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 1q3g_1_E DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.044 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.628 32.600 0.046 0.000 1.302 2 D N 3.789 124.216 120.400 0.045 0.000 2.419 2 D HA 0.390 5.030 4.640 0.000 0.000 0.236 2 D C -0.355 175.953 176.300 0.013 0.000 1.165 2 D CA 0.882 54.905 54.000 0.038 0.000 0.882 2 D CB 0.721 41.539 40.800 0.031 0.000 1.201 2 D HN 0.529 nan 8.370 nan 0.000 0.443 3 K N 0.487 120.911 120.400 0.041 0.000 2.495 3 K HA 0.472 4.792 4.320 0.000 0.000 0.268 3 K C -0.922 175.810 176.600 0.220 0.000 1.008 3 K CA -0.773 55.539 56.287 0.041 0.000 0.882 3 K CB 1.948 34.485 32.500 0.063 0.000 1.443 3 K HN 0.292 nan 8.250 nan 0.000 0.447 4 F N 1.240 121.191 119.950 0.001 0.000 2.467 4 F HA 0.409 4.936 4.527 -0.000 0.000 0.336 4 F C 0.163 175.959 175.800 -0.006 0.000 1.123 4 F CA -1.032 56.966 58.000 -0.004 0.000 0.964 4 F CB 1.978 40.967 39.000 -0.017 0.000 1.136 4 F HN 0.244 nan 8.300 nan 0.000 0.447 5 R N 3.858 124.444 120.500 0.144 0.000 2.229 5 R HA 0.589 4.929 4.340 0.000 0.000 0.332 5 R C -1.795 174.509 176.300 0.006 0.000 0.989 5 R CA -0.368 55.769 56.100 0.063 0.000 0.842 5 R CB 1.293 31.617 30.300 0.040 0.000 1.119 5 R HN 0.470 nan 8.270 nan 0.000 0.456 6 V N 4.511 124.432 119.914 0.012 0.000 2.495 6 V HA 0.340 4.460 4.120 0.000 0.000 0.298 6 V C -0.453 175.633 176.094 -0.013 0.000 1.031 6 V CA -0.806 61.483 62.300 -0.018 0.000 0.871 6 V CB 1.829 33.647 31.823 -0.008 0.000 0.988 6 V HN 0.767 nan 8.190 nan 0.000 0.432 7 Q N 1.683 121.469 119.800 -0.022 0.000 2.331 7 Q HA 0.717 5.057 4.340 0.000 0.000 0.267 7 Q C 0.045 176.035 176.000 -0.017 0.000 1.006 7 Q CA -0.200 55.594 55.803 -0.016 0.000 0.818 7 Q CB 2.260 30.988 28.738 -0.016 0.000 1.276 7 Q HN 1.008 nan 8.270 nan 0.000 0.450 8 G N 2.281 111.074 108.800 -0.013 0.000 3.015 8 G HA2 0.694 4.654 3.960 0.000 0.000 0.281 8 G HA3 0.694 4.654 3.960 0.000 0.000 0.281 8 G C -2.867 172.027 174.900 -0.010 0.000 1.386 8 G CA -1.279 43.813 45.100 -0.013 0.000 0.959 8 G HN 0.411 nan 8.290 nan 0.000 0.522 9 P HA 0.367 nan 4.420 nan 0.000 0.281 9 P C -0.738 176.556 177.300 -0.010 0.000 1.249 9 P CA -0.065 63.029 63.100 -0.010 0.000 0.810 9 P CB 1.593 33.287 31.700 -0.009 0.000 1.008 10 T N -0.922 113.625 114.554 -0.011 0.000 2.991 10 T HA 0.365 4.715 4.350 0.000 0.000 0.303 10 T C -0.312 174.384 174.700 -0.008 0.000 1.015 10 T CA -1.029 61.065 62.100 -0.010 0.000 1.007 10 T CB 1.241 70.101 68.868 -0.013 0.000 1.034 10 T HN 0.432 nan 8.240 nan 0.000 0.446 11 R N 3.559 124.055 120.500 -0.006 0.000 2.370 11 R HA 0.387 4.727 4.340 0.000 0.000 0.309 11 R C -0.519 175.780 176.300 -0.002 0.000 1.059 11 R CA -0.536 55.562 56.100 -0.004 0.000 0.981 11 R CB 0.105 30.403 30.300 -0.004 0.000 0.972 11 R HN 0.700 nan 8.270 nan 0.000 0.437 12 L N 6.337 127.562 121.223 0.004 0.000 2.281 12 L HA 0.249 4.589 4.340 0.000 0.000 0.285 12 L C 0.011 176.888 176.870 0.012 0.000 1.074 12 L CA -0.061 54.788 54.840 0.016 0.000 0.817 12 L CB 0.918 43.000 42.059 0.038 0.000 1.168 12 L HN 0.752 nan 8.230 nan 0.000 0.434 13 Q N 3.075 122.877 119.800 0.003 0.000 2.472 13 Q HA 0.782 5.122 4.340 0.000 0.000 0.281 13 Q C -0.493 175.495 176.000 -0.020 0.000 0.997 13 Q CA -0.420 55.379 55.803 -0.008 0.000 0.828 13 Q CB 2.801 31.531 28.738 -0.014 0.000 1.443 13 Q HN 0.673 nan 8.270 nan 0.000 0.390 14 G N 1.214 109.996 108.800 -0.029 0.000 2.233 14 G HA2 0.024 3.984 3.960 0.000 0.000 0.162 14 G HA3 0.024 3.984 3.960 0.000 0.000 0.162 14 G C -1.497 173.368 174.900 -0.058 0.000 1.327 14 G CA -0.343 44.731 45.100 -0.044 0.000 1.187 14 G HN 0.675 nan 8.290 nan 0.000 0.479 15 E N -1.461 118.692 120.200 -0.078 0.000 2.369 15 E HA 0.654 5.004 4.350 0.000 0.000 0.270 15 E C -1.524 174.986 176.600 -0.151 0.000 0.909 15 E CA -0.766 55.577 56.400 -0.095 0.000 0.775 15 E CB 3.212 32.861 29.700 -0.084 0.000 1.270 15 E HN 0.920 nan 8.360 nan 0.000 0.445 16 V N 0.897 120.703 119.914 -0.181 0.000 3.048 16 V HA 0.434 4.554 4.120 0.000 0.000 0.303 16 V C -1.523 174.465 176.094 -0.178 0.000 1.214 16 V CA -0.263 61.865 62.300 -0.286 0.000 0.984 16 V CB 2.496 33.919 31.823 -0.667 0.000 1.054 16 V HN 0.707 nan 8.190 nan 0.000 0.430 17 T N 7.420 121.889 114.554 -0.142 0.000 2.756 17 T HA 0.531 4.881 4.350 0.000 0.000 0.290 17 T C -0.169 174.511 174.700 -0.033 0.000 0.985 17 T CA -0.270 61.794 62.100 -0.060 0.000 0.955 17 T CB 0.631 69.476 68.868 -0.037 0.000 0.930 17 T HN 0.487 nan 8.240 nan 0.000 0.451 18 I N 3.216 123.791 120.570 0.009 0.000 2.648 18 I HA 0.130 4.300 4.170 0.000 0.000 0.284 18 I C 1.175 177.316 176.117 0.040 0.000 1.153 18 I CA 0.154 61.486 61.300 0.054 0.000 1.426 18 I CB 0.290 38.333 38.000 0.073 0.000 1.381 18 I HN 0.566 nan 8.210 nan 0.000 0.571 19 S N 4.002 119.735 115.700 0.054 0.000 2.681 19 S HA 0.507 4.977 4.470 0.000 0.000 0.270 19 S C 0.652 175.256 174.600 0.008 0.000 1.209 19 S CA -0.578 57.639 58.200 0.029 0.000 0.988 19 S CB 1.196 64.421 63.200 0.041 0.000 1.006 19 S HN 0.850 nan 8.310 nan 0.000 0.558 20 G N 0.111 108.905 108.800 -0.010 0.000 2.554 20 G HA2 0.437 4.397 3.960 0.000 0.000 0.238 20 G HA3 0.437 4.397 3.960 0.000 0.000 0.238 20 G C -0.079 174.806 174.900 -0.025 0.000 1.259 20 G CA -0.339 44.746 45.100 -0.024 0.000 0.843 20 G HN 0.892 nan 8.290 nan 0.000 0.582 21 A N 1.281 124.085 122.820 -0.027 0.000 2.491 21 A HA 0.272 4.592 4.320 0.000 0.000 0.261 21 A C 1.626 179.193 177.584 -0.029 0.000 1.101 21 A CA 0.272 52.290 52.037 -0.031 0.000 0.772 21 A CB 0.299 19.282 19.000 -0.028 0.000 1.043 21 A HN 0.921 nan 8.150 nan 0.000 0.501 22 K N 2.573 122.951 120.400 -0.036 0.000 2.032 22 K HA -0.180 4.140 4.320 0.000 0.000 0.209 22 K C 0.509 177.128 176.600 0.032 0.000 1.048 22 K CA 1.986 58.264 56.287 -0.014 0.000 0.927 22 K CB -0.129 32.346 32.500 -0.041 0.000 0.712 22 K HN 0.712 nan 8.250 nan 0.000 0.441 23 N N 0.070 118.791 118.700 0.035 0.000 2.501 23 N HA 0.014 4.754 4.740 0.000 0.000 0.195 23 N C 0.520 176.057 175.510 0.045 0.000 1.213 23 N CA 0.735 53.841 53.050 0.093 0.000 0.864 23 N CB 0.833 39.378 38.487 0.096 0.000 0.999 23 N HN 0.376 nan 8.380 nan 0.000 0.454 24 A N -0.114 122.703 122.820 -0.005 0.000 1.997 24 A HA 0.458 4.778 4.320 0.000 0.000 0.198 24 A C 2.103 179.634 177.584 -0.088 0.000 1.449 24 A CA 0.654 52.658 52.037 -0.054 0.000 0.908 24 A CB -0.413 18.567 19.000 -0.033 0.000 0.984 24 A HN 0.174 nan 8.150 nan 0.000 0.487 25 A N 0.430 123.214 122.820 -0.059 0.000 1.902 25 A HA -0.036 4.284 4.320 0.000 0.000 0.217 25 A C 2.117 179.662 177.584 -0.064 0.000 1.181 25 A CA 1.553 53.537 52.037 -0.088 0.000 0.623 25 A CB -0.717 18.246 19.000 -0.061 0.000 0.818 25 A HN 0.443 nan 8.150 nan 0.000 0.443 26 L N -0.059 121.194 121.223 0.050 0.000 1.976 26 L HA -0.122 4.218 4.340 0.000 0.000 0.209 26 L C -0.178 176.820 176.870 0.212 0.000 1.071 26 L CA 1.881 56.855 54.840 0.223 0.000 0.746 26 L CB -1.445 40.882 42.059 0.447 0.000 0.890 26 L HN 0.308 nan 8.230 nan 0.000 0.432 27 P HA -0.167 nan 4.420 nan 0.000 0.218 27 P C 1.797 178.937 177.300 -0.266 0.000 1.149 27 P CA 1.608 64.358 63.100 -0.583 0.000 0.817 27 P CB 0.047 31.131 31.700 -1.027 0.000 0.785 28 I N -0.734 119.674 120.570 -0.270 0.000 2.353 28 I HA -0.171 3.999 4.170 0.000 0.000 0.248 28 I C 2.618 178.512 176.117 -0.372 0.000 1.119 28 I CA 0.952 61.986 61.300 -0.444 0.000 1.417 28 I CB -0.498 37.078 38.000 -0.707 0.000 1.078 28 I HN -0.148 nan 8.210 nan 0.000 0.421 29 L N -0.405 120.673 121.223 -0.242 0.000 2.083 29 L HA -0.208 4.132 4.340 0.000 0.000 0.209 29 L C 2.400 179.176 176.870 -0.158 0.000 1.083 29 L CA 1.560 56.267 54.840 -0.222 0.000 0.752 29 L CB -0.469 41.432 42.059 -0.263 0.000 0.899 29 L HN 0.149 nan 8.230 nan 0.000 0.433 30 F N -0.452 119.501 119.950 0.005 0.000 2.259 30 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 30 F C 2.561 178.409 175.800 0.081 0.000 1.088 30 F CA 0.883 58.930 58.000 0.079 0.000 1.358 30 F CB -0.462 38.628 39.000 0.151 0.000 1.040 30 F HN -0.010 nan 8.300 nan 0.000 0.505 31 A N 0.120 123.070 122.820 0.217 0.000 2.019 31 A HA -0.093 4.227 4.320 0.000 0.000 0.219 31 A C 2.341 180.101 177.584 0.294 0.000 1.164 31 A CA 1.452 53.626 52.037 0.229 0.000 0.644 31 A CB -1.138 18.021 19.000 0.265 0.000 0.805 31 A HN 0.298 nan 8.150 nan 0.000 0.449 32 A N -0.266 122.734 122.820 0.300 0.000 2.070 32 A HA -0.025 4.295 4.320 0.000 0.000 0.220 32 A C 1.958 179.657 177.584 0.192 0.000 1.159 32 A CA 1.239 53.446 52.037 0.283 0.000 0.656 32 A CB -0.581 18.531 19.000 0.186 0.000 0.800 32 A HN 0.501 nan 8.150 nan 0.000 0.453 33 L N -0.778 120.563 121.223 0.197 0.000 2.349 33 L HA -0.151 4.189 4.340 0.000 0.000 0.220 33 L C 2.050 179.059 176.870 0.231 0.000 1.130 33 L CA 0.655 55.634 54.840 0.232 0.000 0.791 33 L CB -0.321 41.909 42.059 0.285 0.000 0.918 33 L HN 0.430 nan 8.230 nan 0.000 0.444 34 L N -0.681 120.635 121.223 0.155 0.000 2.341 34 L HA 0.106 4.446 4.340 0.000 0.000 0.214 34 L C 1.372 178.257 176.870 0.025 0.000 1.115 34 L CA -0.333 54.547 54.840 0.067 0.000 0.820 34 L CB -0.325 41.749 42.059 0.026 0.000 0.944 34 L HN 0.112 nan 8.230 nan 0.000 0.452 35 A N 0.488 123.340 122.820 0.054 0.000 2.454 35 A HA 0.104 4.424 4.320 0.000 0.000 0.260 35 A C 0.952 178.567 177.584 0.051 0.000 1.106 35 A CA -0.194 51.860 52.037 0.028 0.000 0.780 35 A CB 0.159 19.189 19.000 0.050 0.000 1.044 35 A HN 0.308 nan 8.150 nan 0.000 0.498 36 E N 1.408 121.621 120.200 0.021 0.000 2.478 36 E HA 0.012 4.362 4.350 0.000 0.000 0.194 36 E C -0.030 176.598 176.600 0.045 0.000 1.045 36 E CA 0.517 56.938 56.400 0.034 0.000 0.868 36 E CB 0.390 30.093 29.700 0.005 0.000 0.885 36 E HN 0.842 nan 8.360 nan 0.000 0.505 37 E N 0.331 120.556 120.200 0.043 0.000 2.393 37 E HA 0.321 4.671 4.350 0.000 0.000 0.265 37 E C -2.711 173.933 176.600 0.073 0.000 0.941 37 E CA -2.494 53.937 56.400 0.051 0.000 0.801 37 E CB 1.520 31.242 29.700 0.036 0.000 1.313 37 E HN -0.179 nan 8.360 nan 0.000 0.435 38 P HA 0.016 nan 4.420 nan 0.000 0.265 38 P C -1.149 176.229 177.300 0.129 0.000 1.193 38 P CA 0.225 63.395 63.100 0.117 0.000 0.765 38 P CB 0.485 32.257 31.700 0.120 0.000 0.823 39 V N 2.902 122.907 119.914 0.152 0.000 2.823 39 V HA 0.422 4.542 4.120 0.000 0.000 0.312 39 V C -0.195 175.967 176.094 0.114 0.000 1.072 39 V CA -0.523 61.870 62.300 0.155 0.000 0.937 39 V CB 2.245 34.191 31.823 0.205 0.000 1.013 39 V HN 0.486 nan 8.190 nan 0.000 0.430 40 E N 3.330 123.556 120.200 0.042 0.000 2.244 40 E HA 0.526 4.876 4.350 0.000 0.000 0.260 40 E C -1.669 174.819 176.600 -0.187 0.000 0.884 40 E CA -0.527 55.739 56.400 -0.224 0.000 0.777 40 E CB 1.626 31.184 29.700 -0.236 0.000 1.197 40 E HN 0.625 nan 8.360 nan 0.000 0.416 41 I N 4.537 124.933 120.570 -0.291 0.000 2.328 41 I HA 0.188 4.358 4.170 0.000 0.000 0.287 41 I C 0.223 176.167 176.117 -0.289 0.000 1.012 41 I CA -0.507 60.664 61.300 -0.216 0.000 1.195 41 I CB 1.409 39.262 38.000 -0.245 0.000 1.350 41 I HN 0.382 nan 8.210 nan 0.000 0.464 42 Q N 4.011 123.682 119.800 -0.216 0.000 2.212 42 Q HA 0.288 4.628 4.340 0.000 0.000 0.238 42 Q C 0.375 176.282 176.000 -0.156 0.000 0.955 42 Q CA -0.706 54.968 55.803 -0.214 0.000 0.906 42 Q CB 0.730 29.365 28.738 -0.171 0.000 1.215 42 Q HN 0.584 nan 8.270 nan 0.000 0.478 43 N N -0.693 117.930 118.700 -0.129 0.000 2.754 43 N HA -0.166 4.574 4.740 0.000 0.000 0.248 43 N C -1.609 173.853 175.510 -0.080 0.000 1.093 43 N CA 0.267 53.265 53.050 -0.088 0.000 0.699 43 N CB -0.932 37.506 38.487 -0.081 0.000 1.016 43 N HN 0.334 nan 8.380 nan 0.000 0.552 44 V N 1.710 121.565 119.914 -0.097 0.000 2.455 44 V HA 0.347 4.467 4.120 0.000 0.000 0.273 44 V C -1.385 174.682 176.094 -0.046 0.000 1.045 44 V CA -1.007 61.243 62.300 -0.082 0.000 0.976 44 V CB 1.026 32.784 31.823 -0.110 0.000 0.993 44 V HN 0.205 nan 8.190 nan 0.000 0.475 45 P HA 0.157 nan 4.420 nan 0.000 0.272 45 P C -0.753 176.549 177.300 0.004 0.000 1.223 45 P CA -0.457 62.640 63.100 -0.005 0.000 0.784 45 P CB 0.857 32.555 31.700 -0.004 0.000 0.923 46 K N 2.744 123.157 120.400 0.023 0.000 2.206 46 K HA 0.381 4.701 4.320 0.000 0.000 0.268 46 K C -0.174 176.451 176.600 0.042 0.000 1.111 46 K CA -0.187 56.119 56.287 0.031 0.000 0.955 46 K CB -0.107 32.417 32.500 0.040 0.000 1.406 46 K HN 0.426 nan 8.250 nan 0.000 0.427 47 L N 1.241 122.484 121.223 0.034 0.000 2.333 47 L HA 0.353 4.693 4.340 0.000 0.000 0.263 47 L C 1.398 178.292 176.870 0.039 0.000 1.014 47 L CA -1.060 53.805 54.840 0.043 0.000 0.820 47 L CB 1.366 43.444 42.059 0.032 0.000 1.352 47 L HN 0.292 nan 8.230 nan 0.000 0.421 48 K N 0.735 121.163 120.400 0.047 0.000 2.103 48 K HA -0.172 4.148 4.320 0.000 0.000 0.207 48 K C 1.051 177.672 176.600 0.034 0.000 1.048 48 K CA 1.719 58.029 56.287 0.039 0.000 0.930 48 K CB 0.095 32.623 32.500 0.046 0.000 0.716 48 K HN 0.616 nan 8.250 nan 0.000 0.444 49 D N 0.563 120.988 120.400 0.043 0.000 2.219 49 D HA -0.118 4.522 4.640 0.000 0.000 0.205 49 D C 1.843 178.172 176.300 0.048 0.000 0.970 49 D CA 0.536 54.567 54.000 0.053 0.000 0.851 49 D CB 0.059 40.900 40.800 0.068 0.000 0.943 49 D HN 0.163 nan 8.370 nan 0.000 0.488 50 I N 1.357 121.944 120.570 0.029 0.000 2.353 50 I HA -0.165 4.005 4.170 0.000 0.000 0.248 50 I C 1.675 177.788 176.117 -0.006 0.000 1.119 50 I CA 1.021 62.324 61.300 0.005 0.000 1.417 50 I CB -0.724 37.274 38.000 -0.004 0.000 1.078 50 I HN -0.054 nan 8.210 nan 0.000 0.421 51 D N 0.702 121.106 120.400 0.007 0.000 2.097 51 D HA -0.131 4.509 4.640 0.000 0.000 0.195 51 D C 2.133 178.432 176.300 -0.001 0.000 0.989 51 D CA 1.617 55.619 54.000 0.003 0.000 0.827 51 D CB -0.286 40.520 40.800 0.010 0.000 0.966 51 D HN 0.243 nan 8.370 nan 0.000 0.456 52 T N 0.553 115.112 114.554 0.009 0.000 2.746 52 T HA -0.114 4.236 4.350 0.000 0.000 0.267 52 T C 2.031 176.740 174.700 0.014 0.000 1.039 52 T CA 1.654 63.763 62.100 0.015 0.000 1.142 52 T CB -0.468 68.416 68.868 0.028 0.000 0.866 52 T HN 0.148 nan 8.240 nan 0.000 0.444 53 T N 2.125 116.679 114.554 -0.001 0.000 2.746 53 T HA -0.009 4.341 4.350 0.000 0.000 0.267 53 T C 2.059 176.669 174.700 -0.149 0.000 1.039 53 T CA 1.140 63.179 62.100 -0.102 0.000 1.142 53 T CB -0.348 68.408 68.868 -0.188 0.000 0.866 53 T HN 0.317 nan 8.240 nan 0.000 0.444 54 M N 0.606 120.151 119.600 -0.093 0.000 2.117 54 M HA -0.095 4.385 4.480 0.000 0.000 0.262 54 M C 2.433 178.707 176.300 -0.043 0.000 1.065 54 M CA 1.520 56.778 55.300 -0.070 0.000 1.114 54 M CB -0.313 32.267 32.600 -0.034 0.000 1.361 54 M HN 0.123 nan 8.290 nan 0.000 0.408 55 K N 0.955 121.340 120.400 -0.025 0.000 2.032 55 K HA -0.196 4.124 4.320 0.000 