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 3kqj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR 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 0.000 176.323 176.300 0.038 0.000 1.140 1 M CA 0.000 55.318 55.300 0.031 0.000 0.988 1 M CB 0.000 32.630 32.600 0.050 0.000 1.302 2 D N 4.273 124.695 120.400 0.036 0.000 2.399 2 D HA 0.530 5.170 4.640 -0.000 0.000 0.241 2 D C -0.468 175.834 176.300 0.003 0.000 1.133 2 D CA 0.602 54.616 54.000 0.024 0.000 0.890 2 D CB 0.782 41.587 40.800 0.009 0.000 1.201 2 D HN 0.543 nan 8.370 nan 0.000 0.432 3 K N 0.597 121.008 120.400 0.019 0.000 2.509 3 K HA 0.475 4.795 4.320 -0.000 0.000 0.266 3 K C -0.883 175.804 176.600 0.146 0.000 0.987 3 K CA -0.798 55.500 56.287 0.019 0.000 0.868 3 K CB 1.960 34.493 32.500 0.055 0.000 1.421 3 K HN 0.289 nan 8.250 nan 0.000 0.444 4 F N 1.253 121.210 119.950 0.012 0.000 2.444 4 F HA 0.399 4.926 4.527 -0.000 0.000 0.342 4 F C 0.254 176.055 175.800 0.002 0.000 1.121 4 F CA -1.015 56.988 58.000 0.004 0.000 0.997 4 F CB 1.889 40.884 39.000 -0.008 0.000 1.130 4 F HN 0.258 nan 8.300 nan 0.000 0.454 5 R N 3.845 124.449 120.500 0.173 0.000 2.295 5 R HA 0.614 4.954 4.340 -0.000 0.000 0.324 5 R C -1.856 174.457 176.300 0.021 0.000 0.968 5 R CA -0.390 55.757 56.100 0.079 0.000 0.837 5 R CB 1.361 31.693 30.300 0.054 0.000 1.133 5 R HN 0.480 nan 8.270 nan 0.000 0.450 6 V N 4.643 124.566 119.914 0.015 0.000 2.540 6 V HA 0.344 4.464 4.120 -0.000 0.000 0.302 6 V C -0.651 175.435 176.094 -0.014 0.000 1.035 6 V CA -0.942 61.346 62.300 -0.021 0.000 0.873 6 V CB 1.871 33.684 31.823 -0.017 0.000 0.992 6 V HN 0.719 nan 8.190 nan 0.000 0.428 7 Q N 2.898 122.683 119.800 -0.025 0.000 2.333 7 Q HA 0.664 5.004 4.340 -0.000 0.000 0.265 7 Q C 0.115 176.103 176.000 -0.020 0.000 0.989 7 Q CA -0.146 55.647 55.803 -0.018 0.000 0.842 7 Q CB 2.422 31.150 28.738 -0.018 0.000 1.262 7 Q HN 0.960 nan 8.270 nan 0.000 0.451 8 G N 2.538 111.328 108.800 -0.016 0.000 2.816 8 G HA2 0.746 4.706 3.960 -0.000 0.000 0.288 8 G HA3 0.746 4.706 3.960 -0.000 0.000 0.288 8 G C -2.772 172.119 174.900 -0.014 0.000 1.334 8 G CA -1.342 43.747 45.100 -0.017 0.000 0.978 8 G HN 0.318 nan 8.290 nan 0.000 0.493 9 P HA 0.357 nan 4.420 nan 0.000 0.286 9 P C -0.667 176.622 177.300 -0.017 0.000 1.261 9 P CA -0.113 62.977 63.100 -0.016 0.000 0.821 9 P CB 1.646 33.337 31.700 -0.016 0.000 1.013 10 T N -1.205 113.338 114.554 -0.019 0.000 2.916 10 T HA 0.394 4.744 4.350 -0.000 0.000 0.298 10 T C -0.536 174.153 174.700 -0.017 0.000 1.031 10 T CA -1.005 61.084 62.100 -0.019 0.000 0.993 10 T CB 1.588 70.443 68.868 -0.022 0.000 1.045 10 T HN 0.328 nan 8.240 nan 0.000 0.454 11 K N 3.464 123.855 120.400 -0.015 0.000 2.285 11 K HA 0.419 4.739 4.320 -0.000 0.000 0.286 11 K C -0.580 176.013 176.600 -0.011 0.000 1.072 11 K CA -0.740 55.539 56.287 -0.014 0.000 0.913 11 K CB 0.250 32.742 32.500 -0.014 0.000 1.067 11 K HN 0.621 nan 8.250 nan 0.000 0.479 12 L N 6.292 127.512 121.223 -0.005 0.000 2.278 12 L HA 0.225 4.565 4.340 -0.000 0.000 0.287 12 L C 0.010 176.883 176.870 0.006 0.000 1.072 12 L CA -0.137 54.708 54.840 0.008 0.000 0.819 12 L CB 0.673 42.749 42.059 0.028 0.000 1.176 12 L HN 0.738 nan 8.230 nan 0.000 0.435 13 Q N 2.914 122.713 119.800 -0.002 0.000 2.522 13 Q HA 0.807 5.147 4.340 -0.000 0.000 0.285 13 Q C -0.411 175.575 176.000 -0.023 0.000 0.982 13 Q CA -0.461 55.334 55.803 -0.012 0.000 0.805 13 Q CB 2.828 31.552 28.738 -0.022 0.000 1.457 13 Q HN 0.653 nan 8.270 nan 0.000 0.394 14 G N 1.049 109.829 108.800 -0.033 0.000 2.204 14 G HA2 0.019 3.979 3.960 -0.000 0.000 0.153 14 G HA3 0.019 3.979 3.960 -0.000 0.000 0.153 14 G C -1.482 173.382 174.900 -0.059 0.000 1.295 14 G CA -0.310 44.762 45.100 -0.047 0.000 1.257 14 G HN 0.677 nan 8.290 nan 0.000 0.495 15 E N -1.465 118.689 120.200 -0.078 0.000 2.393 15 E HA 0.647 4.997 4.350 -0.000 0.000 0.273 15 E C -1.533 174.980 176.600 -0.146 0.000 0.918 15 E CA -0.768 55.575 56.400 -0.095 0.000 0.773 15 E CB 3.250 32.897 29.700 -0.090 0.000 1.275 15 E HN 0.894 nan 8.360 nan 0.000 0.451 16 V N 0.808 120.616 119.914 -0.176 0.000 3.012 16 V HA 0.456 4.576 4.120 -0.000 0.000 0.307 16 V C -1.488 174.495 176.094 -0.185 0.000 1.166 16 V CA -0.244 61.884 62.300 -0.286 0.000 0.974 16 V CB 2.500 33.939 31.823 -0.640 0.000 1.040 16 V HN 0.712 nan 8.190 nan 0.000 0.428 17 T N 7.336 121.795 114.554 -0.158 0.000 2.756 17 T HA 0.529 4.879 4.350 -0.000 0.000 0.290 17 T C -0.220 174.446 174.700 -0.056 0.000 0.985 17 T CA -0.257 61.798 62.100 -0.075 0.000 0.955 17 T CB 0.617 69.455 68.868 -0.050 0.000 0.930 17 T HN 0.473 nan 8.240 nan 0.000 0.451 18 I N 3.272 123.836 120.570 -0.010 0.000 2.556 18 I HA 0.153 4.323 4.170 -0.000 0.000 0.284 18 I C 1.150 177.287 176.117 0.033 0.000 1.114 18 I CA 0.122 61.445 61.300 0.038 0.000 1.418 18 I CB 0.384 38.424 38.000 0.065 0.000 1.394 18 I HN 0.555 nan 8.210 nan 0.000 0.552 19 S N 4.017 119.747 115.700 0.050 0.000 2.681 19 S HA 0.523 4.993 4.470 -0.000 0.000 0.270 19 S C 0.643 175.252 174.600 0.016 0.000 1.209 19 S CA -0.597 57.621 58.200 0.030 0.000 0.988 19 S CB 1.299 64.525 63.200 0.042 0.000 1.006 19 S HN 0.848 nan 8.310 nan 0.000 0.558 20 G N 0.222 109.022 108.800 0.000 0.000 2.554 20 G HA2 0.432 4.392 3.960 -0.000 0.000 0.238 20 G HA3 0.432 4.392 3.960 -0.000 0.000 0.238 20 G C -0.032 174.861 174.900 -0.012 0.000 1.259 20 G CA -0.333 44.761 45.100 -0.010 0.000 0.843 20 G HN 0.903 nan 8.290 nan 0.000 0.582 21 A N 1.544 124.356 122.820 -0.015 0.000 2.522 21 A HA 0.234 4.554 4.320 -0.000 0.000 0.256 21 A C 1.670 179.243 177.584 -0.019 0.000 1.086 21 A CA 0.251 52.275 52.037 -0.021 0.000 0.763 21 A CB 0.279 19.267 19.000 -0.019 0.000 1.024 21 A HN 0.908 nan 8.150 nan 0.000 0.502 22 K N 2.379 122.760 120.400 -0.031 0.000 2.044 22 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 22 K C 0.607 177.229 176.600 0.037 0.000 1.049 22 K CA 2.074 58.354 56.287 -0.011 0.000 0.927 22 K CB -0.118 32.353 32.500 -0.048 0.000 0.713 22 K HN 0.763 nan 8.250 nan 0.000 0.443 23 N N -0.105 118.617 118.700 0.037 0.000 2.449 23 N HA 0.002 4.742 4.740 -0.000 0.000 0.191 23 N C 0.740 176.275 175.510 0.041 0.000 1.161 23 N CA 0.732 53.837 53.050 0.093 0.000 0.863 23 N CB 0.710 39.258 38.487 0.101 0.000 0.980 23 N HN 0.333 nan 8.380 nan 0.000 0.458 24 A N 0.074 122.892 122.820 -0.003 0.000 1.984 24 A HA 0.438 4.758 4.320 -0.000 0.000 0.203 24 A C 2.165 179.707 177.584 -0.071 0.000 1.292 24 A CA 0.705 52.713 52.037 -0.048 0.000 0.782 24 A CB -0.413 18.573 19.000 -0.022 0.000 0.924 24 A HN 0.172 nan 8.150 nan 0.000 0.475 25 A N 0.423 123.219 122.820 -0.039 0.000 1.908 25 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 25 A C 2.126 179.685 177.584 -0.042 0.000 1.181 25 A CA 1.606 53.605 52.037 -0.062 0.000 0.627 25 A CB -0.704 18.275 19.000 -0.036 0.000 0.818 25 A HN 0.451 nan 8.150 nan 0.000 0.445 26 L N -0.155 121.108 121.223 0.067 0.000 1.994 26 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 26 L C -0.257 176.755 176.870 0.236 0.000 1.071 26 L CA 1.659 56.643 54.840 0.241 0.000 0.745 26 L CB -1.449 40.871 42.059 0.436 0.000 0.892 26 L HN 0.297 nan 8.230 nan 0.000 0.431 27 P HA -0.165 nan 4.420 nan 0.000 0.218 27 P C 1.827 178.986 177.300 -0.236 0.000 1.149 27 P CA 1.553 64.330 63.100 -0.538 0.000 0.817 27 P CB 0.062 31.133 31.700 -1.047 0.000 0.785 28 I N -0.655 119.763 120.570 -0.254 0.000 2.252 28 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 28 I C 2.608 178.509 176.117 -0.360 0.000 1.102 28 I CA 1.113 62.154 61.300 -0.432 0.000 1.385 28 I CB -0.548 37.056 38.000 -0.660 0.000 1.064 28 I HN -0.154 nan 8.210 nan 0.000 0.414 29 L N -0.531 120.550 121.223 -0.238 0.000 2.046 29 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 29 L C 2.404 179.125 176.870 -0.248 0.000 1.077 29 L CA 1.590 56.276 54.840 -0.258 0.000 0.747 29 L CB -0.553 41.327 42.059 -0.300 0.000 0.896 29 L HN 0.142 nan 8.230 nan 0.000 0.432 30 F N -0.402 119.566 119.950 0.031 0.000 2.259 30 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 30 F C 2.550 178.406 175.800 0.093 0.000 1.088 30 F CA 0.865 58.925 58.000 0.102 0.000 1.358 30 F CB -0.495 38.625 39.000 0.200 0.000 1.040 30 F HN -0.011 nan 8.300 nan 0.000 0.505 31 A N 0.078 123.011 122.820 0.188 0.000 2.019 31 A HA -0.056 4.263 4.320 -0.000 0.000 0.219 31 A C 2.317 180.054 177.584 0.255 0.000 1.164 31 A CA 1.381 53.538 52.037 0.199 0.000 0.644 31 A CB -1.093 18.042 19.000 0.226 0.000 0.805 31 A HN 0.284 nan 8.150 nan 0.000 0.449 32 A N -0.384 122.581 122.820 0.242 0.000 2.125 32 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 32 A C 1.924 179.607 177.584 0.165 0.000 1.156 32 A CA 1.080 53.261 52.037 0.240 0.000 0.671 32 A CB -0.550 18.543 19.000 0.154 0.000 0.794 32 A HN 0.494 nan 8.150 nan 0.000 0.459 33 L N -0.885 120.441 121.223 0.172 0.000 2.265 33 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 33 L C 2.016 178.998 176.870 0.186 0.000 1.117 33 L CA 0.651 55.619 54.840 0.214 0.000 0.782 33 L CB -0.303 41.925 42.059 0.281 0.000 0.914 33 L HN 0.407 nan 8.230 nan 0.000 0.441 34 L N -0.537 120.758 121.223 0.121 0.000 2.418 34 L HA 0.103 4.443 4.340 -0.000 0.000 0.218 34 L C 1.334 178.206 176.870 0.004 0.000 1.125 34 L CA -0.353 54.507 54.840 0.033 0.000 0.835 34 L CB -0.369 41.695 42.059 0.008 0.000 0.953 34 L HN 0.101 nan 8.230 nan 0.000 0.454 35 A N 0.509 123.354 122.820 0.041 0.000 2.409 35 A HA 0.141 4.461 4.320 -0.000 0.000 0.267 35 A C 0.698 178.302 177.584 0.034 0.000 1.127 35 A CA -0.171 51.877 52.037 0.018 0.000 0.795 35 A CB 0.059 19.087 19.000 0.046 0.000 1.061 35 A HN 0.323 nan 8.150 nan 0.000 0.502 36 E N 1.200 121.404 120.200 0.006 0.000 2.419 36 E HA 0.090 4.440 4.350 -0.000 0.000 0.190 36 E C -0.369 176.245 176.600 0.023 0.000 1.040 36 E CA 0.133 56.545 56.400 0.019 0.000 0.900 36 E CB 0.354 30.052 29.700 -0.004 0.000 1.054 36 E HN 0.659 nan 8.360 nan 0.000 0.462 37 E N 0.224 120.438 120.200 0.024 0.000 2.408 37 E HA 0.333 4.683 4.350 -0.000 0.000 0.275 37 E C -2.710 173.916 176.600 0.045 0.000 0.935 37 E CA -2.423 53.992 56.400 0.026 0.000 0.775 37 E CB 1.573 31.279 29.700 0.011 0.000 1.277 37 E HN -0.142 nan 8.360 nan 0.000 0.455 38 P HA 0.061 nan 4.420 nan 0.000 0.269 38 P C -0.590 176.767 177.300 0.095 0.000 