.908 223 L HN 0.466 nan 8.230 nan 0.000 0.437 224 A N -0.605 122.232 122.820 0.028 0.000 1.930 224 A HA -0.229 4.105 4.320 0.023 0.000 0.217 224 A C 2.165 179.758 177.584 0.015 0.000 1.175 224 A CA 1.304 53.360 52.037 0.032 0.000 0.627 224 A CB -0.338 18.660 19.000 -0.004 0.000 0.815 224 A HN 0.461 nan 8.150 nan 0.000 0.443 225 Q N -1.047 118.742 119.800 -0.019 0.000 2.020 225 Q HA -0.231 4.123 4.340 0.023 0.000 0.202 225 Q C 2.379 178.319 176.000 -0.100 0.000 0.982 225 Q CA 1.770 57.543 55.803 -0.050 0.000 0.838 225 Q CB -0.249 28.459 28.738 -0.051 0.000 0.899 225 Q HN 0.567 nan 8.270 nan 0.000 0.423 226 R N 0.354 120.763 120.500 -0.151 0.000 2.096 226 R HA -0.096 4.258 4.340 0.023 0.000 0.235 226 R C -0.147 175.820 176.300 -0.555 0.000 1.127 226 R CA 1.293 57.159 56.100 -0.389 0.000 0.968 226 R CB 0.035 30.039 30.300 -0.494 0.000 0.861 226 R HN 0.114 nan 8.270 nan 0.000 0.440 227 F N 0.709 120.592 119.950 -0.112 0.000 2.550 227 F HA 0.376 4.917 4.527 0.023 0.000 0.348 227 F C -1.640 174.134 175.800 -0.044 0.000 1.219 227 F CA -2.350 55.597 58.000 -0.089 0.000 1.203 227 F CB 1.980 40.935 39.000 -0.075 0.000 1.436 227 F HN 0.007 nan 8.300 nan 0.000 0.541 228 P HA -0.175 nan 4.420 nan 0.000 0.222 228 P C 1.058 178.395 177.300 0.062 0.000 1.147 228 P CA 1.303 64.430 63.100 0.045 0.000 0.790 228 P CB 0.476 32.179 31.700 0.005 0.000 0.780 229 Q N -0.801 119.051 119.800 0.087 0.000 2.319 229 Q HA 0.322 4.676 4.340 0.023 0.000 0.202 229 Q C 0.792 176.844 176.000 0.086 0.000 0.896 229 Q CA -0.227 55.620 55.803 0.074 0.000 0.942 229 Q CB -0.489 28.290 28.738 0.069 0.000 1.083 229 Q HN 0.170 nan 8.270 nan 0.000 0.510 230 A N 0.770 123.666 122.820 0.126 0.000 2.462 230 A HA 0.262 4.596 4.320 0.023 0.000 0.243 230 A C -0.179 177.444 177.584 0.065 0.000 1.076 230 A CA -0.134 51.973 52.037 0.117 0.000 0.773 230 A CB 0.225 19.353 19.000 0.214 0.000 1.010 230 A HN 0.188 nan 8.150 nan 0.000 0.493 231 R N 1.117 121.635 120.500 0.030 0.000 2.234 231 R HA 0.516 4.870 4.340 0.023 0.000 0.324 231 R C -1.010 175.265 176.300 -0.042 0.000 1.054 231 R CA 0.127 56.234 56.100 0.011 0.000 0.912 231 R CB 0.479 30.803 30.300 0.040 0.000 1.030 231 R HN 0.693 nan 8.270 nan 0.000 0.455 232 I N 0.938 121.448 120.570 -0.099 0.000 2.689 232 I HA 0.372 4.555 4.170 0.023 0.000 0.299 232 I C 0.117 176.016 176.117 -0.363 0.000 1.059 232 I CA -0.583 60.618 61.300 -0.165 0.000 1.055 232 I CB 2.468 40.427 38.000 -0.069 0.000 1.243 232 I HN 0.436 nan 8.210 nan 0.000 0.425 233 T N 4.539 118.850 114.554 -0.405 0.000 2.883 233 T HA 0.756 5.119 4.350 0.023 0.000 0.296 233 T C -1.861 172.692 174.700 -0.245 0.000 1.117 233 T CA -0.457 61.355 62.100 -0.480 0.000 1.006 233 T CB 1.657 69.972 68.868 -0.920 0.000 1.191 233 T HN 0.397 nan 8.240 nan 0.000 0.508 234 L N 2.924 124.049 121.223 -0.163 0.000 2.409 234 L HA 0.719 5.073 4.340 0.023 0.000 0.272 234 L C -1.657 175.147 176.870 -0.109 0.000 0.980 234 L CA -0.403 54.397 54.840 -0.067 0.000 0.826 234 L CB 2.029 44.143 42.059 0.092 0.000 1.268 234 L HN 0.586 nan 8.230 nan 0.000 0.407 235 D N 6.438 126.756 120.400 -0.137 0.000 2.446 235 D HA 0.483 5.137 4.640 0.023 0.000 0.251 235 D C -2.261 173.920 176.300 -0.199 0.000 1.137 235 D CA -1.922 51.976 54.000 -0.170 0.000 0.890 235 D CB 1.905 42.636 40.800 -0.114 0.000 1.071 235 D HN 0.365 nan 8.370 nan 0.000 0.528 236 P HA 0.160 nan 4.420 nan 0.000 0.261 236 P C -0.624 176.479 177.300 -0.327 0.000 1.352 236 P CA -0.099 62.719 63.100 -0.470 0.000 0.891 236 P CB -0.244 30.675 31.700 -1.302 0.000 1.383 237 N N 0.126 118.696 118.700 -0.217 0.000 2.727 237 N HA -0.186 4.568 4.740 0.023 0.000 0.249 237 N C 0.936 176.371 175.510 -0.126 0.000 1.048 237 N CA 0.915 53.906 53.050 -0.098 0.000 0.714 237 N CB -1.784 36.724 38.487 0.036 0.000 0.959 237 N HN 0.347 nan 8.380 nan 0.000 0.544 238 G N -1.719 106.934 108.800 -0.246 0.000 2.166 238 G HA2 -0.302 3.672 3.960 0.023 0.000 0.260 238 G HA3 -0.302 3.672 3.960 0.023 0.000 0.260 238 G C 1.160 175.970 174.900 -0.151 0.000 0.986 238 G CA 0.789 45.769 45.100 -0.199 0.000 0.683 238 G HN 0.960 nan 8.290 nan 0.000 0.527 239 A N -0.808 121.889 122.820 -0.205 0.000 1.972 239 A HA 0.232 4.565 4.320 0.023 0.000 0.219 239 A C 1.346 178.983 177.584 0.088 0.000 1.169 239 A CA 1.256 53.252 52.037 -0.068 0.000 0.635 239 A CB -0.275 18.701 19.000 -0.041 0.000 0.810 239 A HN 0.629 nan 8.150 nan 0.000 0.446 240 W N 0.916 122.222 121.300 0.009 0.000 2.126 240 W HA 0.434 5.107 4.660 0.021 0.000 0.346 240 W C 0.980 177.507 176.519 0.014 0.000 1.279 240 W CA -0.725 56.628 57.345 0.013 0.000 1.259 240 W CB -0.249 29.223 29.460 0.021 0.000 1.133 240 W HN 0.325 nan 8.180 nan 0.000 0.592 241 S N 1.073 116.932 115.700 0.265 0.000 2.614 241 S HA 0.135 4.618 4.470 0.023 0.000 0.265 241 S C 0.869 175.582 174.600 0.187 0.000 1.303 241 S CA -0.614 57.686 58.200 0.166 0.000 1.000 241 S CB 0.995 64.261 63.200 0.110 0.000 0.935 241 S HN 0.446 nan 8.310 nan 0.000 0.551 242 L N 1.979 123.291 121.223 0.149 0.000 2.042 242 L HA -0.122 4.232 4.340 0.023 0.000 0.210 242 L C 1.870 178.839 176.870 0.164 0.000 1.076 242 L CA 2.005 56.946 54.840 0.168 0.000 0.749 242 L CB -1.436 40.692 42.059 0.115 0.000 0.893 242 L HN 0.860 nan 8.230 nan 0.000 0.432 243 N N -0.904 117.859 118.700 0.105 0.000 2.142 243 N HA -0.181 4.573 4.740 0.023 0.000 0.186 243 N C 1.682 177.229 175.510 0.062 0.000 1.023 243 N CA 1.241 54.333 53.050 0.071 0.000 0.852 243 N CB -0.093 38.416 38.487 0.037 0.000 0.998 243 N HN 0.498 nan 8.380 nan 0.000 0.424 244 E N 0.818 121.055 120.200 0.061 0.000 2.051 244 E HA -0.171 4.193 4.350 0.023 0.000 0.192 244 E C 2.100 178.688 176.600 -0.020 0.000 0.991 244 E CA 1.059 57.446 56.400 -0.022 0.000 0.799 244 E CB -0.067 29.605 29.700 -0.047 0.000 0.748 244 E HN 0.370 nan 8.360 nan 0.000 0.449 245 A N 1.004 123.942 122.820 0.197 0.000 1.908 245 A HA -0.212 4.122 4.320 0.023 0.000 0.218 245 A C 2.169 180.011 177.584 0.430 0.000 1.181 245 A CA 1.284 53.578 52.037 0.429 0.000 0.627 245 A CB -0.652 18.676 19.000 0.548 0.000 0.818 245 A HN 0.183 nan 8.150 nan 0.000 0.445 246 I N -0.636 120.118 120.570 0.306 0.000 2.226 246 I HA -0.274 3.910 4.170 0.023 0.000 0.245 246 I C 2.560 178.717 176.117 0.066 0.000 1.100 246 I CA 1.896 63.279 61.300 0.139 0.000 1.374 246 I CB -0.273 37.757 38.000 0.051 0.000 1.057 246 I HN 0.428 nan 8.210 nan 0.000 0.413 247 K N 1.655 122.074 120.400 0.032 0.000 2.009 247 K HA -0.204 4.129 4.320 0.023 0.000 0.210 247 K C 2.148 178.752 176.600 0.006 0.000 1.049 247 K CA 1.725 58.006 56.287 -0.011 0.000 0.929 247 K CB -0.148 32.315 32.500 -0.063 0.000 0.714 247 K HN 0.217 nan 8.250 nan 0.000 0.440 248 I N 0.688 121.232 120.570 -0.044 0.000 2.163 248 I HA -0.212 3.972 4.170 0.023 0.000 0.243 248 I C 2.499 178.704 176.117 0.147 0.000 1.085 248 I CA 1.498 62.776 61.300 -0.037 0.000 1.347 248 I CB -0.691 37.097 38.000 -0.355 0.000 1.044 248 I HN 0.471 nan 8.210 nan 0.000 0.408 249 G N 0.710 109.643 108.800 0.223 0.000 2.418 249 G HA2 -0.234 3.739 3.960 0.023 0.000 0.217 249 G HA3 -0.234 3.739 3.960 0.023 0.000 0.217 249 G C 1.744 176.712 174.900 0.113 0.000 1.158 249 G CA 0.561 45.812 45.100 0.252 0.000 0.771 249 G HN 0.315 nan 8.290 nan 0.000 0.545 250 K N -0.785 119.656 120.400 0.069 0.000 2.057 250 K HA -0.104 4.230 4.320 0.023 0.000 0.207 250 K C 2.165 178.820 176.600 0.093 0.000 1.049 250 K CA 1.242 57.555 56.287 0.043 0.000 0.931 250 K CB -0.338 32.176 32.500 0.024 0.000 0.714 250 K HN 0.476 nan 8.250 nan 0.000 0.440 251 Y N 1.127 121.420 120.300 -0.010 0.000 2.224 251 Y HA -0.128 4.435 4.550 0.022 0.000 0.289 251 Y C 1.379 177.281 175.900 0.003 0.000 1.146 251 Y CA 1.239 59.333 58.100 -0.011 0.000 1.182 251 Y CB 0.153 38.597 38.460 -0.027 0.000 0.983 251 