0.000 0.209 55 K C 1.930 178.525 176.600 -0.008 0.000 1.048 55 K CA 1.382 57.662 56.287 -0.011 0.000 0.927 55 K CB -0.269 32.230 32.500 -0.003 0.000 0.712 55 K HN 0.307 nan 8.250 nan 0.000 0.441 56 L N 1.142 122.365 121.223 -0.000 0.000 2.017 56 L HA -0.205 4.135 4.340 0.000 0.000 0.208 56 L C 2.265 179.137 176.870 0.004 0.000 1.073 56 L CA 1.241 56.098 54.840 0.028 0.000 0.745 56 L CB -0.235 41.882 42.059 0.096 0.000 0.894 56 L HN 0.300 nan 8.230 nan 0.000 0.432 57 L N -0.720 120.474 121.223 -0.048 0.000 2.012 57 L HA -0.264 4.076 4.340 0.000 0.000 0.210 57 L C 2.525 179.376 176.870 -0.032 0.000 1.073 57 L CA 1.997 56.806 54.840 -0.052 0.000 0.748 57 L CB -0.962 41.037 42.059 -0.100 0.000 0.891 57 L HN 0.310 nan 8.230 nan 0.000 0.431 58 T N -0.502 114.034 114.554 -0.029 0.000 2.759 58 T HA -0.259 4.091 4.350 0.000 0.000 0.269 58 T C 1.689 176.370 174.700 -0.033 0.000 1.042 58 T CA 1.739 63.825 62.100 -0.023 0.000 1.140 58 T CB -0.255 68.604 68.868 -0.015 0.000 0.864 58 T HN 0.538 nan 8.240 nan 0.000 0.455 59 Q N 0.676 120.460 119.800 -0.028 0.000 2.472 59 Q HA 0.162 4.502 4.340 0.000 0.000 0.208 59 Q C 1.686 177.644 176.000 -0.069 0.000 0.958 59 Q CA 0.811 56.592 55.803 -0.037 0.000 0.932 59 Q CB -0.446 28.283 28.738 -0.015 0.000 1.007 59 Q HN 0.425 nan 8.270 nan 0.000 0.508 60 L N -0.105 121.072 121.223 -0.076 0.000 2.592 60 L HA 0.323 4.663 4.340 0.000 0.000 0.227 60 L C 0.816 177.568 176.870 -0.196 0.000 1.127 60 L CA 0.397 55.150 54.840 -0.146 0.000 0.884 60 L CB 0.141 42.145 42.059 -0.091 0.000 1.065 60 L HN 0.594 nan 8.230 nan 0.000 0.457 61 G N 0.314 109.040 108.800 -0.122 0.000 2.141 61 G HA2 -0.205 3.755 3.960 0.000 0.000 0.195 61 G HA3 -0.205 3.755 3.960 0.000 0.000 0.195 61 G C 0.114 174.981 174.900 -0.055 0.000 1.012 61 G CA -0.046 44.991 45.100 -0.106 0.000 0.696 61 G HN 0.215 nan 8.290 nan 0.000 0.508 62 T N 0.612 115.147 114.554 -0.033 0.000 2.907 62 T HA 0.547 4.897 4.350 0.000 0.000 0.284 62 T C 0.285 174.990 174.700 0.009 0.000 1.004 62 T CA -0.275 61.827 62.100 0.002 0.000 1.063 62 T CB 1.556 70.430 68.868 0.010 0.000 0.992 62 T HN 0.272 nan 8.240 nan 0.000 0.483 63 K N 2.215 122.632 120.400 0.029 0.000 2.264 63 K HA 0.575 4.895 4.320 0.000 0.000 0.277 63 K C -1.022 175.609 176.600 0.052 0.000 1.067 63 K CA -0.496 55.810 56.287 0.033 0.000 0.900 63 K CB 0.947 33.469 32.500 0.037 0.000 1.124 63 K HN 0.263 nan 8.250 nan 0.000 0.469 64 V N 2.733 122.674 119.914 0.045 0.000 2.735 64 V HA 0.483 4.604 4.120 0.000 0.000 0.310 64 V C -0.400 175.742 176.094 0.080 0.000 1.061 64 V CA -0.883 61.455 62.300 0.064 0.000 0.913 64 V CB 2.049 33.887 31.823 0.026 0.000 1.005 64 V HN 0.672 nan 8.190 nan 0.000 0.428 65 E N 2.550 122.835 120.200 0.142 0.000 2.407 65 E HA 0.635 4.985 4.350 0.000 0.000 0.279 65 E C -1.107 175.667 176.600 0.291 0.000 1.012 65 E CA -0.787 55.710 56.400 0.161 0.000 0.800 65 E CB 3.499 33.267 29.700 0.112 0.000 1.276 65 E HN 0.894 nan 8.360 nan 0.000 0.452 66 R N -0.566 120.088 120.500 0.256 0.000 2.810 66 R HA 0.508 4.848 4.340 0.000 0.000 0.266 66 R C -0.235 176.240 176.300 0.292 0.000 1.061 66 R CA -0.566 55.721 56.100 0.311 0.000 0.943 66 R CB 0.477 30.854 30.300 0.127 0.000 1.237 66 R HN 0.370 nan 8.270 nan 0.000 0.459 67 D N 0.140 120.704 120.400 0.274 0.000 2.256 67 D HA 0.100 4.740 4.640 0.000 0.000 0.279 67 D C 1.376 177.741 176.300 0.109 0.000 1.209 67 D CA 0.849 54.971 54.000 0.203 0.000 0.946 67 D CB -0.978 39.955 40.800 0.222 0.000 0.914 67 D HN 0.610 nan 8.370 nan 0.000 0.278 68 G N -1.073 107.771 108.800 0.074 0.000 2.744 68 G HA2 0.189 4.149 3.960 0.000 0.000 0.211 68 G HA3 0.189 4.149 3.960 0.000 0.000 0.211 68 G C 0.434 175.267 174.900 -0.113 0.000 1.146 68 G CA 0.161 45.256 45.100 -0.009 0.000 0.787 68 G HN 0.356 nan 8.290 nan 0.000 0.534 69 S N -1.104 114.451 115.700 -0.242 0.000 2.718 69 S HA 0.657 5.127 4.470 0.000 0.000 0.300 69 S C -0.843 173.422 174.600 -0.558 0.000 1.117 69 S CA -0.489 57.367 58.200 -0.572 0.000 1.002 69 S CB 2.445 64.970 63.200 -1.124 0.000 1.092 69 S HN -0.058 nan 8.310 nan 0.000 0.542 70 V N 1.926 121.516 119.914 -0.539 0.000 2.407 70 V HA 0.345 4.465 4.120 0.000 0.000 0.291 70 V C -1.019 174.900 176.094 -0.293 0.000 1.018 70 V CA -0.612 61.542 62.300 -0.243 0.000 0.842 70 V CB 1.060 32.796 31.823 -0.145 0.000 0.996 70 V HN 0.779 nan 8.190 nan 0.000 0.426 71 W N 5.529 126.830 121.300 0.001 0.000 2.361 71 W HA 0.566 5.226 4.660 0.000 0.000 0.309 71 W C -0.712 175.814 176.519 0.012 0.000 1.122 71 W CA -0.572 56.781 57.345 0.014 0.000 1.208 71 W CB 1.610 31.079 29.460 0.015 0.000 1.246 71 W HN 0.300 nan 8.180 nan 0.000 0.490 72 I N 3.161 123.843 120.570 0.187 0.000 2.509 72 I HA 0.154 4.324 4.170 0.000 0.000 0.293 72 I C -0.538 175.660 176.117 0.135 0.000 1.020 72 I CA -0.594 60.783 61.300 0.128 0.000 1.088 72 I CB 1.879 39.927 38.000 0.079 0.000 1.267 72 I HN 0.282 nan 8.210 nan 0.000 0.430 73 D N 4.729 125.194 120.400 0.109 0.000 2.389 73 D HA 0.520 5.160 4.640 0.000 0.000 0.256 73 D C 0.291 176.644 176.300 0.087 0.000 1.239 73 D CA -0.306 53.753 54.000 0.097 0.000 0.925 73 D CB 1.670 42.520 40.800 0.084 0.000 1.145 73 D HN 0.606 nan 8.370 nan 0.000 0.542 74 A N 2.291 125.173 122.820 0.104 0.000 2.275 74 A HA 0.048 4.368 4.320 0.000 0.000 0.212 74 A C 2.012 179.685 177.584 0.148 0.000 1.201 74 A CA 0.793 52.905 52.037 0.125 0.000 0.843 74 A CB -0.263 18.833 19.000 0.159 0.000 0.873 74 A HN 0.538 nan 8.150 nan 0.000 0.492 75 S N 0.861 116.632 115.700 0.118 0.000 2.409 75 S HA -0.251 4.219 4.470 0.000 0.000 0.237 75 S C 0.946 175.629 174.600 0.137 0.000 1.060 75 S CA 2.030 60.300 58.200 0.117 0.000 1.052 75 S CB -0.555 62.694 63.200 0.081 0.000 0.871 75 S HN 0.534 nan 8.310 nan 0.000 0.465 76 N N 0.621 119.384 118.700 0.105 0.000 2.458 76 N HA 0.366 5.106 4.740 0.000 0.000 0.274 76 N C -1.194 174.339 175.510 0.039 0.000 1.242 76 N CA -0.147 52.953 53.050 0.084 0.000 0.904 76 N CB 1.002 39.516 38.487 0.046 0.000 1.206 76 N HN 0.196 nan 8.380 nan 0.000 0.510 77 V N 2.152 122.103 119.914 0.062 0.000 2.493 77 V HA -0.043 4.077 4.120 0.000 0.000 0.292 77 V C 0.930 176.830 176.094 -0.324 0.000 1.016 77 V CA 0.422 62.641 62.300 -0.136 0.000 1.097 77 V CB 0.387 32.122 31.823 -0.146 0.000 0.947 77 V HN 0.555 nan 8.190 nan 0.000 0.479 78 N N 3.071 121.515 118.700 -0.427 0.000 2.257 78 N HA 0.068 4.808 4.740 0.000 0.000 0.200 78 N C 0.280 175.201 175.510 -0.982 0.000 1.163 78 N CA -0.223 52.526 53.050 -0.503 0.000 0.891 78 N CB 0.024 38.383 38.487 -0.213 0.000 1.067 78 N HN 0.576 nan 8.380 nan 0.000 0.497 79 N N -0.189 117.931 118.700 -0.968 0.000 2.466 79 N HA 0.383 5.123 4.740 0.000 0.000 0.294 79 N C -1.379 173.422 175.510 -1.182 0.000 1.129 79 N CA -0.670 51.838 53.050 -0.903 0.000 0.931 79 N CB 0.744 39.000 38.487 -0.386 0.000 1.193 79 N HN 0.008 nan 8.380 nan 0.000 0.500 80 F N -0.323 119.577 119.950 -0.084 0.000 2.815 80 F HA 0.368 4.895 4.527 0.000 0.000 0.335 80 F C 0.436 176.248 175.800 0.021 0.000 1.179 80 F CA -0.567 57.401 58.000 -0.053 0.000 1.204 80 F CB 0.176 39.142 39.000 -0.056 0.000 1.050 80 F HN 0.271 nan 8.300 nan 0.000 0.510 81 S N 1.187 116.951 115.700 0.108 0.000 2.521 81 S HA 0.843 5.313 4.470 0.000 0.000 0.295 81 S C -0.583 174.107 174.600 0.150 0.000 1.098 81 S CA -0.412 57.876 58.200 0.148 0.000 0.999 81 S CB 1.313 64.575 63.200 0.104 0.000 1.034 81 S HN 0.204 nan 8.310 nan 0.000 0.483 82 A N 6.371 129.310 122.820 0.198 0.000 2.322 82 A HA 0.629 4.949 4.320 0.000 0.000 0.327 82 A C -2.480 175.226 177.584 0.203 0.000 1.394 82 A CA -1.780 50.355 52.037 0.163 0.000 0.921 82 A CB 0.063 19.143 19.000 0.132 0.000 1.153 82 A HN 0.686 nan 8.150 nan 0.000 0.523 83 P HA -0.135 nan 4.420 nan 0.000 0.266 83 P C 0.371 177.762 177.300 0.151 0.000 1.193 83 P CA 0.273 63.528 63.100 0.258 0.000 0.770 83 P CB 0.569 32.375 31.700 0.176 0.000 0.836 84 Y N 3.828 124.155 120.300 0.044 0.000 2.053 84 Y HA -0.297 4.253 4.550 -0.000 0.000 0.277 84 Y C 1.923 177.801 175.900 -0.036 0.000 1.159 84 Y CA 2.666 60.713 58.100 -0.088 0.000 1.125 84 Y CB -0.823 37.598 38.460 -0.064 0.000 0.969 84 Y HN 0.351 nan 8.280 nan 0.000 0.492 85 D N -0.029 120.415 120.400 0.074 0.000 2.384 85 D HA -0.199 4.441 4.640 0.000 0.000 0.222 85 D C 1.964 178.205 176.300 -0.098 0.000 0.976 85 D CA 1.069 55.046 54.000 -0.038 0.000 0.915 85 D CB -0.465 40.397 40.800 0.103 0.000 0.896 85 D HN 0.522 nan 8.370 nan 0.000 0.523 86 L N 0.419 121.593 121.223 -0.080 0.000 2.349 86 L HA -0.012 4.328 4.340 0.000 0.000 0.200 86 L C 2.336 179.148 176.870 -0.097 0.000 1.064 86 L CA 0.242 55.048 54.840 -0.056 0.000 0.821 86 L CB 0.164 42.226 42.059 0.006 0.000 1.027 86 L HN -0.025 nan 8.230 nan 0.000 0.476 87 V N -0.616 119.216 119.914 -0.136 0.000 2.809 87 V HA -0.200 3.920 4.120 0.000 0.000 0.256 87 V C 2.217 178.172 176.094 -0.232 0.000 1.080 87 V CA 1.746 63.951 62.300 -0.158 0.000 1.102 87 V CB -0.860 30.864 31.823 -0.165 0.000 0.705 87 V HN 0.618 nan 8.190 nan 0.000 0.475 88 K N 1.650 121.837 120.400 -0.356 0.000 2.442 88 K HA -0.085 4.235 4.320 0.000 0.000 0.198 88 K C 1.700 178.173 176.600 -0.212 0.000 1.042 88 K CA 1.653 57.714 56.287 -0.377 0.000 0.958 88 K CB -0.645 31.495 32.500 -0.601 0.000 0.766 88 K HN 0.662 nan 8.250 nan 0.000 0.474 89 T N -2.249 112.209 114.554 -0.160 0.000 3.040 89 T HA 0.210 4.560 4.350 0.000 0.000 0.250 89 T C 0.535 175.195 174.700 -0.066 0.000 1.058 89 T CA -0.439 61.601 62.100 -0.100 0.000 0.988 89 T CB 0.061 68.879 68.868 -0.083 0.000 0.993 89 T HN 0.259 nan 8.240 nan 0.000 0.519 90 M N 2.105 121.658 119.600 -0.078 0.000 2.380 90 M HA 0.319 4.799 4.480 0.000 0.000 0.202 90 M C 0.390 176.628 176.300 -0.104 0.000 0.975 90 M CA -0.585 54.681 55.300 -0.057 0.000 0.971 90 M CB 1.219 33.823 32.600 0.007 0.000 2.685 90 M HN 0.151 nan 8.290 nan 0.000 0.431 91 R N 1.820 122.228 120.500 -0.153 0.000 2.193 91 R HA 0.043 4.383 4.340 0.000 0.000 0.229 91 R C 1.258 177.358 176.300 -0.334 0.000 1.110 91 R CA 1.482 57.447 56.100 -0.225 0.000 0.988 91 R CB -0.506 29.660 30.300 -0.223 0.000 0.871 91 R HN 0.633 nan 8.270 nan 0.000 0.458 92 A N 1.915 124.541 122.820 -0.323 0.000 2.131 92 A HA -0.144 4.176 4.320 0.000 0.000 0.220 92 A C 2.098 179.358 177.584 -0.541 0.000 1.158 92 A CA 1.425 53.144 52.037 -0.529 0.000 0.665 92 A CB -0.546 18.314 19.000 -0.234 0.000 0.795 92 A HN 0.578 nan 8.150 nan 0.000 0.460 93 S N -0.533 114.996 115.700 -0.287 0.000 2.595 93 S HA -0.053 4.417 4.470 0.000 0.000 0.235 93 S C 1.436 175.809 174.600 -0.377 0.000 0.974 93 S CA 0.857 58.902 58.200 -0.259 0.000 0.942 93 S CB -0.532 62.715 63.200 0.079 0.000 0.766 93 S HN 0.460 nan 8.310 nan 0.000 0.536 94 I N 0.666 120.963 120.570 -0.454 0.000 2.676 94 I HA 0.083 4.253 4.170 0.000 0.000 0.259 94 I C 1.394 177.342 176.117 -0.282 0.000 1.194 94 I CA 0.383 61.459 61.300 -0.373 0.000 1.473 94 I CB -0.603 37.082 38.000 -0.526 0.000 1.096 94 I HN 0.338 nan 8.210 nan 0.000 0.443 95 W N 0.714 121.694 121.300 -0.533 0.000 2.848 95 W HA 0.080 4.740 4.660 -0.000 0.000 0.241 95 W C 2.267 178.588 176.519 -0.331 0.000 1.289 95 W CA 0.718 57.789 57.345 -0.457 0.000 1.396 95 W CB -1.124 27.974 29.460 -0.602 0.000 1.138 95 W HN 0.315 nan 8.180 nan 0.000 0.677 96 A N -0.485 122.276 122.820 -0.098 0.000 2.021 96 A HA -0.054 4.266 4.320 0.000 0.000 0.216 96 A C 1.945 179.656 177.584 0.211 0.000 1.163 96 A CA 0.688 52.867 52.037 0.237 0.000 0.676 96 A CB -0.587 18.612 19.000 0.332 0.000 0.818 96 A HN 0.122 nan 8.150 nan 0.000 0.453 97 L N 0.401 121.707 121.223 0.139 0.000 1.990 97 L HA -0.103 4.237 4.340 0.000 0.000 0.213 97 L C 2.431 179.396 176.870 0.159 0.000 1.072 97 L CA 2.398 57.323 54.840 0.142 0.000 0.755 97 L CB -1.081 41.038 42.059 0.100 0.000 0.889 97 L HN 0.326 nan 8.230 nan 0.000 0.432 98 G N -0.710 108.192 108.800 0.169 0.000 2.545 98 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 98 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 98 G C -0.603 174.385 174.900 0.146 0.000 1.218 98 G CA 1.052 46.243 45.100 0.150 0.000 0.787 98 G HN 0.383 nan 8.290 nan 0.000 0.571 99 P HA -0.043 nan 4.420 nan 0.000 0.215 99 P C 2.146 179.591 177.300 0.242 0.000 1.153 99 P CA 0.728 63.941 63.100 0.188 0.000 0.853 99 P CB -0.130 31.709 31.700 0.232 0.000 0.788 100 L N -1.157 120.246 121.223 0.300 0.000 2.012 100 L HA -0.166 4.174 4.340 0.000 0.000 0.210 100 L C 2.312 179.355 176.870 0.288 0.000 1.073 100 L CA 1.544 56.624 54.840 0.400 0.000 0.748 100 L CB -1.145 41.120 42.059 0.343 0.000 0.891 100 L HN -0.112 nan 8.230 nan 0.000 0.431 101 V N -0.208 119.805 119.914 0.165 0.000 2.548 101 V HA -0.197 3.923 4.120 0.000 0.000 0.249 101 V C 2.659 178.782 176.094 0.050 0.000 1.055 101 V CA 1.562 63.912 62.300 0.085 0.000 1.065 101 V CB -0.762 31.099 31.823 0.064 0.000 0.681 101 V HN 0.457 nan 8.190 nan 0.000 0.462 102 A N -0.040 122.813 122.820 0.055 0.000 1.969 102 A HA -0.179 4.141 4.320 0.000 0.000 0.218 102 A C 2.421 179.974 177.584 -0.052 0.000 1.169 102 A CA 1.886 53.926 52.037 0.005 0.000 0.635 102 A CB -0.360 18.649 19.000 0.014 0.000 0.810 102 A HN 0.487 nan 8.150 nan 0.000 0.445 103 R N -2.340 118.115 120.500 -0.075 0.000 2.146 103 R HA 0.163 4.503 4.340 0.000 0.000 0.206 103 R C 0.553 176.545 176.300 -0.514 0.000 1.049 103 R CA 0.701 56.606 56.100 -0.324 0.000 1.029 103 R CB 0.043 30.064 30.300 -0.466 0.000 0.949 103 R HN 0.446 nan 8.270 nan 0.000 0.471 104 F N -0.502 119.421 119.950 -0.044 0.000 2.661 104 F HA 0.400 4.927 4.527 0.000 0.000 0.306 104 F C 1.298 176.956 175.800 -0.237 0.000 1.094 104 F CA 0.342 58.245 58.000 -0.161 0.000 1.254 104 F CB 1.372 40.189 39.000 -0.305 0.000 1.040 104 F HN 0.262 nan 8.300 nan 0.000 0.562 105 G N 1.041 109.826 108.800 -0.026 0.000 2.189 105 G HA2 -0.284 3.676 3.960 0.000 0.000 0.267 105 G HA3 -0.284 3.676 3.960 0.000 0.000 0.267 105 G C 0.123 174.981 174.900 -0.069 0.000 0.975 105 G CA 0.686 45.756 45.100 -0.049 0.000 0.644 105 G HN 0.533 nan 8.290 nan 0.000 0.537 106 Q N -1.845 117.892 119.800 -0.106 0.000 2.575 106 Q HA 0.671 5.011 4.340 0.000 0.000 0.290 106 Q C -0.433 175.544 176.000 -0.037 0.000 0.963 106 Q CA -0.516 55.224 55.803 -0.104 0.000 0.783 106 Q CB 1.749 30.371 28.738 -0.194 0.000 1.467 106 Q HN 1.708 nan 8.270 nan 0.000 0.402 107 G N 0.904 109.735 108.800 0.052 0.000 2.429 107 G HA2 0.418 4.378 3.960 0.000 0.000 0.300 107 G HA3 0.418 4.378 3.960 0.000 0.000 0.300 107 G C -2.205 172.781 174.900 0.144 0.000 1.598 107 G CA -0.433 44.757 45.100 0.150 0.000 0.863 107 G HN 0.837 nan 8.290 nan 0.000 0.614 108 Q N -0.516 119.393 119.800 0.182 0.000 2.309 108 Q HA 0.764 5.104 