1.215 38 P CA -0.212 62.929 63.100 0.068 0.000 0.780 38 P CB 0.507 32.235 31.700 0.046 0.000 0.898 39 V N -1.331 118.667 119.914 0.140 0.000 2.876 39 V HA 0.624 4.744 4.120 -0.000 0.000 0.312 39 V C -0.780 175.449 176.094 0.225 0.000 1.085 39 V CA -0.977 61.438 62.300 0.190 0.000 0.945 39 V CB 2.160 34.144 31.823 0.267 0.000 1.017 39 V HN 0.513 nan 8.190 nan 0.000 0.428 40 E N 3.780 124.119 120.200 0.232 0.000 2.165 40 E HA 0.565 4.915 4.350 -0.000 0.000 0.266 40 E C -1.480 175.190 176.600 0.116 0.000 0.889 40 E CA -0.852 55.675 56.400 0.212 0.000 0.756 40 E CB 1.645 31.507 29.700 0.270 0.000 1.131 40 E HN 0.734 nan 8.360 nan 0.000 0.411 41 I N 4.240 124.808 120.570 -0.004 0.000 2.330 41 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 41 I C 0.100 176.177 176.117 -0.066 0.000 1.001 41 I CA -0.537 60.751 61.300 -0.020 0.000 1.193 41 I CB 1.078 39.010 38.000 -0.114 0.000 1.345 41 I HN 0.645 nan 8.210 nan 0.000 0.461 42 Q N 3.712 123.491 119.800 -0.035 0.000 2.205 42 Q HA 0.331 4.671 4.340 -0.000 0.000 0.249 42 Q C 0.331 176.296 176.000 -0.059 0.000 0.948 42 Q CA -0.640 55.129 55.803 -0.056 0.000 0.895 42 Q CB 1.018 29.729 28.738 -0.045 0.000 1.249 42 Q HN 0.554 nan 8.270 nan 0.000 0.458 43 N N -0.416 118.251 118.700 -0.054 0.000 2.754 43 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 43 N C -1.711 173.774 175.510 -0.041 0.000 1.093 43 N CA 0.249 53.273 53.050 -0.043 0.000 0.699 43 N CB -0.883 37.576 38.487 -0.046 0.000 1.016 43 N HN 0.316 nan 8.380 nan 0.000 0.552 44 V N 1.890 121.774 119.914 -0.049 0.000 2.432 44 V HA 0.384 4.504 4.120 -0.000 0.000 0.271 44 V C -1.390 174.686 176.094 -0.030 0.000 1.046 44 V CA -1.069 61.202 62.300 -0.047 0.000 0.945 44 V CB 1.215 32.997 31.823 -0.069 0.000 0.992 44 V HN 0.216 nan 8.190 nan 0.000 0.471 45 P HA 0.145 nan 4.420 nan 0.000 0.272 45 P C -0.772 176.529 177.300 0.003 0.000 1.223 45 P CA -0.431 62.669 63.100 -0.001 0.000 0.784 45 P CB 0.846 32.547 31.700 0.001 0.000 0.923 46 K N 2.662 123.072 120.400 0.016 0.000 2.184 46 K HA 0.379 4.699 4.320 -0.000 0.000 0.259 46 K C -0.173 176.448 176.600 0.035 0.000 1.119 46 K CA -0.189 56.110 56.287 0.020 0.000 0.991 46 K CB -0.116 32.398 32.500 0.024 0.000 1.522 46 K HN 0.422 nan 8.250 nan 0.000 0.405 47 L N 1.490 122.731 121.223 0.029 0.000 2.323 47 L HA 0.357 4.697 4.340 -0.000 0.000 0.265 47 L C 1.237 178.128 176.870 0.035 0.000 1.012 47 L CA -1.002 53.861 54.840 0.038 0.000 0.820 47 L CB 1.445 43.521 42.059 0.027 0.000 1.334 47 L HN 0.242 nan 8.230 nan 0.000 0.427 48 K N 0.828 121.254 120.400 0.043 0.000 2.063 48 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 48 K C 1.203 177.824 176.600 0.035 0.000 1.048 48 K CA 1.859 58.168 56.287 0.036 0.000 0.928 48 K CB -0.002 32.524 32.500 0.043 0.000 0.713 48 K HN 0.605 nan 8.250 nan 0.000 0.442 49 D N -0.466 119.961 120.400 0.044 0.000 2.178 49 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 49 D C 1.805 178.145 176.300 0.068 0.000 0.980 49 D CA 1.010 55.047 54.000 0.060 0.000 0.842 49 D CB -0.080 40.763 40.800 0.071 0.000 0.948 49 D HN 0.035 nan 8.370 nan 0.000 0.472 50 V N 1.202 121.142 119.914 0.043 0.000 2.358 50 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 50 V C 1.789 177.884 176.094 0.003 0.000 1.047 50 V CA 1.595 63.906 62.300 0.018 0.000 1.035 50 V CB -0.331 31.493 31.823 0.000 0.000 0.658 50 V HN 0.103 nan 8.190 nan 0.000 0.452 51 D N -0.011 120.395 120.400 0.009 0.000 2.117 51 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 51 D C 2.280 178.584 176.300 0.007 0.000 0.987 51 D CA 1.920 55.922 54.000 0.003 0.000 0.829 51 D CB -0.461 40.343 40.800 0.008 0.000 0.961 51 D HN 0.385 nan 8.370 nan 0.000 0.460 52 T N 0.392 114.959 114.554 0.023 0.000 2.746 52 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 52 T C 2.193 176.925 174.700 0.053 0.000 1.039 52 T CA 1.407 63.528 62.100 0.035 0.000 1.142 52 T CB -0.234 68.660 68.868 0.043 0.000 0.866 52 T HN 0.039 nan 8.240 nan 0.000 0.444 53 S N 1.145 116.881 115.700 0.059 0.000 2.368 53 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 53 S C 2.112 176.638 174.600 -0.124 0.000 1.030 53 S CA 1.103 59.298 58.200 -0.007 0.000 0.999 53 S CB -0.362 62.796 63.200 -0.069 0.000 0.844 53 S HN 0.416 nan 8.310 nan 0.000 0.459 54 M N 1.046 120.596 119.600 -0.083 0.000 2.117 54 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 54 M C 2.121 178.396 176.300 -0.042 0.000 1.065 54 M CA 1.395 56.649 55.300 -0.077 0.000 1.114 54 M CB -0.377 32.193 32.600 -0.050 0.000 1.361 54 M HN 0.173 nan 8.290 nan 0.000 0.408 55 K N 0.344 120.734 120.400 -0.017 0.000 2.097 55 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 55 K C 1.963 178.569 176.600 0.009 0.000 1.050 55 K CA 1.082 57.368 56.287 -0.001 0.000 0.938 55 K CB -0.307 32.197 32.500 0.007 0.000 0.718 55 K HN 0.325 nan 8.250 nan 0.000 0.442 56 L N 1.315 122.554 121.223 0.025 0.000 1.994 56 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 56 L C 2.167 179.062 176.870 0.043 0.000 1.071 56 L CA 1.240 56.120 54.840 0.066 0.000 0.745 56 L CB -0.176 41.982 42.059 0.164 0.000 0.892 56 L HN 0.176 nan 8.230 nan 0.000 0.431 57 L N -1.050 120.161 121.223 -0.021 0.000 2.042 57 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 57 L C 2.797 179.662 176.870 -0.008 0.000 1.076 57 L CA 1.521 56.343 54.840 -0.030 0.000 0.749 57 L CB -0.714 41.283 42.059 -0.105 0.000 0.893 57 L HN 0.319 nan 8.230 nan 0.000 0.432 58 S N -0.552 115.140 115.700 -0.013 0.000 2.368 58 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 58 S C 1.931 176.524 174.600 -0.012 0.000 1.030 58 S CA 1.355 59.550 58.200 -0.009 0.000 0.999 58 S CB -0.095 63.101 63.200 -0.007 0.000 0.844 58 S HN 0.460 nan 8.310 nan 0.000 0.459 59 Q N -0.093 119.705 119.800 -0.004 0.000 2.369 59 Q HA 0.117 4.457 4.340 -0.000 0.000 0.206 59 Q C 1.732 177.714 176.000 -0.031 0.000 0.963 59 Q CA 0.683 56.480 55.803 -0.010 0.000 0.894 59 Q CB -0.102 28.642 28.738 0.008 0.000 0.965 59 Q HN 0.531 nan 8.270 nan 0.000 0.475 60 L N -1.322 119.886 121.223 -0.024 0.000 2.558 60 L HA 0.121 4.461 4.340 -0.000 0.000 0.225 60 L C 1.148 177.951 176.870 -0.113 0.000 1.128 60 L CA 0.571 55.373 54.840 -0.064 0.000 0.868 60 L CB 0.217 42.279 42.059 0.005 0.000 1.006 60 L HN 0.402 nan 8.230 nan 0.000 0.454 61 G N -0.378 108.381 108.800 -0.069 0.000 2.184 61 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.206 61 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.206 61 G C 0.292 175.181 174.900 -0.019 0.000 0.995 61 G CA -0.141 44.920 45.100 -0.065 0.000 0.651 61 G HN 0.414 nan 8.290 nan 0.000 0.511 62 A N 0.260 123.082 122.820 0.002 0.000 2.304 62 A HA 0.695 5.015 4.320 -0.000 0.000 0.271 62 A C 0.338 177.932 177.584 0.018 0.000 1.091 62 A CA -0.189 51.864 52.037 0.027 0.000 0.812 62 A CB 0.570 19.593 19.000 0.038 0.000 1.056 62 A HN 0.162 nan 8.150 nan 0.000 0.489 63 K N 1.181 121.598 120.400 0.028 0.000 2.248 63 K HA 0.527 4.847 4.320 -0.000 0.000 0.281 63 K C -1.033 175.586 176.600 0.032 0.000 1.054 63 K CA -0.205 56.097 56.287 0.024 0.000 0.903 63 K CB 1.173 33.689 32.500 0.027 0.000 1.077 63 K HN 0.344 nan 8.250 nan 0.000 0.474 64 V N 2.449 122.378 119.914 0.024 0.000 2.789 64 V HA 0.487 4.607 4.120 -0.000 0.000 0.311 64 V C -0.370 175.744 176.094 0.034 0.000 1.073 64 V CA -0.862 61.453 62.300 0.026 0.000 0.921 64 V CB 2.094 33.914 31.823 -0.005 0.000 1.009 64 V HN 0.913 nan 8.190 nan 0.000 0.426 65 E N 3.424 123.656 120.200 0.053 0.000 2.416 65 E HA 0.800 5.150 4.350 -0.000 0.000 0.280 65 E C -1.284 175.342 176.600 0.045 0.000 1.055 65 E CA -1.414 55.021 56.400 0.058 0.000 0.825 65 E CB 2.407 32.162 29.700 0.092 0.000 1.312 65 E HN 0.720 nan 8.360 nan 0.000 0.452 66 R N 1.357 121.874 120.500 0.028 0.000 2.536 66 R HA 0.461 4.801 4.340 -0.000 0.000 0.269 66 R C -1.437 174.865 176.300 0.005 0.000 1.113 66 R CA -0.610 55.476 56.100 -0.024 0.000 0.948 66 R CB 1.278 31.544 30.300 -0.057 0.000 1.237 66 R HN 0.654 nan 8.270 nan 0.000 0.441 67 D N 1.332 121.729 120.400 -0.005 0.000 10.890 67 D HA -0.192 4.448 4.640 -0.000 0.000 0.359 67 D C 1.022 177.360 176.300 0.063 0.000 3.118 67 D CA 1.764 55.781 54.000 0.028 0.000 2.613 67 D CB -0.602 40.202 40.800 0.006 0.000 1.178 67 D HN 0.984 nan 8.370 nan 0.000 0.941 68 G N 0.242 109.028 108.800 -0.024 0.000 3.383 68 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.227 68 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.227 68 G C 0.519 175.375 174.900 -0.072 0.000 1.570 68 G CA 1.788 46.868 45.100 -0.033 0.000 1.585 68 G HN 0.751 nan 8.290 nan 0.000 0.718 69 S N -0.609 115.019 115.700 -0.119 0.000 2.617 69 S HA 0.625 5.095 4.470 -0.000 0.000 0.283 69 S C 0.047 174.419 174.600 -0.379 0.000 1.189 69 S CA -0.559 57.508 58.200 -0.222 0.000 1.036 69 S CB 2.406 65.463 63.200 -0.239 0.000 1.014 69 S HN 0.556 nan 8.310 nan 0.000 0.522 70 V N 3.531 123.237 119.914 -0.346 0.000 2.472 70 V HA 0.363 4.483 4.120 -0.000 0.000 0.290 70 V C -0.488 175.374 176.094 -0.386 0.000 1.037 70 V CA -0.562 61.557 62.300 -0.302 0.000 0.908 70 V CB 1.012 32.739 31.823 -0.159 0.000 0.985 70 V HN 0.779 nan 8.190 nan 0.000 0.454 71 H N 4.955 124.025 119.070 0.000 0.000 2.489 71 H HA 0.580 5.136 4.556 -0.000 0.000 0.343 71 H C -0.912 174.422 175.328 0.010 0.000 1.086 71 H CA -0.666 55.390 56.048 0.013 0.000 1.198 71 H CB 2.061 31.832 29.762 0.015 0.000 1.490 71 H HN 0.321 nan 8.280 nan 0.000 0.504 72 I N 2.505 123.160 120.570 0.141 0.000 2.533 72 I HA 0.111 4.281 4.170 -0.000 0.000 0.290 72 I C -0.123 176.051 176.117 0.094 0.000 1.056 72 I CA -0.533 60.819 61.300 0.087 0.000 1.057 72 I CB 2.121 40.155 38.000 0.057 0.000 1.240 72 I HN 0.526 nan 8.210 nan 0.000 0.423 73 D N 5.064 125.509 120.400 0.074 0.000 2.420 73 D HA 0.523 5.163 4.640 -0.000 0.000 0.255 73 D C 0.162 176.506 176.300 0.074 0.000 1.185 73 D CA -0.303 53.739 54.000 0.069 0.000 0.904 73 D CB 1.725 42.556 40.800 0.052 0.000 1.102 73 D HN 0.617 nan 8.370 nan 0.000 0.534 74 A N 4.085 126.962 122.820 0.094 0.000 2.379 74 A HA 0.132 4.451 4.320 -0.000 0.000 0.236 74 A C 1.910 179.588 177.584 0.157 0.000 1.272 74 A CA -0.122 51.990 52.037 0.125 0.000 0.886 74 A CB -0.071 19.020 19.000 0.153 0.000 0.962 74 A HN 0.522 nan 8.150 nan 0.000 0.504 75 R N 0.432 121.003 120.500 0.118 0.000 2.096 