Y HN -0.070 nan 8.280 nan 0.000 0.524 252 L N 0.721 121.934 121.223 -0.016 0.000 2.685 252 L HA 0.086 4.440 4.340 0.023 0.000 0.233 252 L C 1.881 178.723 176.870 -0.047 0.000 1.173 252 L CA -0.015 54.764 54.840 -0.102 0.000 0.961 252 L CB -0.159 41.919 42.059 0.031 0.000 1.217 252 L HN 0.064 nan 8.230 nan 0.000 0.478 253 K N 1.829 122.211 120.400 -0.030 0.000 2.077 253 K HA -0.193 4.141 4.320 0.023 0.000 0.213 253 K C 1.812 178.400 176.600 -0.021 0.000 1.051 253 K CA 1.978 58.258 56.287 -0.011 0.000 0.929 253 K CB -0.502 31.990 32.500 -0.014 0.000 0.715 253 K HN 0.281 nan 8.250 nan 0.000 0.451 254 G N -1.646 107.124 108.800 -0.050 0.000 2.985 254 G HA2 -0.023 3.951 3.960 0.023 0.000 0.209 254 G HA3 -0.023 3.951 3.960 0.023 0.000 0.209 254 G C 1.074 175.950 174.900 -0.039 0.000 1.165 254 G CA 0.424 45.501 45.100 -0.040 0.000 0.776 254 G HN 0.314 nan 8.290 nan 0.000 0.541 255 S N -0.397 115.273 115.700 -0.050 0.000 2.502 255 S HA 0.295 4.779 4.470 0.023 0.000 0.228 255 S C 0.800 175.382 174.600 -0.029 0.000 1.061 255 S CA -0.274 57.900 58.200 -0.042 0.000 0.935 255 S CB 0.151 63.315 63.200 -0.061 0.000 0.809 255 S HN 0.160 nan 8.310 nan 0.000 0.510 256 L N 1.179 122.389 121.223 -0.021 0.000 2.350 256 L HA 0.445 4.799 4.340 0.023 0.000 0.275 256 L C 1.232 178.084 176.870 -0.030 0.000 1.099 256 L CA -0.516 54.297 54.840 -0.045 0.000 0.808 256 L CB 1.008 43.060 42.059 -0.012 0.000 1.149 256 L HN 0.158 nan 8.230 nan 0.000 0.442 257 A N 3.281 126.053 122.820 -0.081 0.000 1.975 257 A HA 0.078 4.412 4.320 0.023 0.000 0.215 257 A C 0.196 177.867 177.584 0.144 0.000 1.170 257 A CA 1.069 53.123 52.037 0.027 0.000 0.656 257 A CB -0.055 18.977 19.000 0.054 0.000 0.821 257 A HN 0.742 nan 8.150 nan 0.000 0.449 258 Y N -5.159 115.166 120.300 0.042 0.000 2.713 258 Y HA 0.659 5.223 4.550 0.024 0.000 0.335 258 Y C -0.720 175.223 175.900 0.072 0.000 1.222 258 Y CA -1.460 56.677 58.100 0.062 0.000 1.061 258 Y CB 0.636 39.116 38.460 0.034 0.000 1.314 258 Y HN 0.176 nan 8.280 nan 0.000 0.453 259 A N 1.423 124.430 122.820 0.311 0.000 2.291 259 A HA 0.517 4.851 4.320 0.023 0.000 0.311 259 A C -0.917 176.760 177.584 0.154 0.000 1.224 259 A CA -0.620 51.518 52.037 0.168 0.000 0.821 259 A CB 0.759 19.879 19.000 0.199 0.000 1.172 259 A HN 0.728 nan 8.150 nan 0.000 0.494 260 E N 3.052 123.306 120.200 0.090 0.000 2.194 260 E HA 0.201 4.565 4.350 0.023 0.000 0.284 260 E C -0.738 175.799 176.600 -0.104 0.000 1.035 260 E CA -0.471 55.962 56.400 0.055 0.000 0.836 260 E CB 0.302 30.058 29.700 0.093 0.000 1.070 260 E HN 0.656 nan 8.360 nan 0.000 0.401 261 D N 5.265 125.595 120.400 -0.118 0.000 2.755 261 D HA -0.156 4.498 4.640 0.023 0.000 0.227 261 D C -1.758 174.341 176.300 -0.334 0.000 1.211 261 D CA 0.227 54.117 54.000 -0.184 0.000 0.663 261 D CB -0.323 40.408 40.800 -0.115 0.000 0.983 261 D HN 0.507 nan 8.370 nan 0.000 0.407 262 P HA -0.079 nan 4.420 nan 0.000 0.219 262 P C 0.879 177.968 177.300 -0.352 0.000 1.150 262 P CA 1.006 63.788 63.100 -0.530 0.000 0.814 262 P CB 0.183 31.472 31.700 -0.685 0.000 0.787 263 C N -4.190 114.950 119.300 -0.267 0.000 3.332 263 C HA 0.938 5.412 4.460 0.023 0.000 0.329 263 C C 0.173 175.121 174.990 -0.071 0.000 1.434 263 C CA -0.304 58.661 59.018 -0.088 0.000 1.314 263 C CB 1.569 29.328 27.740 0.032 0.000 1.664 263 C HN 0.359 nan 8.230 nan 0.000 0.457 264 G N -0.548 108.248 108.800 -0.006 0.000 2.846 264 G HA2 0.832 4.806 3.960 0.023 0.000 0.299 264 G HA3 0.832 4.806 3.960 0.023 0.000 0.299 264 G C -0.445 174.484 174.900 0.049 0.000 1.242 264 G CA -0.117 44.989 45.100 0.010 0.000 0.800 264 G HN 1.970 nan 8.290 nan 0.000 0.538 265 A N -0.056 122.794 122.820 0.049 0.000 2.565 265 A HA 0.521 4.855 4.320 0.023 0.000 0.237 265 A C 0.398 178.029 177.584 0.078 0.000 1.053 265 A CA 1.359 53.439 52.037 0.071 0.000 0.755 265 A CB -0.485 18.541 19.000 0.044 0.000 0.980 265 A HN 1.238 nan 8.150 nan 0.000 0.506 266 E N 1.113 121.387 120.200 0.123 0.000 2.389 266 E HA 0.366 4.729 4.350 0.023 0.000 0.281 266 E C -0.586 176.131 176.600 0.195 0.000 1.072 266 E CA -0.717 55.756 56.400 0.122 0.000 0.845 266 E CB 0.226 29.992 29.700 0.109 0.000 1.239 266 E HN 0.620 nan 8.360 nan 0.000 0.434 267 Q N 0.282 120.158 119.800 0.127 0.000 2.480 267 Q HA -0.296 4.057 4.340 0.023 0.000 0.265 267 Q C 0.792 176.751 176.000 -0.069 0.000 1.072 267 Q CA 1.292 57.170 55.803 0.126 0.000 1.018 267 Q CB -1.864 27.062 28.738 0.314 0.000 1.433 267 Q HN 1.470 nan 8.270 nan 0.000 0.513 268 G N -1.374 107.352 108.800 -0.123 0.000 2.176 268 G HA2 -0.314 3.659 3.960 0.023 0.000 0.253 268 G HA3 -0.314 3.659 3.960 0.023 0.000 0.253 268 G C -0.148 174.494 174.900 -0.431 0.000 0.979 268 G CA 0.287 45.208 45.100 -0.299 0.000 0.641 268 G HN 0.295 nan 8.290 nan 0.000 0.530 269 F N 2.116 122.069 119.950 0.005 0.000 2.399 269 F HA 0.650 5.187 4.527 0.016 0.000 0.334 269 F C 1.170 176.973 175.800 0.005 0.000 1.097 269 F CA -0.307 57.697 58.000 0.008 0.000 1.076 269 F CB 1.626 40.638 39.000 0.021 0.000 1.162 269 F HN 0.242 nan 8.300 nan 0.000 0.495 270 S N 1.060 116.862 115.700 0.170 0.000 2.608 270 S HA 0.323 4.806 4.470 0.023 0.000 0.261 270 S C 1.373 176.040 174.600 0.112 0.000 1.314 270 S CA -0.280 57.977 58.200 0.095 0.000 0.992 270 S CB 1.123 64.352 63.200 0.049 0.000 0.935 270 S HN 0.874 nan 8.310 nan 0.000 0.564 271 G N 0.706 109.549 108.800 0.072 0.000 2.450 271 G HA2 -0.184 3.790 3.960 0.023 0.000 0.220 271 G HA3 -0.184 3.790 3.960 0.023 0.000 0.220 271 G C 1.554 176.496 174.900 0.070 0.000 1.130 271 G CA 0.499 45.635 45.100 0.060 0.000 0.760 271 G HN 0.785 nan 8.290 nan 0.000 0.557 272 R N 0.111 120.660 120.500 0.082 0.000 2.090 272 R HA 0.050 4.404 4.340 0.023 0.000 0.228 272 R C 2.536 178.897 176.300 0.101 0.000 1.110 272 R CA 1.253 57.410 56.100 0.096 0.000 0.973 272 R CB -0.197 30.173 30.300 0.116 0.000 0.869 272 R HN 0.432 nan 8.270 nan 0.000 0.440 273 E N -0.002 120.266 120.200 0.113 0.000 2.047 273 E HA -0.150 4.214 4.350 0.023 0.000 0.191 273 E C 1.998 178.638 176.600 0.067 0.000 0.987 273 E CA 1.403 57.871 56.400 0.113 0.000 0.799 273 E CB 0.061 29.884 29.700 0.206 0.000 0.752 273 E HN 0.068 nan 8.360 nan 0.000 0.449 274 V N 1.278 121.243 119.914 0.084 0.000 2.295 274 V HA -0.278 3.856 4.120 0.023 0.000 0.246 274 V C 2.300 178.455 176.094 0.102 0.000 1.049 274 V CA 1.552 63.889 62.300 0.063 0.000 1.024 274 V CB -0.394 31.480 31.823 0.085 0.000 0.648 274 V HN 0.352 nan 8.190 nan 0.000 0.447 275 M N -0.325 119.335 119.600 0.099 0.000 2.296 275 M HA -0.103 4.391 4.480 0.023 0.000 0.265 275 M C 2.358 178.777 176.300 0.198 0.000 1.064 275 M CA 1.831 57.211 55.300 0.133 0.000 1.109 275 M CB -0.745 31.895 32.600 0.066 0.000 1.396 275 M HN 0.449 nan 8.290 nan 0.000 0.430 276 A N 0.493 123.393 122.820 0.134 0.000 1.930 276 A HA -0.143 4.191 4.320 0.023 0.000 0.217 276 A C 1.951 179.593 177.584 0.098 0.000 1.175 276 A CA 1.412 53.517 52.037 0.113 0.000 0.627 276 A CB -0.521 18.528 19.000 0.083 0.000 0.815 276 A HN 0.520 nan 8.150 nan 0.000 0.443 277 E N -1.240 119.008 120.200 0.079 0.000 2.072 277 E HA -0.156 4.208 4.350 0.023 0.000 0.191 277 E C 1.745 178.394 176.600 0.081 0.000 0.985 277 E CA 1.224 57.649 56.400 0.041 0.000 0.801 277 E CB -0.290 29.400 29.700 -0.015 0.000 0.750 277 E HN 0.725 nan 8.360 nan 0.000 0.452 278 F N 2.121 122.081 119.950 0.018 0.000 2.069 278 F HA -0.214 4.323 4.527 0.017 0.000 0.298 278 F C 2.444 178.272 175.800 0.047 0.000 1.113 278 F CA 1.732 59.758 58.000 0.043 0.000 1.214 278 F CB -0.105 38.936 39.000 0.068 0.000 0.978 278 F HN -0.222 nan 8.300 nan 0.000 0.474 279 R N 0.345 120.963 120.500 0.196 0.000 2.096 279 R HA -0.237 4.117 4.340 0.023 0.000 0.240 279 R C 2.650 178.910 176.300 -0.067 0.000 1.139 279 R CA 2.041 58.190 56.100 