4.340 0.000 0.000 0.273 108 Q C -1.731 174.411 176.000 0.237 0.000 1.040 108 Q CA -1.105 54.818 55.803 0.200 0.000 0.834 108 Q CB 2.832 31.692 28.738 0.203 0.000 1.345 108 Q HN 0.621 nan 8.270 nan 0.000 0.414 109 V N 1.279 121.309 119.914 0.194 0.000 2.789 109 V HA 0.433 4.553 4.120 0.000 0.000 0.311 109 V C -0.244 175.833 176.094 -0.029 0.000 1.073 109 V CA -0.843 61.520 62.300 0.105 0.000 0.921 109 V CB 1.976 33.814 31.823 0.025 0.000 1.009 109 V HN 0.914 nan 8.190 nan 0.000 0.426 110 S N 3.954 119.518 115.700 -0.228 0.000 2.525 110 S HA 0.230 4.700 4.470 0.000 0.000 0.285 110 S C -0.081 174.375 174.600 -0.240 0.000 1.283 110 S CA -0.381 57.509 58.200 -0.516 0.000 1.072 110 S CB 0.005 62.928 63.200 -0.461 0.000 0.867 110 S HN 0.652 nan 8.310 nan 0.000 0.492 111 L N 8.087 129.198 121.223 -0.185 0.000 2.562 111 L HA 0.231 4.571 4.340 0.000 0.000 0.271 111 L C -1.651 175.158 176.870 -0.101 0.000 1.167 111 L CA -1.462 53.313 54.840 -0.108 0.000 0.917 111 L CB 0.471 42.494 42.059 -0.059 0.000 1.187 111 L HN 0.601 nan 8.230 nan 0.000 0.482 112 P HA 0.088 nan 4.420 nan 0.000 0.268 112 P C -0.016 177.236 177.300 -0.080 0.000 1.205 112 P CA -0.222 62.800 63.100 -0.129 0.000 0.771 112 P CB 0.982 32.581 31.700 -0.168 0.000 0.858 113 G N 1.740 110.503 108.800 -0.061 0.000 2.531 113 G HA2 0.477 4.437 3.960 0.000 0.000 0.253 113 G HA3 0.477 4.437 3.960 0.000 0.000 0.253 113 G C 0.227 175.105 174.900 -0.037 0.000 1.439 113 G CA -0.403 44.681 45.100 -0.026 0.000 1.056 113 G HN 0.627 nan 8.290 nan 0.000 0.555 114 G N -2.098 106.690 108.800 -0.021 0.000 2.606 114 G HA2 0.407 4.367 3.960 0.000 0.000 0.252 114 G HA3 0.407 4.367 3.960 0.000 0.000 0.252 114 G C -0.393 174.488 174.900 -0.033 0.000 1.206 114 G CA 0.085 45.173 45.100 -0.021 0.000 0.861 114 G HN 0.708 nan 8.290 nan 0.000 0.561 115 C N 0.170 119.448 119.300 -0.037 0.000 2.630 115 C HA 0.710 5.170 4.460 0.000 0.000 0.346 115 C C 1.963 176.923 174.990 -0.049 0.000 1.245 115 C CA 0.251 59.236 59.018 -0.055 0.000 1.804 115 C CB 1.210 28.894 27.740 -0.094 0.000 2.279 115 C HN 1.030 nan 8.230 nan 0.000 0.498 116 A N 1.754 124.541 122.820 -0.056 0.000 1.877 116 A HA -0.086 4.234 4.320 0.000 0.000 0.216 116 A C 1.697 179.239 177.584 -0.070 0.000 1.186 116 A CA 2.151 54.157 52.037 -0.051 0.000 0.620 116 A CB -0.711 18.256 19.000 -0.055 0.000 0.822 116 A HN 1.084 nan 8.150 nan 0.000 0.443 117 I N -4.215 116.276 120.570 -0.131 0.000 3.564 117 I HA 0.465 4.635 4.170 0.000 0.000 0.294 117 I C 0.730 176.815 176.117 -0.053 0.000 1.289 117 I CA 0.447 61.660 61.300 -0.144 0.000 1.325 117 I CB -0.352 37.455 38.000 -0.322 0.000 1.039 117 I HN 0.290 nan 8.210 nan 0.000 0.474 118 G N -0.089 108.699 108.800 -0.019 0.000 2.340 118 G HA2 0.413 4.373 3.960 0.000 0.000 0.298 118 G HA3 0.413 4.373 3.960 0.000 0.000 0.298 118 G C 0.056 174.984 174.900 0.046 0.000 1.498 118 G CA -0.278 44.866 45.100 0.074 0.000 0.847 118 G HN 0.030 nan 8.290 nan 0.000 0.594 119 A N 0.067 122.915 122.820 0.047 0.000 1.972 119 A HA 0.215 4.535 4.320 0.000 0.000 0.219 119 A C 1.586 179.185 177.584 0.026 0.000 1.169 119 A CA 1.733 53.784 52.037 0.023 0.000 0.635 119 A CB -0.538 18.471 19.000 0.016 0.000 0.810 119 A HN 1.419 nan 8.150 nan 0.000 0.446 120 R N -1.085 119.458 120.500 0.071 0.000 3.127 120 R HA -0.126 4.214 4.340 0.000 0.000 0.247 120 R C -2.269 174.041 176.300 0.017 0.000 0.896 120 R CA 0.408 56.556 56.100 0.080 0.000 0.624 120 R CB -1.993 28.352 30.300 0.076 0.000 1.154 120 R HN 0.554 nan 8.270 nan 0.000 0.474 121 P HA -0.004 nan 4.420 nan 0.000 0.271 121 P C 0.201 177.504 177.300 0.004 0.000 1.244 121 P CA -0.162 62.938 63.100 -0.000 0.000 0.793 121 P CB 0.942 32.646 31.700 0.007 0.000 0.984 122 V N 0.830 120.740 119.914 -0.006 0.000 3.078 122 V HA -0.007 4.113 4.120 0.000 0.000 0.344 122 V C 1.622 177.788 176.094 0.120 0.000 1.409 122 V CA 0.135 62.438 62.300 0.005 0.000 1.146 122 V CB -0.522 31.173 31.823 -0.213 0.000 1.126 122 V HN 0.612 nan 8.190 nan 0.000 0.513 123 D N 0.396 120.853 120.400 0.096 0.000 2.133 123 D HA -0.271 4.369 4.640 0.000 0.000 0.195 123 D C 1.806 178.205 176.300 0.166 0.000 0.997 123 D CA 1.548 55.611 54.000 0.105 0.000 0.840 123 D CB -0.124 40.705 40.800 0.050 0.000 0.947 123 D HN 0.507 nan 8.370 nan 0.000 0.452 124 L N 0.059 121.372 121.223 0.150 0.000 2.131 124 L HA -0.149 4.191 4.340 0.000 0.000 0.210 124 L C 2.856 179.851 176.870 0.209 0.000 1.092 124 L CA 1.041 55.972 54.840 0.152 0.000 0.759 124 L CB -0.693 41.392 42.059 0.043 0.000 0.903 124 L HN 0.147 nan 8.230 nan 0.000 0.435 125 H N 0.047 119.187 119.070 0.117 0.000 2.293 125 H HA -0.144 4.412 4.556 0.000 0.000 0.300 125 H C 2.463 177.856 175.328 0.108 0.000 1.082 125 H CA 1.920 58.033 56.048 0.108 0.000 1.308 125 H CB 0.008 29.808 29.762 0.062 0.000 1.375 125 H HN 0.322 nan 8.280 nan 0.000 0.495 126 I N 0.359 121.076 120.570 0.245 0.000 2.179 126 I HA -0.291 3.879 4.170 0.000 0.000 0.242 126 I C 2.574 178.779 176.117 0.148 0.000 1.088 126 I CA 1.162 62.557 61.300 0.159 0.000 1.357 126 I CB -0.388 37.690 38.000 0.130 0.000 1.051 126 I HN 0.083 nan 8.210 nan 0.000 0.409 127 F N 1.912 121.892 119.950 0.050 0.000 2.120 127 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 127 F C 2.248 178.062 175.800 0.024 0.000 1.095 127 F CA 1.803 59.820 58.000 0.028 0.000 1.249 127 F CB -0.806 38.205 39.000 0.018 0.000 0.995 127 F HN -0.008 nan 8.300 nan 0.000 0.480 128 G N 0.855 109.667 108.800 0.020 0.000 2.421 128 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 128 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 128 G C 1.766 176.593 174.900 -0.122 0.000 1.171 128 G CA 1.036 46.078 45.100 -0.098 0.000 0.775 128 G HN 0.445 nan 8.290 nan 0.000 0.543 129 L N 0.096 121.301 121.223 -0.031 0.000 2.046 129 L HA -0.077 4.263 4.340 0.000 0.000 0.208 129 L C 2.889 179.719 176.870 -0.066 0.000 1.077 129 L CA 1.282 56.111 54.840 -0.020 0.000 0.747 129 L CB -0.468 41.612 42.059 0.035 0.000 0.896 129 L HN 0.304 nan 8.230 nan 0.000 0.432 130 E N -0.008 120.135 120.200 -0.096 0.000 2.085 130 E HA -0.210 4.140 4.350 0.000 0.000 0.194 130 E C 2.126 178.624 176.600 -0.170 0.000 0.994 130 E CA 0.919 57.252 56.400 -0.112 0.000 0.801 130 E CB 0.065 29.705 29.700 -0.100 0.000 0.743 130 E HN 0.305 nan 8.360 nan 0.000 0.453 131 K N 0.384 120.605 120.400 -0.299 0.000 2.280 131 K HA -0.080 4.240 4.320 0.000 0.000 0.202 131 K C 1.865 178.374 176.600 -0.151 0.000 1.047 131 K CA 0.669 56.784 56.287 -0.287 0.000 0.942 131 K CB -0.005 32.223 32.500 -0.453 0.000 0.739 131 K HN 0.245 nan 8.250 nan 0.000 0.457 132 L N -0.395 120.758 121.223 -0.117 0.000 2.591 132 L HA 0.062 4.402 4.340 0.000 0.000 0.228 132 L C 1.163 178.002 176.870 -0.051 0.000 1.133 132 L CA 0.450 55.250 54.840 -0.067 0.000 0.880 132 L CB 0.003 42.034 42.059 -0.047 0.000 1.033 132 L HN 0.376 nan 8.230 nan 0.000 0.450 133 G N -0.435 108.330 108.800 -0.058 0.000 2.201 133 G HA2 -0.214 3.746 3.960 0.000 0.000 0.212 133 G HA3 -0.214 3.746 3.960 0.000 0.000 0.212 133 G C 0.399 175.281 174.900 -0.030 0.000 0.994 133 G CA -0.141 44.935 45.100 -0.041 0.000 0.644 133 G HN 0.422 nan 8.290 nan 0.000 0.508 134 A N 0.176 122.979 122.820 -0.028 0.000 2.407 134 A HA 0.623 4.943 4.320 0.000 0.000 0.248 134 A C 0.331 177.909 177.584 -0.009 0.000 1.082 134 A CA 0.707 52.737 52.037 -0.012 0.000 0.785 134 A CB 0.501 19.502 19.000 0.002 0.000 1.020 134 A HN 0.606 nan 8.150 nan 0.000 0.489 135 E N 1.198 121.398 120.200 0.000 0.000 2.113 135 E HA 0.494 4.844 4.350 0.000 0.000 0.273 135 E C -1.499 175.111 176.600 0.017 0.000 0.924 135 E CA -0.489 55.914 56.400 0.005 0.000 0.764 135 E CB 0.544 30.246 29.700 0.004 0.000 1.104 135 E HN 0.460 nan 8.360 nan 0.000 0.406 136 I N 4.110 124.694 120.570 0.024 0.000 2.441 136 I HA 0.385 4.555 4.170 0.000 0.000 0.295 136 I C -0.379 175.761 176.117 0.038 0.000 0.994 136 I CA -0.452 60.869 61.300 0.036 0.000 1.144 136 I CB 1.789 39.816 38.000 0.045 0.000 1.314 136 I HN 0.390 nan 8.210 nan 0.000 0.445 137 K N 4.700 125.126 120.400 0.044 0.000 2.464 137 K HA 0.637 4.957 4.320 0.000 0.000 0.253 137 K C -1.597 175.036 176.600 0.055 0.000 0.933 137 K CA -0.815 55.498 56.287 0.043 0.000 0.801 137 K CB 2.614 35.135 32.500 0.035 0.000 1.271 137 K HN 0.377 nan 8.250 nan 0.000 0.430 138 L N 3.072 124.326 121.223 0.052 0.000 2.275 138 L HA 0.412 4.752 4.340 0.000 0.000 0.288 138 L C -1.144 175.765 176.870 0.066 0.000 1.046 138 L CA 0.476 55.353 54.840 0.063 0.000 0.805 138 L CB 0.700 42.787 42.059 0.048 0.000 1.193 138 L HN 0.726 nan 8.230 nan 0.000 0.426 139 E N 3.188 123.445 120.200 0.095 0.000 2.347 139 E HA 0.340 4.690 4.350 0.000 0.000 0.285 139 E C -1.015 175.668 176.600 0.137 0.000 0.925 139 E CA -0.661 55.791 56.400 0.085 0.000 0.779 139 E CB 1.042 30.775 29.700 0.055 0.000 1.233 139 E HN 0.667 nan 8.360 nan 0.000 0.414 140 E N 1.488 121.752 120.200 0.107 0.000 2.637 140 E HA -0.298 4.052 4.350 0.000 0.000 0.265 140 E C 0.679 177.414 176.600 0.224 0.000 1.073 140 E CA 0.644 57.125 56.400 0.136 0.000 0.778 140 E CB -1.841 27.932 29.700 0.122 0.000 1.362 140 E HN 1.313 nan 8.360 nan 0.000 0.413 141 G N -0.825 108.051 108.800 0.126 0.000 2.148 141 G HA2 -0.355 3.605 3.960 0.000 0.000 0.254 141 G HA3 -0.355 3.605 3.960 0.000 0.000 0.254 141 G C -0.285 174.579 174.900 -0.060 0.000 0.981 141 G CA 0.632 45.748 45.100 0.026 0.000 0.670 141 G HN 0.311 nan 8.290 nan 0.000 0.528 142 Y N -0.968 119.352 120.300 0.034 0.000 2.352 142 Y HA 0.535 5.085 4.550 -0.000 0.000 0.339 142 Y C 0.437 176.357 175.900 0.033 0.000 0.992 142 Y CA -0.841 57.284 58.100 0.042 0.000 1.100 142 Y CB 2.214 40.700 38.460 0.043 0.000 1.192 142 Y HN 0.264 nan 8.280 nan 0.000 0.458 143 V N 5.944 125.934 119.914 0.128 0.000 2.356 143 V HA 0.313 4.433 4.120 0.000 0.000 0.258 143 V C -0.616 175.551 176.094 0.122 0.000 1.065 143 V CA -0.515 61.841 62.300 0.094 0.000 0.935 143 V CB -0.414 31.436 31.823 0.046 0.000 1.061 143 V HN 0.670 nan 8.190 nan 0.000 0.484 144 K N 6.251 126.721 120.400 0.116 0.000 2.248 144 K HA 0.749 5.069 4.320 0.000 0.000 0.281 144 K C -0.183 176.459 176.600 0.070 0.000 1.054 144 K CA -0.086 56.261 56.287 0.100 0.000 0.903 144 K CB 1.813 34.363 32.500 0.083 0.000 1.077 144 K HN 0.784 nan 8.250 nan 0.000 0.474 145 A N 1.939 124.799 122.820 0.067 0.000 2.355 145 A HA 0.730 5.050 4.320 0.000 0.000 0.324 145 A C -0.625 176.978 177.584 0.031 0.000 1.117 145 A CA -0.610 51.457 52.037 0.049 0.000 0.785 145 A CB 1.265 20.300 19.000 0.058 0.000 1.254 145 A HN 0.717 nan 8.150 nan 0.000 0.453 146 S N -0.315 115.395 115.700 0.016 0.000 2.596 146 S HA 0.790 5.260 4.470 0.000 0.000 0.270 146 S C -1.327 173.270 174.600 -0.006 0.000 1.155 146 S CA -0.409 57.790 58.200 -0.001 0.000 0.827 146 S CB 1.309 64.505 63.200 -0.006 0.000 1.130 146 S HN 2.183 nan 8.310 nan 0.000 0.467 147 V N 0.888 120.792 119.914 -0.015 0.000 2.924 147 V HA 0.529 4.649 4.120 0.000 0.000 0.300 147 V C -1.916 174.165 176.094 -0.022 0.000 1.227 147 V CA -0.733 61.557 62.300 -0.017 0.000 0.954 147 V CB 2.079 33.892 31.823 -0.017 0.000 1.055 147 V HN 1.046 nan 8.190 nan 0.000 0.429 148 N N 4.850 123.539 118.700 -0.019 0.000 2.439 148 N HA 0.630 5.370 4.740 0.000 0.000 0.243 148 N C 0.396 175.893 175.510 -0.022 0.000 1.088 148 N CA 1.043 54.081 53.050 -0.019 0.000 0.940 148 N CB 1.165 39.643 38.487 -0.015 0.000 1.180 148 N HN 1.389 nan 8.380 nan 0.000 0.505 149 G N 1.547 110.332 108.800 -0.026 0.000 2.527 149 G HA2 -0.263 3.697 3.960 0.000 0.000 0.227 149 G HA3 -0.263 3.697 3.960 0.000 0.000 0.227 149 G C -0.446 174.433 174.900 -0.034 0.000 1.291 149 G CA -0.750 44.333 45.100 -0.029 0.000 0.904 149 G HN 0.505 nan 8.290 nan 0.000 0.577 150 R N -0.629 119.850 120.500 -0.035 0.000 2.577 150 R HA 0.555 4.895 4.340 0.000 0.000 0.269 150 R C 0.704 176.985 176.300 -0.032 0.000 1.084 150 R CA -0.533 55.544 56.100 -0.038 0.000 1.163 150 R CB 0.305 30.581 30.300 -0.040 0.000 1.100 150 R HN 0.454 nan 8.270 nan 0.000 0.547 151 L N 1.479 122.683 121.223 -0.031 0.000 2.466 151 L HA 0.246 4.586 4.340 0.000 0.000 0.257 151 L C 0.354 177.207 176.870 -0.028 0.000 1.189 151 L CA 0.007 54.831 54.840 -0.027 0.000 0.813 151 L CB 0.388 42.432 42.059 -0.024 0.000 1.118 151 L HN 0.335 nan 8.230 nan 0.000 0.471 152 K N 0.601 120.984 120.400 -0.028 0.000 2.244 152 K HA 0.390 4.710 4.320 0.000 0.000 0.260 152 K C -0.062 176.522 176.600 -0.026 0.000 0.951 152 K CA -0.664 55.607 56.287 -0.027 0.000 0.826 152 K CB 1.748 34.233 32.500 -0.024 0.000 1.108 152 K HN 0.732 nan 8.250 nan 0.000 0.433 153 G N 1.187 109.972 108.800 -0.024 0.000 2.474 153 G HA2 0.356 4.316 3.960 0.000 0.000 0.233 153 G HA3 0.356 4.316 3.960 0.000 0.000 0.233 153 G C -0.595 174.297 174.900 -0.014 0.000 1.278 153 G CA -0.114 44.974 45.100 -0.021 0.000 0.861 153 G HN 0.634 nan 8.290 nan 0.000 0.567 154 A N 1.062 123.880 122.820 -0.003 0.000 2.609 154 A HA 0.649 4.969 4.320 0.000 0.000 0.291 154 A C -0.945 176.688 177.584 0.081 0.000 1.096 154 A CA -0.708 51.341 52.037 0.020 0.000 0.684 154 A CB 1.060 20.053 19.000 -0.013 0.000 1.282 154 A HN 0.948 nan 8.150 nan 0.000 0.412 155 H N 1.016 120.076 119.070 -0.017 0.000 2.690 155 H HA 0.597 5.153 4.556 -0.000 0.000 0.289 155 H C -1.001 174.334 175.328 0.011 0.000 1.089 155 H CA -0.437 55.611 56.048 -0.001 0.000 1.299 155 H CB 0.184 29.948 29.762 0.004 0.000 1.405 155 H HN 0.469 nan 8.280 nan 0.000 0.463 156 I N 6.265 126.932 120.570 0.162 0.000 2.362 156 I HA 0.169 4.339 4.170 0.000 0.000 0.289 156 I C -0.495 175.675 176.117 0.088 0.000 0.994 156 I CA -0.985 60.368 61.300 0.088 0.000 1.158 156 I CB 1.813 39.858 38.000 0.076 0.000 1.315 156 I HN 0.281 nan 8.210 nan 0.000 0.451 157 V N 6.570 126.524 119.914 0.068 0.000 2.350 157 V HA 0.350 4.470 4.120 0.000 0.000 0.276 157 V C 0.461 176.596 176.094 0.067 0.000 1.028 157 V CA -0.632 61.682 62.300 0.023 0.000 0.860 157 V CB 1.291 33.078 31.823 -0.061 0.000 0.990 157 V HN 0.608 nan 8.190 nan 0.000 0.453 158 M N 4.029 123.653 119.600 0.039 0.000 2.233 158 M HA 0.261 4.741 4.480 0.000 0.000 0.350 158 M C 0.655 176.913 176.300 -0.069 0.000 1.176 158 M CA -0.222 55.072 55.300 -0.009 0.000 1.150 158 M CB 0.629 33.231 32.600 0.003 0.000 1.530 158 M HN 0.829 nan 8.290 nan 0.000 0.459 159 D N -0.038 120.281 120.400 -0.135 0.000 2.398 159 D HA 0.167 4.807 4.640 0.000 0.000 0.210 159 D C 0.072 176.313 176.300 -0.098 0.000 1.094 159 D CA -0.068 53.859 54.000 -0.122 0.000 0.839 159 D CB 0.401 41.101 40.800 -0.166 0.000 0.963 159 D HN 0.542 nan 8.370 nan 0.000 0.506 160 K N 0.178 120.524 120.400 -0.090 0.000 2.523 160 K HA 0.447 4.767 