75 R HA -0.137 4.203 4.340 -0.000 0.000 0.240 75 R C 0.052 176.447 176.300 0.159 0.000 1.139 75 R CA 1.622 57.796 56.100 0.124 0.000 0.952 75 R CB -0.095 30.253 30.300 0.080 0.000 0.854 75 R HN 0.346 nan 8.270 nan 0.000 0.436 76 D N 0.226 120.697 120.400 0.118 0.000 2.491 76 D HA 0.084 4.723 4.640 -0.000 0.000 0.228 76 D C -0.482 175.856 176.300 0.063 0.000 1.183 76 D CA -0.030 54.030 54.000 0.100 0.000 0.827 76 D CB 0.300 41.133 40.800 0.055 0.000 0.989 76 D HN -0.111 nan 8.370 nan 0.000 0.494 77 V N 2.927 122.901 119.914 0.099 0.000 2.644 77 V HA -0.071 4.049 4.120 -0.000 0.000 0.305 77 V C 1.262 177.219 176.094 -0.229 0.000 1.053 77 V CA 0.663 62.937 62.300 -0.044 0.000 1.186 77 V CB 0.426 32.272 31.823 0.038 0.000 0.895 77 V HN 0.381 nan 8.190 nan 0.000 0.490 78 N N 3.147 121.624 118.700 -0.371 0.000 2.116 78 N HA 0.093 4.833 4.740 -0.000 0.000 0.230 78 N C -0.827 174.089 175.510 -0.990 0.000 1.326 78 N CA -0.087 52.637 53.050 -0.542 0.000 0.867 78 N CB 0.767 39.107 38.487 -0.245 0.000 1.174 78 N HN 0.334 nan 8.380 nan 0.000 0.506 79 V N 1.550 120.889 119.914 -0.959 0.000 2.540 79 V HA 0.477 4.597 4.120 -0.000 0.000 0.302 79 V C -0.636 174.965 176.094 -0.821 0.000 1.035 79 V CA -0.605 61.195 62.300 -0.833 0.000 0.873 79 V CB 1.382 32.991 31.823 -0.356 0.000 0.992 79 V HN 0.006 nan 8.190 nan 0.000 0.428 80 F N 1.646 121.547 119.950 -0.083 0.000 2.688 80 F HA 0.357 4.884 4.527 -0.000 0.000 0.310 80 F C 0.633 176.452 175.800 0.032 0.000 1.098 80 F CA -0.599 57.375 58.000 -0.042 0.000 1.228 80 F CB 0.385 39.361 39.000 -0.040 0.000 1.042 80 F HN 0.437 nan 8.300 nan 0.000 0.557 81 C N 2.370 121.738 119.300 0.114 0.000 2.281 81 C HA 0.848 5.308 4.460 -0.000 0.000 0.323 81 C C 0.630 175.706 174.990 0.144 0.000 1.270 81 C CA -0.832 58.276 59.018 0.150 0.000 1.559 81 C CB -1.034 26.767 27.740 0.100 0.000 2.239 81 C HN 0.418 nan 8.230 nan 0.000 0.488 82 A N 8.837 131.764 122.820 0.178 0.000 2.450 82 A HA 0.562 4.882 4.320 -0.000 0.000 0.255 82 A C -2.121 175.558 177.584 0.157 0.000 1.096 82 A CA -0.759 51.364 52.037 0.143 0.000 0.778 82 A CB -0.008 19.061 19.000 0.115 0.000 1.031 82 A HN 0.818 nan 8.150 nan 0.000 0.494 83 P HA -0.039 nan 4.420 nan 0.000 0.267 83 P C 0.179 177.554 177.300 0.126 0.000 1.209 83 P CA 0.195 63.377 63.100 0.137 0.000 0.763 83 P CB 0.405 32.159 31.700 0.090 0.000 0.816 84 Y N 4.879 125.218 120.300 0.065 0.000 2.102 84 Y HA -0.331 4.219 4.550 -0.000 0.000 0.280 84 Y C 2.114 178.001 175.900 -0.021 0.000 1.178 84 Y CA 2.733 60.830 58.100 -0.005 0.000 1.146 84 Y CB -0.432 38.054 38.460 0.043 0.000 0.968 84 Y HN 0.416 nan 8.280 nan 0.000 0.504 85 D N -0.268 120.200 120.400 0.114 0.000 2.182 85 D HA -0.225 4.415 4.640 -0.000 0.000 0.201 85 D C 1.924 178.173 176.300 -0.085 0.000 0.986 85 D CA 1.838 55.846 54.000 0.013 0.000 0.847 85 D CB -0.764 40.082 40.800 0.077 0.000 0.942 85 D HN 0.513 nan 8.370 nan 0.000 0.467 86 L N 0.198 121.388 121.223 -0.055 0.000 2.249 86 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 86 L C 2.803 179.620 176.870 -0.089 0.000 1.090 86 L CA 0.186 55.001 54.840 -0.041 0.000 0.802 86 L CB -0.126 41.944 42.059 0.018 0.000 0.947 86 L HN -0.093 nan 8.230 nan 0.000 0.453 87 V N -0.096 119.726 119.914 -0.153 0.000 2.358 87 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 87 V C 2.372 178.287 176.094 -0.298 0.000 1.047 87 V CA 1.461 63.633 62.300 -0.214 0.000 1.035 87 V CB -0.441 31.230 31.823 -0.253 0.000 0.658 87 V HN 0.344 nan 8.190 nan 0.000 0.452 88 K N -0.447 119.690 120.400 -0.439 0.000 2.504 88 K HA -0.021 4.299 4.320 -0.000 0.000 0.195 88 K C 1.938 178.395 176.600 -0.238 0.000 1.036 88 K CA 0.862 56.895 56.287 -0.422 0.000 0.984 88 K CB -0.283 31.807 32.500 -0.684 0.000 0.788 88 K HN 0.423 nan 8.250 nan 0.000 0.488 89 T N 0.889 115.336 114.554 -0.178 0.000 3.107 89 T HA 0.151 4.501 4.350 -0.000 0.000 0.249 89 T C 0.508 175.166 174.700 -0.070 0.000 1.096 89 T CA -0.069 61.969 62.100 -0.102 0.000 1.012 89 T CB 0.059 68.879 68.868 -0.080 0.000 0.977 89 T HN 0.263 nan 8.240 nan 0.000 0.527 90 M N -1.852 117.689 119.600 -0.099 0.000 2.773 90 M HA 0.607 5.087 4.480 -0.000 0.000 0.270 90 M C 0.239 176.442 176.300 -0.161 0.000 1.238 90 M CA -1.031 54.216 55.300 -0.088 0.000 0.832 90 M CB 1.543 34.120 32.600 -0.038 0.000 1.672 90 M HN -0.361 nan 8.290 nan 0.000 0.480 91 R N 1.490 121.880 120.500 -0.184 0.000 2.093 91 R HA 0.299 4.639 4.340 -0.000 0.000 0.224 91 R C 1.938 177.939 176.300 -0.497 0.000 1.101 91 R CA 2.383 58.303 56.100 -0.299 0.000 0.979 91 R CB -0.794 29.349 30.300 -0.263 0.000 0.877 91 R HN 0.909 nan 8.270 nan 0.000 0.441 92 A N 0.276 122.839 122.820 -0.428 0.000 2.084 92 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 92 A C 2.053 179.209 177.584 -0.714 0.000 1.161 92 A CA 1.899 53.609 52.037 -0.544 0.000 0.653 92 A CB -0.948 18.119 19.000 0.110 0.000 0.802 92 A HN 0.600 nan 8.150 nan 0.000 0.457 93 S N -0.078 115.306 115.700 -0.528 0.000 2.419 93 S HA -0.200 4.270 4.470 -0.000 0.000 0.235 93 S C 1.699 175.941 174.600 -0.597 0.000 1.019 93 S CA 1.298 59.165 58.200 -0.555 0.000 0.982 93 S CB -0.637 62.406 63.200 -0.263 0.000 0.789 93 S HN 0.524 nan 8.310 nan 0.000 0.490 94 I N 1.076 121.275 120.570 -0.618 0.000 2.530 94 I HA -0.048 4.122 4.170 -0.000 0.000 0.257 94 I C 1.547 177.438 176.117 -0.376 0.000 1.179 94 I CA 0.595 61.574 61.300 -0.535 0.000 1.440 94 I CB -0.669 36.891 38.000 -0.734 0.000 1.087 94 I HN 0.365 nan 8.210 nan 0.000 0.440 95 W N 0.437 121.461 121.300 -0.461 0.000 2.961 95 W HA 0.154 4.814 4.660 -0.000 0.000 0.240 95 W C 2.300 178.687 176.519 -0.220 0.000 1.305 95 W CA 0.626 57.782 57.345 -0.316 0.000 1.465 95 W CB -1.241 28.054 29.460 -0.276 0.000 1.135 95 W HN 0.306 nan 8.180 nan 0.000 0.688 96 A N -0.146 122.601 122.820 -0.122 0.000 2.067 96 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 96 A C 1.968 179.669 177.584 0.195 0.000 1.156 96 A CA 0.760 52.925 52.037 0.213 0.000 0.683 96 A CB -0.486 18.656 19.000 0.237 0.000 0.808 96 A HN 0.150 nan 8.150 nan 0.000 0.455 97 L N 0.121 121.412 121.223 0.113 0.000 1.994 97 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 97 L C 2.448 179.408 176.870 0.150 0.000 1.071 97 L CA 2.352 57.265 54.840 0.122 0.000 0.745 97 L CB -1.064 41.036 42.059 0.069 0.000 0.892 97 L HN 0.299 nan 8.230 nan 0.000 0.431 98 G N -0.632 108.268 108.800 0.166 0.000 2.459 98 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 98 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 98 G C -0.651 174.332 174.900 0.138 0.000 1.183 98 G CA 0.957 46.146 45.100 0.148 0.000 0.776 98 G HN 0.377 nan 8.290 nan 0.000 0.552 99 P HA -0.025 nan 4.420 nan 0.000 0.217 99 P C 2.074 179.494 177.300 0.199 0.000 1.150 99 P CA 0.658 63.858 63.100 0.167 0.000 0.832 99 P CB -0.084 31.750 31.700 0.223 0.000 0.787 100 L N -1.168 120.215 121.223 0.267 0.000 2.017 100 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 100 L C 2.465 179.463 176.870 0.213 0.000 1.073 100 L CA 1.321 56.374 54.840 0.355 0.000 0.745 100 L CB -1.135 41.115 42.059 0.317 0.000 0.894 100 L HN -0.093 nan 8.230 nan 0.000 0.432 101 V N -0.179 119.810 119.914 0.126 0.000 2.453 101 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 101 V C 2.573 178.676 176.094 0.015 0.000 1.048 101 V CA 1.715 64.049 62.300 0.057 0.000 1.049 101 V CB 0.029 31.885 31.823 0.056 0.000 0.672 101 V HN 0.421 nan 8.190 nan 0.000 0.457 102 A N -0.145 122.686 122.820 0.018 0.000 1.930 102 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 102 A C 2.410 179.932 177.584 -0.104 0.000 1.175 102 A CA 1.963 53.984 52.037 -0.027 0.000 0.627 102 A CB -0.485 18.509 19.000 -0.010 0.000 0.815 102 A HN 0.573 nan 8.150 nan 0.000 0.443 103 R N -2.477 117.919 120.500 -0.174 0.000 2.175 103 R HA 0.178 4.518 4.340 -0.000 0.000 0.202 103 R C 0.765 176.673 176.300 -0.653 0.000 1.018 103 R CA 0.721 56.551 56.100 -0.449 0.000 1.029 103 R CB 0.032 29.951 30.300 -0.635 0.000 0.959 103 R HN 0.475 nan 8.270 nan 0.000 0.480 104 F N -1.078 118.795 119.950 -0.128 0.000 2.682 104 F HA 0.384 4.911 4.527 -0.000 0.000 0.308 104 F C 1.318 176.926 175.800 -0.320 0.000 1.093 104 F CA 0.340 58.165 58.000 -0.291 0.000 1.244 104 F CB 1.527 40.160 39.000 -0.613 0.000 1.052 104 F HN 0.242 nan 8.300 nan 0.000 0.573 105 G N 1.212 109.969 108.800 -0.072 0.000 2.179 105 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 105 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 105 G C -0.006 174.855 174.900 -0.066 0.000 0.977 105 G CA 0.391 45.452 45.100 -0.065 0.000 0.641 105 G HN 0.518 nan 8.290 nan 0.000 0.533 106 Q N -1.810 117.933 119.800 -0.094 0.000 2.527 106 Q HA 0.626 4.966 4.340 -0.000 0.000 0.280 106 Q C -0.566 175.444 176.000 0.018 0.000 0.977 106 Q CA -0.606 55.169 55.803 -0.047 0.000 0.837 106 Q CB 1.499 30.197 28.738 -0.067 0.000 1.454 106 Q HN 1.578 nan 8.270 nan 0.000 0.387 107 G N 1.079 109.938 108.800 0.097 0.000 2.755 107 G HA2 0.539 4.499 3.960 -0.000 0.000 0.297 107 G HA3 0.539 4.499 3.960 -0.000 0.000 0.297 107 G C -1.999 172.996 174.900 0.158 0.000 1.441 107 G CA -0.568 44.631 45.100 0.166 0.000 0.964 107 G HN 0.410 nan 8.290 nan 0.000 0.540 108 Q N -0.278 119.637 119.800 0.191 0.000 2.285 108 Q HA 0.692 5.032 4.340 -0.000 0.000 0.269 108 Q C -0.746 175.404 176.000 0.249 0.000 1.030 108 Q CA -0.698 55.238 55.803 0.221 0.000 0.788 108 Q CB 3.179 32.050 28.738 0.222 0.000 1.266 108 Q HN 0.512 nan 8.270 nan 0.000 0.438 109 V N 1.207 121.234 119.914 0.189 0.000 2.808 109 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 109 V C -0.370 175.627 176.094 -0.162 0.000 1.099 109 V CA -0.855 61.465 62.300 0.033 0.000 0.920 109 V CB 2.410 34.214 31.823 -0.033 0.000 1.014 109 V HN 0.819 nan 8.190 nan 0.000 0.425 110 S N 3.403 118.815 115.700 -0.479 0.000 2.600 110 S HA 0.523 4.993 4.470 -0.000 0.000 0.265 110 S C 0.064 174.476 174.600 -0.313 0.000 1.325 110 S CA -0.496 57.341 58.200 -0.605 0.000 1.002 110 S CB 0.480 63.283 63.200 -0.662 0.000 0.921 110 S HN 0.514 nan 8.310 nan 0.000 0.554 111 L N 3.752 124.840 121.223 -0.225 0.000 2.514 111 L HA 0.147 4.487 4.340 -0.000 0.000 0.280 111 L C -1.608 175.125 176.870 -0.228 0.000 1.223 111 L CA -1.230 53.500 54.840 -0.184 0.000 0.864 111 L CB -0.164 41.825 42.059 -0.116 0.000 1.118 111 