0.083 0.000 0.952 279 R CB -0.478 29.938 30.300 0.193 0.000 0.854 279 R HN 0.363 nan 8.270 nan 0.000 0.436 280 R N -0.301 120.181 120.500 -0.030 0.000 2.115 280 R HA -0.056 4.297 4.340 0.023 0.000 0.230 280 R C 1.920 178.166 176.300 -0.089 0.000 1.111 280 R CA 1.347 57.422 56.100 -0.042 0.000 0.976 280 R CB -0.157 30.135 30.300 -0.014 0.000 0.870 280 R HN 0.307 nan 8.270 nan 0.000 0.445 281 A N -0.096 122.642 122.820 -0.138 0.000 1.970 281 A HA -0.082 4.252 4.320 0.023 0.000 0.216 281 A C 2.022 179.488 177.584 -0.197 0.000 1.170 281 A CA 1.597 53.546 52.037 -0.147 0.000 0.645 281 A CB -0.341 18.578 19.000 -0.135 0.000 0.816 281 A HN 0.594 nan 8.150 nan 0.000 0.447 282 T N -5.567 108.790 114.554 -0.329 0.000 3.023 282 T HA 0.402 4.766 4.350 0.023 0.000 0.249 282 T C 1.551 176.145 174.700 -0.176 0.000 1.050 282 T CA 1.165 63.079 62.100 -0.309 0.000 1.088 282 T CB 0.145 68.662 68.868 -0.585 0.000 0.946 282 T HN 1.606 nan 8.240 nan 0.000 0.480 283 G N 1.409 110.121 108.800 -0.147 0.000 2.179 283 G HA2 -0.214 3.760 3.960 0.023 0.000 0.260 283 G HA3 -0.214 3.760 3.960 0.023 0.000 0.260 283 G C -0.048 174.841 174.900 -0.019 0.000 0.977 283 G CA 0.252 45.316 45.100 -0.060 0.000 0.641 283 G HN 0.636 nan 8.290 nan 0.000 0.533 284 L N 1.791 122.995 121.223 -0.031 0.000 2.331 284 L HA 0.386 4.740 4.340 0.023 0.000 0.278 284 L C -1.554 175.419 176.870 0.171 0.000 1.106 284 L CA -2.016 52.875 54.840 0.084 0.000 0.824 284 L CB 1.094 43.243 42.059 0.150 0.000 1.142 284 L HN -0.085 nan 8.230 nan 0.000 0.443 285 P HA 0.093 nan 4.420 nan 0.000 0.269 285 P C -0.788 176.671 177.300 0.266 0.000 1.215 285 P CA -0.245 62.969 63.100 0.190 0.000 0.780 285 P CB 0.642 32.443 31.700 0.169 0.000 0.898 286 T N -1.464 113.208 114.554 0.198 0.000 2.908 286 T HA 0.835 5.198 4.350 0.023 0.000 0.290 286 T C -0.742 173.992 174.700 0.056 0.000 1.034 286 T CA -0.878 61.328 62.100 0.177 0.000 1.010 286 T CB 1.831 70.797 68.868 0.164 0.000 1.068 286 T HN 0.414 nan 8.240 nan 0.000 0.481 287 A N 1.078 123.926 122.820 0.046 0.000 2.430 287 A HA 0.954 5.288 4.320 0.023 0.000 0.300 287 A C -0.148 177.432 177.584 -0.007 0.000 1.124 287 A CA -0.921 51.078 52.037 -0.062 0.000 0.766 287 A CB 1.966 20.864 19.000 -0.170 0.000 1.328 287 A HN 1.155 nan 8.150 nan 0.000 0.424 288 T N -0.089 114.457 114.554 -0.012 0.000 2.885 288 T HA 0.464 4.828 4.350 0.023 0.000 0.322 288 T C -0.898 173.840 174.700 0.063 0.000 1.387 288 T CA -0.093 62.020 62.100 0.023 0.000 1.041 288 T CB 0.911 69.797 68.868 0.029 0.000 1.287 288 T HN 0.975 nan 8.240 nan 0.000 0.491 289 N N 3.044 121.795 118.700 0.084 0.000 2.232 289 N HA 0.169 4.923 4.740 0.023 0.000 0.240 289 N C 0.477 175.984 175.510 -0.006 0.000 1.307 289 N CA -0.302 52.824 53.050 0.126 0.000 0.859 289 N CB 0.548 39.158 38.487 0.206 0.000 1.260 289 N HN 0.507 nan 8.380 nan 0.000 0.501 290 M N 0.132 119.731 119.600 -0.002 0.000 2.363 290 M HA 0.304 4.798 4.480 0.023 0.000 0.243 290 M C 1.711 177.994 176.300 -0.029 0.000 1.364 290 M CA 0.341 55.611 55.300 -0.051 0.000 1.104 290 M CB 0.411 32.989 32.600 -0.037 0.000 1.570 290 M HN 0.107 nan 8.290 nan 0.000 0.564 291 I N -2.084 118.494 120.570 0.014 0.000 3.968 291 I HA 0.460 4.644 4.170 0.023 0.000 0.328 291 I C 0.696 176.857 176.117 0.075 0.000 1.290 291 I CA -0.061 61.261 61.300 0.036 0.000 1.163 291 I CB 0.378 38.403 38.000 0.042 0.000 1.024 291 I HN 0.032 nan 8.210 nan 0.000 0.413 292 A N 1.459 124.343 122.820 0.107 0.000 3.317 292 A HA 0.439 4.772 4.320 0.023 0.000 0.307 292 A C 0.821 178.582 177.584 0.294 0.000 1.003 292 A CA 0.079 52.224 52.037 0.179 0.000 0.882 292 A CB -0.654 18.449 19.000 0.172 0.000 1.136 292 A HN 0.393 nan 8.150 nan 0.000 0.488 293 T N -2.907 111.713 114.554 0.111 0.000 3.040 293 T HA 0.318 4.682 4.350 0.023 0.000 0.250 293 T C 0.195 174.524 174.700 -0.619 0.000 1.058 293 T CA 0.710 62.789 62.100 -0.034 0.000 0.988 293 T CB -0.352 68.395 68.868 -0.200 0.000 0.993 293 T HN 0.599 nan 8.240 nan 0.000 0.519 294 D N -1.749 118.366 120.400 -0.474 0.000 2.626 294 D HA 0.282 4.936 4.640 0.023 0.000 0.278 294 D C 0.036 176.245 176.300 -0.151 0.000 1.211 294 D CA -1.194 52.388 54.000 -0.697 0.000 0.903 294 D CB -0.035 40.562 40.800 -0.338 0.000 1.408 294 D HN 0.045 nan 8.370 nan 0.000 0.454 295 W N -0.153 121.190 121.300 0.072 0.000 2.363 295 W HA 0.012 4.679 4.660 0.012 0.000 0.296 295 W C 2.582 179.176 176.519 0.124 0.000 1.212 295 W CA 0.959 58.435 57.345 0.219 0.000 1.260 295 W CB -0.115 29.463 29.460 0.195 0.000 1.131 295 W HN 0.429 nan 8.180 nan 0.000 0.530 296 R N 0.870 121.534 120.500 0.273 0.000 2.083 296 R HA -0.224 4.130 4.340 0.023 0.000 0.237 296 R C 2.021 178.428 176.300 0.179 0.000 1.137 296 R CA 2.126 58.333 56.100 0.177 0.000 0.951 296 R CB -0.503 29.884 30.300 0.144 0.000 0.851 296 R HN 0.260 nan 8.270 nan 0.000 0.434 297 Q N -0.247 119.657 119.800 0.173 0.000 2.124 297 Q HA -0.194 4.160 4.340 0.023 0.000 0.202 297 Q C 2.102 178.224 176.000 0.204 0.000 0.977 297 Q CA 1.624 57.542 55.803 0.192 0.000 0.850 297 Q CB -0.149 28.661 28.738 0.121 0.000 0.901 297 Q HN 0.279 nan 8.270 nan 0.000 0.429 298 M N 0.716 120.457 119.600 0.234 0.000 2.108 298 M HA -0.104 4.390 4.480 0.023 0.000 0.261 298 M C 1.896 178.326 176.300 0.217 0.000 1.066 298 M CA 1.941 57.396 55.300 0.257 0.000 1.107 298 M CB -0.787 32.023 32.600 0.350 0.000 1.356 298 M HN 0.218 nan 8.290 nan 0.000 0.406 299 G N -0.803 108.088 108.800 0.151 0.000 2.459 299 G HA2 -0.258 3.716 3.960 0.023 0.000 0.217 299 G HA3 -0.258 3.716 3.960 0.023 0.000 0.217 299 G C 1.462 176.309 174.900 -0.088 0.000 1.183 299 G CA 1.274 46.370 45.100 -0.008 0.000 0.776 299 G HN 0.589 nan 8.290 nan 0.000 0.552 300 H N 0.237 119.386 119.070 0.132 0.000 2.389 300 H HA -0.019 4.542 4.556 0.007 0.000 0.299 300 H C 2.927 178.317 175.328 0.103 0.000 1.081 300 H CA 1.566 57.676 56.048 0.103 0.000 1.345 300 H CB -0.665 29.151 29.762 0.090 0.000 1.393 300 H HN 0.253 nan 8.280 nan 0.000 0.520 301 T N 1.670 116.350 114.554 0.211 0.000 2.720 301 T HA -0.090 4.273 4.350 0.023 0.000 0.268 301 T C 2.437 177.221 174.700 0.140 0.000 1.037 301 T CA 0.791 62.990 62.100 0.165 0.000 1.144 301 T CB -0.284 68.677 68.868 0.155 0.000 0.864 301 T HN 0.182 nan 8.240 nan 0.000 0.444 302 L N 0.718 122.024 121.223 0.139 0.000 2.056 302 L HA -0.083 4.271 4.340 0.023 0.000 0.207 302 L C 2.851 179.768 176.870 0.078 0.000 1.078 302 L CA 0.993 55.903 54.840 0.116 0.000 0.749 302 L CB -0.584 41.557 42.059 0.136 0.000 0.901 302 L HN 0.224 nan 8.230 nan 0.000 0.433 303 S N 0.103 115.854 115.700 0.086 0.000 2.382 303 S HA -0.099 4.385 4.470 0.023 0.000 0.228 303 S C 1.854 176.503 174.600 0.081 0.000 1.027 303 S CA 1.192 59.437 58.200 0.076 0.000 0.991 303 S CB -0.196 63.069 63.200 0.108 0.000 0.823 303 S HN 0.311 nan 8.310 nan 0.000 0.469 304 L N 0.784 122.069 121.223 0.104 0.000 2.509 304 L HA 0.156 4.510 4.340 0.023 0.000 0.222 304 L C 0.279 177.197 176.870 0.079 0.000 1.123 304 L CA 0.147 55.043 54.840 0.093 0.000 0.856 304 L CB -0.386 41.739 42.059 0.110 0.000 0.985 304 L HN 0.239 nan 8.230 nan 0.000 0.456 305 Q N -0.333 119.515 119.800 0.079 0.000 2.463 305 Q HA -0.210 4.144 4.340 0.023 0.000 0.299 305 Q C 1.002 177.053 176.000 0.086 0.000 1.353 305 Q CA 0.502 56.349 55.803 0.074 0.000 0.828 305 Q CB -1.846 26.925 28.738 0.055 0.000 1.157 305 Q HN 0.464 nan 8.270 nan 0.000 0.436 306 S N -1.248 114.510 115.700 0.097 0.000 2.470 306 S HA 0.135 4.619 4.470 0.023 0.000 0.225 306 S C 0.750 175.411 174.600 0.103 0.000 1.006 306 S CA 0.430 58.693 58.200 0.104 0.000 0.934 306 S CB 0.749 64.011 63.200 0.104 0.000 0.778 306 S HN 0.294 nan 8.310 nan 0.000 0.517 307 V N 2.100 122.068 119.914 0.090 0.000 2.577 307 V HA 0.289 4.422 4.120 0.023 0.000 0.303 307 V C -0.542 