4.320 0.000 0.000 0.257 160 K C -1.715 174.852 176.600 -0.055 0.000 0.932 160 K CA -0.932 55.311 56.287 -0.074 0.000 0.812 160 K CB 2.283 34.732 32.500 -0.084 0.000 1.326 160 K HN -0.156 nan 8.250 nan 0.000 0.433 161 V N 2.901 122.787 119.914 -0.047 0.000 2.455 161 V HA 0.325 4.445 4.120 0.000 0.000 0.273 161 V C -0.368 175.707 176.094 -0.030 0.000 1.045 161 V CA -0.150 62.133 62.300 -0.029 0.000 0.976 161 V CB 0.847 32.657 31.823 -0.021 0.000 0.993 161 V HN 0.728 nan 8.190 nan 0.000 0.475 162 S N 4.119 119.811 115.700 -0.013 0.000 2.647 162 S HA 0.414 4.884 4.470 0.000 0.000 0.300 162 S C 0.540 175.163 174.600 0.038 0.000 1.129 162 S CA -0.616 57.586 58.200 0.004 0.000 1.029 162 S CB 1.882 65.077 63.200 -0.008 0.000 1.007 162 S HN 0.321 nan 8.310 nan 0.000 0.484 163 V N 5.438 125.402 119.914 0.083 0.000 2.261 163 V HA -0.014 4.106 4.120 0.000 0.000 0.246 163 V C 2.691 178.921 176.094 0.227 0.000 1.047 163 V CA 2.568 64.948 62.300 0.135 0.000 1.015 163 V CB -1.272 30.652 31.823 0.169 0.000 0.642 163 V HN 0.956 nan 8.190 nan 0.000 0.446 164 G N -0.405 108.583 108.800 0.313 0.000 2.459 164 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 164 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 164 G C 1.775 176.771 174.900 0.160 0.000 1.183 164 G CA 1.154 46.577 45.100 0.538 0.000 0.776 164 G HN 0.619 nan 8.290 nan 0.000 0.552 165 A N 0.079 122.681 122.820 -0.364 0.000 1.933 165 A HA -0.007 4.313 4.320 0.000 0.000 0.218 165 A C 2.522 180.002 177.584 -0.173 0.000 1.175 165 A CA 2.438 54.095 52.037 -0.633 0.000 0.628 165 A CB -0.934 17.844 19.000 -0.370 0.000 0.814 165 A HN 0.306 nan 8.150 nan 0.000 0.444 166 T N -0.324 114.202 114.554 -0.046 0.000 2.746 166 T HA -0.125 4.225 4.350 0.000 0.000 0.267 166 T C 1.877 176.574 174.700 -0.005 0.000 1.039 166 T CA 1.595 63.691 62.100 -0.006 0.000 1.142 166 T CB -0.406 68.469 68.868 0.012 0.000 0.866 166 T HN 0.170 nan 8.240 nan 0.000 0.444 167 V N 1.349 121.274 119.914 0.017 0.000 2.261 167 V HA -0.196 3.924 4.120 0.000 0.000 0.246 167 V C 2.800 178.873 176.094 -0.036 0.000 1.047 167 V CA 2.057 64.311 62.300 -0.077 0.000 1.015 167 V CB -1.169 30.484 31.823 -0.283 0.000 0.642 167 V HN 0.502 nan 8.190 nan 0.000 0.446 168 T N 0.434 115.054 114.554 0.110 0.000 2.635 168 T HA -0.198 4.152 4.350 0.000 0.000 0.267 168 T C 1.786 176.530 174.700 0.073 0.000 1.040 168 T CA 2.173 64.376 62.100 0.173 0.000 1.156 168 T CB -0.331 68.715 68.868 0.296 0.000 0.863 168 T HN 0.345 nan 8.240 nan 0.000 0.430 169 I N 0.655 121.244 120.570 0.031 0.000 2.179 169 I HA -0.182 3.988 4.170 0.000 0.000 0.242 169 I C 2.614 178.735 176.117 0.006 0.000 1.088 169 I CA 1.374 62.685 61.300 0.018 0.000 1.357 169 I CB -0.418 37.590 38.000 0.013 0.000 1.051 169 I HN 0.260 nan 8.210 nan 0.000 0.409 170 M N 0.394 119.992 119.600 -0.005 0.000 2.108 170 M HA -0.229 4.251 4.480 0.000 0.000 0.261 170 M C 2.433 178.720 176.300 -0.022 0.000 1.066 170 M CA 1.927 57.216 55.300 -0.017 0.000 1.107 170 M CB -0.030 32.553 32.600 -0.029 0.000 1.356 170 M HN 0.129 nan 8.290 nan 0.000 0.406 171 S N 0.707 116.395 115.700 -0.019 0.000 2.348 171 S HA -0.072 4.398 4.470 0.000 0.000 0.221 171 S C 2.026 176.629 174.600 0.005 0.000 1.033 171 S CA 1.358 59.552 58.200 -0.010 0.000 1.010 171 S CB -0.560 62.640 63.200 0.000 0.000 0.891 171 S HN 0.701 nan 8.310 nan 0.000 0.442 172 A N 1.430 124.263 122.820 0.022 0.000 1.972 172 A HA 0.123 4.443 4.320 0.000 0.000 0.219 172 A C 2.291 179.874 177.584 -0.003 0.000 1.169 172 A CA 1.630 53.680 52.037 0.021 0.000 0.635 172 A CB -0.946 18.075 19.000 0.035 0.000 0.810 172 A HN 0.514 nan 8.150 nan 0.000 0.446 173 A N -0.077 122.738 122.820 -0.009 0.000 2.019 173 A HA -0.075 4.245 4.320 0.000 0.000 0.219 173 A C 2.350 179.917 177.584 -0.029 0.000 1.164 173 A CA 2.259 54.284 52.037 -0.019 0.000 0.644 173 A CB -1.375 17.614 19.000 -0.017 0.000 0.805 173 A HN 0.804 nan 8.150 nan 0.000 0.449 174 T N -1.809 112.724 114.554 -0.034 0.000 2.803 174 T HA -0.062 4.288 4.350 0.000 0.000 0.269 174 T C 1.310 175.979 174.700 -0.050 0.000 1.052 174 T CA 1.514 63.585 62.100 -0.048 0.000 1.136 174 T CB -0.377 68.455 68.868 -0.061 0.000 0.864 174 T HN 0.325 nan 8.240 nan 0.000 0.467 175 L N 0.610 121.805 121.223 -0.046 0.000 2.769 175 L HA 0.540 4.880 4.340 0.000 0.000 0.240 175 L C 1.291 178.133 176.870 -0.047 0.000 1.163 175 L CA -0.588 54.219 54.840 -0.054 0.000 0.962 175 L CB -0.305 41.714 42.059 -0.065 0.000 1.258 175 L HN 0.308 nan 8.230 nan 0.000 0.513 176 A N 0.270 123.066 122.820 -0.039 0.000 2.287 176 A HA 0.244 4.564 4.320 0.000 0.000 0.273 176 A C 0.094 177.657 177.584 -0.035 0.000 1.091 176 A CA -0.251 51.765 52.037 -0.035 0.000 0.817 176 A CB 0.429 19.412 19.000 -0.029 0.000 1.069 176 A HN 0.256 nan 8.150 nan 0.000 0.492 177 E N -0.021 120.160 120.200 -0.032 0.000 2.044 177 E HA 0.465 4.815 4.350 0.000 0.000 0.282 177 E C 0.488 177.071 176.600 -0.028 0.000 1.031 177 E CA 0.755 57.137 56.400 -0.030 0.000 0.824 177 E CB 0.185 29.869 29.700 -0.028 0.000 1.076 177 E HN 1.333 nan 8.360 nan 0.000 0.395 178 G N 2.705 111.488 108.800 -0.029 0.000 2.447 178 G HA2 -0.175 3.785 3.960 0.000 0.000 0.220 178 G HA3 -0.175 3.785 3.960 0.000 0.000 0.220 178 G C -0.566 174.316 174.900 -0.031 0.000 1.261 178 G CA -0.583 44.500 45.100 -0.028 0.000 1.000 178 G HN 0.463 nan 8.290 nan 0.000 0.515 179 T N 1.116 115.651 114.554 -0.032 0.000 2.824 179 T HA 0.706 5.056 4.350 0.000 0.000 0.280 179 T C 0.004 174.683 174.700 -0.035 0.000 0.995 179 T CA 0.225 62.303 62.100 -0.037 0.000 1.009 179 T CB 1.547 70.387 68.868 -0.046 0.000 0.955 179 T HN 0.741 nan 8.240 nan 0.000 0.452 180 T N 3.488 118.023 114.554 -0.030 0.000 2.855 180 T HA 0.668 5.018 4.350 0.000 0.000 0.281 180 T C -0.385 174.305 174.700 -0.017 0.000 1.007 180 T CA -0.531 61.560 62.100 -0.016 0.000 1.009 180 T CB 0.714 69.576 68.868 -0.009 0.000 0.983 180 T HN 0.410 nan 8.240 nan 0.000 0.455 181 I N 3.140 123.717 120.570 0.011 0.000 2.478 181 I HA 0.424 4.594 4.170 0.000 0.000 0.287 181 I C -0.735 175.462 176.117 0.133 0.000 1.042 181 I CA -0.750 60.564 61.300 0.023 0.000 1.067 181 I CB 1.815 39.740 38.000 -0.124 0.000 1.233 181 I HN 0.467 nan 8.210 nan 0.000 0.431 182 I N 5.899 126.522 120.570 0.090 0.000 2.307 182 I HA 0.255 4.425 4.170 0.000 0.000 0.289 182 I C 0.120 176.296 176.117 0.097 0.000 1.021 182 I CA -0.575 60.782 61.300 0.094 0.000 1.224 182 I CB 0.788 38.820 38.000 0.053 0.000 1.376 182 I HN 0.436 nan 8.210 nan 0.000 0.470 183 E N 4.913 125.180 120.200 0.112 0.000 2.301 183 E HA 0.104 4.454 4.350 0.000 0.000 0.275 183 E C 0.215 176.841 176.600 0.045 0.000 1.030 183 E CA -0.322 56.128 56.400 0.083 0.000 0.852 183 E CB 0.987 30.723 29.700 0.060 0.000 1.060 183 E HN 0.552 nan 8.360 nan 0.000 0.401 184 N N 0.493 119.213 118.700 0.032 0.000 2.740 184 N HA -0.225 4.515 4.740 0.000 0.000 0.248 184 N C -1.127 174.393 175.510 0.018 0.000 1.062 184 N CA 0.796 53.855 53.050 0.016 0.000 0.704 184 N CB -0.834 37.653 38.487 0.000 0.000 0.968 184 N HN 0.569 nan 8.380 nan 0.000 0.547 185 A N -0.099 122.736 122.820 0.026 0.000 2.366 185 A HA 0.700 5.020 4.320 0.000 0.000 0.249 185 A C 0.917 178.515 177.584 0.023 0.000 1.084 185 A CA 0.138 52.190 52.037 0.024 0.000 0.794 185 A CB 0.346 19.362 19.000 0.026 0.000 1.034 185 A HN 0.860 nan 8.150 nan 0.000 0.491 186 A N 0.735 123.570 122.820 0.024 0.000 2.425 186 A HA 0.491 4.811 4.320 0.000 0.000 0.249 186 A C 0.684 178.292 177.584 0.041 0.000 1.084 186 A CA -0.229 51.828 52.037 0.034 0.000 0.781 186 A CB 0.030 19.053 19.000 0.038 0.000 1.019 186 A HN 0.761 nan 8.150 nan 0.000 0.490 187 R N 0.508 121.048 120.500 0.067 0.000 2.468 187 R HA 0.189 4.529 4.340 0.000 0.000 0.280 187 R C -0.506 175.854 176.300 0.101 0.000 0.963 187 R CA -0.119 56.034 56.100 0.089 0.000 1.083 187 R CB 0.158 30.526 30.300 0.114 0.000 1.200 187 R HN 0.760 nan 8.270 nan 0.000 0.541 188 E N 1.061 121.279 120.200 0.029 0.000 2.442 188 E HA -0.025 4.325 4.350 0.000 0.000 0.262 188 E C -1.591 174.894 176.600 -0.190 0.000 1.004 188 E CA -1.308 55.003 56.400 -0.148 0.000 0.928 188 E CB 0.468 30.123 29.700 -0.075 0.000 0.937 188 E HN -0.073 nan 8.360 nan 0.000 0.446 189 P HA -0.192 nan 4.420 nan 0.000 0.217 189 P C 0.319 177.559 177.300 -0.100 0.000 1.148 189 P CA 1.242 64.224 63.100 -0.196 0.000 0.828 189 P CB 0.295 31.852 31.700 -0.238 0.000 0.783 190 E N -1.051 119.090 120.200 -0.099 0.000 2.150 190 E HA -0.128 4.222 4.350 0.000 0.000 0.193 190 E C 1.953 178.514 176.600 -0.064 0.000 0.985 190 E CA 0.794 57.157 56.400 -0.062 0.000 0.814 190 E CB -0.836 28.838 29.700 -0.043 0.000 0.752 190 E HN 0.201 nan 8.360 nan 0.000 0.466 191 I N 0.210 120.746 120.570 -0.056 0.000 2.179 191 I HA -0.199 3.971 4.170 0.000 0.000 0.242 191 I C 2.132 178.225 176.117 -0.041 0.000 1.088 191 I CA 0.917 62.187 61.300 -0.049 0.000 1.357 191 I CB -1.005 36.981 38.000 -0.023 0.000 1.051 191 I HN 0.020 nan 8.210 nan 0.000 0.409 192 V N 1.049 120.948 119.914 -0.026 0.000 2.287 192 V HA -0.305 3.815 4.120 0.000 0.000 0.248 192 V C 2.283 178.380 176.094 0.006 0.000 1.053 192 V CA 2.209 64.505 62.300 -0.006 0.000 1.027 192 V CB -0.717 31.110 31.823 0.006 0.000 0.646 192 V HN 0.311 nan 8.190 nan 0.000 0.447 193 D N -0.299 120.109 120.400 0.013 0.000 2.117 193 D HA -0.138 4.502 4.640 0.000 0.000 0.197 193 D C 2.277 178.540 176.300 -0.063 0.000 0.987 193 D CA 1.739 55.774 54.000 0.059 0.000 0.829 193 D CB -0.137 40.711 40.800 0.079 0.000 0.961 193 D HN 0.404 nan 8.370 nan 0.000 0.460 194 T N -0.354 114.149 114.554 -0.086 0.000 2.821 194 T HA -0.086 4.264 4.350 0.000 0.000 0.267 194 T C 1.914 176.570 174.700 -0.073 0.000 1.046 194 T CA 1.269 63.307 62.100 -0.104 0.000 1.139 194 T CB -0.380 68.401 68.868 -0.145 0.000 0.871 194 T HN 0.202 nan 8.240 nan 0.000 0.454 195 A N 2.678 125.456 122.820 -0.071 0.000 1.877 195 A HA -0.167 4.153 4.320 0.000 0.000 0.216 195 A C 2.236 179.767 177.584 -0.089 0.000 1.186 195 A CA 1.553 53.551 52.037 -0.066 0.000 0.620 195 A CB -0.656 18.319 19.000 -0.041 0.000 0.822 195 A HN 0.391 nan 8.150 nan 0.000 0.443 196 N N -0.975 117.678 118.700 -0.077 0.000 2.223 196 N HA -0.129 4.611 4.740 0.000 0.000 0.185 196 N C 1.367 176.730 175.510 -0.245 0.000 1.016 196 N CA 1.414 54.427 53.050 -0.062 0.000 0.863 196 N CB -0.600 37.957 38.487 0.117 0.000 0.983 196 N HN 0.561 nan 8.380 nan 0.000 0.429 197 F N 1.814 121.337 119.950 -0.712 0.000 2.102 197 F HA -0.020 4.507 4.527 -0.000 0.000 0.298 197 F C 2.004 177.589 175.800 -0.357 0.000 1.105 197 F CA 0.987 58.465 58.000 -0.869 0.000 1.239 197 F CB -0.542 37.956 39.000 -0.837 0.000 0.991 197 F HN -0.097 nan 8.300 nan 0.000 0.474 198 L N -0.436 120.527 121.223 -0.433 0.000 2.042 198 L HA -0.237 4.104 4.340 0.000 0.000 0.210 198 L C 2.422 179.099 176.870 -0.321 0.000 1.076 198 L CA 1.166 55.755 54.840 -0.418 0.000 0.749 198 L CB -0.964 40.978 42.059 -0.194 0.000 0.893 198 L HN 0.029 nan 8.230 nan 0.000 0.432 199 V N 0.088 119.872 119.914 -0.216 0.000 2.407 199 V HA -0.295 3.825 4.120 0.000 0.000 0.248 199 V C 2.716 178.725 176.094 -0.142 0.000 1.055 199 V CA 1.756 63.973 62.300 -0.139 0.000 1.049 199 V CB -0.847 30.930 31.823 -0.076 0.000 0.662 199 V HN 0.499 nan 8.190 nan 0.000 0.455 200 A N -0.465 122.250 122.820 -0.176 0.000 2.015 200 A HA -0.079 4.241 4.320 0.000 0.000 0.219 200 A C 2.069 179.546 177.584 -0.178 0.000 1.163 200 A CA 1.358 53.326 52.037 -0.116 0.000 0.646 200 A CB -0.423 18.563 19.000 -0.022 0.000 0.806 200 A HN 0.538 nan 8.150 nan 0.000 0.448 201 L N -1.658 119.373 121.223 -0.319 0.000 2.599 201 L HA 0.177 4.517 4.340 0.000 0.000 0.230 201 L C 1.664 178.431 176.870 -0.172 0.000 1.141 201 L CA 0.633 55.306 54.840 -0.277 0.000 0.877 201 L CB -0.071 41.742 42.059 -0.411 0.000 1.009 201 L HN 0.595 nan 8.230 nan 0.000 0.447 202 G N -0.682 108.030 108.800 -0.146 0.000 2.192 202 G HA2 -0.175 3.785 3.960 0.000 0.000 0.193 202 G HA3 -0.175 3.785 3.960 0.000 0.000 0.193 202 G C 0.385 175.228 174.900 -0.096 0.000 0.999 202 G CA -0.176 44.864 45.100 -0.100 0.000 0.659 202 G HN 0.406 nan 8.290 nan 0.000 0.503 203 A N 0.177 122.924 122.820 -0.122 0.000 2.406 203 A HA 0.636 4.956 4.320 0.000 0.000 0.243 203 A C 0.440 177.977 177.584 -0.079 0.000 1.082 203 A CA 0.468 52.444 52.037 -0.101 0.000 0.786 203 A CB 0.319 19.247 19.000 -0.120 0.000 1.029 203 A HN 0.369 nan 8.150 nan 0.000 0.495 204 K N 1.251 121.613 120.400 -0.063 0.000 2.404 204 K HA 0.579 4.899 4.320 0.000 0.000 0.257 204 K C -1.386 175.187 176.600 -0.046 0.000 1.026 204 K CA 0.289 56.547 56.287 -0.049 0.000 0.951 204 K CB 0.971 33.445 32.500 -0.042 0.000 1.203 204 K HN 0.588 nan 8.250 nan 0.000 0.446 205 I N 1.298 121.842 120.570 -0.043 0.000 2.730 205 I HA 0.343 4.513 4.170 0.000 0.000 0.298 205 I C -0.375 175.726 176.117 -0.027 0.000 1.089 205 I CA -0.783 60.495 61.300 -0.037 0.000 1.041 205 I CB 2.375 40.349 38.000 -0.043 0.000 1.235 205 I HN 0.555 nan 8.210 nan 0.000 0.423 206 S N 1.936 117.623 115.700 -0.022 0.000 2.556 206 S HA 0.812 5.282 4.470 0.000 0.000 0.271 206 S C 0.148 174.742 174.600 -0.010 0.000 1.135 206 S CA 0.000 58.191 58.200 -0.015 0.000 0.858 206 S CB 2.007 65.198 63.200 -0.016 0.000 1.114 206 S HN 1.390 nan 8.310 nan 0.000 0.468 207 G N 0.805 109.603 108.800 -0.004 0.000 2.217 207 G HA2 -0.248 3.712 3.960 0.000 0.000 0.246 207 G HA3 -0.248 3.712 3.960 0.000 0.000 0.246 207 G C 0.149 175.052 174.900 0.006 0.000 0.990 207 G CA 0.108 45.208 45.100 0.001 0.000 0.627 207 G HN 1.340 nan 8.290 nan 0.000 0.522 208 Q N 0.510 120.311 119.800 0.002 0.000 2.283 208 Q HA 0.363 4.703 4.340 0.000 0.000 0.301 208 Q C 1.188 177.196 176.000 0.014 0.000 1.063 208 Q CA 1.248 57.054 55.803 0.003 0.000 0.952 208 Q CB 0.795 29.530 28.738 -0.004 0.000 1.166 208 Q HN 1.896 nan 8.270 nan 0.000 0.381 209 G N 2.251 111.064 108.800 0.021 0.000 2.232 209 G HA2 -0.286 3.674 3.960 0.000 0.000 0.226 209 G HA3 -0.286 3.674 3.960 0.000 0.000 0.226 209 G C 0.262 175.187 174.900 0.042 0.000 0.996 209 G CA 0.317 45.440 45.100 0.038 0.000 0.626 209 G HN 1.154 nan 8.290 nan 0.000 0.509 210 T N -1.559 113.012 114.554 0.029 0.000 2.919 210 T HA 0.561 4.911 4.350 0.000 0.000 0.282 210 T C 0.708 175.423 174.700 0.026 0.000 1.020 210 T CA 0.580 62.695 62.100 0.025 0.000 0.994 210 T CB 1.644 70.522 68.868 0.018 0.000 1.180 210 T HN 0.213 nan 8.240 nan 0.000 0.566 211 D N -1.131 119.282 120.400 0.023 0.000 2.319 211 D HA 0.121 4.761 4.640 0.000 0.000 0.230 211 D C 0.550 176.868 176.300 0.030 0.000 1.094 211 D CA -0.276 53.739 54.000 0.024 0.000 0.856 211 D CB -0.129 40.682 40.800 0.019 0.000 0.915 