L HN 0.427 nan 8.230 nan 0.000 0.494 112 P HA 0.122 nan 4.420 nan 0.000 0.274 112 P C -0.237 176.937 177.300 -0.209 0.000 1.256 112 P CA -0.282 62.662 63.100 -0.261 0.000 0.795 112 P CB 1.014 32.525 31.700 -0.315 0.000 1.038 113 G N -1.633 107.046 108.800 -0.201 0.000 3.019 113 G HA2 0.664 4.624 3.960 -0.000 0.000 0.152 113 G HA3 0.664 4.624 3.960 -0.000 0.000 0.152 113 G C 0.056 174.882 174.900 -0.125 0.000 1.320 113 G CA -0.380 44.633 45.100 -0.145 0.000 1.013 113 G HN 0.857 nan 8.290 nan 0.000 0.593 114 G N -2.610 106.141 108.800 -0.081 0.000 2.498 114 G HA2 0.065 4.025 3.960 -0.000 0.000 0.651 114 G HA3 0.065 4.025 3.960 -0.000 0.000 0.651 114 G C -0.047 174.824 174.900 -0.048 0.000 1.284 114 G CA -0.439 44.620 45.100 -0.068 0.000 0.950 114 G HN 1.291 nan 8.290 nan 0.000 0.511 115 C N 0.715 119.969 119.300 -0.076 0.000 2.596 115 C HA 0.434 4.894 4.460 -0.000 0.000 0.414 115 C C 2.080 176.990 174.990 -0.133 0.000 1.396 115 C CA 0.859 59.813 59.018 -0.107 0.000 1.698 115 C CB -0.255 27.372 27.740 -0.188 0.000 2.572 115 C HN 1.271 nan 8.230 nan 0.000 0.604 116 T N 0.193 114.689 114.554 -0.097 0.000 3.467 116 T HA 0.194 4.544 4.350 -0.000 0.000 0.232 116 T C 0.675 175.313 174.700 -0.103 0.000 0.876 116 T CA -0.194 61.860 62.100 -0.077 0.000 0.939 116 T CB -0.784 68.066 68.868 -0.031 0.000 1.165 116 T HN 0.713 nan 8.240 nan 0.000 0.615 117 I N -2.129 118.326 120.570 -0.192 0.000 3.749 117 I HA 0.602 4.772 4.170 -0.000 0.000 0.314 117 I C 0.760 176.824 176.117 -0.088 0.000 1.267 117 I CA -0.690 60.481 61.300 -0.215 0.000 1.169 117 I CB -0.560 37.177 38.000 -0.439 0.000 1.009 117 I HN 0.465 nan 8.210 nan 0.000 0.444 118 G N 0.047 108.843 108.800 -0.007 0.000 2.322 118 G HA2 0.437 4.397 3.960 -0.000 0.000 0.295 118 G HA3 0.437 4.397 3.960 -0.000 0.000 0.295 118 G C 0.067 175.007 174.900 0.066 0.000 1.369 118 G CA -0.229 44.933 45.100 0.103 0.000 0.821 118 G HN -0.014 nan 8.290 nan 0.000 0.536 119 A N -0.498 122.361 122.820 0.065 0.000 1.969 119 A HA 0.263 4.583 4.320 -0.000 0.000 0.218 119 A C 1.495 179.102 177.584 0.039 0.000 1.169 119 A CA 1.670 53.729 52.037 0.036 0.000 0.635 119 A CB -0.553 18.463 19.000 0.027 0.000 0.810 119 A HN 1.309 nan 8.150 nan 0.000 0.445 120 R N -1.041 119.509 120.500 0.084 0.000 3.127 120 R HA -0.124 4.216 4.340 -0.000 0.000 0.247 120 R C -2.295 174.020 176.300 0.025 0.000 0.896 120 R CA 0.426 56.580 56.100 0.089 0.000 0.624 120 R CB -1.977 28.377 30.300 0.090 0.000 1.154 120 R HN 0.541 nan 8.270 nan 0.000 0.474 121 P HA 0.073 nan 4.420 nan 0.000 0.274 121 P C 0.601 177.909 177.300 0.013 0.000 1.260 121 P CA -0.104 63.000 63.100 0.006 0.000 0.793 121 P CB 0.704 32.413 31.700 0.014 0.000 1.048 122 V N -3.602 116.315 119.914 0.005 0.000 3.078 122 V HA 0.109 4.229 4.120 -0.000 0.000 0.344 122 V C 1.331 177.499 176.094 0.124 0.000 1.409 122 V CA 0.094 62.420 62.300 0.043 0.000 1.146 122 V CB -0.515 31.192 31.823 -0.192 0.000 1.126 122 V HN 0.500 nan 8.190 nan 0.000 0.513 123 D N 1.446 121.895 120.400 0.081 0.000 2.182 123 D HA -0.251 4.389 4.640 -0.000 0.000 0.201 123 D C 1.721 178.067 176.300 0.077 0.000 0.986 123 D CA 1.606 55.645 54.000 0.064 0.000 0.847 123 D CB -0.019 40.802 40.800 0.036 0.000 0.942 123 D HN 0.553 nan 8.370 nan 0.000 0.467 124 L N -0.067 121.207 121.223 0.085 0.000 2.156 124 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 124 L C 2.766 179.646 176.870 0.017 0.000 1.095 124 L CA 0.788 55.643 54.840 0.024 0.000 0.770 124 L CB -0.582 41.458 42.059 -0.032 0.000 0.914 124 L HN 0.107 nan 8.230 nan 0.000 0.439 125 H N -0.083 118.999 119.070 0.020 0.000 2.326 125 H HA -0.086 4.470 4.556 -0.000 0.000 0.301 125 H C 2.450 177.796 175.328 0.030 0.000 1.081 125 H CA 1.571 57.640 56.048 0.035 0.000 1.334 125 H CB 0.160 29.935 29.762 0.022 0.000 1.385 125 H HN 0.315 nan 8.280 nan 0.000 0.504 126 I N 0.260 120.930 120.570 0.166 0.000 2.179 126 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 126 I C 2.874 179.030 176.117 0.065 0.000 1.088 126 I CA 1.101 62.456 61.300 0.093 0.000 1.357 126 I CB -0.250 37.789 38.000 0.066 0.000 1.051 126 I HN 0.136 nan 8.210 nan 0.000 0.409 127 S N 0.658 116.390 115.700 0.053 0.000 2.368 127 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 127 S C 2.100 176.717 174.600 0.029 0.000 1.030 127 S CA 1.645 59.864 58.200 0.032 0.000 0.999 127 S CB -0.654 62.558 63.200 0.021 0.000 0.844 127 S HN 0.566 nan 8.310 nan 0.000 0.459 128 G N 1.400 110.218 108.800 0.030 0.000 2.421 128 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 128 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 128 G C 1.419 176.341 174.900 0.035 0.000 1.171 128 G CA 0.853 45.968 45.100 0.024 0.000 0.775 128 G HN 0.521 nan 8.290 nan 0.000 0.543 129 L N -0.003 121.251 121.223 0.052 0.000 2.093 129 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 129 L C 2.841 179.734 176.870 0.039 0.000 1.085 129 L CA 1.026 55.897 54.840 0.051 0.000 0.755 129 L CB -0.363 41.738 42.059 0.069 0.000 0.904 129 L HN 0.278 nan 8.230 nan 0.000 0.435 130 E N -0.161 120.061 120.200 0.037 0.000 2.110 130 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 130 E C 2.202 178.816 176.600 0.023 0.000 0.988 130 E CA 0.991 57.408 56.400 0.029 0.000 0.804 130 E CB -0.027 29.689 29.700 0.027 0.000 0.745 130 E HN 0.541 nan 8.360 nan 0.000 0.458 131 Q N 0.050 119.864 119.800 0.023 0.000 2.291 131 Q HA -0.064 4.276 4.340 -0.000 0.000 0.205 131 Q C 1.856 177.868 176.000 0.021 0.000 0.970 131 Q CA 0.642 56.458 55.803 0.020 0.000 0.876 131 Q CB 0.116 28.866 28.738 0.020 0.000 0.935 131 Q HN 0.317 nan 8.270 nan 0.000 0.455 132 L N -1.131 120.104 121.223 0.021 0.000 2.591 132 L HA 0.124 4.464 4.340 -0.000 0.000 0.228 132 L C 1.097 177.974 176.870 0.013 0.000 1.133 132 L CA 0.510 55.360 54.840 0.017 0.000 0.880 132 L CB 0.213 42.283 42.059 0.018 0.000 1.033 132 L HN 0.423 nan 8.230 nan 0.000 0.450 133 G N -0.500 108.309 108.800 0.015 0.000 2.192 133 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.193 133 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.193 133 G C 0.350 175.258 174.900 0.014 0.000 0.999 133 G CA -0.156 44.952 45.100 0.012 0.000 0.659 133 G HN 0.407 nan 8.290 nan 0.000 0.503 134 A N 0.277 123.108 122.820 0.019 0.000 2.371 134 A HA 0.712 5.032 4.320 -0.000 0.000 0.257 134 A C 0.518 178.117 177.584 0.024 0.000 1.089 134 A CA 0.990 53.040 52.037 0.023 0.000 0.794 134 A CB 0.522 19.542 19.000 0.032 0.000 1.029 134 A HN 0.658 nan 8.150 nan 0.000 0.488 135 T N 2.323 116.891 114.554 0.024 0.000 2.795 135 T HA 0.565 4.915 4.350 -0.000 0.000 0.282 135 T C -0.309 174.410 174.700 0.031 0.000 0.980 135 T CA 0.198 62.313 62.100 0.024 0.000 1.012 135 T CB 0.183 69.063 68.868 0.020 0.000 0.936 135 T HN 0.418 nan 8.240 nan 0.000 0.457 136 I N 3.848 124.438 120.570 0.033 0.000 2.498 136 I HA 0.476 4.646 4.170 -0.000 0.000 0.290 136 I C -0.272 175.867 176.117 0.037 0.000 1.032 136 I CA -1.027 60.296 61.300 0.039 0.000 1.073 136 I CB 2.067 40.093 38.000 0.043 0.000 1.251 136 I HN 0.541 nan 8.210 nan 0.000 0.426 137 K N 6.264 126.689 120.400 0.042 0.000 2.371 137 K HA 0.658 4.978 4.320 -0.000 0.000 0.251 137 K C -1.782 174.849 176.600 0.052 0.000 0.934 137 K CA -0.874 55.437 56.287 0.040 0.000 0.798 137 K CB 2.248 34.769 32.500 0.035 0.000 1.204 137 K HN 0.280 nan 8.250 nan 0.000 0.427 138 L N 3.368 124.619 121.223 0.048 0.000 2.280 138 L HA 0.409 4.749 4.340 -0.000 0.000 0.287 138 L C -0.444 176.462 176.870 0.059 0.000 1.023 138 L CA -0.100 54.774 54.840 0.056 0.000 0.819 138 L CB 0.337 42.421 42.059 0.041 0.000 1.212 138 L HN 0.999 nan 8.230 nan 0.000 0.420 139 E N 2.381 122.631 120.200 0.084 0.000 2.291 139 E HA 0.375 4.725 4.350 -0.000 0.000 0.276 139 E C -0.887 175.779 176.600 0.110 0.000 0.896 139 E CA -0.677 55.767 56.400 0.074 0.000 0.774 139 E CB 1.574 31.302 29.700 0.047 0.000 1.227 139 E HN 0.541 nan 8.360 nan 0.000 0.413 140 E N 1.846 122.099 120.200 0.090 0.000 2.389 140 E HA -0.305 4.045 4.350 -0.000 0.000 0.243 140 E C 0.720 177.432 176.600 0.188 0.000 1.154 140 E CA 0.683 57.149 56.400 0.110 0.000 0.723 140 E CB -1.700 28.052 29.700 0.087 0.000 1.261 140 E HN 1.225 nan 8.360 nan 0.000 0.390 141 G N -1.054 107.826 108.800 0.134 0.000 2.184 141 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.264 141 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.264 141 G C -0.141 174.796 174.900 0.062 0.000 0.975 141 G CA 0.760 45.916 45.100 0.094 0.000 0.642 141 G HN 0.356 nan 8.290 nan 0.000 0.536 142 Y N -0.269 120.055 120.300 0.042 0.000 2.342 142 Y HA 0.553 5.102 4.550 -0.000 0.000 0.334 142 Y C 0.566 176.481 175.900 0.025 0.000 1.067 142 Y CA -0.812 57.313 58.100 0.041 0.000 1.128 142 Y CB 2.055 40.543 38.460 0.046 0.000 1.200 142 Y HN 0.056 nan 8.280 nan 0.000 0.464 143 V N 5.177 125.169 119.914 0.130 0.000 2.364 143 V HA 0.298 4.418 4.120 -0.000 0.000 0.272 143 V C -0.443 175.726 176.094 0.124 0.000 1.036 143 V CA -1.039 61.313 62.300 0.088 0.000 0.880 143 V CB 0.629 32.467 31.823 0.024 0.000 0.991 143 V HN 0.610 nan 8.190 nan 0.000 0.460 144 K N 4.224 124.690 120.400 0.110 0.000 2.339 144 K HA 0.789 5.109 4.320 -0.000 0.000 0.264 144 K C -0.387 176.258 176.600 0.075 0.000 0.986 144 K CA -0.291 56.057 56.287 0.102 0.000 0.866 144 K CB 2.234 34.786 32.500 0.086 0.000 1.103 144 K HN 0.738 nan 8.250 nan 0.000 0.441 145 A N 1.843 124.708 122.820 0.075 0.000 2.355 145 A HA 0.779 5.099 4.320 -0.000 0.000 0.324 145 A C -0.596 177.017 177.584 0.048 0.000 1.117 145 A CA -0.612 51.461 52.037 0.060 0.000 0.785 145 A CB 1.225 20.264 19.000 0.065 0.000 1.254 145 A HN 0.713 nan 8.150 nan 0.000 0.453 146 S N -0.435 115.285 115.700 0.034 0.000 2.565 146 S HA 0.746 5.216 4.470 -0.000 0.000 0.269 146 S C -1.362 173.246 174.600 0.012 0.000 1.153 146 S CA -0.470 57.741 58.200 0.019 0.000 0.835 146 S CB 1.225 64.435 63.200 0.018 0.000 1.122 146 S HN 2.126 nan 8.310 nan 0.000 0.462 147 V N 0.782 120.697 119.914 0.001 0.000 3.000 147 V HA 0.580 4.700 4.120 -0.000 0.000 0.300 147 V C -2.038 174.051 176.094 -0.008 0.000 1.251 147 V CA -0.524 61.776 62.300 -0.001 0.000 0.972 147 V CB 2.168 33.990 31.823 -0.002 0.000 1.065 147 V HN 1.134 nan 8.190 nan 0.000 0.431 148 D N 4.389 124.786 120.400 -0.005 0.000 2.380 148 D HA 0.652 5.292 4.640 -0.000 