175.588 176.094 0.059 0.000 1.042 307 V CA -0.682 61.661 62.300 0.071 0.000 0.872 307 V CB 2.072 33.931 31.823 0.059 0.000 0.998 307 V HN 0.087 nan 8.190 nan 0.000 0.423 308 D N 3.130 123.556 120.400 0.043 0.000 2.240 308 D HA 0.227 4.880 4.640 0.023 0.000 0.206 308 D C 0.241 176.529 176.300 -0.021 0.000 0.963 308 D CA 0.886 54.903 54.000 0.027 0.000 0.863 308 D CB 0.464 41.281 40.800 0.029 0.000 0.973 308 D HN 0.502 nan 8.370 nan 0.000 0.501 309 I N 1.672 122.193 120.570 -0.081 0.000 2.464 309 I HA 0.270 4.453 4.170 0.023 0.000 0.277 309 I C -2.577 173.446 176.117 -0.156 0.000 1.040 309 I CA -2.181 59.017 61.300 -0.170 0.000 1.153 309 I CB 1.789 39.560 38.000 -0.381 0.000 1.274 309 I HN -0.327 nan 8.210 nan 0.000 0.469 310 P HA 0.243 nan 4.420 nan 0.000 0.287 310 P C -0.567 176.564 177.300 -0.281 0.000 1.307 310 P CA -0.174 62.845 63.100 -0.136 0.000 0.777 310 P CB 0.665 32.291 31.700 -0.123 0.000 0.883 311 L N 2.905 124.001 121.223 -0.211 0.000 2.334 311 L HA 0.411 4.765 4.340 0.023 0.000 0.286 311 L C 0.913 177.627 176.870 -0.259 0.000 1.108 311 L CA -0.513 54.147 54.840 -0.300 0.000 0.875 311 L CB 0.254 42.251 42.059 -0.102 0.000 1.246 311 L HN 0.328 nan 8.230 nan 0.000 0.439 312 A N 2.212 124.682 122.820 -0.583 0.000 3.094 312 A HA 0.123 4.457 4.320 0.023 0.000 0.288 312 A C 0.087 177.418 177.584 -0.422 0.000 1.519 312 A CA -0.560 51.113 52.037 -0.607 0.000 1.227 312 A CB -0.347 18.066 19.000 -0.977 0.000 1.175 312 A HN 0.638 nan 8.150 nan 0.000 0.568 313 D N 3.171 123.325 120.400 -0.410 0.000 2.502 313 D HA 0.009 4.663 4.640 0.023 0.000 0.249 313 D C -1.173 174.969 176.300 -0.263 0.000 1.188 313 D CA -1.401 52.398 54.000 -0.335 0.000 0.890 313 D CB 1.061 41.617 40.800 -0.407 0.000 1.140 313 D HN 0.233 nan 8.370 nan 0.000 0.505 314 P HA -0.155 nan 4.420 nan 0.000 0.219 314 P C 0.722 177.998 177.300 -0.039 0.000 1.146 314 P CA 1.298 64.380 63.100 -0.030 0.000 0.808 314 P CB 0.051 31.725 31.700 -0.045 0.000 0.779 315 H N -0.642 118.493 119.070 0.107 0.000 2.387 315 H HA -0.094 4.476 4.556 0.023 0.000 0.299 315 H C 1.652 177.166 175.328 0.309 0.000 1.090 315 H CA 1.786 57.980 56.048 0.243 0.000 1.332 315 H CB -0.930 29.015 29.762 0.305 0.000 1.386 315 H HN 0.312 nan 8.280 nan 0.000 0.516 316 F N -3.949 116.194 119.950 0.320 0.000 2.749 316 F HA 0.218 4.757 4.527 0.020 0.000 0.300 316 F C 0.864 176.604 175.800 -0.101 0.000 1.103 316 F CA -0.497 57.530 58.000 0.044 0.000 1.342 316 F CB -0.183 38.798 39.000 -0.032 0.000 1.098 316 F HN -0.031 nan 8.300 nan 0.000 0.586 317 W N 2.307 123.531 121.300 -0.127 0.000 2.998 317 W HA 0.311 4.981 4.660 0.017 0.000 0.336 317 W C 0.267 176.794 176.519 0.012 0.000 1.112 317 W CA 1.084 58.388 57.345 -0.067 0.000 1.682 317 W CB 0.142 29.506 29.460 -0.160 0.000 1.065 317 W HN 0.213 nan 8.180 nan 0.000 0.570 318 T N -3.171 111.510 114.554 0.212 0.000 0.541 318 T HA -0.317 4.046 4.350 0.023 0.000 0.774 318 T C 0.460 175.255 174.700 0.158 0.000 0.992 318 T CA 0.544 62.746 62.100 0.170 0.000 4.077 318 T CB -0.815 68.160 68.868 0.177 0.000 2.303 318 T HN 0.112 nan 8.240 nan 0.000 0.398 319 M N 1.238 120.908 119.600 0.117 0.000 2.099 319 M HA -0.088 4.405 4.480 0.023 0.000 0.262 319 M C 2.772 179.141 176.300 0.115 0.000 1.067 319 M CA 2.394 57.754 55.300 0.100 0.000 1.124 319 M CB -0.502 32.145 32.600 0.078 0.000 1.353 319 M HN 0.779 nan 8.290 nan 0.000 0.410 320 Q N 0.037 119.918 119.800 0.134 0.000 2.124 320 Q HA -0.093 4.261 4.340 0.023 0.000 0.202 320 Q C 2.250 178.349 176.000 0.165 0.000 0.977 320 Q CA 1.428 57.310 55.803 0.131 0.000 0.850 320 Q CB -0.418 28.402 28.738 0.136 0.000 0.901 320 Q HN 0.692 nan 8.270 nan 0.000 0.429 321 G N 0.035 108.977 108.800 0.236 0.000 2.421 321 G HA2 -0.306 3.668 3.960 0.023 0.000 0.216 321 G HA3 -0.306 3.668 3.960 0.023 0.000 0.216 321 G C 1.456 176.491 174.900 0.226 0.000 1.171 321 G CA 0.959 46.278 45.100 0.365 0.000 0.775 321 G HN 0.359 nan 8.290 nan 0.000 0.543 322 S N -0.364 115.423 115.700 0.144 0.000 2.383 322 S HA -0.111 4.373 4.470 0.023 0.000 0.229 322 S C 2.492 177.081 174.600 -0.017 0.000 1.030 322 S CA 1.538 59.755 58.200 0.029 0.000 1.002 322 S CB -0.242 63.044 63.200 0.143 0.000 0.829 322 S HN 0.128 nan 8.310 nan 0.000 0.467 323 V N 2.024 121.911 119.914 -0.045 0.000 2.358 323 V HA -0.084 4.050 4.120 0.023 0.000 0.246 323 V C 2.696 178.706 176.094 -0.140 0.000 1.047 323 V CA 1.727 63.920 62.300 -0.179 0.000 1.035 323 V CB -0.666 31.088 31.823 -0.115 0.000 0.658 323 V HN 0.431 nan 8.190 nan 0.000 0.452 324 R N -0.337 120.177 120.500 0.024 0.000 2.096 324 R HA -0.116 4.238 4.340 0.023 0.000 0.235 324 R C 2.246 178.626 176.300 0.133 0.000 1.127 324 R CA 1.359 57.525 56.100 0.109 0.000 0.968 324 R CB -0.488 29.985 30.300 0.289 0.000 0.861 324 R HN 0.422 nan 8.270 nan 0.000 0.440 325 V N 0.883 120.819 119.914 0.037 0.000 2.358 325 V HA -0.224 3.910 4.120 0.023 0.000 0.246 325 V C 2.478 178.505 176.094 -0.112 0.000 1.047 325 V CA 1.878 64.109 62.300 -0.114 0.000 1.035 325 V CB -0.665 30.824 31.823 -0.556 0.000 0.658 325 V HN 0.375 nan 8.190 nan 0.000 0.452 326 A N -0.717 121.893 122.820 -0.349 0.000 1.908 326 A HA -0.306 4.027 4.320 0.023 0.000 0.218 326 A C 2.177 179.576 177.584 -0.309 0.000 1.181 326 A CA 2.059 53.690 52.037 -0.678 0.000 0.627 326 A CB -0.484 17.674 19.000 -1.403 0.000 0.818 326 A HN 0.631 nan 8.150 nan 0.000 0.445 327 Q N -1.349 118.312 119.800 -0.232 0.000 2.084 327 Q HA -0.164 4.189 4.340 0.023 0.000 0.202 327 Q C 2.233 178.144 176.000 -0.148 0.000 0.978 327 Q CA 1.620 57.339 55.803 -0.139 0.000 0.844 327 Q CB -0.275 28.393 28.738 -0.117 0.000 0.898 327 Q HN 0.771 nan 8.270 nan 0.000 0.426 328 M N 0.023 119.511 119.600 -0.186 0.000 2.080 328 M HA -0.245 4.249 4.480 0.023 0.000 0.260 328 M C 2.093 178.195 176.300 -0.332 0.000 1.068 328 M CA 1.483 56.559 55.300 -0.374 0.000 1.109 328 M CB -0.183 32.285 32.600 -0.219 0.000 1.342 328 M HN 0.390 nan 8.290 nan 0.000 0.405 329 C N -0.486 118.759 119.300 -0.092 0.000 2.413 329 C HA -0.199 4.275 4.460 0.023 0.000 0.276 329 C C 2.650 177.674 174.990 0.057 0.000 1.236 329 C CA 1.557 60.593 59.018 0.030 0.000 1.735 329 C CB -1.664 26.137 27.740 0.102 0.000 2.031 329 C HN 0.677 nan 8.230 nan 0.000 0.474 330 H N 1.077 120.103 119.070 -0.074 0.000 2.353 330 H HA -0.097 4.474 4.556 0.025 0.000 0.300 330 H C 2.014 177.325 175.328 -0.029 0.000 1.090 330 H CA 2.071 58.090 56.048 -0.049 0.000 1.327 330 H CB -0.264 29.447 29.762 -0.085 0.000 1.383 330 H HN 0.539 nan 8.280 nan 0.000 0.508 331 E N -0.968 119.132 120.200 -0.166 0.000 2.150 331 E HA -0.104 4.260 4.350 0.023 0.000 0.193 331 E C 0.940 177.587 176.600 0.078 0.000 0.985 331 E CA 0.833 57.121 56.400 -0.188 0.000 0.814 331 E CB 0.053 29.610 29.700 -0.238 0.000 0.752 331 E HN 0.445 nan 8.360 nan 0.000 0.466 332 F N -0.864 119.064 119.950 -0.037 0.000 2.727 332 F HA 0.327 4.886 4.527 0.053 0.000 0.302 332 F C 1.546 177.336 175.800 -0.016 0.000 1.097 332 F CA 0.386 58.377 58.000 -0.015 0.000 1.330 332 F CB 0.460 39.472 39.000 0.021 0.000 1.084 332 F HN 0.049 nan 8.300 nan 0.000 0.578 333 G N 0.673 109.554 108.800 0.135 0.000 2.141 333 G HA2 -0.252 3.722 3.960 0.023 0.000 0.242 333 G HA3 -0.252 3.722 3.960 0.023 0.000 0.242 333 G C 0.287 175.246 174.900 0.098 0.000 0.982 333 G CA 0.224 45.376 45.100 0.086 0.000 0.662 333 G HN 0.281 nan 8.290 nan 0.000 0.527 334 L N -0.539 120.756 121.223 0.120 0.000 2.635 334 L HA 0.807 5.160 4.340 0.023 0.000 0.250 334 L C 0.593 177.517 176.870 0.089 0.000 1.117 334 L CA -0.696 54.203 54.840 0.100 0.000 0.834 334 L CB 1.100 43.225 42.059 0.109 0.000 1.544 334 L HN 0.088 nan 8.230 nan 0.000 0.511 335 T N -0.869 113.724 114.554 0.065 0.000 2.881 335 T HA 0.232 4.595 4.350 0.023 0.000 0.291 335 T C -1.337 