211 D HN 0.590 nan 8.370 nan 0.000 0.517 212 R N 0.700 121.217 120.500 0.028 0.000 2.518 212 R HA 0.449 4.789 4.340 0.000 0.000 0.296 212 R C -1.766 174.547 176.300 0.021 0.000 1.080 212 R CA -0.537 55.584 56.100 0.034 0.000 0.922 212 R CB 0.575 30.897 30.300 0.035 0.000 1.184 212 R HN 0.026 nan 8.270 nan 0.000 0.445 213 I N 3.691 124.274 120.570 0.022 0.000 2.377 213 I HA 0.352 4.522 4.170 0.000 0.000 0.293 213 I C -0.344 175.773 176.117 0.001 0.000 0.987 213 I CA -0.848 60.457 61.300 0.008 0.000 1.185 213 I CB 2.408 40.412 38.000 0.006 0.000 1.341 213 I HN 0.612 nan 8.210 nan 0.000 0.455 214 T N 7.086 121.633 114.554 -0.012 0.000 2.779 214 T HA 0.642 4.992 4.350 0.000 0.000 0.280 214 T C -0.396 174.288 174.700 -0.026 0.000 0.987 214 T CA -0.313 61.772 62.100 -0.024 0.000 0.966 214 T CB 1.073 69.920 68.868 -0.034 0.000 0.933 214 T HN 0.173 nan 8.240 nan 0.000 0.442 215 I N 2.456 123.009 120.570 -0.028 0.000 2.436 215 I HA 0.366 4.536 4.170 0.000 0.000 0.289 215 I C 0.118 176.214 176.117 -0.035 0.000 1.010 215 I CA -0.575 60.706 61.300 -0.032 0.000 1.098 215 I CB 2.004 39.987 38.000 -0.029 0.000 1.266 215 I HN 0.546 nan 8.210 nan 0.000 0.434 216 E N 4.727 124.905 120.200 -0.037 0.000 2.102 216 E HA 0.517 4.867 4.350 0.000 0.000 0.263 216 E C 0.119 176.696 176.600 -0.039 0.000 0.894 216 E CA -0.625 55.753 56.400 -0.037 0.000 0.746 216 E CB 1.149 30.827 29.700 -0.036 0.000 1.129 216 E HN 0.850 nan 8.360 nan 0.000 0.416 217 G N 2.317 111.095 108.800 -0.038 0.000 2.562 217 G HA2 0.261 4.221 3.960 0.000 0.000 0.233 217 G HA3 0.261 4.221 3.960 0.000 0.000 0.233 217 G C 0.076 174.951 174.900 -0.042 0.000 1.266 217 G CA 0.167 45.242 45.100 -0.041 0.000 0.852 217 G HN 0.443 nan 8.290 nan 0.000 0.581 218 V N -1.254 118.632 119.914 -0.047 0.000 3.102 218 V HA 0.557 4.677 4.120 0.000 0.000 0.312 218 V C 0.826 176.889 176.094 -0.051 0.000 1.135 218 V CA -0.764 61.508 62.300 -0.048 0.000 1.022 218 V CB 1.893 33.685 31.823 -0.052 0.000 1.056 218 V HN 0.781 nan 8.190 nan 0.000 0.436 219 E N 1.094 121.265 120.200 -0.048 0.000 2.077 219 E HA -0.037 4.313 4.350 0.000 0.000 0.193 219 E C 0.432 176.995 176.600 -0.063 0.000 0.989 219 E CA 1.765 58.135 56.400 -0.051 0.000 0.800 219 E CB 0.123 29.798 29.700 -0.043 0.000 0.746 219 E HN 0.770 nan 8.360 nan 0.000 0.452 220 R N -0.835 119.628 120.500 -0.062 0.000 2.716 220 R HA 0.535 4.875 4.340 0.000 0.000 0.271 220 R C -1.366 174.893 176.300 -0.069 0.000 1.028 220 R CA -0.753 55.305 56.100 -0.070 0.000 0.883 220 R CB 0.943 31.205 30.300 -0.063 0.000 1.250 220 R HN -0.152 nan 8.270 nan 0.000 0.465 221 L N 1.057 122.235 121.223 -0.075 0.000 2.334 221 L HA 0.598 4.938 4.340 0.000 0.000 0.276 221 L C 0.630 177.459 176.870 -0.068 0.000 1.014 221 L CA -0.657 54.132 54.840 -0.086 0.000 0.815 221 L CB 2.024 44.018 42.059 -0.109 0.000 1.268 221 L HN 1.004 nan 8.230 nan 0.000 0.428 222 G N 1.236 109.994 108.800 -0.070 0.000 3.311 222 G HA2 0.610 4.570 3.960 0.000 0.000 0.169 222 G HA3 0.610 4.570 3.960 0.000 0.000 0.169 222 G C 0.050 174.929 174.900 -0.035 0.000 1.852 222 G CA 0.417 45.492 45.100 -0.042 0.000 1.010 222 G HN 0.757 nan 8.290 nan 0.000 0.530 223 G N -3.093 105.693 108.800 -0.023 0.000 3.021 223 G HA2 0.710 4.670 3.960 0.000 0.000 0.290 223 G HA3 0.710 4.670 3.960 0.000 0.000 0.290 223 G C -0.343 174.561 174.900 0.007 0.000 1.291 223 G CA 0.143 45.246 45.100 0.005 0.000 0.834 223 G HN 1.842 nan 8.290 nan 0.000 0.564 224 G N -2.613 106.222 108.800 0.059 0.000 2.350 224 G HA2 0.501 4.461 3.960 0.000 0.000 0.282 224 G HA3 0.501 4.461 3.960 0.000 0.000 0.282 224 G C -1.991 172.984 174.900 0.125 0.000 1.314 224 G CA 0.181 45.326 45.100 0.075 0.000 0.915 224 G HN 1.432 nan 8.290 nan 0.000 0.499 225 V N 0.443 120.436 119.914 0.132 0.000 2.531 225 V HA 0.727 4.847 4.120 0.000 0.000 0.301 225 V C -1.273 174.940 176.094 0.197 0.000 1.034 225 V CA -0.574 61.802 62.300 0.127 0.000 0.865 225 V CB 1.555 33.417 31.823 0.066 0.000 0.995 225 V HN 0.953 nan 8.190 nan 0.000 0.424 226 Y N 4.182 124.520 120.300 0.064 0.000 2.421 226 Y HA 0.590 5.139 4.550 -0.000 0.000 0.339 226 Y C -0.220 175.663 175.900 -0.029 0.000 0.996 226 Y CA -0.814 57.329 58.100 0.073 0.000 1.046 226 Y CB 1.685 40.300 38.460 0.259 0.000 1.226 226 Y HN 0.619 nan 8.280 nan 0.000 0.445 227 R N 5.461 125.615 120.500 -0.576 0.000 2.255 227 R HA 0.573 4.913 4.340 0.000 0.000 0.326 227 R C -1.369 174.716 176.300 -0.359 0.000 0.986 227 R CA -0.519 55.361 56.100 -0.366 0.000 0.847 227 R CB 0.817 30.942 30.300 -0.292 0.000 1.111 227 R HN 0.617 nan 8.270 nan 0.000 0.452 228 V N 6.445 126.288 119.914 -0.119 0.000 2.763 228 V HA -0.006 4.114 4.120 0.000 0.000 0.306 228 V C 1.034 177.098 176.094 -0.050 0.000 1.059 228 V CA -0.111 62.177 62.300 -0.020 0.000 1.138 228 V CB 0.590 32.392 31.823 -0.034 0.000 0.940 228 V HN 0.691 nan 8.190 nan 0.000 0.489 229 L N 4.895 126.114 121.223 -0.007 0.000 2.472 229 L HA 0.523 4.863 4.340 0.000 0.000 0.260 229 L C -2.380 174.477 176.870 -0.022 0.000 1.209 229 L CA -1.587 53.240 54.840 -0.021 0.000 0.817 229 L CB -0.085 41.974 42.059 -0.001 0.000 1.106 229 L HN 0.349 nan 8.230 nan 0.000 0.479 230 P HA -0.011 nan 4.420 nan 0.000 0.269 230 P C -1.159 176.136 177.300 -0.008 0.000 1.209 230 P CA 0.030 63.127 63.100 -0.006 0.000 0.776 230 P CB 0.343 32.046 31.700 0.004 0.000 0.876 231 D N 2.838 123.237 120.400 -0.002 0.000 2.359 231 D HA -0.006 4.634 4.640 0.000 0.000 0.250 231 D C 1.318 177.618 176.300 -0.001 0.000 1.264 231 D CA -0.089 53.902 54.000 -0.016 0.000 0.911 231 D CB 0.530 41.311 40.800 -0.032 0.000 1.056 231 D HN 0.343 nan 8.370 nan 0.000 0.499 232 R N 3.702 124.194 120.500 -0.013 0.000 2.152 232 R HA -0.115 4.225 4.340 0.000 0.000 0.232 232 R C 1.366 177.669 176.300 0.005 0.000 1.117 232 R CA 0.561 56.660 56.100 -0.001 0.000 0.981 232 R CB -0.106 30.181 30.300 -0.022 0.000 0.870 232 R HN 0.342 nan 8.270 nan 0.000 0.451 233 I N 1.731 122.287 120.570 -0.022 0.000 2.406 233 I HA -0.114 4.056 4.170 0.000 0.000 0.249 233 I C 2.493 178.615 176.117 0.009 0.000 1.122 233 I CA 1.120 62.408 61.300 -0.021 0.000 1.431 233 I CB -1.164 36.800 38.000 -0.061 0.000 1.087 233 I HN 0.352 nan 8.210 nan 0.000 0.424 234 E N 0.989 121.180 120.200 -0.015 0.000 2.051 234 E HA -0.194 4.156 4.350 0.000 0.000 0.192 234 E C 2.039 178.776 176.600 0.229 0.000 0.991 234 E CA 2.011 58.464 56.400 0.088 0.000 0.799 234 E CB 0.179 29.945 29.700 0.111 0.000 0.748 234 E HN 0.383 nan 8.360 nan 0.000 0.449 235 T N -0.147 114.521 114.554 0.190 0.000 2.652 235 T HA -0.158 4.192 4.350 0.000 0.000 0.267 235 T C 1.758 176.572 174.700 0.190 0.000 1.039 235 T CA 1.368 63.596 62.100 0.213 0.000 1.153 235 T CB -0.748 68.197 68.868 0.128 0.000 0.863 235 T HN 0.413 nan 8.240 nan 0.000 0.428 236 G N 0.902 109.779 108.800 0.129 0.000 2.442 236 G HA2 -0.221 3.739 3.960 0.000 0.000 0.219 236 G HA3 -0.221 3.739 3.960 0.000 0.000 0.219 236 G C 1.710 176.682 174.900 0.119 0.000 1.141 236 G CA 1.469 46.649 45.100 0.134 0.000 0.763 236 G HN 0.465 nan 8.290 nan 0.000 0.554 237 T N 0.785 115.384 114.554 0.075 0.000 2.746 237 T HA -0.066 4.284 4.350 0.000 0.000 0.267 237 T C 2.036 176.659 174.700 -0.128 0.000 1.039 237 T CA 1.016 63.090 62.100 -0.043 0.000 1.142 237 T CB -0.329 68.500 68.868 -0.065 0.000 0.866 237 T HN 0.302 nan 8.240 nan 0.000 0.444 238 F N 0.713 120.718 119.950 0.091 0.000 2.259 238 F HA 0.142 4.669 4.527 -0.000 0.000 0.298 238 F C 2.084 177.905 175.800 0.035 0.000 1.088 238 F CA 0.477 58.511 58.000 0.056 0.000 1.358 238 F CB -0.376 38.663 39.000 0.066 0.000 1.040 238 F HN 0.060 nan 8.300 nan 0.000 0.505 239 L N -0.836 120.511 121.223 0.207 0.000 2.093 239 L HA -0.193 4.147 4.340 0.000 0.000 0.208 239 L C 2.316 179.217 176.870 0.053 0.000 1.085 239 L CA 0.655 55.573 54.840 0.130 0.000 0.755 239 L CB -0.698 41.440 42.059 0.131 0.000 0.904 239 L HN -0.032 nan 8.230 nan 0.000 0.435 240 V N 0.015 119.932 119.914 0.004 0.000 2.427 240 V HA -0.261 3.859 4.120 0.000 0.000 0.248 240 V C 2.747 178.797 176.094 -0.074 0.000 1.051 240 V CA 1.599 63.833 62.300 -0.110 0.000 1.048 240 V CB -0.703 31.007 31.823 -0.188 0.000 0.666 240 V HN 0.471 nan 8.190 nan 0.000 0.456 241 A N 0.106 122.912 122.820 -0.023 0.000 1.917 241 A HA -0.208 4.112 4.320 0.000 0.000 0.219 241 A C 2.412 180.004 177.584 0.013 0.000 1.182 241 A CA 2.409 54.445 52.037 -0.001 0.000 0.633 241 A CB -0.753 18.292 19.000 0.074 0.000 0.819 241 A HN 0.579 nan 8.150 nan 0.000 0.448 242 A N -0.408 122.433 122.820 0.035 0.000 1.872 242 A HA 0.256 4.576 4.320 0.000 0.000 0.214 242 A C 2.527 180.104 177.584 -0.011 0.000 1.187 242 A CA 1.889 53.936 52.037 0.017 0.000 0.614 242 A CB -1.112 17.905 19.000 0.028 0.000 0.826 242 A HN 1.141 nan 8.150 nan 0.000 0.442 243 A N 0.616 123.422 122.820 -0.024 0.000 1.986 243 A HA -0.138 4.182 4.320 0.000 0.000 0.220 243 A C 2.026 179.580 177.584 -0.050 0.000 1.171 243 A CA 1.674 53.686 52.037 -0.041 0.000 0.640 243 A CB -0.840 18.119 19.000 -0.068 0.000 0.811 243 A HN 1.035 nan 8.150 nan 0.000 0.451 244 I N -2.898 117.636 120.570 -0.060 0.000 3.728 244 I HA 0.108 4.278 4.170 0.000 0.000 0.307 244 I C 1.338 177.435 176.117 -0.033 0.000 1.276 244 I CA 1.122 62.389 61.300 -0.055 0.000 1.285 244 I CB 0.203 38.160 38.000 -0.072 0.000 1.038 244 I HN 0.237 nan 8.210 nan 0.000 0.445 245 S N -0.082 115.603 115.700 -0.024 0.000 2.663 245 S HA 0.443 4.913 4.470 0.000 0.000 0.243 245 S C 1.488 176.082 174.600 -0.010 0.000 1.009 245 S CA 0.137 58.328 58.200 -0.015 0.000 0.988 245 S CB 0.226 63.420 63.200 -0.010 0.000 0.896 245 S HN 0.713 nan 8.310 nan 0.000 0.502 246 G N 0.599 109.393 108.800 -0.011 0.000 2.180 246 G HA2 -0.186 3.774 3.960 0.000 0.000 0.263 246 G HA3 -0.186 3.774 3.960 0.000 0.000 0.263 246 G C 0.580 175.471 174.900 -0.014 0.000 0.989 246 G CA 0.183 45.280 45.100 -0.006 0.000 0.692 246 G HN 1.088 nan 8.290 nan 0.000 0.526 247 G N -0.921 107.868 108.800 -0.018 0.000 2.510 247 G HA2 0.624 4.584 3.960 0.000 0.000 0.280 247 G HA3 0.624 4.584 3.960 0.000 0.000 0.280 247 G C -0.137 174.737 174.900 -0.043 0.000 1.386 247 G CA 0.093 45.180 45.100 -0.022 0.000 1.047 247 G HN 0.686 nan 8.290 nan 0.000 0.527 248 K N -1.289 119.088 120.400 -0.038 0.000 2.464 248 K HA 0.668 4.988 4.320 0.000 0.000 0.253 248 K C -1.756 174.832 176.600 -0.020 0.000 0.933 248 K CA -0.762 55.496 56.287 -0.050 0.000 0.801 248 K CB 2.288 34.745 32.500 -0.070 0.000 1.271 248 K HN 0.460 nan 8.250 nan 0.000 0.430 249 I N 2.532 123.100 120.570 -0.003 0.000 3.004 249 I HA 0.431 4.601 4.170 0.000 0.000 0.305 249 I C -1.853 174.282 176.117 0.030 0.000 1.312 249 I CA -0.948 60.358 61.300 0.009 0.000 0.992 249 I CB 2.386 40.407 38.000 0.034 0.000 1.282 249 I HN 0.414 nan 8.210 nan 0.000 0.449 250 V N 5.029 124.951 119.914 0.013 0.000 2.483 250 V HA 0.363 4.483 4.120 0.000 0.000 0.297 250 V C -0.725 175.395 176.094 0.043 0.000 1.027 250 V CA -0.568 61.760 62.300 0.046 0.000 0.855 250 V CB 1.442 33.244 31.823 -0.036 0.000 0.995 250 V HN 0.778 nan 8.190 nan 0.000 0.424 251 C N 6.155 125.523 119.300 0.112 0.000 2.285 251 C HA 0.615 5.075 4.460 0.000 0.000 0.335 251 C C 0.574 175.642 174.990 0.130 0.000 1.267 251 C CA -1.058 58.011 59.018 0.085 0.000 1.762 251 C CB -0.025 27.785 27.740 0.116 0.000 2.365 251 C HN 0.740 nan 8.230 nan 0.000 0.527 252 R N 2.354 122.896 120.500 0.070 0.000 2.532 252 R HA 0.278 4.618 4.340 0.000 0.000 0.272 252 R C 0.299 176.644 176.300 0.075 0.000 1.032 252 R CA -0.386 55.769 56.100 0.091 0.000 1.089 252 R CB 0.260 30.578 30.300 0.031 0.000 1.098 252 R HN 0.777 nan 8.270 nan 0.000 0.526 253 N N -1.290 117.460 118.700 0.083 0.000 2.754 253 N HA -0.191 4.549 4.740 0.000 0.000 0.248 253 N C -1.093 174.445 175.510 0.047 0.000 1.093 253 N CA 1.168 54.249 53.050 0.051 0.000 0.699 253 N CB -0.929 37.573 38.487 0.026 0.000 1.016 253 N HN 0.742 nan 8.380 nan 0.000 0.552 254 A N -0.203 122.656 122.820 0.065 0.000 2.269 254 A HA 0.714 5.034 4.320 0.000 0.000 0.327 254 A C 0.210 177.799 177.584 0.009 0.000 1.112 254 A CA -0.382 51.682 52.037 0.045 0.000 0.865 254 A CB 1.123 20.163 19.000 0.067 0.000 1.227 254 A HN 0.220 nan 8.150 nan 0.000 0.498 255 Q N 0.490 120.288 119.800 -0.003 0.000 2.771 255 Q HA 0.305 4.645 4.340 0.000 0.000 0.247 255 Q C -2.273 173.711 176.000 -0.026 0.000 0.986 255 Q CA -1.761 54.029 55.803 -0.022 0.000 0.713 255 Q CB 1.220 29.949 28.738 -0.015 0.000 1.241 255 Q HN 0.440 nan 8.270 nan 0.000 0.488 256 P HA -0.242 nan 4.420 nan 0.000 0.218 256 P C 0.625 177.908 177.300 -0.027 0.000 1.154 256 P CA 1.765 64.830 63.100 -0.059 0.000 0.872 256 P CB 0.187 31.811 31.700 -0.128 0.000 0.790 257 D N -1.406 118.980 120.400 -0.023 0.000 2.384 257 D HA -0.120 4.520 4.640 0.000 0.000 0.222 257 D C 1.179 177.508 176.300 0.047 0.000 0.976 257 D CA 1.506 55.508 54.000 0.004 0.000 0.915 257 D CB -1.563 39.238 40.800 0.002 0.000 0.896 257 D HN 0.252 nan 8.370 nan 0.000 0.523 258 T N -2.630 111.950 114.554 0.043 0.000 3.107 258 T HA 0.219 4.569 4.350 0.000 0.000 0.249 258 T C 1.196 175.958 174.700 0.103 0.000 1.096 258 T CA -0.273 61.875 62.100 0.080 0.000 1.012 258 T CB -0.298 68.570 68.868 -0.001 0.000 0.977 258 T HN 0.200 nan 8.240 nan 0.000 0.527 259 L N 0.561 121.820 121.223 0.059 0.000 3.366 259 L HA 0.364 4.704 4.340 0.000 0.000 0.304 259 L C 0.813 177.696 176.870 0.022 0.000 1.292 259 L CA -0.321 54.541 54.840 0.036 0.000 1.012 259 L CB 0.543 42.620 42.059 0.030 0.000 1.414 259 L HN -0.011 nan 8.230 nan 0.000 0.603 260 D N 1.580 121.989 120.400 0.016 0.000 2.116 260 D HA -0.230 4.410 4.640 0.000 0.000 0.193 260 D C 2.141 178.445 176.300 0.006 0.000 0.998 260 D CA 1.807 55.808 54.000 0.002 0.000 0.836 260 D CB 0.215 41.005 40.800 -0.017 0.000 0.951 260 D HN 0.408 nan 8.370 nan 0.000 0.449 261 A N 0.758 123.570 122.820 -0.014 0.000 1.883 261 A HA -0.157 4.163 4.320 0.000 0.000 0.217 261 A C 2.632 180.242 177.584 0.043 0.000 1.186 261 A CA 1.612 53.654 52.037 0.009 0.000 0.624 261 A CB -0.877 18.117 19.000 -0.011 0.000 0.822 261 A HN 0.156 nan 8.150 nan 0.000 0.444 262 V N 0.273 120.174 119.914 -0.022 0.000 2.295 262 V HA -0.267 3.853 4.120 0.000 0.000 0.246 262 V C 2.586 178.781 176.094 0.168 0.000 1.049 262 V CA 2.001 64.318 62.300 0.028 0.000 1.024 262 V CB -0.803 31.014 31.823 -0.010 0.000 0.648 262 V HN 0.569 nan 8.190 nan 0.000 0.447 263 L N 0.020 121.310 121.223 0.112 0.000 2.083 263 L HA -0.171 4.169 4.340 0.000 0.000 0.209 263 L C 2.735 179.674 176.870 0.115 0.000 1.083 263 L CA 1.567 56.476 54.840 0.114 0.000 0.752 263 L CB -0.872 41.226 42.059 0.066 0.000 0.899 263 L HN 0.382 nan 8.230 nan 