0.000 0.230 148 D C 0.455 176.749 176.300 -0.010 0.000 1.154 148 D CA 1.932 55.928 54.000 -0.007 0.000 0.859 148 D CB 0.814 41.613 40.800 -0.002 0.000 1.045 148 D HN 1.375 nan 8.370 nan 0.000 0.495 149 G N 3.291 112.081 108.800 -0.017 0.000 2.587 149 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.212 149 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.212 149 G C -0.292 174.592 174.900 -0.028 0.000 1.327 149 G CA -0.802 44.286 45.100 -0.021 0.000 0.898 149 G HN 0.635 nan 8.290 nan 0.000 0.551 150 R N -0.672 119.811 120.500 -0.029 0.000 2.615 150 R HA 0.554 4.894 4.340 -0.000 0.000 0.270 150 R C 0.960 177.247 176.300 -0.022 0.000 1.081 150 R CA -0.523 55.558 56.100 -0.033 0.000 1.154 150 R CB 0.314 30.593 30.300 -0.035 0.000 1.063 150 R HN 0.462 nan 8.270 nan 0.000 0.519 151 L N 1.585 122.795 121.223 -0.021 0.000 2.476 151 L HA 0.197 4.537 4.340 -0.000 0.000 0.255 151 L C 0.303 177.167 176.870 -0.011 0.000 1.218 151 L CA 0.255 55.089 54.840 -0.011 0.000 0.819 151 L CB 0.326 42.381 42.059 -0.007 0.000 1.119 151 L HN 0.407 nan 8.230 nan 0.000 0.485 152 K N 0.164 120.561 120.400 -0.005 0.000 2.378 152 K HA 0.384 4.704 4.320 -0.000 0.000 0.252 152 K C -0.264 176.334 176.600 -0.002 0.000 0.931 152 K CA -0.696 55.588 56.287 -0.006 0.000 0.794 152 K CB 1.897 34.395 32.500 -0.003 0.000 1.181 152 K HN 0.713 nan 8.250 nan 0.000 0.425 153 G N 1.078 109.874 108.800 -0.007 0.000 2.414 153 G HA2 0.385 4.345 3.960 -0.000 0.000 0.236 153 G HA3 0.385 4.345 3.960 -0.000 0.000 0.236 153 G C -0.613 174.291 174.900 0.005 0.000 1.293 153 G CA -0.096 45.000 45.100 -0.006 0.000 0.869 153 G HN 0.605 nan 8.290 nan 0.000 0.556 154 A N 1.385 124.215 122.820 0.016 0.000 2.594 154 A HA 0.661 4.981 4.320 -0.000 0.000 0.291 154 A C -0.908 176.726 177.584 0.085 0.000 1.105 154 A CA -0.742 51.322 52.037 0.045 0.000 0.694 154 A CB 1.108 20.133 19.000 0.043 0.000 1.291 154 A HN 0.929 nan 8.150 nan 0.000 0.410 155 H N 0.878 119.944 119.070 -0.006 0.000 2.761 155 H HA 0.574 5.130 4.556 -0.000 0.000 0.284 155 H C -0.987 174.337 175.328 -0.006 0.000 1.105 155 H CA -0.382 55.662 56.048 -0.007 0.000 1.352 155 H CB 0.172 29.930 29.762 -0.006 0.000 1.423 155 H HN 0.456 nan 8.280 nan 0.000 0.464 156 I N 6.498 127.185 120.570 0.196 0.000 2.330 156 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 156 I C -0.498 175.644 176.117 0.042 0.000 1.001 156 I CA -0.818 60.525 61.300 0.071 0.000 1.193 156 I CB 1.679 39.709 38.000 0.050 0.000 1.345 156 I HN 0.343 nan 8.210 nan 0.000 0.461 157 V N 7.428 127.323 119.914 -0.032 0.000 2.304 157 V HA 0.282 4.402 4.120 -0.000 0.000 0.269 157 V C 0.521 176.599 176.094 -0.027 0.000 1.036 157 V CA -0.466 61.807 62.300 -0.045 0.000 0.840 157 V CB 0.805 32.566 31.823 -0.103 0.000 1.036 157 V HN 0.691 nan 8.190 nan 0.000 0.466 158 M N 4.210 123.802 119.600 -0.014 0.000 2.268 158 M HA 0.090 4.570 4.480 -0.000 0.000 0.349 158 M C 0.961 177.248 176.300 -0.022 0.000 1.485 158 M CA -0.147 55.142 55.300 -0.018 0.000 1.094 158 M CB 0.309 32.898 32.600 -0.019 0.000 1.843 158 M HN 0.758 nan 8.290 nan 0.000 0.460 159 D N 1.591 121.977 120.400 -0.023 0.000 2.363 159 D HA 0.041 4.681 4.640 -0.000 0.000 0.226 159 D C -0.240 176.046 176.300 -0.024 0.000 1.020 159 D CA 0.677 54.663 54.000 -0.023 0.000 0.892 159 D CB 0.231 41.018 40.800 -0.021 0.000 0.900 159 D HN 0.394 nan 8.370 nan 0.000 0.531 160 K N -0.298 120.086 120.400 -0.027 0.000 2.542 160 K HA 0.383 4.703 4.320 -0.000 0.000 0.259 160 K C -1.504 175.075 176.600 -0.034 0.000 0.932 160 K CA -0.942 55.325 56.287 -0.033 0.000 0.820 160 K CB 3.222 35.700 32.500 -0.037 0.000 1.345 160 K HN -0.208 nan 8.250 nan 0.000 0.432 161 V N 2.004 121.896 119.914 -0.036 0.000 2.508 161 V HA 0.225 4.345 4.120 -0.000 0.000 0.281 161 V C -0.071 175.999 176.094 -0.040 0.000 1.041 161 V CA 0.106 62.388 62.300 -0.030 0.000 1.016 161 V CB 1.150 32.960 31.823 -0.022 0.000 0.984 161 V HN 0.718 nan 8.190 nan 0.000 0.478 162 S N 3.884 119.565 115.700 -0.031 0.000 2.677 162 S HA 0.388 4.858 4.470 -0.000 0.000 0.283 162 S C 0.444 175.050 174.600 0.011 0.000 1.159 162 S CA -0.593 57.592 58.200 -0.025 0.000 1.001 162 S CB 1.864 65.034 63.200 -0.050 0.000 1.032 162 S HN 0.319 nan 8.310 nan 0.000 0.487 163 V N 5.294 125.243 119.914 0.058 0.000 2.233 163 V HA -0.044 4.076 4.120 -0.000 0.000 0.247 163 V C 2.695 178.908 176.094 0.199 0.000 1.050 163 V CA 2.683 65.051 62.300 0.114 0.000 1.010 163 V CB -1.196 30.718 31.823 0.152 0.000 0.637 163 V HN 0.965 nan 8.190 nan 0.000 0.444 164 G N -0.765 108.207 108.800 0.288 0.000 2.418 164 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 164 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 164 G C 1.714 176.753 174.900 0.232 0.000 1.158 164 G CA 1.037 46.461 45.100 0.540 0.000 0.771 164 G HN 0.627 nan 8.290 nan 0.000 0.545 165 A N 0.076 122.701 122.820 -0.326 0.000 1.968 165 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 165 A C 2.497 179.977 177.584 -0.174 0.000 1.169 165 A CA 2.211 53.868 52.037 -0.634 0.000 0.638 165 A CB -0.735 17.941 19.000 -0.541 0.000 0.812 165 A HN 0.271 nan 8.150 nan 0.000 0.446 166 T N -0.209 114.307 114.554 -0.064 0.000 2.720 166 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 166 T C 1.885 176.577 174.700 -0.013 0.000 1.037 166 T CA 1.666 63.751 62.100 -0.025 0.000 1.144 166 T CB -0.402 68.462 68.868 -0.007 0.000 0.864 166 T HN 0.154 nan 8.240 nan 0.000 0.444 167 V N 1.348 121.270 119.914 0.014 0.000 2.295 167 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 167 V C 2.798 178.879 176.094 -0.021 0.000 1.049 167 V CA 2.061 64.313 62.300 -0.080 0.000 1.024 167 V CB -1.116 30.518 31.823 -0.314 0.000 0.648 167 V HN 0.518 nan 8.190 nan 0.000 0.447 168 T N 0.278 114.921 114.554 0.148 0.000 2.684 168 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 168 T C 1.777 176.531 174.700 0.090 0.000 1.036 168 T CA 2.012 64.238 62.100 0.210 0.000 1.148 168 T CB -0.294 68.784 68.868 0.349 0.000 0.863 168 T HN 0.360 nan 8.240 nan 0.000 0.436 169 I N 0.615 121.207 120.570 0.037 0.000 2.202 169 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 169 I C 2.578 178.699 176.117 0.007 0.000 1.091 169 I CA 1.244 62.556 61.300 0.019 0.000 1.368 169 I CB -0.394 37.607 38.000 0.001 0.000 1.058 169 I HN 0.255 nan 8.210 nan 0.000 0.410 170 M N 0.274 119.869 119.600 -0.008 0.000 2.080 170 M HA -0.262 4.218 4.480 -0.000 0.000 0.260 170 M C 2.514 178.800 176.300 -0.023 0.000 1.068 170 M CA 2.052 57.339 55.300 -0.022 0.000 1.109 170 M CB -0.213 32.365 32.600 -0.037 0.000 1.342 170 M HN 0.357 nan 8.290 nan 0.000 0.405 171 C N 0.503 119.791 119.300 -0.020 0.000 2.432 171 C HA -0.044 4.416 4.460 -0.000 0.000 0.277 171 C C 3.017 178.010 174.990 0.006 0.000 1.249 171 C CA 1.004 60.016 59.018 -0.010 0.000 1.725 171 C CB -1.595 26.146 27.740 0.002 0.000 2.028 171 C HN 0.751 nan 8.230 nan 0.000 0.477 172 A N 0.559 123.394 122.820 0.024 0.000 1.933 172 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 172 A C 2.337 179.922 177.584 0.001 0.000 1.175 172 A CA 1.902 53.953 52.037 0.024 0.000 0.628 172 A CB -0.820 18.206 19.000 0.043 0.000 0.814 172 A HN 0.583 nan 8.150 nan 0.000 0.444 173 A N -0.059 122.759 122.820 -0.004 0.000 2.019 173 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 173 A C 2.324 179.891 177.584 -0.027 0.000 1.164 173 A CA 2.267 54.295 52.037 -0.014 0.000 0.644 173 A CB -1.372 17.619 19.000 -0.014 0.000 0.805 173 A HN 0.815 nan 8.150 nan 0.000 0.449 174 T N -2.255 112.279 114.554 -0.033 0.000 2.929 174 T HA 0.003 4.353 4.350 -0.000 0.000 0.271 174 T C 1.290 175.959 174.700 -0.051 0.000 1.085 174 T CA 1.431 63.503 62.100 -0.047 0.000 1.125 174 T CB -0.314 68.518 68.868 -0.060 0.000 0.874 174 T HN 0.339 nan 8.240 nan 0.000 0.494 175 L N 0.230 121.425 121.223 -0.047 0.000 2.808 175 L HA 0.540 4.880 4.340 -0.000 0.000 0.246 175 L C 1.359 178.200 176.870 -0.048 0.000 1.153 175 L CA -0.518 54.288 54.840 -0.056 0.000 0.956 175 L CB -0.167 41.848 42.059 -0.073 0.000 1.270 175 L HN 0.284 nan 8.230 nan 0.000 0.528 176 A N 0.481 123.279 122.820 -0.036 0.000 2.313 176 A HA 0.188 4.508 4.320 -0.000 0.000 0.261 176 A C 0.176 177.743 177.584 -0.030 0.000 1.090 176 A CA -0.202 51.818 52.037 -0.029 0.000 0.807 176 A CB 0.359 19.348 19.000 -0.019 0.000 1.055 176 A HN 0.255 nan 8.150 nan 0.000 0.492 177 E N 0.179 120.364 120.200 -0.025 0.000 2.152 177 E HA 0.454 4.804 4.350 -0.000 0.000 0.285 177 E C 0.558 177.145 176.600 -0.021 0.000 1.043 177 E CA 0.723 57.108 56.400 -0.024 0.000 0.839 177 E CB 0.147 29.835 29.700 -0.020 0.000 1.069 177 E HN 1.429 nan 8.360 nan 0.000 0.399 178 G N 2.986 111.772 108.800 -0.024 0.000 2.582 178 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.222 178 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.222 178 G C -0.579 174.304 174.900 -0.029 0.000 1.311 178 G CA -0.444 44.642 45.100 -0.024 0.000 0.915 178 G HN 0.531 nan 8.290 nan 0.000 0.528 179 T N 1.120 115.654 114.554 -0.033 0.000 2.824 179 T HA 0.682 5.032 4.350 -0.000 0.000 0.280 179 T C 0.052 174.726 174.700 -0.044 0.000 0.995 179 T CA 0.218 62.293 62.100 -0.043 0.000 1.009 179 T CB 1.539 70.375 68.868 -0.054 0.000 0.955 179 T HN 0.739 nan 8.240 nan 0.000 0.452 180 T N 3.663 118.192 114.554 -0.043 0.000 2.797 180 T HA 0.602 4.952 4.350 -0.000 0.000 0.279 180 T C -0.220 174.448 174.700 -0.053 0.000 0.991 180 T CA -0.498 61.583 62.100 -0.033 0.000 0.979 180 T CB 0.539 69.398 68.868 -0.015 0.000 0.943 180 T HN 0.414 nan 8.240 nan 0.000 0.444 181 I N 3.921 124.454 120.570 -0.063 0.000 2.410 181 I HA 0.432 4.602 4.170 -0.000 0.000 0.286 181 I C -0.508 175.641 176.117 0.054 0.000 1.009 181 I CA -0.735 60.516 61.300 -0.081 0.000 1.111 181 I CB 1.528 39.328 38.000 -0.335 0.000 1.262 181 I HN 0.459 nan 8.210 nan 0.000 0.443 182 I N 6.243 126.836 120.570 0.039 0.000 2.312 182 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 182 I C 0.119 176.274 176.117 0.064 0.000 1.008 182 I CA -0.507 60.826 61.300 0.055 0.000 1.226 182 I CB 0.827 38.839 38.000 0.020 0.000 1.371 182 I HN 0.473 nan 8.210 nan 0.000 0.468 183 E N 5.837 126.087 120.200 0.082 0.000 2.222 183 E HA 0.292 4.642 4.350 -0.000 0.000 0.272 183 E C -0.126 176.488 176.600 0.025 0.000 0.982 183 E CA -0.561 55.876 56.400 0.062 0.000 