173.408 174.700 0.075 0.000 0.990 335 T CA -0.339 61.801 62.100 0.067 0.000 0.976 335 T CB 1.065 69.937 68.868 0.007 0.000 0.970 335 T HN 0.439 nan 8.240 nan 0.000 0.438 336 W N 3.101 124.344 121.300 -0.096 0.000 2.316 336 W HA 0.637 5.308 4.660 0.018 0.000 0.321 336 W C 0.278 176.714 176.519 -0.138 0.000 1.203 336 W CA 0.148 57.413 57.345 -0.133 0.000 1.214 336 W CB 0.782 30.163 29.460 -0.133 0.000 1.169 336 W HN 0.847 nan 8.180 nan 0.000 0.561 337 G N 1.750 110.074 108.800 -0.794 0.000 3.022 337 G HA2 0.578 4.552 3.960 0.023 0.000 0.284 337 G HA3 0.578 4.552 3.960 0.023 0.000 0.284 337 G C -1.611 172.387 174.900 -1.503 0.000 1.375 337 G CA -0.815 43.734 45.100 -0.918 0.000 0.902 337 G HN 0.507 nan 8.290 nan 0.000 0.538 338 S N -1.231 113.929 115.700 -0.901 0.000 2.572 338 S HA 0.439 4.922 4.470 0.023 0.000 0.274 338 S C -1.083 173.307 174.600 -0.351 0.000 1.150 338 S CA -0.763 57.017 58.200 -0.701 0.000 0.944 338 S CB 0.993 63.780 63.200 -0.689 0.000 1.071 338 S HN 0.935 nan 8.310 nan 0.000 0.479 339 H N 2.684 121.594 119.070 -0.267 0.000 2.505 339 H HA 0.770 5.340 4.556 0.023 0.000 0.355 339 H C -0.455 174.882 175.328 0.014 0.000 1.179 339 H CA 0.174 56.201 56.048 -0.036 0.000 1.343 339 H CB 1.581 31.453 29.762 0.183 0.000 1.501 339 H HN 0.618 nan 8.280 nan 0.000 0.569 340 S N 2.488 117.844 115.700 -0.573 0.000 2.607 340 S HA 0.493 4.977 4.470 0.023 0.000 0.273 340 S C -1.423 173.143 174.600 -0.057 0.000 1.148 340 S CA -0.843 57.261 58.200 -0.160 0.000 0.833 340 S CB 1.376 64.613 63.200 0.062 0.000 1.130 340 S HN 0.864 nan 8.310 nan 0.000 0.470 341 N N 0.757 119.444 118.700 -0.022 0.000 2.509 341 N HA 0.450 5.203 4.740 0.023 0.000 0.280 341 N C -1.683 173.431 175.510 -0.661 0.000 1.306 341 N CA -0.992 51.793 53.050 -0.443 0.000 0.782 341 N CB 0.675 39.056 38.487 -0.177 0.000 1.493 341 N HN 0.688 nan 8.380 nan 0.000 0.498 342 N N 0.473 118.552 118.700 -1.034 0.000 2.292 342 N HA 0.058 4.812 4.740 0.023 0.000 0.258 342 N C -0.934 174.289 175.510 -0.478 0.000 1.261 342 N CA 0.820 53.378 53.050 -0.819 0.000 0.845 342 N CB -0.036 37.774 38.487 -1.128 0.000 1.064 342 N HN 0.577 nan 8.380 nan 0.000 0.471 343 H N -0.852 118.008 119.070 -0.349 0.000 2.960 343 H HA 0.567 5.136 4.556 0.023 0.000 0.323 343 H C -1.248 174.144 175.328 0.105 0.000 1.326 343 H CA -1.018 55.019 56.048 -0.019 0.000 1.124 343 H CB 0.454 30.276 29.762 0.101 0.000 1.853 343 H HN 0.277 nan 8.280 nan 0.000 0.536 344 F N 0.061 120.278 119.950 0.444 0.000 2.362 344 F HA 0.164 4.705 4.527 0.023 0.000 0.340 344 F C 1.385 177.190 175.800 0.008 0.000 1.088 344 F CA -0.334 57.874 58.000 0.348 0.000 1.096 344 F CB 0.669 39.837 39.000 0.280 0.000 1.486 344 F HN 0.794 nan 8.300 nan 0.000 0.500 345 D N -0.315 120.082 120.400 -0.005 0.000 2.348 345 D HA -0.086 4.568 4.640 0.023 0.000 0.216 345 D C 1.794 177.889 176.300 -0.341 0.000 0.970 345 D CA 1.103 54.806 54.000 -0.495 0.000 0.889 345 D CB -0.460 40.064 40.800 -0.460 0.000 0.912 345 D HN 0.430 nan 8.370 nan 0.000 0.524 346 I N 0.616 121.132 120.570 -0.091 0.000 2.233 346 I HA -0.205 3.979 4.170 0.023 0.000 0.243 346 I C 2.227 178.287 176.117 -0.095 0.000 1.093 346 I CA 0.777 62.015 61.300 -0.103 0.000 1.380 346 I CB -0.164 37.831 38.000 -0.007 0.000 1.067 346 I HN -0.090 nan 8.210 nan 0.000 0.413 347 S N 0.942 116.677 115.700 0.059 0.000 2.382 347 S HA -0.159 4.324 4.470 0.023 0.000 0.228 347 S C 1.921 176.336 174.600 -0.307 0.000 1.027 347 S CA 1.074 59.355 58.200 0.135 0.000 0.991 347 S CB -0.395 62.996 63.200 0.318 0.000 0.823 347 S HN 0.287 nan 8.310 nan 0.000 0.469 348 L N 2.185 123.112 121.223 -0.493 0.000 2.013 348 L HA -0.166 4.188 4.340 0.023 0.000 0.212 348 L C 2.342 178.613 176.870 -0.998 0.000 1.073 348 L CA 2.174 56.402 54.840 -1.021 0.000 0.753 348 L CB -1.092 40.480 42.059 -0.812 0.000 0.890 348 L HN 0.256 nan 8.230 nan 0.000 0.432 349 A N -0.952 121.393 122.820 -0.792 0.000 1.902 349 A HA -0.243 4.091 4.320 0.023 0.000 0.217 349 A C 2.277 179.778 177.584 -0.138 0.000 1.181 349 A CA 2.170 53.854 52.037 -0.587 0.000 0.623 349 A CB -0.573 18.023 19.000 -0.673 0.000 0.818 349 A HN 0.564 nan 8.150 nan 0.000 0.443 350 M N -0.872 118.641 119.600 -0.146 0.000 2.065 350 M HA -0.147 4.347 4.480 0.023 0.000 0.259 350 M C 2.092 178.438 176.300 0.077 0.000 1.069 350 M CA 2.283 57.586 55.300 0.005 0.000 1.110 350 M CB -0.658 31.938 32.600 -0.007 0.000 1.328 350 M HN 0.699 nan 8.290 nan 0.000 0.405 351 F N -1.019 118.932 119.950 0.000 0.000 2.502 351 F HA 0.059 4.600 4.527 0.024 0.000 0.298 351 F C 2.001 177.851 175.800 0.084 0.000 1.111 351 F CA 0.892 58.913 58.000 0.034 0.000 1.445 351 F CB -1.751 37.254 39.000 0.008 0.000 1.081 351 F HN -0.069 nan 8.300 nan 0.000 0.558 352 T N -0.139 114.406 114.554 -0.016 0.000 2.737 352 T HA -0.155 4.209 4.350 0.023 0.000 0.265 352 T C 1.741 176.446 174.700 0.007 0.000 1.038 352 T CA 1.818 63.931 62.100 0.022 0.000 1.144 352 T CB -0.497 68.362 68.868 -0.014 0.000 0.866 352 T HN 0.446 nan 8.240 nan 0.000 0.434 353 H N 0.243 119.372 119.070 0.098 0.000 2.387 353 H HA 0.022 4.591 4.556 0.022 0.000 0.299 353 H C 2.435 177.794 175.328 0.053 0.000 1.090 353 H CA 1.003 57.090 56.048 0.066 0.000 1.332 353 H CB -0.392 29.398 29.762 0.046 0.000 1.386 353 H HN 0.185 nan 8.280 nan 0.000 0.516 354 V N 1.010 121.045 119.914 0.202 0.000 2.270 354 V HA -0.213 3.921 4.120 0.023 0.000 0.245 354 V C 2.816 178.956 176.094 0.076 0.000 1.043 354 V CA 1.550 63.937 62.300 0.145 0.000 1.014 354 V CB -0.929 31.019 31.823 0.208 0.000 0.645 354 V HN 0.447 nan 8.190 nan 0.000 0.447 355 A N -0.040 122.909 122.820 0.215 0.000 1.972 355 A HA -0.091 4.243 4.320 0.023 0.000 0.219 355 A C 2.357 179.933 177.584 -0.013 0.000 1.169 355 A CA 1.843 53.981 52.037 0.170 0.000 0.635 355 A CB -0.715 18.533 19.000 0.412 0.000 0.810 355 A HN 0.589 nan 8.150 nan 0.000 0.446 356 A N -0.607 122.220 122.820 0.012 0.000 2.070 356 A HA 0.225 4.559 4.320 0.023 0.000 0.220 356 A C 2.103 179.648 177.584 -0.064 0.000 1.159 356 A CA 1.741 53.762 52.037 -0.027 0.000 0.656 356 A CB -0.534 18.452 19.000 -0.024 0.000 0.800 356 A HN 1.074 nan 8.150 nan 0.000 0.453 357 A N -1.142 121.620 122.820 -0.097 0.000 2.308 357 A HA 0.640 4.973 4.320 0.023 0.000 0.217 357 A C 1.142 178.570 177.584 -0.260 0.000 1.216 357 A CA 0.569 52.524 52.037 -0.137 0.000 0.864 357 A CB -0.431 18.515 19.000 -0.091 0.000 0.902 357 A HN 0.872 nan 8.150 nan 0.000 0.499 358 A N 1.992 124.579 122.820 -0.389 0.000 2.396 358 A HA 0.583 4.916 4.320 0.023 0.000 0.279 358 A C -2.557 174.801 177.584 -0.377 0.000 1.165 358 A CA -1.252 50.429 52.037 -0.593 0.000 0.824 358 A CB -0.099 18.327 19.000 -0.957 0.000 1.100 358 A HN 0.248 nan 8.150 nan 0.000 0.516 359 P HA 0.544 nan 4.420 nan 0.000 0.278 359 P C 0.816 177.825 177.300 -0.485 0.000 1.258 359 P CA 1.062 63.921 63.100 -0.402 0.000 0.811 359 P CB 1.099 32.528 31.700 -0.451 0.000 1.063 360 G N -0.830 107.655 108.800 -0.526 0.000 2.553 360 G HA2 0.034 4.008 3.960 0.023 0.000 0.242 360 G HA3 0.034 4.008 3.960 0.023 0.000 0.242 360 G C -0.338 174.496 174.900 -0.110 0.000 1.277 360 G CA 0.082 44.959 45.100 -0.371 0.000 0.910 360 G HN 0.763 nan 8.290 nan 0.000 0.576 361 K N 0.053 120.457 120.400 0.007 0.000 2.234 361 K HA 0.740 5.073 4.320 0.023 0.000 0.277 361 K C 0.475 177.112 176.600 0.063 0.000 1.038 361 K CA 0.136 56.445 56.287 0.036 0.000 0.888 361 K CB 0.352 32.886 32.500 0.057 0.000 1.091 361 K HN 1.698 nan 8.250 nan 0.000 0.467 362 I N -1.742 118.874 120.570 0.075 0.000 2.863 362 I HA 0.666 4.850 4.170 0.023 0.000 0.311 362 I C 0.398 176.569 176.117 0.091 0.000 1.026 362 I CA -0.827 60.557 61.300 0.140 0.000 1.077 362 I CB 2.437 40.590 38.000 0.256 0.000 1.262 362 I HN 0.438 nan 8.210 nan 0.000 0.461 363 T N 1.989 