0.000 0.433 264 A N -0.081 122.794 122.820 0.092 0.000 1.902 264 A HA -0.221 4.099 4.320 0.000 0.000 0.217 264 A C 2.296 179.947 177.584 0.111 0.000 1.181 264 A CA 1.704 53.789 52.037 0.081 0.000 0.623 264 A CB -0.321 18.711 19.000 0.054 0.000 0.818 264 A HN 0.155 nan 8.150 nan 0.000 0.443 265 K N -0.202 120.288 120.400 0.150 0.000 2.097 265 K HA 0.116 4.436 4.320 0.000 0.000 0.205 265 K C 1.739 178.523 176.600 0.306 0.000 1.050 265 K CA 0.894 57.300 56.287 0.198 0.000 0.938 265 K CB -0.465 32.124 32.500 0.148 0.000 0.718 265 K HN 0.507 nan 8.250 nan 0.000 0.442 266 L N -0.003 121.420 121.223 0.334 0.000 2.093 266 L HA -0.137 4.203 4.340 0.000 0.000 0.208 266 L C 2.293 179.256 176.870 0.155 0.000 1.085 266 L CA 1.143 56.139 54.840 0.261 0.000 0.755 266 L CB -0.237 41.957 42.059 0.225 0.000 0.904 266 L HN 0.145 nan 8.230 nan 0.000 0.435 267 R N -0.008 120.571 120.500 0.133 0.000 2.092 267 R HA -0.158 4.182 4.340 0.000 0.000 0.231 267 R C 2.070 178.424 176.300 0.090 0.000 1.119 267 R CA 1.181 57.339 56.100 0.097 0.000 0.970 267 R CB -0.225 30.124 30.300 0.081 0.000 0.864 267 R HN 0.433 nan 8.270 nan 0.000 0.440 268 E N 0.352 120.611 120.200 0.098 0.000 2.204 268 E HA -0.138 4.212 4.350 0.000 0.000 0.195 268 E C 1.650 178.300 176.600 0.082 0.000 0.990 268 E CA 1.010 57.459 56.400 0.081 0.000 0.821 268 E CB 0.036 29.783 29.700 0.079 0.000 0.750 268 E HN 0.332 nan 8.360 nan 0.000 0.477 269 A N -0.225 122.657 122.820 0.103 0.000 2.208 269 A HA 0.202 4.522 4.320 0.000 0.000 0.209 269 A C 1.649 179.270 177.584 0.062 0.000 1.161 269 A CA 0.944 53.030 52.037 0.082 0.000 0.782 269 A CB -0.020 19.033 19.000 0.087 0.000 0.816 269 A HN 0.342 nan 8.150 nan 0.000 0.477 270 G N -2.431 106.411 108.800 0.070 0.000 2.154 270 G HA2 0.184 4.144 3.960 0.000 0.000 0.186 270 G HA3 0.184 4.144 3.960 0.000 0.000 0.186 270 G C 0.303 175.249 174.900 0.077 0.000 1.000 270 G CA 0.080 45.221 45.100 0.068 0.000 0.664 270 G HN 1.445 nan 8.290 nan 0.000 0.513 271 A N 0.106 122.970 122.820 0.073 0.000 2.371 271 A HA 0.586 4.906 4.320 0.000 0.000 0.257 271 A C 0.099 177.732 177.584 0.082 0.000 1.089 271 A CA 0.497 52.573 52.037 0.064 0.000 0.794 271 A CB 0.636 19.670 19.000 0.057 0.000 1.029 271 A HN 0.529 nan 8.150 nan 0.000 0.488 272 D N 1.974 122.420 120.400 0.076 0.000 2.428 272 D HA 0.458 5.098 4.640 0.000 0.000 0.221 272 D C -0.602 175.747 176.300 0.081 0.000 1.123 272 D CA 0.080 54.147 54.000 0.112 0.000 0.869 272 D CB -0.043 40.885 40.800 0.213 0.000 1.032 272 D HN 0.349 nan 8.370 nan 0.000 0.506 273 I N 2.794 123.417 120.570 0.088 0.000 2.441 273 I HA 0.390 4.560 4.170 0.000 0.000 0.295 273 I C 0.323 176.495 176.117 0.092 0.000 0.994 273 I CA -0.773 60.580 61.300 0.088 0.000 1.144 273 I CB 1.782 39.828 38.000 0.076 0.000 1.314 273 I HN 0.256 nan 8.210 nan 0.000 0.445 274 E N 3.229 123.503 120.200 0.123 0.000 2.343 274 E HA 0.573 4.923 4.350 0.000 0.000 0.270 274 E C -1.138 175.456 176.600 -0.011 0.000 0.895 274 E CA -0.774 55.693 56.400 0.112 0.000 0.767 274 E CB 2.827 32.674 29.700 0.244 0.000 1.248 274 E HN 0.678 nan 8.360 nan 0.000 0.440 275 T N -1.410 112.976 114.554 -0.280 0.000 2.906 275 T HA 0.804 5.154 4.350 0.000 0.000 0.295 275 T C 0.100 174.094 174.700 -1.178 0.000 1.075 275 T CA -0.744 60.931 62.100 -0.709 0.000 1.005 275 T CB 1.943 70.584 68.868 -0.379 0.000 1.136 275 T HN 0.515 nan 8.240 nan 0.000 0.498 276 G N 0.008 107.724 108.800 -1.807 0.000 3.251 276 G HA2 0.498 4.458 3.960 0.000 0.000 0.248 276 G HA3 0.498 4.458 3.960 0.000 0.000 0.248 276 G C 0.274 174.756 174.900 -0.697 0.000 1.320 276 G CA -0.470 43.800 45.100 -1.383 0.000 0.982 276 G HN 0.711 nan 8.290 nan 0.000 0.575 277 E N -0.340 119.660 120.200 -0.333 0.000 2.072 277 E HA -0.079 4.271 4.350 0.000 0.000 0.191 277 E C 0.871 177.392 176.600 -0.132 0.000 0.985 277 E CA 2.010 58.321 56.400 -0.147 0.000 0.801 277 E CB 0.156 29.845 29.700 -0.018 0.000 0.750 277 E HN 0.469 nan 8.360 nan 0.000 0.452 278 D N -1.149 119.197 120.400 -0.090 0.000 2.760 278 D HA 0.073 4.713 4.640 0.000 0.000 0.314 278 D C -0.530 175.840 176.300 0.118 0.000 1.464 278 D CA -0.580 53.425 54.000 0.009 0.000 0.797 278 D CB -0.887 39.958 40.800 0.075 0.000 1.149 278 D HN 0.302 nan 8.370 nan 0.000 0.455 279 W N -0.147 121.156 121.300 0.006 0.000 3.137 279 W HA 0.670 5.330 4.660 0.000 0.000 0.324 279 W C -2.133 174.394 176.519 0.014 0.000 1.253 279 W CA -1.272 56.077 57.345 0.006 0.000 1.183 279 W CB 0.460 29.920 29.460 0.000 0.000 1.424 279 W HN -0.280 nan 8.180 nan 0.000 0.566 280 I N 2.934 123.710 120.570 0.343 0.000 2.619 280 I HA 0.354 4.524 4.170 0.000 0.000 0.292 280 I C -0.223 176.124 176.117 0.384 0.000 1.100 280 I CA -0.739 60.691 61.300 0.218 0.000 1.043 280 I CB 2.606 40.660 38.000 0.091 0.000 1.239 280 I HN 0.459 nan 8.210 nan 0.000 0.420 281 S N 6.751 122.683 115.700 0.387 0.000 2.513 281 S HA 0.837 5.307 4.470 0.000 0.000 0.299 281 S C -1.073 173.622 174.600 0.159 0.000 1.087 281 S CA -0.737 57.624 58.200 0.269 0.000 1.012 281 S CB 2.284 65.659 63.200 0.292 0.000 1.044 281 S HN 0.643 nan 8.310 nan 0.000 0.485 282 L N 2.233 123.510 121.223 0.090 0.000 2.436 282 L HA 0.672 5.012 4.340 0.000 0.000 0.268 282 L C -1.915 174.941 176.870 -0.025 0.000 0.974 282 L CA -0.295 54.572 54.840 0.045 0.000 0.826 282 L CB 1.870 43.962 42.059 0.056 0.000 1.291 282 L HN 0.839 nan 8.230 nan 0.000 0.406 283 D N 4.884 125.224 120.400 -0.100 0.000 2.696 283 D HA 0.286 4.926 4.640 0.000 0.000 0.251 283 D C 0.240 176.339 176.300 -0.335 0.000 1.188 283 D CA -0.428 53.406 54.000 -0.277 0.000 0.876 283 D CB 1.927 42.442 40.800 -0.475 0.000 1.334 283 D HN 0.488 nan 8.370 nan 0.000 0.540 284 M N 1.591 121.058 119.600 -0.221 0.000 2.509 284 M HA 0.024 4.504 4.480 0.000 0.000 0.250 284 M C 0.133 176.420 176.300 -0.022 0.000 1.132 284 M CA 0.284 55.529 55.300 -0.091 0.000 1.080 284 M CB -0.656 31.925 32.600 -0.031 0.000 1.408 284 M HN 0.492 nan 8.290 nan 0.000 0.484 285 H N 0.063 119.145 119.070 0.020 0.000 2.770 285 H HA -0.154 4.402 4.556 -0.000 0.000 0.309 285 H C 1.333 176.669 175.328 0.013 0.000 1.206 285 H CA 0.897 56.955 56.048 0.016 0.000 1.147 285 H CB -2.216 27.557 29.762 0.018 0.000 1.422 285 H HN 0.636 nan 8.280 nan 0.000 0.420 286 G N -0.561 108.279 108.800 0.067 0.000 2.186 286 G HA2 -0.366 3.594 3.960 0.000 0.000 0.266 286 G HA3 -0.366 3.594 3.960 0.000 0.000 0.266 286 G C 0.467 175.395 174.900 0.046 0.000 0.982 286 G CA 0.973 46.101 45.100 0.047 0.000 0.670 286 G HN 0.405 nan 8.290 nan 0.000 0.533 287 K N 0.242 120.678 120.400 0.060 0.000 2.185 287 K HA 0.373 4.693 4.320 0.000 0.000 0.271 287 K C 0.757 177.375 176.600 0.029 0.000 1.013 287 K CA -0.778 55.538 56.287 0.049 0.000 0.943 287 K CB 1.121 33.662 32.500 0.068 0.000 0.998 287 K HN 0.462 nan 8.250 nan 0.000 0.468 288 R N 3.113 123.627 120.500 0.023 0.000 2.490 288 R HA 0.155 4.495 4.340 0.000 0.000 0.280 288 R C -2.004 174.306 176.300 0.015 0.000 1.077 288 R CA -1.127 54.982 56.100 0.014 0.000 1.065 288 R CB 0.384 30.692 30.300 0.014 0.000 1.003 288 R HN 0.356 nan 8.270 nan 0.000 0.470 289 P HA 0.077 nan 4.420 nan 0.000 0.272 289 P C -1.267 176.043 177.300 0.017 0.000 1.223 289 P CA -0.116 62.988 63.100 0.008 0.000 0.784 289 P CB 0.739 32.429 31.700 -0.016 0.000 0.923 290 K N 1.007 121.423 120.400 0.027 0.000 2.156 290 K HA 0.481 4.801 4.320 0.000 0.000 0.271 290 K C 0.235 176.855 176.600 0.034 0.000 0.995 290 K CA -0.637 55.668 56.287 0.031 0.000 0.890 290 K CB 1.380 33.903 32.500 0.037 0.000 1.073 290 K HN 0.557 nan 8.250 nan 0.000 0.454 291 A N 2.295 125.132 122.820 0.028 0.000 2.531 291 A HA 0.258 4.578 4.320 0.000 0.000 0.236 291 A C 0.377 177.982 177.584 0.035 0.000 1.062 291 A CA -0.219 51.834 52.037 0.026 0.000 0.760 291 A CB -0.079 18.930 19.000 0.015 0.000 0.995 291 A HN 0.546 nan 8.150 nan 0.000 0.501 292 V N -0.310 119.632 119.914 0.046 0.000 3.074 292 V HA 0.878 4.998 4.120 0.000 0.000 0.314 292 V C -0.097 175.997 176.094 0.000 0.000 1.117 292 V CA -0.601 61.724 62.300 0.043 0.000 1.014 292 V CB 1.785 33.669 31.823 0.101 0.000 1.057 292 V HN 0.773 nan 8.190 nan 0.000 0.438 293 T N 1.921 116.456 114.554 -0.031 0.000 2.779 293 T HA 0.736 5.086 4.350 0.000 0.000 0.280 293 T C -0.553 174.062 174.700 -0.141 0.000 0.987 293 T CA -0.262 61.797 62.100 -0.069 0.000 0.966 293 T CB 1.310 70.149 68.868 -0.048 0.000 0.933 293 T HN 0.747 nan 8.240 nan 0.000 0.442 294 V N 3.493 123.281 119.914 -0.210 0.000 2.914 294 V HA 0.701 4.821 4.120 0.000 0.000 0.314 294 V C -0.234 175.703 176.094 -0.262 0.000 1.084 294 V CA -1.079 60.983 62.300 -0.395 0.000 0.963 294 V CB 2.292 33.636 31.823 -0.797 0.000 1.025 294 V HN 0.782 nan 8.190 nan 0.000 0.432 295 R N 1.966 122.323 120.500 -0.238 0.000 2.631 295 R HA 0.406 4.746 4.340 0.000 0.000 0.289 295 R C -0.226 176.066 176.300 -0.014 0.000 1.303 295 R CA -0.250 55.798 56.100 -0.087 0.000 0.989 295 R CB 1.408 31.679 30.300 -0.049 0.000 1.208 295 R HN 0.951 nan 8.270 nan 0.000 0.461 296 T N 1.003 115.589 114.554 0.053 0.000 2.903 296 T HA 0.600 4.950 4.350 0.000 0.000 0.314 296 T C 0.287 175.039 174.700 0.086 0.000 1.078 296 T CA 0.139 62.344 62.100 0.176 0.000 1.114 296 T CB 1.474 70.460 68.868 0.196 0.000 0.987 296 T HN 0.714 nan 8.240 nan 0.000 0.548 297 A N 2.775 125.646 122.820 0.085 0.000 2.544 297 A HA 0.706 5.026 4.320 0.000 0.000 0.291 297 A C -3.148 174.454 177.584 0.029 0.000 1.055 297 A CA -1.682 50.372 52.037 0.029 0.000 0.651 297 A CB 0.143 19.153 19.000 0.017 0.000 1.296 297 A HN 0.659 nan 8.150 nan 0.000 0.431 298 P HA 0.230 nan 4.420 nan 0.000 0.268 298 P C -0.311 177.022 177.300 0.055 0.000 1.208 298 P CA 0.398 63.518 63.100 0.033 0.000 0.777 298 P CB 0.149 31.858 31.700 0.015 0.000 0.875 299 H N 3.920 122.984 119.070 -0.009 0.000 2.948 299 H HA 0.011 4.567 4.556 0.000 0.000 0.351 299 H C -1.207 174.117 175.328 -0.008 0.000 1.079 299 H CA -0.649 55.392 56.048 -0.012 0.000 1.407 299 H CB 0.220 29.975 29.762 -0.011 0.000 1.373 299 H HN 0.321 nan 8.280 nan 0.000 0.605 300 P HA 0.127 nan 4.420 nan 0.000 0.255 300 P C -0.377 176.691 177.300 -0.386 0.000 1.357 300 P CA 0.194 62.698 63.100 -0.992 0.000 0.839 300 P CB -0.070 31.209 31.700 -0.701 0.000 1.356 301 A N 0.483 123.201 122.820 -0.171 0.000 2.262 301 A HA 0.248 4.568 4.320 0.000 0.000 0.273 301 A C -0.204 177.385 177.584 0.008 0.000 1.202 301 A CA -0.546 51.463 52.037 -0.046 0.000 0.811 301 A CB -0.567 18.433 19.000 0.000 0.000 1.159 301 A HN 0.173 nan 8.150 nan 0.000 0.505 302 F N 1.754 121.657 119.950 -0.078 0.000 2.571 302 F HA 0.279 4.806 4.527 -0.000 0.000 0.384 302 F C -1.654 174.121 175.800 -0.042 0.000 1.058 302 F CA -1.492 56.452 58.000 -0.094 0.000 1.200 302 F CB 0.601 39.511 39.000 -0.151 0.000 1.077 302 F HN 0.250 nan 8.300 nan 0.000 0.558 303 P HA -0.012 nan 4.420 nan 0.000 0.276 303 P C 0.315 177.590 177.300 -0.043 0.000 1.235 303 P CA -0.085 62.914 63.100 -0.168 0.000 0.772 303 P CB 1.562 33.143 31.700 -0.198 0.000 0.871 304 T N 2.265 116.892 114.554 0.122 0.000 2.881 304 T HA -0.160 4.190 4.350 0.000 0.000 0.270 304 T C 1.697 176.504 174.700 0.179 0.000 1.068 304 T CA 1.683 63.912 62.100 0.215 0.000 1.131 304 T CB -0.588 68.435 68.868 0.258 0.000 0.871 304 T HN 0.444 nan 8.240 nan 0.000 0.479 305 A N 0.488 123.368 122.820 0.100 0.000 2.216 305 A HA 0.184 4.504 4.320 0.000 0.000 0.214 305 A C 2.036 179.652 177.584 0.054 0.000 1.160 305 A CA 0.863 52.937 52.037 0.062 0.000 0.725 305 A CB -0.326 18.691 19.000 0.028 0.000 0.784 305 A HN 0.518 nan 8.150 nan 0.000 0.472 306 M N -1.254 118.374 119.600 0.046 0.000 2.313 306 M HA 0.085 4.565 4.480 0.000 0.000 0.273 306 M C 1.806 178.355 176.300 0.415 0.000 1.049 306 M CA 0.318 55.693 55.300 0.125 0.000 1.004 306 M CB -0.091 32.417 32.600 -0.153 0.000 1.461 306 M HN 0.597 nan 8.290 nan 0.000 0.514 307 Q N 1.126 121.183 119.800 0.428 0.000 2.061 307 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 307 Q C 1.749 177.921 176.000 0.288 0.000 0.984 307 Q CA 2.259 58.336 55.803 0.457 0.000 0.846 307 Q CB 0.045 29.011 28.738 0.380 0.000 0.902 307 Q HN 0.461 nan 8.270 nan 0.000 0.421 308 A N 0.573 123.424 122.820 0.052 0.000 1.902 308 A HA -0.252 4.068 4.320 0.000 0.000 0.217 308 A C 2.013 179.532 177.584 -0.107 0.000 1.181 308 A CA 1.824 53.634 52.037 -0.379 0.000 0.623 308 A CB -0.569 18.052 19.000 -0.632 0.000 0.818 308 A HN 0.489 nan 8.150 nan 0.000 0.443 309 Q N -1.211 118.612 119.800 0.039 0.000 2.084 309 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 309 Q C 1.639 177.683 176.000 0.072 0.000 0.978 309 Q CA 1.695 57.527 55.803 0.048 0.000 0.844 309 Q CB -0.461 28.326 28.738 0.082 0.000 0.898 309 Q HN 0.689 nan 8.270 nan 0.000 0.426 310 F N 0.003 120.026 119.950 0.121 0.000 2.407 310 F HA -0.088 4.439 4.527 0.000 0.000 0.299 310 F C 2.106 177.941 175.800 0.059 0.000 1.097 310 F CA 1.065 59.135 58.000 0.116 0.000 1.422 310 F CB -0.249 38.859 39.000 0.180 0.000 1.067 310 F HN 0.020 nan 8.300 nan 0.000 0.539 311 T N 0.539 115.229 114.554 0.227 0.000 2.746 311 T HA -0.198 4.152 4.350 0.000 0.000 0.267 311 T C 2.023 176.773 174.700 0.083 0.000 1.039 311 T CA 1.341 63.539 62.100 0.165 0.000 1.142 311 T CB -0.547 68.517 68.868 0.327 0.000 0.866 311 T HN 0.144 nan 8.240 nan 0.000 0.444 312 L N 1.409 122.670 121.223 0.064 0.000 1.989 312 L HA 0.007 4.347 4.340 0.000 0.000 0.211 312 L C 2.263 179.113 176.870 -0.034 0.000 1.071 312 L CA 1.590 56.434 54.840 0.008 0.000 0.749 312 L CB -1.025 41.022 42.059 -0.020 0.000 0.890 312 L HN 0.269 nan 8.230 nan 0.000 0.431 313 L N -0.293 120.882 121.223 -0.081 0.000 2.021 313 L HA -0.317 4.023 4.340 0.000 0.000 0.215 313 L C 2.293 179.131 176.870 -0.053 0.000 1.074 313 L CA 2.055 56.823 54.840 -0.119 0.000 0.760 313 L CB -0.588 41.302 42.059 -0.282 0.000 0.889 313 L HN 0.433 nan 8.230 nan 0.000 0.433 314 N N -0.097 118.594 118.700 -0.015 0.000 2.166 314 N HA -0.156 4.584 4.740 0.000 0.000 0.186 314 N C 1.815 177.314 175.510 -0.018 0.000 1.019 314 N CA 1.384 54.431 53.050 -0.005 0.000 0.856 314 N CB -0.384 38.103 38.487 -0.000 0.000 0.993 314 N HN 0.387 nan 8.380 nan 0.000 0.426 315 L N 0.473 121.682 121.223 -0.022 0.000 2.450 315 L HA -0.053 4.287 4.340 0.000 0.000 0.224 315 L C 1.323 178.178 176.870 -0.024 0.000 1.149 315 L CA 0.595 55.419 54.840 -0.028 0.000 0.816 315 L CB -0.058 41.980 42.059 -0.035 0.000 0.932 315 L HN 0.088 nan 8.230 nan 0.000 0.449 316 V N -4.933 114.967 119.914 -0.022 0.000 3.159 316 V HA 0.550 4.670 4.120 0.000 0.000 0.333 316 V C 0.606 176.695 176.094 -0.009 0.000 1.424 316 V CA -0.262 62.026 62.300 -0.019 0.000 1.125 316 V CB -0.163 31.643 