0.842 183 E CB 1.139 30.880 29.700 0.068 0.000 1.144 183 E HN 0.485 nan 8.360 nan 0.000 0.397 184 N N -0.598 118.112 118.700 0.017 0.000 2.747 184 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 184 N C -0.499 175.014 175.510 0.005 0.000 1.107 184 N CA 0.999 54.053 53.050 0.006 0.000 0.707 184 N CB -1.558 36.926 38.487 -0.004 0.000 1.054 184 N HN 0.611 nan 8.380 nan 0.000 0.555 185 A N -0.148 122.678 122.820 0.011 0.000 2.462 185 A HA 0.601 4.921 4.320 -0.000 0.000 0.243 185 A C 1.019 178.611 177.584 0.014 0.000 1.076 185 A CA 0.367 52.409 52.037 0.008 0.000 0.773 185 A CB 0.381 19.387 19.000 0.009 0.000 1.010 185 A HN 0.562 nan 8.150 nan 0.000 0.493 186 A N 1.802 124.630 122.820 0.013 0.000 2.462 186 A HA 0.426 4.746 4.320 -0.000 0.000 0.243 186 A C 0.932 178.538 177.584 0.037 0.000 1.076 186 A CA -0.101 51.953 52.037 0.027 0.000 0.773 186 A CB 0.024 19.041 19.000 0.029 0.000 1.010 186 A HN 0.846 nan 8.150 nan 0.000 0.493 187 R N 0.364 120.905 120.500 0.070 0.000 2.397 187 R HA 0.120 4.460 4.340 -0.000 0.000 0.241 187 R C -0.404 175.953 176.300 0.096 0.000 0.914 187 R CA -0.151 56.007 56.100 0.097 0.000 1.071 187 R CB 0.207 30.588 30.300 0.134 0.000 1.116 187 R HN 0.791 nan 8.270 nan 0.000 0.524 188 E N 1.221 121.432 120.200 0.018 0.000 2.534 188 E HA -0.085 4.265 4.350 -0.000 0.000 0.264 188 E C -1.670 174.789 176.600 -0.234 0.000 0.981 188 E CA -0.820 55.466 56.400 -0.190 0.000 0.948 188 E CB 0.414 30.061 29.700 -0.089 0.000 0.934 188 E HN -0.087 nan 8.360 nan 0.000 0.459 189 P HA -0.165 nan 4.420 nan 0.000 0.218 189 P C 0.221 177.456 177.300 -0.108 0.000 1.146 189 P CA 1.198 64.169 63.100 -0.215 0.000 0.813 189 P CB 0.285 31.844 31.700 -0.235 0.000 0.778 190 E N -1.280 118.858 120.200 -0.104 0.000 2.274 190 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 190 E C 1.833 178.390 176.600 -0.072 0.000 0.996 190 E CA 0.620 56.980 56.400 -0.066 0.000 0.840 190 E CB -0.635 29.035 29.700 -0.050 0.000 0.772 190 E HN 0.210 nan 8.360 nan 0.000 0.491 191 I N 0.045 120.574 120.570 -0.067 0.000 2.286 191 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 191 I C 2.024 178.113 176.117 -0.046 0.000 1.104 191 I CA 0.778 62.041 61.300 -0.062 0.000 1.397 191 I CB -0.766 37.212 38.000 -0.037 0.000 1.072 191 I HN 0.024 nan 8.210 nan 0.000 0.417 192 V N 1.018 120.913 119.914 -0.031 0.000 2.343 192 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 192 V C 2.277 178.378 176.094 0.013 0.000 1.051 192 V CA 2.093 64.389 62.300 -0.006 0.000 1.036 192 V CB -0.618 31.207 31.823 0.004 0.000 0.654 192 V HN 0.298 nan 8.190 nan 0.000 0.451 193 D N -0.258 120.156 120.400 0.023 0.000 2.117 193 D HA -0.140 4.499 4.640 -0.000 0.000 0.197 193 D C 2.269 178.560 176.300 -0.014 0.000 0.987 193 D CA 1.737 55.790 54.000 0.090 0.000 0.829 193 D CB -0.123 40.737 40.800 0.102 0.000 0.961 193 D HN 0.387 nan 8.370 nan 0.000 0.460 194 T N -0.352 114.164 114.554 -0.064 0.000 2.746 194 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 194 T C 1.916 176.578 174.700 -0.064 0.000 1.039 194 T CA 1.377 63.424 62.100 -0.089 0.000 1.142 194 T CB -0.410 68.370 68.868 -0.145 0.000 0.866 194 T HN 0.214 nan 8.240 nan 0.000 0.444 195 A N 2.464 125.245 122.820 -0.065 0.000 1.902 195 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 195 A C 2.231 179.763 177.584 -0.087 0.000 1.181 195 A CA 1.522 53.520 52.037 -0.065 0.000 0.623 195 A CB -0.592 18.382 19.000 -0.043 0.000 0.818 195 A HN 0.382 nan 8.150 nan 0.000 0.443 196 N N -1.102 117.556 118.700 -0.069 0.000 2.244 196 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 196 N C 1.349 176.701 175.510 -0.265 0.000 1.016 196 N CA 1.297 54.316 53.050 -0.052 0.000 0.866 196 N CB -0.558 38.014 38.487 0.142 0.000 0.980 196 N HN 0.563 nan 8.380 nan 0.000 0.430 197 F N 1.752 121.246 119.950 -0.760 0.000 2.113 197 F HA -0.004 4.523 4.527 -0.000 0.000 0.297 197 F C 1.968 177.533 175.800 -0.390 0.000 1.103 197 F CA 0.984 58.404 58.000 -0.967 0.000 1.248 197 F CB -0.515 37.947 39.000 -0.897 0.000 0.999 197 F HN -0.101 nan 8.300 nan 0.000 0.475 198 L N 0.118 121.086 121.223 -0.425 0.000 2.042 198 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 198 L C 2.550 179.225 176.870 -0.324 0.000 1.076 198 L CA 1.505 56.099 54.840 -0.410 0.000 0.749 198 L CB -0.745 41.202 42.059 -0.188 0.000 0.893 198 L HN 0.199 nan 8.230 nan 0.000 0.432 199 I N -0.606 119.831 120.570 -0.221 0.000 2.286 199 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 199 I C 2.441 178.468 176.117 -0.150 0.000 1.115 199 I CA 1.438 62.652 61.300 -0.144 0.000 1.392 199 I CB -0.504 37.448 38.000 -0.079 0.000 1.065 199 I HN 0.279 nan 8.210 nan 0.000 0.418 200 T N 1.367 115.808 114.554 -0.188 0.000 2.759 200 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 200 T C 1.775 176.362 174.700 -0.187 0.000 1.042 200 T CA 1.180 63.200 62.100 -0.134 0.000 1.140 200 T CB -0.241 68.585 68.868 -0.071 0.000 0.864 200 T HN 0.306 nan 8.240 nan 0.000 0.455 201 L N 0.042 121.071 121.223 -0.324 0.000 2.552 201 L HA 0.245 4.585 4.340 -0.000 0.000 0.227 201 L C 2.025 178.791 176.870 -0.172 0.000 1.146 201 L CA 0.620 55.295 54.840 -0.275 0.000 0.858 201 L CB -0.330 41.492 42.059 -0.395 0.000 0.969 201 L HN 0.529 nan 8.230 nan 0.000 0.451 202 G N -0.621 108.089 108.800 -0.150 0.000 2.205 202 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.180 202 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.180 202 G C 0.342 175.183 174.900 -0.099 0.000 1.004 202 G CA -0.196 44.842 45.100 -0.104 0.000 0.670 202 G HN 0.414 nan 8.290 nan 0.000 0.496 203 A N 0.101 122.847 122.820 -0.123 0.000 2.366 203 A HA 0.671 4.991 4.320 -0.000 0.000 0.249 203 A C 0.406 177.942 177.584 -0.080 0.000 1.084 203 A CA 0.396 52.372 52.037 -0.102 0.000 0.794 203 A CB 0.367 19.296 19.000 -0.118 0.000 1.034 203 A HN 0.351 nan 8.150 nan 0.000 0.491 204 K N 1.110 121.472 120.400 -0.065 0.000 2.464 204 K HA 0.582 4.902 4.320 -0.000 0.000 0.252 204 K C -1.446 175.125 176.600 -0.049 0.000 1.000 204 K CA 0.326 56.582 56.287 -0.052 0.000 0.951 204 K CB 1.007 33.480 32.500 -0.045 0.000 1.183 204 K HN 0.587 nan 8.250 nan 0.000 0.445 205 I N 1.505 122.047 120.570 -0.047 0.000 2.619 205 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 205 I C -0.402 175.696 176.117 -0.032 0.000 1.100 205 I CA -0.684 60.592 61.300 -0.042 0.000 1.043 205 I CB 2.333 40.305 38.000 -0.047 0.000 1.239 205 I HN 0.550 nan 8.210 nan 0.000 0.420 206 S N 2.253 117.936 115.700 -0.028 0.000 2.588 206 S HA 0.832 5.302 4.470 -0.000 0.000 0.275 206 S C 0.262 174.852 174.600 -0.017 0.000 1.130 206 S CA -0.041 58.147 58.200 -0.020 0.000 0.855 206 S CB 2.000 65.188 63.200 -0.020 0.000 1.116 206 S HN 1.376 nan 8.310 nan 0.000 0.472 207 G N 0.705 109.500 108.800 -0.010 0.000 2.176 207 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 207 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 207 G C 0.134 175.034 174.900 -0.000 0.000 0.979 207 G CA 0.187 45.285 45.100 -0.005 0.000 0.641 207 G HN 1.291 nan 8.290 nan 0.000 0.530 208 Q N 0.344 120.142 119.800 -0.003 0.000 2.286 208 Q HA 0.389 4.729 4.340 -0.000 0.000 0.290 208 Q C 1.168 177.175 176.000 0.011 0.000 1.049 208 Q CA 1.089 56.891 55.803 -0.001 0.000 0.923 208 Q CB 0.918 29.651 28.738 -0.008 0.000 1.183 208 Q HN 1.831 nan 8.270 nan 0.000 0.383 209 G N 2.221 111.032 108.800 0.019 0.000 2.213 209 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.226 209 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.226 209 G C 0.244 175.172 174.900 0.046 0.000 0.992 209 G CA 0.310 45.434 45.100 0.039 0.000 0.632 209 G HN 1.159 nan 8.290 nan 0.000 0.511 210 T N -1.776 112.795 114.554 0.029 0.000 2.905 210 T HA 0.562 4.912 4.350 -0.000 0.000 0.283 210 T C 0.991 175.704 174.700 0.022 0.000 1.031 210 T CA 0.577 62.691 62.100 0.024 0.000 1.002 210 T CB 1.844 70.721 68.868 0.015 0.000 1.200 210 T HN 0.245 nan 8.240 nan 0.000 0.560 211 D N -0.680 119.731 120.400 0.019 0.000 2.363 211 D HA -0.047 4.593 4.640 -0.000 0.000 0.226 211 D C 0.647 176.959 176.300 0.020 0.000 1.020 211 D CA 0.054 54.065 54.000 0.018 0.000 0.892 211 D CB 0.159 40.968 40.800 0.015 0.000 0.900 211 D HN 0.579 nan 8.370 nan 0.000 0.531 212 R N 0.594 121.104 120.500 0.017 0.000 2.473 212 R HA 0.484 4.824 4.340 -0.000 0.000 0.303 212 R C -1.236 175.067 176.300 0.005 0.000 1.002 212 R CA -0.563 55.548 56.100 0.018 0.000 0.884 212 R CB 0.854 31.166 30.300 0.021 0.000 1.173 212 R HN -0.061 nan 8.270 nan 0.000 0.464 213 I N 4.685 125.257 120.570 0.002 0.000 2.377 213 I HA 0.352 4.522 4.170 -0.000 0.000 0.293 213 I C -0.436 175.668 176.117 -0.022 0.000 0.987 213 I CA -1.158 60.136 61.300 -0.010 0.000 1.185 213 I CB 2.139 40.133 38.000 -0.010 0.000 1.341 213 I HN 0.245 nan 8.210 nan 0.000 0.455 214 V N 7.385 127.281 119.914 -0.031 0.000 2.417 214 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 214 V C -0.309 175.760 176.094 -0.041 0.000 1.024 214 V CA -0.472 61.801 62.300 -0.045 0.000 0.861 214 V CB 1.778 33.570 31.823 -0.051 0.000 0.985 214 V HN 0.430 nan 8.190 nan 0.000 0.436 215 I N 3.692 124.236 120.570 -0.042 0.000 2.436 215 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 215 I C -0.046 176.046 176.117 -0.042 0.000 1.010 215 I CA -0.188 61.087 61.300 -0.041 0.000 1.098 215 I CB 1.899 39.877 38.000 -0.036 0.000 1.266 215 I HN 0.617 nan 8.210 nan 0.000 0.434 216 E N 4.848 125.022 120.200 -0.042 0.000 2.109 216 E HA 0.511 4.861 4.350 -0.000 0.000 0.278 216 E C 0.100 176.676 176.600 -0.041 0.000 0.954 216 E CA -0.635 55.741 56.400 -0.040 0.000 0.779 216 E CB 1.150 30.826 29.700 -0.039 0.000 1.093 216 E HN 0.828 nan 8.360 nan 0.000 0.401 217 G N 2.495 111.272 108.800 -0.038 0.000 2.554 217 G HA2 0.319 4.279 3.960 -0.000 0.000 0.238 217 G HA3 0.319 4.279 3.960 -0.000 0.000 0.238 217 G C 0.000 174.875 174.900 -0.042 0.000 1.259 217 G CA -0.050 45.025 45.100 -0.040 0.000 0.843 217 G HN 0.432 nan 8.290 nan 0.000 0.582 218 V N -0.795 119.090 119.914 -0.048 0.000 3.126 218 V HA 0.558 4.678 4.120 -0.000 0.000 0.314 218 V C 0.849 176.912 176.094 -0.051 0.000 1.138 218 V CA -0.767 61.504 62.300 -0.048 0.000 1.034 218 V CB 1.955 33.746 31.823 -0.053 0.000 1.075 218 V HN 0.783 nan 8.190 nan 0.000 0.442 219 E N 1.046 121.216 120.200 -0.048 0.000 2.072 219 