116.576 114.554 0.055 0.000 2.816 363 T HA 0.581 4.944 4.350 0.023 0.000 0.282 363 T C 0.207 174.907 174.700 0.000 0.000 0.993 363 T CA -0.175 61.922 62.100 -0.004 0.000 0.994 363 T CB 0.822 69.627 68.868 -0.105 0.000 1.025 363 T HN 0.849 nan 8.240 nan 0.000 0.529 364 A N 3.413 126.232 122.820 -0.001 0.000 2.488 364 A HA 0.410 4.743 4.320 0.023 0.000 0.249 364 A C 0.304 177.852 177.584 -0.061 0.000 1.083 364 A CA -0.405 51.626 52.037 -0.009 0.000 0.768 364 A CB -0.300 18.683 19.000 -0.029 0.000 1.017 364 A HN 0.683 nan 8.150 nan 0.000 0.496 365 I N 2.724 123.271 120.570 -0.039 0.000 2.471 365 I HA 0.077 4.261 4.170 0.023 0.000 0.286 365 I C 0.098 176.140 176.117 -0.125 0.000 1.079 365 I CA -0.336 60.903 61.300 -0.102 0.000 1.398 365 I CB 0.165 38.175 38.000 0.015 0.000 1.403 365 I HN 0.556 nan 8.210 nan 0.000 0.530 366 D N 4.115 124.384 120.400 -0.219 0.000 2.414 366 D HA 0.348 5.002 4.640 0.023 0.000 0.242 366 D C 0.397 176.632 176.300 -0.108 0.000 1.129 366 D CA 0.511 54.397 54.000 -0.190 0.000 0.885 366 D CB 0.844 41.513 40.800 -0.218 0.000 1.198 366 D HN 0.543 nan 8.370 nan 0.000 0.437 367 T N 0.485 115.123 114.554 0.139 0.000 2.942 367 T HA 0.248 4.612 4.350 0.023 0.000 0.327 367 T C -0.425 174.568 174.700 0.489 0.000 1.360 367 T CA -0.544 61.804 62.100 0.413 0.000 1.055 367 T CB 0.725 69.993 68.868 0.666 0.000 1.261 367 T HN 0.386 nan 8.240 nan 0.000 0.485 368 H N 2.114 121.503 119.070 0.532 0.000 2.575 368 H HA 0.280 4.850 4.556 0.022 0.000 0.267 368 H C 1.526 177.026 175.328 0.287 0.000 0.966 368 H CA 0.114 56.377 56.048 0.359 0.000 1.165 368 H CB 0.249 30.072 29.762 0.102 0.000 1.433 368 H HN 0.611 nan 8.280 nan 0.000 0.544 369 W N 2.220 123.602 121.300 0.137 0.000 2.275 369 W HA -0.337 4.337 4.660 0.023 0.000 0.321 369 W C 1.635 178.165 176.519 0.018 0.000 1.269 369 W CA 2.163 59.492 57.345 -0.026 0.000 1.274 369 W CB -0.241 29.292 29.460 0.121 0.000 1.141 369 W HN 0.375 nan 8.180 nan 0.000 0.493 370 I N -1.904 118.585 120.570 -0.135 0.000 2.315 370 I HA -0.288 3.896 4.170 0.023 0.000 0.251 370 I C 1.974 178.093 176.117 0.003 0.000 1.125 370 I CA 2.103 63.207 61.300 -0.327 0.000 1.392 370 I CB -1.426 36.159 38.000 -0.691 0.000 1.065 370 I HN -0.057 nan 8.210 nan 0.000 0.424 371 W N 1.004 122.367 121.300 0.105 0.000 2.402 371 W HA -0.066 4.607 4.660 0.022 0.000 0.286 371 W C 2.417 178.843 176.519 -0.156 0.000 1.221 371 W CA 0.630 57.973 57.345 -0.004 0.000 1.257 371 W CB -0.411 28.972 29.460 -0.129 0.000 1.120 371 W HN 0.174 nan 8.180 nan 0.000 0.551 372 Q N -0.191 119.539 119.800 -0.116 0.000 2.396 372 Q HA 0.036 4.390 4.340 0.023 0.000 0.209 372 Q C 0.952 176.622 176.000 -0.549 0.000 0.906 372 Q CA 0.418 56.063 55.803 -0.263 0.000 0.927 372 Q CB -0.198 28.391 28.738 -0.249 0.000 1.069 372 Q HN 0.019 nan 8.270 nan 0.000 0.523 373 E N -0.225 119.456 120.200 -0.864 0.000 2.415 373 E HA 0.165 4.528 4.350 0.023 0.000 0.262 373 E C 0.762 177.187 176.600 -0.291 0.000 1.038 373 E CA 1.109 56.989 56.400 -0.867 0.000 0.921 373 E CB 0.432 29.661 29.700 -0.785 0.000 0.950 373 E HN 0.339 nan 8.360 nan 0.000 0.438 374 G N 4.506 113.213 108.800 -0.155 0.000 2.729 374 G HA2 -0.329 3.645 3.960 0.023 0.000 0.216 374 G HA3 -0.329 3.645 3.960 0.023 0.000 0.216 374 G C 0.595 175.403 174.900 -0.152 0.000 1.252 374 G CA 0.464 45.478 45.100 -0.143 0.000 0.751 374 G HN 0.635 nan 8.290 nan 0.000 0.527 375 N N 1.255 119.832 118.700 -0.206 0.000 2.214 375 N HA 0.278 5.032 4.740 0.023 0.000 0.214 375 N C 0.271 175.800 175.510 0.032 0.000 1.132 375 N CA 0.357 53.347 53.050 -0.100 0.000 0.856 375 N CB 0.434 38.824 38.487 -0.162 0.000 1.020 375 N HN 0.686 nan 8.380 nan 0.000 0.509 376 Q N 0.505 120.364 119.800 0.098 0.000 2.309 376 Q HA 0.477 4.830 4.340 0.023 0.000 0.273 376 Q C -1.137 175.119 176.000 0.426 0.000 1.040 376 Q CA -0.795 55.176 55.803 0.282 0.000 0.834 376 Q CB 3.070 32.035 28.738 0.379 0.000 1.345 376 Q HN 0.419 nan 8.270 nan 0.000 0.414 377 R N 1.275 122.034 120.500 0.431 0.000 2.687 377 R HA 0.375 4.729 4.340 0.023 0.000 0.265 377 R C -1.264 175.145 176.300 0.183 0.000 1.048 377 R CA -0.744 55.614 56.100 0.430 0.000 0.884 377 R CB 0.431 30.941 30.300 0.350 0.000 1.258 377 R HN 0.653 nan 8.270 nan 0.000 0.469 378 L N 0.532 121.807 121.223 0.086 0.000 2.731 378 L HA 0.212 4.566 4.340 0.023 0.000 0.240 378 L C 0.470 177.322 176.870 -0.029 0.000 1.120 378 L CA 0.394 55.183 54.840 -0.085 0.000 0.913 378 L CB 1.008 42.918 42.059 -0.248 0.000 1.213 378 L HN 0.911 nan 8.230 nan 0.000 0.515 379 T N -4.828 109.740 114.554 0.023 0.000 2.926 379 T HA 0.322 4.686 4.350 0.023 0.000 0.289 379 T C 0.842 175.575 174.700 0.055 0.000 1.054 379 T CA -0.824 61.286 62.100 0.016 0.000 1.015 379 T CB 2.133 70.992 68.868 -0.015 0.000 1.167 379 T HN -0.110 nan 8.240 nan 0.000 0.526 380 K N 0.532 120.962 120.400 0.050 0.000 2.032 380 K HA -0.057 4.276 4.320 0.023 0.000 0.209 380 K C 0.175 176.831 176.600 0.092 0.000 1.048 380 K CA 1.450 57.776 56.287 0.065 0.000 0.927 380 K CB -0.085 32.447 32.500 0.052 0.000 0.712 380 K HN 0.702 nan 8.250 nan 0.000 0.441 381 E N 0.892 121.158 120.200 0.109 0.000 2.580 381 E HA 0.217 4.580 4.350 0.023 0.000 0.248 381 E C -2.676 174.038 176.600 0.191 0.000 1.018 381 E CA -1.859 54.628 56.400 0.145 0.000 0.775 381 E CB 1.511 31.290 29.700 0.132 0.000 1.378 381 E HN 0.006 nan 8.360 nan 0.000 0.401 382 P HA -0.044 nan 4.420 nan 0.000 0.264 382 P C -0.485 177.006 177.300 0.317 0.000 1.183 382 P CA 0.011 63.227 63.100 0.194 0.000 0.763 382 P CB 0.304 32.214 31.700 0.349 0.000 0.807 383 F N 1.619 121.551 119.950 -0.029 0.000 2.563 383 F HA 0.058 4.599 4.527 0.022 0.000 0.363 383 F C 1.512 177.353 175.800 0.069 0.000 1.123 383 F CA -0.016 57.970 58.000 -0.024 0.000 1.307 383 F CB -0.365 38.564 39.000 -0.118 0.000 1.115 383 F HN 0.333 nan 8.300 nan 0.000 0.592 384 E N 2.944 123.302 120.200 0.264 0.000 2.212 384 E HA 0.515 4.878 4.350 0.023 0.000 0.270 384 E C -0.914 175.807 176.600 0.201 0.000 0.956 384 E CA -0.805 55.750 56.400 0.258 0.000 0.825 384 E CB 2.215 32.026 29.700 0.185 0.000 1.167 384 E HN 0.352 nan 8.360 nan 0.000 0.400 385 I N 2.304 123.021 120.570 0.245 0.000 2.328 385 I HA 0.238 4.422 4.170 0.023 0.000 0.287 385 I C -0.440 175.712 176.117 0.059 0.000 1.012 385 I CA -0.333 61.055 61.300 0.147 0.000 1.195 385 I CB 0.682 38.762 38.000 0.134 0.000 1.350 385 I HN 0.205 nan 8.210 nan 0.000 0.464 386 K N 4.302 124.689 120.400 -0.022 0.000 2.471 386 K HA 0.542 4.876 4.320 0.023 0.000 0.252 386 K C 0.395 176.933 176.600 -0.102 0.000 0.938 386 K CA -0.731 55.508 56.287 -0.079 0.000 0.796 386 K CB 2.062 34.531 32.500 -0.051 0.000 1.161 386 K HN 0.774 nan 8.250 nan 0.000 0.425 387 G N 1.591 110.300 108.800 -0.151 0.000 2.225 387 G HA2 -0.244 3.730 3.960 0.023 0.000 0.267 387 G HA3 -0.244 3.730 3.960 0.023 0.000 0.267 387 G C 0.761 175.603 174.900 -0.097 0.000 1.024 387 G CA 0.728 45.761 45.100 -0.111 0.000 0.784 387 G HN 1.222 nan 8.290 nan 0.000 0.507 388 G N -2.269 106.410 108.800 -0.201 0.000 2.148 388 G HA2 -0.161 3.812 3.960 0.023 0.000 0.254 388 G HA3 -0.161 3.812 3.960 0.023 0.000 0.254 388 G C 0.254 175.152 174.900 -0.003 0.000 0.981 388 G CA 0.902 45.916 45.100 -0.144 0.000 0.670 388 G HN 1.473 nan 8.290 nan 0.000 0.528 389 L N -0.670 120.542 121.223 -0.018 0.000 2.341 389 L HA 0.822 5.176 4.340 0.023 0.000 0.267 389 L C -0.056 176.831 176.870 0.028 0.000 1.009 389 L CA -1.449 53.403 54.840 0.021 0.000 0.819 389 L CB 2.460 44.521 42.059 0.002 0.000 1.323 389 L HN -0.086 nan 8.230 nan 0.000 0.425 390 V N 1.395 121.332 119.914 0.039 0.000 2.487 390 V HA 0.341 4.475 4.120 0.023 0.000 0.298 390 V C -0.482 175.581 176.094 -0.052 0.000 1.028 390 V CA -0.835 61.478 62.300 0.022 0.000 0.860 390 V CB 1.706 33.580 31.823 