31.823 -0.028 0.000 1.075 316 V HN 0.089 nan 8.190 nan 0.000 0.482 317 A N 0.560 123.378 122.820 -0.003 0.000 2.248 317 A HA 0.796 5.116 4.320 0.000 0.000 0.316 317 A C -0.116 177.479 177.584 0.018 0.000 1.101 317 A CA -0.526 51.513 52.037 0.004 0.000 0.875 317 A CB 1.105 20.107 19.000 0.003 0.000 1.207 317 A HN 0.438 nan 8.150 nan 0.000 0.504 318 E N -0.220 119.993 120.200 0.021 0.000 2.152 318 E HA 0.489 4.839 4.350 0.000 0.000 0.285 318 E C 0.403 177.021 176.600 0.031 0.000 1.043 318 E CA 1.290 57.706 56.400 0.028 0.000 0.839 318 E CB 0.007 29.722 29.700 0.025 0.000 1.069 318 E HN 1.619 nan 8.360 nan 0.000 0.399 319 G N 2.735 111.560 108.800 0.041 0.000 2.422 319 G HA2 -0.119 3.841 3.960 0.000 0.000 0.607 319 G HA3 -0.119 3.841 3.960 0.000 0.000 0.607 319 G C -0.730 174.200 174.900 0.051 0.000 1.270 319 G CA -0.495 44.632 45.100 0.044 0.000 0.992 319 G HN 0.500 nan 8.290 nan 0.000 0.499 320 T N 1.215 115.796 114.554 0.045 0.000 2.753 320 T HA 0.632 4.982 4.350 0.000 0.000 0.297 320 T C 0.682 175.365 174.700 -0.029 0.000 0.981 320 T CA 0.545 62.656 62.100 0.018 0.000 0.956 320 T CB 1.114 70.022 68.868 0.066 0.000 0.936 320 T HN 1.399 nan 8.240 nan 0.000 0.463 321 G N 1.845 110.605 108.800 -0.066 0.000 2.371 321 G HA2 0.607 4.567 3.960 0.000 0.000 0.326 321 G HA3 0.607 4.567 3.960 0.000 0.000 0.326 321 G C -0.980 173.864 174.900 -0.094 0.000 1.127 321 G CA -0.478 44.588 45.100 -0.057 0.000 0.885 321 G HN 0.627 nan 8.290 nan 0.000 0.477 322 V N 2.829 122.699 119.914 -0.073 0.000 2.531 322 V HA 0.461 4.581 4.120 0.000 0.000 0.301 322 V C -0.292 175.759 176.094 -0.072 0.000 1.034 322 V CA -0.552 61.699 62.300 -0.081 0.000 0.865 322 V CB 1.507 33.294 31.823 -0.059 0.000 0.995 322 V HN 0.629 nan 8.190 nan 0.000 0.424 323 I N 3.489 124.019 120.570 -0.067 0.000 2.436 323 I HA 0.485 4.655 4.170 0.000 0.000 0.289 323 I C -0.158 176.004 176.117 0.074 0.000 1.010 323 I CA -0.198 61.084 61.300 -0.029 0.000 1.098 323 I CB 2.264 40.265 38.000 0.001 0.000 1.266 323 I HN 0.508 nan 8.210 nan 0.000 0.434 324 T N 4.235 118.829 114.554 0.067 0.000 2.779 324 T HA 0.299 4.649 4.350 0.000 0.000 0.280 324 T C -0.470 174.303 174.700 0.121 0.000 0.987 324 T CA -0.487 61.687 62.100 0.124 0.000 0.966 324 T CB 1.534 70.431 68.868 0.047 0.000 0.933 324 T HN 0.443 nan 8.240 nan 0.000 0.442 325 E N 1.884 122.172 120.200 0.145 0.000 2.133 325 E HA 0.400 4.750 4.350 0.000 0.000 0.274 325 E C 0.787 177.372 176.600 -0.025 0.000 0.930 325 E CA -0.619 55.804 56.400 0.039 0.000 0.770 325 E CB 0.814 30.443 29.700 -0.118 0.000 1.104 325 E HN 0.651 nan 8.360 nan 0.000 0.403 326 T N 2.096 116.637 114.554 -0.022 0.000 3.044 326 T HA 0.200 4.550 4.350 0.000 0.000 0.260 326 T C 1.058 175.688 174.700 -0.117 0.000 1.019 326 T CA -0.157 61.909 62.100 -0.056 0.000 0.921 326 T CB -0.019 68.826 68.868 -0.038 0.000 1.053 326 T HN 0.400 nan 8.240 nan 0.000 0.533 327 I N -0.177 120.298 120.570 -0.158 0.000 2.729 327 I HA 0.410 4.580 4.170 0.000 0.000 0.256 327 I C 0.093 175.832 176.117 -0.629 0.000 1.115 327 I CA -0.008 61.057 61.300 -0.393 0.000 1.446 327 I CB -0.574 37.167 38.000 -0.432 0.000 1.176 327 I HN 0.205 nan 8.210 nan 0.000 0.446 328 F N 2.206 122.117 119.950 -0.066 0.000 2.507 328 F HA 0.250 4.777 4.527 0.000 0.000 0.325 328 F C 1.576 177.295 175.800 -0.135 0.000 1.116 328 F CA -0.783 57.166 58.000 -0.083 0.000 0.930 328 F CB 1.322 40.279 39.000 -0.072 0.000 1.146 328 F HN -0.008 nan 8.300 nan 0.000 0.447 329 E N 1.034 121.272 120.200 0.064 0.000 2.347 329 E HA -0.183 4.167 4.350 0.000 0.000 0.196 329 E C -0.133 176.427 176.600 -0.066 0.000 1.008 329 E CA 0.995 57.379 56.400 -0.027 0.000 0.852 329 E CB 0.000 29.695 29.700 -0.009 0.000 0.783 329 E HN 0.687 nan 8.360 nan 0.000 0.505 330 N N 0.350 119.027 118.700 -0.039 0.000 2.672 330 N HA 0.112 4.852 4.740 0.000 0.000 0.295 330 N C -0.562 174.906 175.510 -0.070 0.000 1.924 330 N CA -0.179 52.834 53.050 -0.063 0.000 0.851 330 N CB 0.478 38.953 38.487 -0.020 0.000 1.281 330 N HN -0.046 nan 8.380 nan 0.000 0.494 331 R N 0.884 121.286 120.500 -0.163 0.000 2.935 331 R HA 0.254 4.594 4.340 0.000 0.000 0.354 331 R C -0.521 175.872 176.300 0.155 0.000 1.206 331 R CA -0.136 55.942 56.100 -0.036 0.000 1.082 331 R CB -0.089 30.215 30.300 0.005 0.000 1.431 331 R HN 0.277 nan 8.270 nan 0.000 0.582 332 F N -0.325 119.671 119.950 0.076 0.000 2.775 332 F HA 0.159 4.686 4.527 -0.000 0.000 0.313 332 F C 1.282 176.951 175.800 -0.218 0.000 1.121 332 F CA -0.490 57.449 58.000 -0.103 0.000 1.206 332 F CB 0.703 39.644 39.000 -0.097 0.000 1.052 332 F HN 0.087 nan 8.300 nan 0.000 0.524 333 M N 0.210 119.893 119.600 0.138 0.000 2.446 333 M HA -0.185 4.295 4.480 0.000 0.000 0.263 333 M C 2.336 178.652 176.300 0.027 0.000 1.066 333 M CA 1.308 56.643 55.300 0.059 0.000 1.087 333 M CB -0.553 32.077 32.600 0.051 0.000 1.406 333 M HN 0.313 nan 8.290 nan 0.000 0.459 334 H N -1.233 117.862 119.070 0.042 0.000 2.470 334 H HA 0.066 4.622 4.556 -0.000 0.000 0.289 334 H C 2.056 177.385 175.328 0.003 0.000 1.033 334 H CA 0.932 56.985 56.048 0.009 0.000 1.331 334 H CB -1.183 28.587 29.762 0.012 0.000 1.414 334 H HN 0.216 nan 8.280 nan 0.000 0.545 335 V N 2.508 122.130 119.914 -0.486 0.000 2.252 335 V HA -0.192 3.928 4.120 0.000 0.000 0.249 335 V C -0.267 175.747 176.094 -0.135 0.000 1.056 335 V CA 2.397 64.510 62.300 -0.311 0.000 1.022 335 V CB -1.417 30.179 31.823 -0.378 0.000 0.641 335 V HN 0.407 nan 8.190 nan 0.000 0.445 336 P HA -0.109 nan 4.420 nan 0.000 0.218 336 P C 1.558 178.839 177.300 -0.031 0.000 1.149 336 P CA 1.124 64.196 63.100 -0.047 0.000 0.817 336 P CB -0.010 31.673 31.700 -0.027 0.000 0.785 337 E N -0.423 119.763 120.200 -0.024 0.000 2.072 337 E HA -0.064 4.286 4.350 0.000 0.000 0.190 337 E C 2.120 178.712 176.600 -0.013 0.000 0.982 337 E CA 0.921 57.316 56.400 -0.009 0.000 0.803 337 E CB -0.939 28.765 29.700 0.005 0.000 0.755 337 E HN 0.314 nan 8.360 nan 0.000 0.453 338 L N 0.578 121.792 121.223 -0.015 0.000 2.141 338 L HA -0.102 4.238 4.340 0.000 0.000 0.209 338 L C 2.484 179.326 176.870 -0.048 0.000 1.094 338 L CA 0.649 55.475 54.840 -0.023 0.000 0.763 338 L CB -0.345 41.707 42.059 -0.012 0.000 0.908 338 L HN 0.074 nan 8.230 nan 0.000 0.437 339 I N -0.500 120.041 120.570 -0.048 0.000 2.361 339 I HA -0.276 3.894 4.170 0.000 0.000 0.251 339 I C 2.615 178.709 176.117 -0.038 0.000 1.133 339 I CA 1.100 62.371 61.300 -0.049 0.000 1.413 339 I CB -0.251 37.735 38.000 -0.023 0.000 1.073 339 I HN 0.209 nan 8.210 nan 0.000 0.424 340 R N 0.221 120.705 120.500 -0.026 0.000 2.148 340 R HA -0.054 4.286 4.340 0.000 0.000 0.227 340 R C 1.866 178.152 176.300 -0.024 0.000 1.103 340 R CA 1.076 57.166 56.100 -0.017 0.000 0.983 340 R CB -0.100 30.195 30.300 -0.009 0.000 0.874 340 R HN 0.354 nan 8.270 nan 0.000 0.451 341 M N -0.790 118.789 119.600 -0.036 0.000 2.568 341 M HA 0.146 4.626 4.480 0.000 0.000 0.226 341 M C 0.674 176.932 176.300 -0.069 0.000 1.148 341 M CA 0.470 55.746 55.300 -0.041 0.000 1.007 341 M CB 1.193 33.773 32.600 -0.035 0.000 1.651 341 M HN 0.423 nan 8.290 nan 0.000 0.488 342 G N 0.320 109.062 108.800 -0.096 0.000 2.176 342 G HA2 -0.182 3.778 3.960 0.000 0.000 0.232 342 G HA3 -0.182 3.778 3.960 0.000 0.000 0.232 342 G C 0.196 174.867 174.900 -0.382 0.000 0.986 342 G CA -0.068 44.927 45.100 -0.174 0.000 0.643 342 G HN 0.652 nan 8.290 nan 0.000 0.522 343 A N 0.608 123.261 122.820 -0.279 0.000 2.386 343 A HA 0.635 4.955 4.320 0.000 0.000 0.248 343 A C 0.104 177.473 177.584 -0.359 0.000 1.082 343 A CA 0.004 51.861 52.037 -0.300 0.000 0.789 343 A CB 0.238 19.159 19.000 -0.131 0.000 1.025 343 A HN 0.520 nan 8.150 nan 0.000 0.490 344 H N 0.014 119.102 119.070 0.030 0.000 2.589 344 H HA 0.703 5.259 4.556 -0.000 0.000 0.335 344 H C -0.148 175.229 175.328 0.083 0.000 1.019 344 H CA 0.279 56.368 56.048 0.069 0.000 1.213 344 H CB 1.403 31.226 29.762 0.102 0.000 1.472 344 H HN 0.967 nan 8.280 nan 0.000 0.508 345 A N 2.706 125.623 122.820 0.161 0.000 2.608 345 A HA 0.592 4.912 4.320 0.000 0.000 0.292 345 A C -1.294 176.297 177.584 0.011 0.000 1.066 345 A CA -0.849 51.199 52.037 0.019 0.000 0.676 345 A CB 1.784 20.721 19.000 -0.105 0.000 1.277 345 A HN 0.543 nan 8.150 nan 0.000 0.413 346 E N 0.206 120.382 120.200 -0.040 0.000 2.293 346 E HA 0.657 5.007 4.350 0.000 0.000 0.270 346 E C -1.193 175.353 176.600 -0.089 0.000 0.879 346 E CA -0.272 56.112 56.400 -0.027 0.000 0.756 346 E CB 2.196 31.914 29.700 0.030 0.000 1.208 346 E HN 0.531 nan 8.360 nan 0.000 0.428 347 I N 2.373 122.902 120.570 -0.068 0.000 2.336 347 I HA 0.294 4.464 4.170 0.000 0.000 0.292 347 I C -0.399 175.727 176.117 0.015 0.000 0.991 347 I CA -0.629 60.635 61.300 -0.061 0.000 1.227 347 I CB 1.084 39.077 38.000 -0.012 0.000 1.366 347 I HN 0.245 nan 8.210 nan 0.000 0.466 348 E N 5.244 125.466 120.200 0.037 0.000 2.235 348 E HA 0.319 4.669 4.350 0.000 0.000 0.252 348 E C 0.012 176.664 176.600 0.087 0.000 0.886 348 E CA -0.130 56.300 56.400 0.050 0.000 0.767 348 E CB 1.760 31.477 29.700 0.029 0.000 1.205 348 E HN 0.735 nan 8.360 nan 0.000 0.421 349 S N 3.806 119.559 115.700 0.087 0.000 4.114 349 S HA -0.293 4.177 4.470 0.000 0.000 0.618 349 S C 0.698 175.385 174.600 0.146 0.000 1.937 349 S CA 1.863 60.115 58.200 0.086 0.000 4.228 349 S CB -1.018 62.216 63.200 0.056 0.000 0.216 349 S HN 0.754 nan 8.310 nan 0.000 0.528 350 N N 2.197 120.972 118.700 0.125 0.000 2.320 350 N HA 0.229 4.969 4.740 0.000 0.000 0.237 350 N C -0.123 175.587 175.510 0.333 0.000 1.129 350 N CA 0.848 53.983 53.050 0.141 0.000 0.854 350 N CB 0.200 38.691 38.487 0.008 0.000 1.083 350 N HN 0.868 nan 8.380 nan 0.000 0.504 351 T N -1.936 112.843 114.554 0.376 0.000 2.916 351 T HA 0.523 4.873 4.350 0.000 0.000 0.305 351 T C -0.927 173.780 174.700 0.011 0.000 1.119 351 T CA -0.660 61.596 62.100 0.260 0.000 1.008 351 T CB 1.714 70.643 68.868 0.101 0.000 1.129 351 T HN -0.028 nan 8.240 nan 0.000 0.480 352 V N 3.184 122.947 119.914 -0.252 0.000 2.398 352 V HA 0.593 4.713 4.120 0.000 0.000 0.286 352 V C -0.121 175.825 176.094 -0.247 0.000 1.026 352 V CA -1.143 60.909 62.300 -0.415 0.000 0.868 352 V CB 1.072 32.477 31.823 -0.696 0.000 0.982 352 V HN 0.808 nan 8.190 nan 0.000 0.443 353 I N 3.400 123.838 120.570 -0.220 0.000 2.312 353 I HA 0.346 4.516 4.170 0.000 0.000 0.291 353 I C 0.129 175.998 176.117 -0.414 0.000 1.031 353 I CA -0.021 61.127 61.300 -0.254 0.000 1.293 353 I CB 0.762 38.655 38.000 -0.178 0.000 1.403 353 I HN 0.654 nan 8.210 nan 0.000 0.484 354 C N 6.276 125.332 119.300 -0.407 0.000 2.341 354 C HA 0.440 4.900 4.460 0.000 0.000 0.338 354 C C 0.344 175.049 174.990 -0.475 0.000 1.257 354 C CA -0.553 58.243 59.018 -0.370 0.000 1.883 354 C CB 0.431 28.065 27.740 -0.176 0.000 2.334 354 C HN 0.611 nan 8.230 nan 0.000 0.524 355 H N 1.521 120.604 119.070 0.022 0.000 2.736 355 H HA 0.282 4.838 4.556 0.000 0.000 0.271 355 H C 0.626 175.988 175.328 0.058 0.000 1.184 355 H CA -0.053 56.021 56.048 0.044 0.000 1.378 355 H CB 0.792 30.592 29.762 0.064 0.000 1.428 355 H HN 0.947 nan 8.280 nan 0.000 0.500 356 G N 1.743 110.602 108.800 0.098 0.000 2.474 356 G HA2 0.253 4.213 3.960 0.000 0.000 0.233 356 G HA3 0.253 4.213 3.960 0.000 0.000 0.233 356 G C 0.483 175.433 174.900 0.083 0.000 1.278 356 G CA 0.015 45.153 45.100 0.062 0.000 0.861 356 G HN 0.431 nan 8.290 nan 0.000 0.567 357 V N 0.041 119.981 119.914 0.044 0.000 3.074 357 V HA 0.654 4.774 4.120 0.000 0.000 0.314 357 V C 1.077 177.181 176.094 0.017 0.000 1.117 357 V CA -0.472 61.854 62.300 0.043 0.000 1.014 357 V CB 1.881 33.707 31.823 0.005 0.000 1.057 357 V HN 0.757 nan 8.190 nan 0.000 0.438 358 E N 2.138 122.350 120.200 0.020 0.000 2.005 358 E HA -0.052 4.298 4.350 0.000 0.000 0.198 358 E C 0.357 176.956 176.600 -0.001 0.000 1.010 358 E CA 1.924 58.331 56.400 0.011 0.000 0.825 358 E CB 0.062 29.771 29.700 0.015 0.000 0.769 358 E HN 0.809 nan 8.360 nan 0.000 0.456 359 K N -0.489 119.907 120.400 -0.006 0.000 2.435 359 K HA 0.468 4.788 4.320 0.000 0.000 0.251 359 K C -0.998 175.585 176.600 -0.028 0.000 0.954 359 K CA -0.647 55.632 56.287 -0.014 0.000 0.820 359 K CB 2.163 34.658 32.500 -0.009 0.000 1.292 359 K HN -0.003 nan 8.250 nan 0.000 0.436 360 L N 0.983 122.187 121.223 -0.032 0.000 2.375 360 L HA 0.425 4.765 4.340 0.000 0.000 0.268 360 L C -0.224 176.628 176.870 -0.030 0.000 1.058 360 L CA -0.713 54.101 54.840 -0.043 0.000 0.803 360 L CB 1.835 43.869 42.059 -0.042 0.000 1.212 360 L HN 0.624 nan 8.230 nan 0.000 0.451 361 S N 0.049 115.730 115.700 -0.031 0.000 2.451 361 S HA 0.475 4.945 4.470 0.000 0.000 0.301 361 S C 0.196 174.787 174.600 -0.016 0.000 1.116 361 S CA -0.708 57.481 58.200 -0.019 0.000 1.093 361 S CB 1.663 64.853 63.200 -0.016 0.000 1.017 361 S HN 0.768 nan 8.310 nan 0.000 0.482 362 G N 1.413 110.207 108.800 -0.010 0.000 2.491 362 G HA2 0.514 4.474 3.960 0.000 0.000 0.238 362 G HA3 0.514 4.474 3.960 0.000 0.000 0.238 362 G C -0.203 174.695 174.900 -0.003 0.000 1.277 362 G CA 0.156 45.253 45.100 -0.005 0.000 0.851 362 G HN 1.030 nan 8.290 nan 0.000 0.573 363 A N 1.596 124.416 122.820 0.000 0.000 2.540 363 A HA 0.650 4.970 4.320 0.000 0.000 0.291 363 A C -0.715 176.873 177.584 0.007 0.000 1.083 363 A CA -0.779 51.259 52.037 0.002 0.000 0.650 363 A CB 0.756 19.755 19.000 -0.002 0.000 1.292 363 A HN 0.646 nan 8.150 nan 0.000 0.435 364 Q N 0.528 120.333 119.800 0.008 0.000 2.314 364 Q HA 0.497 4.837 4.340 0.000 0.000 0.257 364 Q C -0.145 175.860 176.000 0.008 0.000 0.975 364 Q CA -0.476 55.334 55.803 0.012 0.000 0.933 364 Q CB 1.348 30.094 28.738 0.013 0.000 1.195 364 Q HN 0.937 nan 8.270 nan 0.000 0.426 365 V N -0.124 119.795 119.914 0.008 0.000 3.074 365 V HA 0.707 4.827 4.120 0.000 0.000 0.314 365 V C -0.714 175.381 176.094 0.000 0.000 1.117 365 V CA -1.292 61.010 62.300 0.003 0.000 1.014 365 V CB 2.254 34.077 31.823 0.001 0.000 1.057 365 V HN 0.828 nan 8.190 nan 0.000 0.438 366 M N 2.715 122.312 119.600 -0.004 0.000 2.190 366 M HA 0.792 5.272 4.480 0.000 0.000 0.312 366 M C -0.090 176.190 176.300 -0.033 0.000 0.990 366 M CA -0.620 54.674 55.300 -0.010 0.000 0.927 366 M CB 1.463 34.065 32.600 0.004 0.000 1.571 366 M HN 1.225 nan 8.290 nan 0.000 0.427 367 A N 2.902 125.687 122.820 -0.058 0.000 2.477 367 A HA 0.407 4.727 4.320 0.000 0.000 0.246 367 A C 0.865 178.338 177.584 -0.185 0.000 1.078 367 A CA 0.302 52.267 52.037 -0.121 0.000 0.770 367 A CB -0.061 18.859 19.000 -0.133 0.000 1.011 367 A HN 0.961 nan 8.150 nan 0.000 0.494 368 T N -1.478 112.893 114.554 -0.306 0.000 2.955 368 T HA 0.359 4.709 4.350 0.000 0.000 0.251 368 T C 0.030 174.300 174.700 -0.717 0.000 1.002 