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 219 E C 0.461 177.023 176.600 -0.064 0.000 0.985 219 E CA 1.663 58.032 56.400 -0.052 0.000 0.801 219 E CB 0.150 29.825 29.700 -0.043 0.000 0.750 219 E HN 0.771 nan 8.360 nan 0.000 0.452 220 R N -0.717 119.745 120.500 -0.063 0.000 2.710 220 R HA 0.501 4.841 4.340 -0.000 0.000 0.270 220 R C -1.323 174.935 176.300 -0.070 0.000 1.021 220 R CA -0.710 55.348 56.100 -0.071 0.000 0.889 220 R CB 0.921 31.184 30.300 -0.061 0.000 1.243 220 R HN -0.155 nan 8.270 nan 0.000 0.464 221 L N 1.267 122.443 121.223 -0.077 0.000 2.331 221 L HA 0.644 4.984 4.340 -0.000 0.000 0.275 221 L C 0.627 177.454 176.870 -0.073 0.000 1.022 221 L CA -0.677 54.110 54.840 -0.088 0.000 0.812 221 L CB 1.940 43.933 42.059 -0.110 0.000 1.257 221 L HN 1.002 nan 8.230 nan 0.000 0.435 222 G N 0.714 109.467 108.800 -0.079 0.000 3.022 222 G HA2 0.631 4.591 3.960 -0.000 0.000 0.157 222 G HA3 0.631 4.591 3.960 -0.000 0.000 0.157 222 G C -0.138 174.729 174.900 -0.056 0.000 1.468 222 G CA 0.172 45.239 45.100 -0.054 0.000 1.058 222 G HN 0.737 nan 8.290 nan 0.000 0.581 223 G N -2.802 105.975 108.800 -0.039 0.000 3.211 223 G HA2 0.738 4.698 3.960 -0.000 0.000 0.262 223 G HA3 0.738 4.698 3.960 -0.000 0.000 0.262 223 G C -0.393 174.496 174.900 -0.018 0.000 1.352 223 G CA 0.003 45.093 45.100 -0.015 0.000 1.004 223 G HN 1.710 nan 8.290 nan 0.000 0.559 224 G N -2.678 106.148 108.800 0.043 0.000 2.317 224 G HA2 0.529 4.489 3.960 -0.000 0.000 0.293 224 G HA3 0.529 4.489 3.960 -0.000 0.000 0.293 224 G C -2.120 172.871 174.900 0.152 0.000 1.287 224 G CA -0.009 45.132 45.100 0.068 0.000 0.850 224 G HN 1.265 nan 8.290 nan 0.000 0.515 225 V N 0.319 120.337 119.914 0.173 0.000 2.638 225 V HA 0.760 4.880 4.120 -0.000 0.000 0.306 225 V C -1.344 174.915 176.094 0.275 0.000 1.052 225 V CA -0.595 61.822 62.300 0.196 0.000 0.885 225 V CB 1.556 33.450 31.823 0.119 0.000 0.999 225 V HN 0.940 nan 8.190 nan 0.000 0.424 226 Y N 3.867 124.248 120.300 0.135 0.000 2.479 226 Y HA 0.587 5.137 4.550 -0.000 0.000 0.338 226 Y C -0.423 175.507 175.900 0.049 0.000 1.055 226 Y CA -0.810 57.369 58.100 0.132 0.000 1.023 226 Y CB 1.725 40.372 38.460 0.313 0.000 1.287 226 Y HN 0.633 nan 8.280 nan 0.000 0.447 227 R N 5.115 125.294 120.500 -0.534 0.000 2.294 227 R HA 0.642 4.982 4.340 -0.000 0.000 0.319 227 R C -1.454 174.639 176.300 -0.344 0.000 0.984 227 R CA -0.578 55.331 56.100 -0.317 0.000 0.861 227 R CB 1.005 31.157 30.300 -0.247 0.000 1.104 227 R HN 0.598 nan 8.270 nan 0.000 0.451 228 V N 6.348 126.206 119.914 -0.093 0.000 2.740 228 V HA 0.042 4.162 4.120 -0.000 0.000 0.303 228 V C 0.992 177.066 176.094 -0.034 0.000 1.054 228 V CA -0.271 62.029 62.300 0.001 0.000 1.106 228 V CB 0.748 32.570 31.823 -0.003 0.000 0.957 228 V HN 0.698 nan 8.190 nan 0.000 0.486 229 L N 4.955 126.179 121.223 0.001 0.000 2.472 229 L HA 0.515 4.855 4.340 -0.000 0.000 0.260 229 L C -2.377 174.486 176.870 -0.012 0.000 1.209 229 L CA -1.498 53.334 54.840 -0.013 0.000 0.817 229 L CB -0.016 42.045 42.059 0.002 0.000 1.106 229 L HN 0.354 nan 8.230 nan 0.000 0.479 230 P HA 0.008 nan 4.420 nan 0.000 0.269 230 P C -1.198 176.103 177.300 0.002 0.000 1.215 230 P CA -0.037 63.064 63.100 0.002 0.000 0.780 230 P CB 0.355 32.062 31.700 0.012 0.000 0.898 231 D N 2.400 122.806 120.400 0.010 0.000 2.359 231 D HA -0.003 4.637 4.640 -0.000 0.000 0.250 231 D C 1.339 177.649 176.300 0.016 0.000 1.264 231 D CA -0.068 53.931 54.000 -0.001 0.000 0.911 231 D CB 0.512 41.304 40.800 -0.014 0.000 1.056 231 D HN 0.337 nan 8.370 nan 0.000 0.499 232 R N 3.659 124.159 120.500 -0.001 0.000 2.152 232 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 232 R C 1.353 177.665 176.300 0.020 0.000 1.117 232 R CA 0.578 56.684 56.100 0.010 0.000 0.981 232 R CB -0.097 30.194 30.300 -0.015 0.000 0.870 232 R HN 0.334 nan 8.270 nan 0.000 0.451 233 I N 1.785 122.353 120.570 -0.003 0.000 2.406 233 I HA -0.118 4.052 4.170 -0.000 0.000 0.249 233 I C 2.522 178.673 176.117 0.056 0.000 1.122 233 I CA 1.158 62.460 61.300 0.004 0.000 1.431 233 I CB -1.185 36.792 38.000 -0.038 0.000 1.087 233 I HN 0.354 nan 8.210 nan 0.000 0.424 234 E N 0.873 121.097 120.200 0.041 0.000 2.077 234 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 234 E C 2.011 178.786 176.600 0.293 0.000 0.989 234 E CA 1.886 58.399 56.400 0.188 0.000 0.800 234 E CB 0.184 29.997 29.700 0.188 0.000 0.746 234 E HN 0.382 nan 8.360 nan 0.000 0.452 235 T N -0.217 114.466 114.554 0.215 0.000 2.708 235 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 235 T C 1.738 176.558 174.700 0.200 0.000 1.037 235 T CA 1.283 63.517 62.100 0.224 0.000 1.146 235 T CB -0.638 68.311 68.868 0.135 0.000 0.865 235 T HN 0.404 nan 8.240 nan 0.000 0.435 236 G N 0.953 109.837 108.800 0.140 0.000 2.422 236 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 236 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 236 G C 1.706 176.679 174.900 0.122 0.000 1.146 236 G CA 1.406 46.590 45.100 0.140 0.000 0.769 236 G HN 0.454 nan 8.290 nan 0.000 0.547 237 T N 0.913 115.516 114.554 0.082 0.000 2.708 237 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 237 T C 2.026 176.628 174.700 -0.164 0.000 1.037 237 T CA 1.064 63.128 62.100 -0.060 0.000 1.146 237 T CB -0.344 68.468 68.868 -0.094 0.000 0.865 237 T HN 0.292 nan 8.240 nan 0.000 0.435 238 F N 0.713 120.711 119.950 0.081 0.000 2.325 238 F HA 0.147 4.674 4.527 -0.000 0.000 0.299 238 F C 2.061 177.877 175.800 0.027 0.000 1.090 238 F CA 0.468 58.494 58.000 0.045 0.000 1.392 238 F CB -0.418 38.615 39.000 0.056 0.000 1.053 238 F HN 0.069 nan 8.300 nan 0.000 0.521 239 L N -0.917 120.420 121.223 0.189 0.000 2.056 239 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 239 L C 2.335 179.227 176.870 0.037 0.000 1.078 239 L CA 0.632 55.543 54.840 0.118 0.000 0.749 239 L CB -0.725 41.408 42.059 0.123 0.000 0.901 239 L HN -0.048 nan 8.230 nan 0.000 0.433 240 V N 0.106 120.012 119.914 -0.012 0.000 2.407 240 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 240 V C 2.766 178.808 176.094 -0.087 0.000 1.055 240 V CA 1.680 63.906 62.300 -0.123 0.000 1.049 240 V CB -0.792 30.921 31.823 -0.184 0.000 0.662 240 V HN 0.476 nan 8.190 nan 0.000 0.455 241 A N 0.117 122.910 122.820 -0.045 0.000 1.892 241 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 241 A C 2.427 180.011 177.584 0.000 0.000 1.188 241 A CA 2.411 54.434 52.037 -0.023 0.000 0.631 241 A CB -0.816 18.204 19.000 0.034 0.000 0.822 241 A HN 0.586 nan 8.150 nan 0.000 0.447 242 A N -0.386 122.450 122.820 0.027 0.000 1.898 242 A HA 0.217 4.537 4.320 -0.000 0.000 0.216 242 A C 2.534 180.108 177.584 -0.017 0.000 1.181 242 A CA 2.030 54.075 52.037 0.013 0.000 0.620 242 A CB -1.092 17.924 19.000 0.028 0.000 0.819 242 A HN 1.095 nan 8.150 nan 0.000 0.442 243 A N 0.961 123.761 122.820 -0.032 0.000 1.865 243 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 243 A C 2.127 179.676 177.584 -0.058 0.000 1.191 243 A CA 1.796 53.802 52.037 -0.052 0.000 0.623 243 A CB -0.926 18.020 19.000 -0.090 0.000 0.826 243 A HN 1.040 nan 8.150 nan 0.000 0.444 244 I N -3.564 116.962 120.570 -0.073 0.000 2.830 244 I HA -0.035 4.135 4.170 -0.000 0.000 0.263 244 I C 1.683 177.774 176.117 -0.043 0.000 1.230 244 I CA 1.711 62.971 61.300 -0.066 0.000 1.480 244 I CB -0.211 37.743 38.000 -0.078 0.000 1.095 244 I HN 0.085 nan 8.210 nan 0.000 0.455 245 S N 0.962 116.641 115.700 -0.035 0.000 2.558 245 S HA 0.182 4.652 4.470 -0.000 0.000 0.217 245 S C 0.714 175.302 174.600 -0.021 0.000 0.975 245 S CA -0.175 58.010 58.200 -0.025 0.000 0.912 245 S CB -0.153 63.037 63.200 -0.017 0.000 0.776 245 S HN 0.512 nan 8.310 nan 0.000 0.526 246 R N 0.193 120.679 120.500 -0.023 0.000 3.651 246 R HA -0.147 4.193 4.340 -0.000 0.000 0.292 246 R C 0.518 176.804 176.300 -0.023 0.000 1.161 246 R CA 0.358 56.447 56.100 -0.017 0.000 0.787 246 R CB -2.360 27.935 30.300 -0.009 0.000 1.249 246 R HN 0.461 nan 8.270 nan 0.000 0.476 247 G N 0.260 109.043 108.800 -0.029 0.000 3.119 247 G HA2 0.616 4.576 3.960 -0.000 0.000 0.206 247 G HA3 0.616 4.576 3.960 -0.000 0.000 0.206 247 G C -1.073 173.794 174.900 -0.055 0.000 1.313 247 G CA -0.575 44.503 45.100 -0.037 0.000 1.010 247 G HN 0.037 nan 8.290 nan 0.000 0.578 248 K N -0.926 119.444 120.400 -0.051 0.000 2.469 248 K HA 0.703 5.023 4.320 -0.000 0.000 0.254 248 K C -1.862 174.722 176.600 -0.027 0.000 0.939 248 K CA -0.742 55.511 56.287 -0.057 0.000 0.812 248 K CB 2.489 34.936 32.500 -0.089 0.000 1.301 248 K HN 0.437 nan 8.250 nan 0.000 0.433 249 I N 4.131 124.697 120.570 -0.007 0.000 2.827 249 I HA 0.444 4.614 4.170 -0.000 0.000 0.298 249 I C -1.685 174.445 176.117 0.022 0.000 1.235 249 I CA -1.001 60.303 61.300 0.006 0.000 1.021 249 I CB 1.863 39.886 38.000 0.040 0.000 1.259 249 I HN 0.639 nan 8.210 nan 0.000 0.427 250 I N 6.066 126.637 120.570 0.001 0.000 2.418 250 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 250 I C -0.946 175.190 176.117 0.030 0.000 1.008 250 I CA -0.571 60.743 61.300 0.024 0.000 1.104 250 I CB 1.615 39.574 38.000 -0.069 0.000 1.264 250 I HN 0.457 nan 8.210 nan 0.000 0.438 251 C N 6.325 125.687 119.300 0.103 0.000 2.255 251 C HA 0.496 4.956 4.460 -0.000 0.000 0.326 251 C C 0.563 175.628 174.990 0.125 0.000 1.258 251 C CA -0.799 58.268 59.018 0.082 0.000 1.676 251 C CB -0.001 27.809 27.740 0.116 0.000 2.314 251 C HN 0.638 nan 8.230 nan 0.000 0.509 252 R N 2.419 122.957 120.500 0.064 0.000 2.596 252 R HA 0.293 4.633 4.340 -0.000 0.000 0.267 252 R C 0.250 176.592 176.300 0.071 0.000 1.026 252 R CA -0.438 55.714 56.100 0.086 0.000 1.087 252 R CB 0.270 30.584 30.300 0.023 0.000 1.132 252 R HN 0.762 nan 8.270 nan 0.000 0.531 253 N N -1.234 117.514 118.700 0.080 0.000 2.740 253 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 253 N C -1.110 174.430 175.510 0.049 0.000 1.062 253 N CA 1.159 54.239 53.050 0.051 0.000 0.704 253 N CB -0.967 37.535 38.487 0.024 0.000 0.968 253 N HN 0.736 nan 8.380 nan 0.000 0.547 254 A N -0.193 122.668 122.820 0.068 0.000 2.288 254 A HA 0.723 5.043 4.320 -0.000 0.000 0.328 254 A C 0.157 177.751 177.584 0.017 0.000 1.123 254 A CA -0.456 51.612 52.037 0.051 0.000 0.861 254 A CB 1.215 20.260 19.000 0.075 0.000 1.272 254 A HN 0.218 nan 8.150 nan 0.000 0.490 255 Q N 0.634 120.436 