0.085 0.000 0.991 390 V HN 0.613 nan 8.190 nan 0.000 0.427 391 Q N 2.843 122.572 119.800 -0.119 0.000 2.314 391 Q HA 0.346 4.700 4.340 0.023 0.000 0.258 391 Q C -0.344 175.479 176.000 -0.294 0.000 0.954 391 Q CA -0.286 55.414 55.803 -0.170 0.000 0.890 391 Q CB 1.765 30.403 28.738 -0.167 0.000 1.210 391 Q HN 0.549 nan 8.270 nan 0.000 0.410 392 V N 5.598 125.370 119.914 -0.237 0.000 2.405 392 V HA 0.148 4.281 4.120 0.023 0.000 0.264 392 V C -1.898 174.036 176.094 -0.266 0.000 1.048 392 V CA -1.387 60.736 62.300 -0.295 0.000 0.966 392 V CB 0.278 31.986 31.823 -0.192 0.000 1.015 392 V HN 0.613 nan 8.190 nan 0.000 0.477 393 P HA 0.161 nan 4.420 nan 0.000 0.269 393 P C 0.575 177.851 177.300 -0.040 0.000 1.215 393 P CA -0.177 62.809 63.100 -0.189 0.000 0.780 393 P CB 0.980 32.575 31.700 -0.176 0.000 0.898 394 E N 0.824 121.002 120.200 -0.036 0.000 2.340 394 E HA -0.024 4.339 4.350 0.023 0.000 0.194 394 E C 0.706 177.308 176.600 0.004 0.000 0.996 394 E CA 0.497 56.891 56.400 -0.009 0.000 0.869 394 E CB -0.036 29.649 29.700 -0.025 0.000 0.835 394 E HN 0.508 nan 8.360 nan 0.000 0.493 395 K N 2.012 122.413 120.400 0.002 0.000 2.336 395 K HA 0.118 4.451 4.320 0.023 0.000 0.262 395 K C -2.536 174.064 176.600 -0.001 0.000 0.992 395 K CA -1.419 54.867 56.287 -0.001 0.000 0.927 395 K CB -0.551 31.949 32.500 -0.000 0.000 0.956 395 K HN -0.279 nan 8.250 nan 0.000 0.495 396 P HA 0.028 nan 4.420 nan 0.000 0.269 396 P C 0.519 177.766 177.300 -0.088 0.000 1.215 396 P CA 0.935 63.994 63.100 -0.068 0.000 0.780 396 P CB 0.256 31.902 31.700 -0.090 0.000 0.898 397 G N 0.861 109.582 108.800 -0.131 0.000 2.569 397 G HA2 -0.297 3.677 3.960 0.023 0.000 0.259 397 G HA3 -0.297 3.677 3.960 0.023 0.000 0.259 397 G C 0.696 175.469 174.900 -0.213 0.000 1.263 397 G CA 0.096 45.099 45.100 -0.162 0.000 0.928 397 G HN 0.473 nan 8.290 nan 0.000 0.572 398 L N 1.727 122.863 121.223 -0.144 0.000 2.465 398 L HA 0.312 4.666 4.340 0.023 0.000 0.224 398 L C 2.434 179.455 176.870 0.252 0.000 1.145 398 L CA 1.256 56.059 54.840 -0.061 0.000 0.834 398 L CB -0.529 41.523 42.059 -0.012 0.000 0.944 398 L HN 2.146 nan 8.230 nan 0.000 0.451 399 G N 0.649 109.543 108.800 0.158 0.000 2.160 399 G HA2 -0.223 3.750 3.960 0.023 0.000 0.244 399 G HA3 -0.223 3.750 3.960 0.023 0.000 0.244 399 G C 0.115 175.174 174.900 0.266 0.000 1.022 399 G CA 0.240 45.480 45.100 0.233 0.000 0.741 399 G HN 0.312 nan 8.290 nan 0.000 0.508 400 V N -4.055 115.938 119.914 0.133 0.000 3.046 400 V HA 0.940 5.074 4.120 0.023 0.000 0.316 400 V C -0.331 175.784 176.094 0.035 0.000 1.104 400 V CA -1.392 60.953 62.300 0.076 0.000 1.006 400 V CB 2.275 34.074 31.823 -0.039 0.000 1.058 400 V HN 0.217 nan 8.190 nan 0.000 0.440 401 E N 2.162 122.380 120.200 0.030 0.000 2.235 401 E HA 0.414 4.778 4.350 0.023 0.000 0.252 401 E C -1.060 175.544 176.600 0.006 0.000 0.886 401 E CA -0.808 55.603 56.400 0.018 0.000 0.767 401 E CB 2.231 31.948 29.700 0.028 0.000 1.205 401 E HN 0.765 nan 8.360 nan 0.000 0.421 402 I N 2.525 123.090 120.570 -0.008 0.000 2.815 402 I HA -0.090 4.094 4.170 0.023 0.000 0.291 402 I C 0.038 176.147 176.117 -0.013 0.000 1.209 402 I CA 0.410 61.698 61.300 -0.021 0.000 1.431 402 I CB 0.428 38.411 38.000 -0.030 0.000 1.351 402 I HN 0.411 nan 8.210 nan 0.000 0.585 403 D N 7.901 128.290 120.400 -0.019 0.000 2.493 403 D HA 0.099 4.753 4.640 0.023 0.000 0.235 403 D C 0.958 177.243 176.300 -0.025 0.000 1.117 403 D CA -0.360 53.634 54.000 -0.010 0.000 0.930 403 D CB 0.683 41.486 40.800 0.006 0.000 1.010 403 D HN 0.442 nan 8.370 nan 0.000 0.514 404 M N 1.568 121.154 119.600 -0.023 0.000 2.144 404 M HA -0.170 4.324 4.480 0.023 0.000 0.260 404 M C 1.472 177.758 176.300 -0.023 0.000 1.067 404 M CA 1.331 56.613 55.300 -0.030 0.000 1.095 404 M CB -0.778 31.807 32.600 -0.024 0.000 1.365 404 M HN 0.372 nan 8.290 nan 0.000 0.406 405 D N -0.190 120.205 120.400 -0.009 0.000 2.097 405 D HA -0.174 4.480 4.640 0.023 0.000 0.195 405 D C 2.066 178.364 176.300 -0.003 0.000 0.989 405 D CA 1.213 55.213 54.000 -0.001 0.000 0.827 405 D CB 0.176 40.981 40.800 0.009 0.000 0.966 405 D HN 0.253 nan 8.370 nan 0.000 0.456 406 Q N -0.013 119.782 119.800 -0.008 0.000 2.124 406 Q HA -0.101 4.252 4.340 0.023 0.000 0.202 406 Q C 2.501 178.468 176.000 -0.057 0.000 0.977 406 Q CA 0.683 56.478 55.803 -0.014 0.000 0.850 406 Q CB -0.420 28.312 28.738 -0.010 0.000 0.901 406 Q HN 0.314 nan 8.270 nan 0.000 0.429 407 V N 1.086 120.952 119.914 -0.080 0.000 2.287 407 V HA -0.281 3.852 4.120 0.023 0.000 0.248 407 V C 2.333 178.395 176.094 -0.054 0.000 1.053 407 V CA 1.569 63.800 62.300 -0.115 0.000 1.027 407 V CB -0.483 31.274 31.823 -0.111 0.000 0.646 407 V HN 0.337 nan 8.190 nan 0.000 0.447 408 M N -0.439 119.152 119.600 -0.015 0.000 2.175 408 M HA -0.120 4.373 4.480 0.023 0.000 0.264 408 M C 2.079 178.411 176.300 0.053 0.000 1.063 408 M CA 1.534 56.860 55.300 0.042 0.000 1.119 408 M CB -1.203 31.414 32.600 0.030 0.000 1.377 408 M HN 0.340 nan 8.290 nan 0.000 0.415 409 K N 0.254 120.668 120.400 0.023 0.000 2.097 409 K HA -0.030 4.304 4.320 0.023 0.000 0.206 409 K C 2.133 178.747 176.600 0.023 0.000 1.049 409 K CA 1.367 57.671 56.287 0.027 0.000 0.933 409 K CB -0.252 32.270 32.500 0.038 0.000 0.717 409 K HN 0.293 nan 8.250 nan 0.000 0.442 410 A N 1.098 123.918 122.820 0.001 0.000 1.898 410 A HA -0.215 4.119 4.320 0.023 0.000 0.216 410 A C 1.982 179.578 177.584 0.020 0.000 1.181 410 A CA 1.723 53.748 52.037 -0.020 0.000 0.620 410 A CB -0.699 18.206 19.000 -0.159 0.000 0.819 410 A HN 0.348 nan 8.150 nan 0.000 0.442 411 H N 0.279 119.308 119.070 -0.069 0.000 2.321 411 H HA -0.094 4.476 4.556 0.023 0.000 0.300 411 H C 1.878 177.222 175.328 0.025 0.000 1.087 411 H CA 2.155 58.178 56.048 -0.041 0.000 1.319 411 H CB -0.214 29.510 29.762 -0.064 0.000 1.379 411 H HN 0.622 nan 8.280 nan 0.000 0.501 412 E N -0.339 119.791 120.200 -0.117 0.000 2.110 412 E HA -0.133 4.230 4.350 0.023 0.000 0.193 412 E C 2.201 178.717 176.600 -0.140 0.000 0.988 412 E CA 0.961 57.261 56.400 -0.167 0.000 0.804 412 E CB -0.163 29.495 29.700 -0.071 0.000 0.745 412 E HN 0.306 nan 8.360 nan 0.000 0.458 413 L N 0.364 121.537 121.223 -0.083 0.000 2.042 413 L HA -0.228 4.126 4.340 0.023 0.000 0.210 413 L C 2.204 178.979 176.870 -0.159 0.000 1.076 413 L CA 1.760 56.533 54.840 -0.111 0.000 0.749 413 L CB -0.588 41.395 42.059 -0.128 0.000 0.893 413 L HN 0.171 nan 8.230 nan 0.000 0.432 414 Y N -0.486 119.660 120.300 -0.255 0.000 2.114 414 Y HA -0.275 4.289 4.550 0.023 0.000 0.284 414 Y C 2.566 178.325 175.900 -0.235 0.000 1.143 414 Y CA 1.971 59.928 58.100 -0.239 0.000 1.135 414 Y CB -0.127 38.235 38.460 -0.163 0.000 0.980 414 Y HN 0.269 nan 8.280 nan 0.000 0.499 415 Q N 0.833 120.525 119.800 -0.179 0.000 2.050 415 Q HA -0.237 4.116 4.340 0.023 0.000 0.202 415 Q C 2.268 178.108 176.000 -0.266 0.000 0.980 415 Q CA 1.941 57.597 55.803 -0.244 0.000 0.840 415 Q CB -0.594 27.980 28.738 -0.274 0.000 0.898 415 Q HN 0.527 nan 8.270 nan 0.000 0.424 416 K N 0.140 120.380 120.400 -0.267 0.000 2.074 416 K HA -0.177 4.157 4.320 0.023 0.000 0.209 416 K C 1.495 177.812 176.600 -0.473 0.000 1.048 416 K CA 1.384 57.462 56.287 -0.349 0.000 0.926 416 K CB -0.044 32.230 32.500 -0.377 0.000 0.713 416 K HN 0.367 nan 8.250 nan 0.000 0.444 417 H N -1.105 117.746 119.070 -0.366 0.000 2.526 417 H HA 0.115 4.685 4.556 0.023 0.000 0.274 417 H C 0.451 175.590 175.328 -0.316 0.000 0.999 417 H CA 0.487 56.326 56.048 -0.349 0.000 1.157 417 H CB 0.469 29.942 29.762 -0.482 0.000 1.407 417 H HN 0.505 nan 8.280 nan 0.000 0.568 418 G N 2.012 110.643 108.800 -0.281 0.000 2.372 418 G HA2 -0.273 3.701 3.960 0.023 0.000 0.297 418 G HA3 -0.273 3.701 3.960 0.023 0.000 0.297 418 G C -0.010 174.682 174.900 -0.346 0.000 1.005 418 G CA 