368 T CA 0.662 62.549 62.100 -0.354 0.000 0.970 368 T CB -0.382 68.401 68.868 -0.141 0.000 1.091 368 T HN 0.872 nan 8.240 nan 0.000 0.495 369 D N -0.808 119.131 120.400 -0.768 0.000 2.692 369 D HA 0.390 5.030 4.640 0.000 0.000 0.290 369 D C 0.687 176.765 176.300 -0.370 0.000 1.281 369 D CA -0.932 52.695 54.000 -0.623 0.000 0.804 369 D CB 0.704 41.333 40.800 -0.285 0.000 1.331 369 D HN -0.103 nan 8.370 nan 0.000 0.432 370 L N 0.547 121.683 121.223 -0.145 0.000 1.963 370 L HA -0.130 4.210 4.340 0.000 0.000 0.220 370 L C 1.980 178.861 176.870 0.018 0.000 1.076 370 L CA 1.936 56.776 54.840 -0.001 0.000 0.772 370 L CB -0.668 41.416 42.059 0.041 0.000 0.892 370 L HN 0.491 nan 8.230 nan 0.000 0.435 371 R N -0.022 120.476 120.500 -0.004 0.000 2.148 371 R HA 0.035 4.375 4.340 0.000 0.000 0.227 371 R C 2.164 178.409 176.300 -0.093 0.000 1.103 371 R CA 1.190 57.292 56.100 0.004 0.000 0.983 371 R CB -1.498 28.798 30.300 -0.007 0.000 0.874 371 R HN 0.592 nan 8.270 nan 0.000 0.451 372 A N 1.327 124.068 122.820 -0.132 0.000 1.898 372 A HA -0.165 4.155 4.320 0.000 0.000 0.216 372 A C 2.365 179.878 177.584 -0.117 0.000 1.181 372 A CA 1.849 53.805 52.037 -0.135 0.000 0.620 372 A CB -0.577 18.381 19.000 -0.069 0.000 0.819 372 A HN 0.444 nan 8.150 nan 0.000 0.442 373 S N 0.481 116.096 115.700 -0.142 0.000 2.370 373 S HA -0.062 4.408 4.470 0.000 0.000 0.226 373 S C 2.110 176.620 174.600 -0.151 0.000 1.033 373 S CA 1.547 59.662 58.200 -0.142 0.000 1.011 373 S CB -0.784 62.327 63.200 -0.149 0.000 0.852 373 S HN 0.943 nan 8.310 nan 0.000 0.457 374 A N 1.598 124.298 122.820 -0.201 0.000 1.933 374 A HA 0.020 4.340 4.320 0.000 0.000 0.218 374 A C 2.475 179.935 177.584 -0.206 0.000 1.175 374 A CA 1.830 53.673 52.037 -0.324 0.000 0.628 374 A CB -1.210 17.469 19.000 -0.536 0.000 0.814 374 A HN 0.576 nan 8.150 nan 0.000 0.444 375 S N -0.037 115.574 115.700 -0.148 0.000 2.368 375 S HA -0.081 4.389 4.470 0.000 0.000 0.225 375 S C 1.804 176.364 174.600 -0.068 0.000 1.030 375 S CA 1.423 59.560 58.200 -0.106 0.000 0.999 375 S CB -0.437 62.696 63.200 -0.112 0.000 0.844 375 S HN 0.522 nan 8.310 nan 0.000 0.459 376 L N 1.002 122.192 121.223 -0.054 0.000 2.093 376 L HA -0.061 4.279 4.340 0.000 0.000 0.208 376 L C 2.296 179.154 176.870 -0.020 0.000 1.085 376 L CA 0.751 55.575 54.840 -0.026 0.000 0.755 376 L CB -0.658 41.388 42.059 -0.022 0.000 0.904 376 L HN 0.207 nan 8.230 nan 0.000 0.435 377 V N 0.189 120.087 119.914 -0.027 0.000 2.358 377 V HA -0.266 3.854 4.120 0.000 0.000 0.246 377 V C 2.398 178.477 176.094 -0.024 0.000 1.047 377 V CA 1.507 63.815 62.300 0.014 0.000 1.035 377 V CB -0.294 31.561 31.823 0.053 0.000 0.658 377 V HN 0.346 nan 8.190 nan 0.000 0.452 378 L N 0.020 121.204 121.223 -0.065 0.000 2.083 378 L HA -0.151 4.189 4.340 0.000 0.000 0.209 378 L C 2.728 179.572 176.870 -0.043 0.000 1.083 378 L CA 1.438 56.239 54.840 -0.065 0.000 0.752 378 L CB -0.824 41.179 42.059 -0.094 0.000 0.899 378 L HN 0.373 nan 8.230 nan 0.000 0.433 379 A N 0.518 123.316 122.820 -0.037 0.000 1.902 379 A HA -0.140 4.180 4.320 0.000 0.000 0.217 379 A C 2.418 179.990 177.584 -0.020 0.000 1.181 379 A CA 1.761 53.782 52.037 -0.027 0.000 0.623 379 A CB -1.244 17.744 19.000 -0.020 0.000 0.818 379 A HN 0.435 nan 8.150 nan 0.000 0.443 380 G N -0.994 107.798 108.800 -0.012 0.000 2.422 380 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 380 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 380 G C 1.535 176.427 174.900 -0.013 0.000 1.146 380 G CA 1.293 46.390 45.100 -0.006 0.000 0.769 380 G HN 0.531 nan 8.290 nan 0.000 0.547 381 C N 0.716 120.005 119.300 -0.018 0.000 2.425 381 C HA 0.016 4.476 4.460 0.000 0.000 0.277 381 C C 2.632 177.611 174.990 -0.018 0.000 1.280 381 C CA 0.919 59.925 59.018 -0.020 0.000 1.744 381 C CB -0.886 26.842 27.740 -0.021 0.000 1.989 381 C HN 0.665 nan 8.230 nan 0.000 0.491 382 I N -1.114 119.445 120.570 -0.020 0.000 3.968 382 I HA 0.381 4.551 4.170 0.000 0.000 0.328 382 I C 1.046 177.153 176.117 -0.017 0.000 1.290 382 I CA -0.115 61.174 61.300 -0.018 0.000 1.163 382 I CB -0.398 37.589 38.000 -0.022 0.000 1.024 382 I HN 0.073 nan 8.210 nan 0.000 0.413 383 A N 1.780 124.590 122.820 -0.018 0.000 2.313 383 A HA 0.287 4.607 4.320 0.000 0.000 0.261 383 A C -0.027 177.550 177.584 -0.013 0.000 1.090 383 A CA -0.179 51.848 52.037 -0.017 0.000 0.807 383 A CB 0.282 19.272 19.000 -0.017 0.000 1.055 383 A HN 0.433 nan 8.150 nan 0.000 0.492 384 E N 0.026 120.219 120.200 -0.012 0.000 2.052 384 E HA 0.480 4.830 4.350 0.000 0.000 0.283 384 E C 0.616 177.212 176.600 -0.007 0.000 1.071 384 E CA 1.248 57.643 56.400 -0.009 0.000 0.851 384 E CB -0.223 29.473 29.700 -0.007 0.000 1.066 384 E HN 1.545 nan 8.360 nan 0.000 0.396 385 G N 3.045 111.841 108.800 -0.006 0.000 2.418 385 G HA2 -0.159 3.801 3.960 0.000 0.000 0.206 385 G HA3 -0.159 3.801 3.960 0.000 0.000 0.206 385 G C -0.593 174.305 174.900 -0.004 0.000 1.202 385 G CA -0.389 44.708 45.100 -0.004 0.000 1.061 385 G HN 0.558 nan 8.290 nan 0.000 0.563 386 T N 1.433 115.987 114.554 -0.001 0.000 2.767 386 T HA 0.673 5.023 4.350 0.000 0.000 0.284 386 T C -0.151 174.553 174.700 0.006 0.000 0.973 386 T CA 0.303 62.404 62.100 0.002 0.000 0.996 386 T CB 1.477 70.348 68.868 0.004 0.000 0.927 386 T HN 0.717 nan 8.240 nan 0.000 0.456 387 T N 2.737 117.297 114.554 0.010 0.000 2.829 387 T HA 0.554 4.904 4.350 0.000 0.000 0.280 387 T C -0.501 174.218 174.700 0.031 0.000 0.999 387 T CA -0.536 61.574 62.100 0.016 0.000 0.983 387 T CB 1.317 70.192 68.868 0.012 0.000 0.968 387 T HN 0.319 nan 8.240 nan 0.000 0.446 388 V N 3.753 123.687 119.914 0.033 0.000 2.376 388 V HA 0.361 4.481 4.120 0.000 0.000 0.287 388 V C -0.254 175.867 176.094 0.044 0.000 1.015 388 V CA -0.788 61.541 62.300 0.048 0.000 0.834 388 V CB 1.625 33.471 31.823 0.039 0.000 1.001 388 V HN 0.725 nan 8.190 nan 0.000 0.428 389 V N 3.989 123.942 119.914 0.064 0.000 2.334 389 V HA 0.283 4.403 4.120 0.000 0.000 0.267 389 V C 0.109 176.200 176.094 -0.004 0.000 1.040 389 V CA -0.374 61.941 62.300 0.026 0.000 0.866 389 V CB 1.275 33.117 31.823 0.031 0.000 1.019 389 V HN 0.898 nan 8.190 nan 0.000 0.468 390 D N 4.136 124.531 120.400 -0.008 0.000 2.339 390 D HA 0.328 4.968 4.640 0.000 0.000 0.245 390 D C 0.817 177.090 176.300 -0.045 0.000 1.115 390 D CA -0.170 53.824 54.000 -0.009 0.000 0.917 390 D CB 0.498 41.306 40.800 0.014 0.000 1.192 390 D HN 0.528 nan 8.370 nan 0.000 0.428 391 R N 1.743 122.223 120.500 -0.032 0.000 3.422 391 R HA -0.188 4.152 4.340 0.000 0.000 0.267 391 R C 0.845 176.949 176.300 -0.327 0.000 1.074 391 R CA 0.608 56.651 56.100 -0.095 0.000 0.718 391 R CB -2.510 27.747 30.300 -0.071 0.000 1.157 391 R HN 0.475 nan 8.270 nan 0.000 0.440 392 I N -1.964 118.432 120.570 -0.289 0.000 3.241 392 I HA -0.141 4.029 4.170 0.000 0.000 0.280 392 I C 2.094 177.996 176.117 -0.359 0.000 1.320 392 I CA 0.602 61.641 61.300 -0.435 0.000 1.413 392 I CB -0.997 36.477 38.000 -0.877 0.000 1.060 392 I HN 0.349 nan 8.210 nan 0.000 0.500 393 Y N -0.052 120.126 120.300 -0.204 0.000 2.315 393 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 393 Y C 2.359 178.172 175.900 -0.144 0.000 1.154 393 Y CA 1.408 59.398 58.100 -0.183 0.000 1.229 393 Y CB -1.675 36.663 38.460 -0.204 0.000 0.980 393 Y HN 0.222 nan 8.280 nan 0.000 0.540 394 H N 0.490 119.209 119.070 -0.585 0.000 2.352 394 H HA -0.172 4.384 4.556 0.000 0.000 0.299 394 H C 2.349 177.609 175.328 -0.114 0.000 1.097 394 H CA 2.001 57.847 56.048 -0.337 0.000 1.311 394 H CB -0.302 29.201 29.762 -0.432 0.000 1.377 394 H HN 0.501 nan 8.280 nan 0.000 0.504 395 I N 1.058 121.615 120.570 -0.022 0.000 2.493 395 I HA -0.199 3.971 4.170 0.000 0.000 0.254 395 I C 1.222 177.419 176.117 0.133 0.000 1.160 395 I CA 1.001 62.325 61.300 0.039 0.000 1.445 395 I CB 0.022 37.954 38.000 -0.113 0.000 1.086 395 I HN 0.078 nan 8.210 nan 0.000 0.433 396 D N 0.436 120.880 120.400 0.074 0.000 2.348 396 D HA -0.107 4.533 4.640 0.000 0.000 0.216 396 D C 2.073 178.438 176.300 0.109 0.000 0.970 396 D CA 0.503 54.565 54.000 0.104 0.000 0.889 396 D CB -0.099 40.748 40.800 0.078 0.000 0.912 396 D HN 0.366 nan 8.370 nan 0.000 0.524 397 R N -0.105 120.462 120.500 0.113 0.000 2.090 397 R HA 0.013 4.353 4.340 0.000 0.000 0.228 397 R C 1.776 178.114 176.300 0.063 0.000 1.110 397 R CA 1.133 57.286 56.100 0.089 0.000 0.973 397 R CB 0.118 30.476 30.300 0.096 0.000 0.869 397 R HN 0.123 nan 8.270 nan 0.000 0.440 398 G N -1.600 107.243 108.800 0.072 0.000 3.342 398 G HA2 0.100 4.060 3.960 0.000 0.000 0.252 398 G HA3 0.100 4.060 3.960 0.000 0.000 0.252 398 G C -0.552 174.205 174.900 -0.238 0.000 1.011 398 G CA -0.190 44.865 45.100 -0.076 0.000 0.869 398 G HN 0.061 nan 8.290 nan 0.000 0.514 399 Y N 0.667 120.993 120.300 0.044 0.000 2.338 399 Y HA 0.412 4.962 4.550 0.000 0.000 0.333 399 Y C -0.042 175.912 175.900 0.089 0.000 0.968 399 Y CA -1.305 56.835 58.100 0.067 0.000 1.123 399 Y CB 1.747 40.241 38.460 0.056 0.000 1.165 399 Y HN 0.066 nan 8.280 nan 0.000 0.452 400 E N 5.364 125.689 120.200 0.207 0.000 2.217 400 E HA 0.179 4.529 4.350 0.000 0.000 0.279 400 E C -0.145 176.571 176.600 0.193 0.000 1.068 400 E CA -0.537 55.959 56.400 0.161 0.000 0.882 400 E CB 0.369 30.133 29.700 0.107 0.000 1.039 400 E HN 0.712 nan 8.360 nan 0.000 0.418 401 R N 3.637 124.240 120.500 0.172 0.000 3.038 401 R HA -0.229 4.111 4.340 0.000 0.000 0.242 401 R C 0.392 176.811 176.300 0.198 0.000 0.866 401 R CA 0.625 56.822 56.100 0.162 0.000 0.601 401 R CB -2.237 28.129 30.300 0.110 0.000 1.107 401 R HN 0.782 nan 8.270 nan 0.000 0.492 402 I N 0.234 120.953 120.570 0.249 0.000 2.546 402 I HA -0.210 3.960 4.170 0.000 0.000 0.255 402 I C 2.472 178.694 176.117 0.175 0.000 1.163 402 I CA 1.599 63.059 61.300 0.267 0.000 1.457 402 I CB -0.013 38.090 38.000 0.171 0.000 1.092 402 I HN 0.650 nan 8.210 nan 0.000 0.434 403 E N 0.831 121.103 120.200 0.119 0.000 2.051 403 E HA -0.283 4.067 4.350 0.000 0.000 0.192 403 E C 1.568 178.152 176.600 -0.027 0.000 0.991 403 E CA 1.901 58.263 56.400 -0.062 0.000 0.799 403 E CB 0.022 29.662 29.700 -0.101 0.000 0.748 403 E HN 0.477 nan 8.360 nan 0.000 0.449 404 D N 0.482 120.896 120.400 0.025 0.000 2.097 404 D HA -0.130 4.510 4.640 0.000 0.000 0.197 404 D C 1.904 178.214 176.300 0.016 0.000 0.984 404 D CA 1.085 55.093 54.000 0.014 0.000 0.826 404 D CB -0.149 40.667 40.800 0.026 0.000 0.973 404 D HN 0.184 nan 8.370 nan 0.000 0.460 405 K N 0.251 120.683 120.400 0.054 0.000 2.057 405 K HA -0.051 4.269 4.320 0.000 0.000 0.207 405 K C 2.319 178.943 176.600 0.040 0.000 1.049 405 K CA 0.577 56.870 56.287 0.009 0.000 0.931 405 K CB -0.133 32.382 32.500 0.026 0.000 0.714 405 K HN 0.151 nan 8.250 nan 0.000 0.440 406 L N 0.435 121.740 121.223 0.137 0.000 2.093 406 L HA -0.132 4.208 4.340 0.000 0.000 0.208 406 L C 2.739 179.625 176.870 0.026 0.000 1.085 406 L CA 0.966 55.881 54.840 0.125 0.000 0.755 406 L CB -0.300 41.812 42.059 0.088 0.000 0.904 406 L HN 0.183 nan 8.230 nan 0.000 0.435 407 R N 0.489 120.982 120.500 -0.012 0.000 2.081 407 R HA -0.169 4.171 4.340 0.000 0.000 0.235 407 R C 2.185 178.470 176.300 -0.025 0.000 1.131 407 R CA 1.453 57.533 56.100 -0.033 0.000 0.960 407 R CB -0.254 30.018 30.300 -0.046 0.000 0.856 407 R HN 0.320 nan 8.270 nan 0.000 0.436 408 A N 0.348 123.152 122.820 -0.027 0.000 2.225 408 A HA -0.054 4.266 4.320 0.000 0.000 0.215 408 A C 1.702 179.264 177.584 -0.038 0.000 1.164 408 A CA 0.892 52.907 52.037 -0.036 0.000 0.710 408 A CB -0.195 18.775 19.000 -0.050 0.000 0.780 408 A HN 0.370 nan 8.150 nan 0.000 0.473 409 L N -2.052 119.157 121.223 -0.024 0.000 2.693 409 L HA 0.313 4.653 4.340 0.000 0.000 0.235 409 L C 1.465 178.331 176.870 -0.007 0.000 1.127 409 L CA 0.540 55.372 54.840 -0.014 0.000 0.914 409 L CB 0.338 42.405 42.059 0.014 0.000 1.193 409 L HN 0.505 nan 8.230 nan 0.000 0.502 410 G N -0.047 108.746 108.800 -0.013 0.000 2.168 410 G HA2 -0.190 3.770 3.960 0.000 0.000 0.197 410 G HA3 -0.190 3.770 3.960 0.000 0.000 0.197 410 G C 0.331 175.221 174.900 -0.017 0.000 0.997 410 G CA -0.152 44.939 45.100 -0.014 0.000 0.658 410 G HN 0.394 nan 8.290 nan 0.000 0.513 411 A N 0.039 122.848 122.820 -0.018 0.000 2.371 411 A HA 0.615 4.935 4.320 0.000 0.000 0.257 411 A C 0.486 178.042 177.584 -0.045 0.000 1.089 411 A CA 0.119 52.138 52.037 -0.029 0.000 0.794 411 A CB 0.435 19.416 19.000 -0.032 0.000 1.029 411 A HN 0.482 nan 8.150 nan 0.000 0.488 412 N N 1.927 120.598 118.700 -0.048 0.000 2.817 412 N HA 0.347 5.087 4.740 0.000 0.000 0.234 412 N C -1.343 174.120 175.510 -0.078 0.000 1.066 412 N CA -0.026 52.992 53.050 -0.053 0.000 0.926 412 N CB 0.251 38.716 38.487 -0.036 0.000 1.176 412 N HN 0.664 nan 8.380 nan 0.000 0.506 413 I N 0.842 121.342 120.570 -0.118 0.000 2.730 413 I HA 0.438 4.608 4.170 0.000 0.000 0.298 413 I C -1.209 174.780 176.117 -0.213 0.000 1.089 413 I CA -0.695 60.488 61.300 -0.196 0.000 1.041 413 I CB 2.148 39.967 38.000 -0.302 0.000 1.235 413 I HN 0.325 nan 8.210 nan 0.000 0.423 414 E N 6.404 126.474 120.200 -0.217 0.000 2.278 414 E HA 0.337 4.687 4.350 0.000 0.000 0.272 414 E C -1.326 175.220 176.600 -0.090 0.000 0.890 414 E CA -0.903 55.411 56.400 -0.142 0.000 0.770 414 E CB 1.700 31.366 29.700 -0.056 0.000 1.212 414 E HN 0.634 nan 8.360 nan 0.000 0.415 415 R N 2.923 123.404 120.500 -0.032 0.000 2.438 415 R HA 0.409 4.749 4.340 0.000 0.000 0.287 415 R C -0.878 175.516 176.300 0.156 0.000 1.077 415 R CA -0.095 56.144 56.100 0.231 0.000 1.034 415 R CB 0.879 31.351 30.300 0.286 0.000 0.993 415 R HN 0.313 nan 8.270 nan 0.000 0.459 416 V N 0.306 120.326 119.914 0.176 0.000 3.087 416 V HA 0.625 4.745 4.120 0.000 0.000 0.306 416 V C -1.057 175.089 176.094 0.085 0.000 1.187 416 V CA -1.316 61.045 62.300 0.102 0.000 0.999 416 V CB 2.079 33.949 31.823 0.079 0.000 1.049 416 V HN 0.624 nan 8.190 nan 0.000 0.431 417 K N 1.241 121.677 120.400 0.060 0.000 2.148 417 K HA 0.901 5.221 4.320 0.000 0.000 0.239 417 K C 0.634 177.257 176.600 0.039 0.000 1.018 417 K CA 0.237 56.552 56.287 0.046 0.000 0.923 417 K CB 1.017 33.538 32.500 0.035 0.000 1.117 417 K HN 1.882 nan 8.250 nan 0.000 0.477 418 G N 1.040 109.859 108.800 0.031 0.000 2.321 418 G HA2 -0.077 3.883 3.960 0.000 0.000 0.177 418 G HA3 -0.077 3.883 3.960 0.000 0.000 0.177 418 G C -0.703 174.213 174.900 0.026 0.000 1.072 418 G CA -0.196 44.920 45.100 0.027 0.000 0.768 418 G HN 0.532 nan 8.290 nan 0.000 0.481 419 E N 0.000 120.215 120.200 0.024 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.414 56.400 0.024 0.000 0.976 419 E CB 0.000 29.709 29.700 0.015 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440