0.127 45.054 45.100 -0.288 0.000 1.173 418 G HN 0.258 nan 8.290 nan 0.000 0.511 419 L N -0.471 120.373 121.223 -0.632 0.000 2.400 419 L HA 0.908 5.262 4.340 0.023 0.000 0.264 419 L C 1.249 177.780 176.870 -0.566 0.000 1.061 419 L CA -0.148 54.355 54.840 -0.562 0.000 0.799 419 L CB 1.542 43.292 42.059 -0.514 0.000 1.240 419 L HN 0.523 nan 8.230 nan 0.000 0.461 420 G N -0.843 107.861 108.800 -0.160 0.000 2.619 420 G HA2 0.512 4.486 3.960 0.023 0.000 0.146 420 G HA3 0.512 4.486 3.960 0.023 0.000 0.146 420 G C -1.457 173.489 174.900 0.077 0.000 1.192 420 G CA -0.016 45.121 45.100 0.061 0.000 1.063 420 G HN 0.763 nan 8.290 nan 0.000 0.538 421 A N 0.135 122.989 122.820 0.056 0.000 2.498 421 A HA 0.555 4.888 4.320 0.023 0.000 0.239 421 A C 0.931 178.508 177.584 -0.010 0.000 1.068 421 A CA 0.356 52.413 52.037 0.034 0.000 0.766 421 A CB -0.003 19.037 19.000 0.067 0.000 1.003 421 A HN 0.907 nan 8.150 nan 0.000 0.497 422 R N 0.771 121.212 120.500 -0.098 0.000 2.638 422 R HA 0.127 4.481 4.340 0.023 0.000 0.268 422 R C -1.148 175.101 176.300 -0.086 0.000 1.006 422 R CA 0.806 56.767 56.100 -0.232 0.000 1.088 422 R CB 0.239 30.133 30.300 -0.678 0.000 0.950 422 R HN 0.730 nan 8.270 nan 0.000 0.419 423 D N 2.531 122.893 120.400 -0.062 0.000 2.319 423 D HA 0.143 4.797 4.640 0.023 0.000 0.237 423 D C -0.933 175.397 176.300 0.049 0.000 1.353 423 D CA -0.566 53.466 54.000 0.053 0.000 0.992 423 D CB 1.210 42.051 40.800 0.067 0.000 1.368 423 D HN 0.509 nan 8.370 nan 0.000 0.564 424 D N 1.994 122.449 120.400 0.091 0.000 2.355 424 D HA 0.121 4.775 4.640 0.023 0.000 0.218 424 D C 1.866 178.230 176.300 0.106 0.000 1.004 424 D CA 0.632 54.680 54.000 0.081 0.000 0.880 424 D CB 0.376 41.248 40.800 0.121 0.000 0.911 424 D HN 0.484 nan 8.370 nan 0.000 0.528 425 A N 0.753 123.704 122.820 0.219 0.000 2.014 425 A HA -0.101 4.233 4.320 0.023 0.000 0.218 425 A C 2.023 179.717 177.584 0.183 0.000 1.163 425 A CA 0.672 52.910 52.037 0.335 0.000 0.652 425 A CB -0.378 18.883 19.000 0.435 0.000 0.808 425 A HN 0.124 nan 8.150 nan 0.000 0.449 426 M N 0.448 120.123 119.600 0.126 0.000 2.082 426 M HA -0.171 4.322 4.480 0.023 0.000 0.258 426 M C 2.088 178.455 176.300 0.111 0.000 1.071 426 M CA 2.367 57.725 55.300 0.097 0.000 1.103 426 M CB -1.553 31.102 32.600 0.093 0.000 1.307 426 M HN 0.372 nan 8.290 nan 0.000 0.409 427 G N 0.349 109.231 108.800 0.137 0.000 2.442 427 G HA2 -0.229 3.745 3.960 0.023 0.000 0.219 427 G HA3 -0.229 3.745 3.960 0.023 0.000 0.219 427 G C 1.408 176.388 174.900 0.133 0.000 1.141 427 G CA 0.881 46.112 45.100 0.219 0.000 0.763 427 G HN 0.436 nan 8.290 nan 0.000 0.554 428 M N 0.535 120.097 119.600 -0.064 0.000 2.358 428 M HA -0.046 4.447 4.480 0.023 0.000 0.264 428 M C 2.526 178.788 176.300 -0.063 0.000 1.064 428 M CA 0.746 55.910 55.300 -0.227 0.000 1.093 428 M CB -0.886 31.279 32.600 -0.725 0.000 1.401 428 M HN 0.213 nan 8.290 nan 0.000 0.440 429 Q N -0.459 119.309 119.800 -0.053 0.000 2.135 429 Q HA -0.159 4.194 4.340 0.023 0.000 0.204 429 Q C 1.877 177.740 176.000 -0.227 0.000 0.981 429 Q CA 1.719 57.431 55.803 -0.151 0.000 0.856 429 Q CB -0.857 27.709 28.738 -0.287 0.000 0.902 429 Q HN 0.615 nan 8.270 nan 0.000 0.425 430 Y N -0.039 120.282 120.300 0.036 0.000 2.509 430 Y HA -0.064 4.499 4.550 0.023 0.000 0.293 430 Y C 2.133 178.042 175.900 0.016 0.000 1.133 430 Y CA 0.473 58.590 58.100 0.029 0.000 1.283 430 Y CB 0.012 38.489 38.460 0.029 0.000 1.001 430 Y HN 0.020 nan 8.280 nan 0.000 0.555 431 L N -0.997 120.292 121.223 0.111 0.000 2.269 431 L HA 0.177 4.530 4.340 0.023 0.000 0.200 431 L C 0.212 177.113 176.870 0.052 0.000 1.069 431 L CA 0.628 55.501 54.840 0.055 0.000 0.804 431 L CB 0.237 42.287 42.059 -0.016 0.000 0.987 431 L HN -0.010 nan 8.230 nan 0.000 0.468 432 I N 0.886 121.494 120.570 0.062 0.000 2.517 432 I HA 0.263 4.447 4.170 0.023 0.000 0.280 432 I C -2.503 173.698 176.117 0.140 0.000 1.061 432 I CA -1.856 59.520 61.300 0.126 0.000 1.091 432 I CB 1.936 40.074 38.000 0.230 0.000 1.205 432 I HN -0.242 nan 8.210 nan 0.000 0.459 433 P HA 0.069 nan 4.420 nan 0.000 0.262 433 P C 0.925 178.273 177.300 0.080 0.000 1.199 433 P CA 0.766 63.898 63.100 0.053 0.000 0.763 433 P CB 0.534 32.252 31.700 0.030 0.000 0.790 434 G N 2.033 110.880 108.800 0.079 0.000 2.136 434 G HA2 -0.252 3.722 3.960 0.023 0.000 0.242 434 G HA3 -0.252 3.722 3.960 0.023 0.000 0.242 434 G C -0.100 174.871 174.900 0.118 0.000 0.989 434 G CA -0.498 44.647 45.100 0.074 0.000 0.682 434 G HN 0.531 nan 8.290 nan 0.000 0.522 435 W N 1.950 123.252 121.300 0.003 0.000 2.231 435 W HA 0.445 5.118 4.660 0.022 0.000 0.341 435 W C 0.932 177.478 176.519 0.045 0.000 1.298 435 W CA 1.280 58.641 57.345 0.026 0.000 1.266 435 W CB 0.633 30.116 29.460 0.038 0.000 1.172 435 W HN 0.709 nan 8.180 nan 0.000 0.568 436 T N 4.092 118.074 114.554 -0.953 0.000 2.912 436 T HA 0.356 4.720 4.350 0.023 0.000 0.299 436 T C -0.781 173.049 174.700 -1.452 0.000 1.052 436 T CA -1.011 60.555 62.100 -0.890 0.000 0.996 436 T CB 0.786 69.444 68.868 -0.351 0.000 1.070 436 T HN 0.454 nan 8.240 nan 0.000 0.465 437 F N 2.540 121.828 119.950 -1.105 0.000 2.629 437 F HA 0.334 4.874 4.527 0.022 0.000 0.377 437 F C 0.244 175.815 175.800 -0.382 0.000 1.101 437 F CA 0.628 58.244 58.000 -0.640 0.000 1.301 437 F CB 0.423 39.346 39.000 -0.128 0.000 1.062 437 F HN 0.729 nan 8.300 nan 0.000 0.583 438 D N 5.381 125.111 120.400 -1.117 0.000 2.386 438 D HA 0.064 4.718 4.640 0.023 0.000 0.247 438 D C 0.357 176.063 176.300 -0.990 0.000 1.336 438 D CA -0.495 52.992 54.000 -0.855 0.000 0.976 438 D CB 0.450 40.991 40.800 -0.433 0.000 1.257 438 D HN 0.762 nan 8.370 nan 0.000 0.570 439 N N 2.205 120.278 118.700 -1.046 0.000 2.588 439 N HA -0.150 4.604 4.740 0.023 0.000 0.190 439 N C 0.508 175.895 175.510 -0.206 0.000 1.094 439 N CA 0.517 53.260 53.050 -0.512 0.000 0.921 439 N CB 0.302 38.724 38.487 -0.108 0.000 0.959 439 N HN 0.003 nan 8.380 nan 0.000 0.448 440 K N 0.207 120.491 120.400 -0.194 0.000 2.564 440 K HA 0.214 4.548 4.320 0.023 0.000 0.205 440 K C -0.630 175.954 176.600 -0.026 0.000 1.053 440 K CA -0.116 56.131 56.287 -0.068 0.000 1.072 440 K CB 0.782 33.258 32.500 -0.039 0.000 0.822 440 K HN 0.237 nan 8.250 nan 0.000 0.497 441 R N 1.601 122.069 120.500 -0.054 0.000 2.512 441 R HA 0.247 4.600 4.340 0.023 0.000 0.291 441 R C -2.924 173.420 176.300 0.073 0.000 1.097 441 R CA -1.529 54.579 56.100 0.014 0.000 0.940 441 R CB 1.674 31.957 30.300 -0.029 0.000 1.198 441 R HN -0.189 nan 8.270 nan 0.000 0.429 442 P HA -0.085 nan 4.420 nan 0.000 0.261 442 P C 1.269 178.693 177.300 0.206 0.000 1.173 442 P CA -0.114 63.089 63.100 0.172 0.000 0.760 442 P CB 0.321 32.126 31.700 0.176 0.000 0.783 443 C N 3.612 123.076 119.300 0.273 0.000 2.385 443 C HA -0.212 4.261 4.460 0.023 0.000 0.275 443 C C 2.039 177.213 174.990 0.306 0.000 1.199 443 C CA 1.177 60.428 59.018 0.389 0.000 1.782 443 C CB -1.723 26.163 27.740 0.243 0.000 2.068 443 C HN 0.423 nan 8.230 nan 0.000 0.471 444 M N 0.946 120.628 119.600 0.136 0.000 2.556 444 M HA 0.243 4.737 4.480 0.023 0.000 0.245 444 M C 0.615 176.981 176.300 0.109 0.000 1.128 444 M CA 0.378 55.728 55.300 0.083 0.000 1.069 444 M CB -0.726 31.871 32.600 -0.005 0.000 1.469 444 M HN 0.272 nan 8.290 nan 0.000 0.494 445 V N 3.249 123.241 119.914 0.129 0.000 2.339 445 V HA 0.309 4.442 4.120 0.023 0.000 0.261 445 V C 0.359 176.516 176.094 0.104 0.000 1.058 445 V CA -0.219 62.138 62.300 0.094 0.000 0.897 445 V CB 0.030 31.898 31.823 0.075 0.000 1.052 445 V HN 0.293 nan 8.190 nan 0.000 0.480 446 R N 0.000 120.554 120.500 0.090 0.000 2.786 446 R HA 0.000 4.354 4.340 0.023 0.000 0.208 446 R CA 0.000 56.145 56.100 0.075 0.000 0.921 446 R CB 0.000 30.378 30.300 0.129 0.000 0.687 446 R HN 0.000 nan 8.270 nan 0.000 0.535