119.800 0.005 0.000 2.616 255 Q HA 0.332 4.672 4.340 -0.000 0.000 0.250 255 Q C -2.286 173.702 176.000 -0.020 0.000 0.991 255 Q CA -1.784 54.009 55.803 -0.015 0.000 0.707 255 Q CB 1.303 30.034 28.738 -0.011 0.000 1.247 255 Q HN 0.424 nan 8.270 nan 0.000 0.491 256 P HA -0.220 nan 4.420 nan 0.000 0.217 256 P C 0.528 177.814 177.300 -0.024 0.000 1.151 256 P CA 1.612 64.681 63.100 -0.052 0.000 0.849 256 P CB 0.206 31.835 31.700 -0.118 0.000 0.787 257 D N -1.567 118.821 120.400 -0.020 0.000 2.378 257 D HA -0.099 4.541 4.640 -0.000 0.000 0.227 257 D C 1.151 177.480 176.300 0.048 0.000 1.012 257 D CA 1.222 55.226 54.000 0.006 0.000 0.905 257 D CB -1.435 39.367 40.800 0.003 0.000 0.895 257 D HN 0.219 nan 8.370 nan 0.000 0.532 258 T N -2.536 112.043 114.554 0.041 0.000 3.107 258 T HA 0.170 4.520 4.350 -0.000 0.000 0.249 258 T C 1.263 176.024 174.700 0.102 0.000 1.096 258 T CA -0.143 61.998 62.100 0.069 0.000 1.012 258 T CB -0.245 68.620 68.868 -0.005 0.000 0.977 258 T HN 0.190 nan 8.240 nan 0.000 0.527 259 L N 0.713 121.971 121.223 0.059 0.000 3.289 259 L HA 0.376 4.716 4.340 -0.000 0.000 0.291 259 L C 0.784 177.666 176.870 0.020 0.000 1.279 259 L CA -0.319 54.541 54.840 0.033 0.000 1.025 259 L CB 0.541 42.616 42.059 0.027 0.000 1.413 259 L HN -0.039 nan 8.230 nan 0.000 0.593 260 D N 1.581 121.991 120.400 0.018 0.000 2.106 260 D HA -0.234 4.406 4.640 -0.000 0.000 0.191 260 D C 2.166 178.469 176.300 0.005 0.000 0.997 260 D CA 1.846 55.847 54.000 0.002 0.000 0.834 260 D CB 0.205 40.995 40.800 -0.017 0.000 0.956 260 D HN 0.402 nan 8.370 nan 0.000 0.448 261 A N 0.387 123.199 122.820 -0.013 0.000 1.898 261 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 261 A C 2.558 180.174 177.584 0.053 0.000 1.181 261 A CA 1.264 53.311 52.037 0.017 0.000 0.620 261 A CB -0.713 18.292 19.000 0.009 0.000 0.819 261 A HN 0.156 nan 8.150 nan 0.000 0.442 262 V N 0.288 120.184 119.914 -0.029 0.000 2.343 262 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 262 V C 2.558 178.748 176.094 0.161 0.000 1.051 262 V CA 1.896 64.202 62.300 0.009 0.000 1.036 262 V CB -0.735 31.049 31.823 -0.065 0.000 0.654 262 V HN 0.565 nan 8.190 nan 0.000 0.451 263 L N 0.030 121.316 121.223 0.104 0.000 2.093 263 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 263 L C 2.741 179.678 176.870 0.112 0.000 1.085 263 L CA 1.497 56.404 54.840 0.111 0.000 0.755 263 L CB -0.875 41.224 42.059 0.065 0.000 0.904 263 L HN 0.370 nan 8.230 nan 0.000 0.435 264 A N -0.153 122.721 122.820 0.089 0.000 1.902 264 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 264 A C 2.331 179.978 177.584 0.105 0.000 1.181 264 A CA 1.374 53.457 52.037 0.077 0.000 0.623 264 A CB -0.250 18.781 19.000 0.052 0.000 0.818 264 A HN 0.183 nan 8.150 nan 0.000 0.443 265 K N -0.210 120.280 120.400 0.151 0.000 2.097 265 K HA 0.034 4.354 4.320 -0.000 0.000 0.205 265 K C 1.850 178.617 176.600 0.279 0.000 1.050 265 K CA 0.907 57.311 56.287 0.194 0.000 0.938 265 K CB -0.564 32.050 32.500 0.190 0.000 0.718 265 K HN 0.557 nan 8.250 nan 0.000 0.442 266 L N 0.374 121.781 121.223 0.307 0.000 2.093 266 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 266 L C 2.546 179.495 176.870 0.132 0.000 1.085 266 L CA 1.061 56.036 54.840 0.225 0.000 0.755 266 L CB -0.277 41.902 42.059 0.199 0.000 0.904 266 L HN 0.126 nan 8.230 nan 0.000 0.435 267 R N -0.044 120.526 120.500 0.115 0.000 2.096 267 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 267 R C 1.766 178.109 176.300 0.072 0.000 1.127 267 R CA 1.396 57.546 56.100 0.083 0.000 0.968 267 R CB -0.379 29.962 30.300 0.070 0.000 0.861 267 R HN 0.356 nan 8.270 nan 0.000 0.440 268 D N 0.667 121.112 120.400 0.076 0.000 2.218 268 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 268 D C 1.420 177.751 176.300 0.052 0.000 0.976 268 D CA 1.156 55.188 54.000 0.054 0.000 0.853 268 D CB -0.039 40.787 40.800 0.043 0.000 0.939 268 D HN 0.245 nan 8.370 nan 0.000 0.481 269 A N -0.443 122.419 122.820 0.071 0.000 2.238 269 A HA 0.414 4.734 4.320 -0.000 0.000 0.208 269 A C 1.752 179.359 177.584 0.037 0.000 1.177 269 A CA 1.058 53.124 52.037 0.048 0.000 0.804 269 A CB -0.051 18.976 19.000 0.045 0.000 0.823 269 A HN 0.253 nan 8.150 nan 0.000 0.482 270 G N -2.302 106.527 108.800 0.048 0.000 2.179 270 G HA2 0.144 4.104 3.960 -0.000 0.000 0.220 270 G HA3 0.144 4.104 3.960 -0.000 0.000 0.220 270 G C 0.372 175.313 174.900 0.068 0.000 0.990 270 G CA 0.088 45.219 45.100 0.052 0.000 0.646 270 G HN 1.501 nan 8.290 nan 0.000 0.517 271 A N 0.206 123.065 122.820 0.066 0.000 2.388 271 A HA 0.549 4.869 4.320 -0.000 0.000 0.257 271 A C 0.140 177.779 177.584 0.092 0.000 1.095 271 A CA 0.583 52.662 52.037 0.070 0.000 0.791 271 A CB 0.559 19.594 19.000 0.059 0.000 1.029 271 A HN 0.505 nan 8.150 nan 0.000 0.489 272 D N 2.143 122.609 120.400 0.109 0.000 2.396 272 D HA 0.455 5.095 4.640 -0.000 0.000 0.225 272 D C -0.601 175.761 176.300 0.103 0.000 1.121 272 D CA 0.078 54.162 54.000 0.140 0.000 0.853 272 D CB 0.036 40.996 40.800 0.267 0.000 1.043 272 D HN 0.350 nan 8.370 nan 0.000 0.500 273 I N 2.984 123.613 120.570 0.097 0.000 2.474 273 I HA 0.353 4.523 4.170 -0.000 0.000 0.294 273 I C 0.288 176.463 176.117 0.097 0.000 1.005 273 I CA -0.773 60.584 61.300 0.096 0.000 1.113 273 I CB 1.771 39.819 38.000 0.080 0.000 1.289 273 I HN 0.262 nan 8.210 nan 0.000 0.436 274 E N 5.011 125.291 120.200 0.133 0.000 2.312 274 E HA 0.677 5.027 4.350 -0.000 0.000 0.267 274 E C -1.386 175.202 176.600 -0.020 0.000 0.894 274 E CA -0.873 55.600 56.400 0.122 0.000 0.773 274 E CB 3.318 33.191 29.700 0.289 0.000 1.241 274 E HN 0.392 nan 8.360 nan 0.000 0.432 275 V N -1.735 117.986 119.914 -0.320 0.000 2.925 275 V HA 0.943 5.062 4.120 -0.000 0.000 0.311 275 V C -0.134 175.222 176.094 -1.230 0.000 1.104 275 V CA -0.512 61.352 62.300 -0.726 0.000 0.954 275 V CB 1.584 33.186 31.823 -0.368 0.000 1.022 275 V HN 0.772 nan 8.190 nan 0.000 0.427 276 G N 0.919 108.571 108.800 -1.913 0.000 3.175 276 G HA2 0.499 4.459 3.960 -0.000 0.000 0.255 276 G HA3 0.499 4.459 3.960 -0.000 0.000 0.255 276 G C 0.198 174.667 174.900 -0.719 0.000 1.352 276 G CA 0.264 44.481 45.100 -1.471 0.000 1.037 276 G HN 0.986 nan 8.290 nan 0.000 0.556 277 E N -0.725 119.269 120.200 -0.344 0.000 2.110 277 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 277 E C 0.440 176.959 176.600 -0.135 0.000 0.988 277 E CA 1.727 58.032 56.400 -0.159 0.000 0.804 277 E CB 0.139 29.818 29.700 -0.035 0.000 0.745 277 E HN 0.452 nan 8.360 nan 0.000 0.458 278 D N -0.882 119.462 120.400 -0.094 0.000 2.760 278 D HA 0.057 4.697 4.640 -0.000 0.000 0.314 278 D C -0.472 175.912 176.300 0.140 0.000 1.464 278 D CA -0.546 53.464 54.000 0.017 0.000 0.797 278 D CB -0.828 40.019 40.800 0.077 0.000 1.149 278 D HN 0.285 nan 8.370 nan 0.000 0.455 279 W N -0.212 121.091 121.300 0.004 0.000 3.137 279 W HA 0.675 5.335 4.660 -0.000 0.000 0.324 279 W C -2.086 174.440 176.519 0.013 0.000 1.253 279 W CA -1.293 56.054 57.345 0.005 0.000 1.183 279 W CB 0.496 29.955 29.460 -0.001 0.000 1.424 279 W HN -0.278 nan 8.180 nan 0.000 0.566 280 I N 2.903 123.701 120.570 0.380 0.000 2.569 280 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 280 I C -0.175 176.170 176.117 0.380 0.000 1.088 280 I CA -0.686 60.766 61.300 0.252 0.000 1.047 280 I CB 2.558 40.627 38.000 0.114 0.000 1.237 280 I HN 0.458 nan 8.210 nan 0.000 0.421 281 S N 6.744 122.682 115.700 0.396 0.000 2.532 281 S HA 0.862 5.332 4.470 -0.000 0.000 0.301 281 S C -0.990 173.705 174.600 0.159 0.000 1.083 281 S CA -0.759 57.598 58.200 0.260 0.000 1.025 281 S CB 2.443 65.799 63.200 0.260 0.000 1.056 281 S HN 0.641 nan 8.310 nan 0.000 0.494 282 L N 1.858 123.136 121.223 0.092 0.000 2.436 282 L HA 0.708 5.048 4.340 -0.000 0.000 0.268 282 L C -2.014 174.850 176.870 -0.010 0.000 0.974 282 L CA -0.288 54.584 54.840 0.054 0.000 0.826 282 L CB 1.953 44.047 42.059 0.058 0.000 1.291 282 L HN 0.836 nan 8.230 nan 0.000 0.406 283 D N 4.806 125.169 120.400 -0.061 0.000 2.788 283 D HA 0.313 4.953 4.640 -0.000 0.000 0.247 283 D C 0.220 176.388 176.300 -0.219 0.000 1.236 283 D CA -0.434 53.435 54.000 -0.218 0.000 0.898 283 D CB 1.822 42.373 40.800 -0.416 0.000 1.401 283 D HN 0.480 nan 8.370 nan 0.000 0.549 284 M N 1.632 121.139 119.600 -0.155 0.000 2.556 284 M HA 0.040 4.520 4.480 -0.000 0.000 0.245 284 M C 0.212 176.529 176.300 0.029 0.000 1.128 284 M CA 0.227 55.505 55.300 -0.037 0.000 1.069 284 M CB -0.735 31.855 32.600 -0.016 0.000 1.469 284 M HN 0.503 nan 8.290 nan 0.000 0.494 285 H N 0.240 119.317 119.070 0.012 0.000 2.791 285 H HA -0.161 4.395 4.556 -0.000 0.000 0.302 285 H C 1.328 176.659 175.328 0.006 0.000 1.198 285 H CA 0.910 56.964 56.048 0.009 0.000 1.145 285 H CB -2.079 27.689 29.762 0.012 0.000 1.385 285 H HN 0.660 nan 8.280 nan 0.000 0.409 286 G N -0.570 108.260 108.800 0.049 0.000 2.168 286 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 286 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 286 G C 0.312 175.233 174.900 0.035 0.000 0.977 286 G CA 0.853 45.974 45.100 0.034 0.000 0.659 286 G HN 0.367 nan 8.290 nan 0.000 0.533 287 K N 0.146 120.574 120.400 0.047 0.000 2.110 287 K HA 0.457 4.777 4.320 -0.000 0.000 0.263 287 K C 0.651 177.261 176.600 0.018 0.000 0.975 287 K CA -1.004 55.304 56.287 0.036 0.000 0.895 287 K CB 1.252 33.782 32.500 0.051 0.000 1.060 287 K HN 0.409 nan 8.250 nan 0.000 0.448 288 R N 3.157 123.663 120.500 0.010 0.000 2.491 288 R HA 0.117 4.457 4.340 -0.000 0.000 0.283 288 R C -1.958 174.342 176.300 0.001 0.000 1.072 288 R CA -0.965 55.135 56.100 -0.001 0.000 1.048 288 R CB 0.300 30.599 30.300 -0.002 0.000 0.983 288 R HN 0.358 nan 8.270 nan 0.000 0.450 289 P HA 0.080 nan 4.420 nan 0.000 0.272 289 P C -1.235 176.062 177.300 -0.005 0.000 1.230 289 P CA -0.139 62.955 63.100 -0.010 0.000 0.788 289 P CB 0.729 32.407 31.700 -0.036 0.000 0.949 290 K N 0.575 120.977 120.400 0.003 0.000 2.130 290 K HA 0.516 4.836 4.320 -0.000 0.000 0.268 290 K C 0.251 176.852 176.600 0.001 0.000 0.983 290 K CA -0.656 55.635 56.287 0.006 0.000 0.893 290 K CB 1.399 33.907 32.500 0.013 0.000 1.066 290 K HN 0.555 nan 8.250 nan 0.000 0.450 291 A N 1.899 124.717 122.820 -0.003 0.000 2.466 291 A HA 0.330 4.650 4.320 -0.000 0.000 0.238 291 A C 0.242 177.810 177.584 -0.026 0.000 1.074 291 A CA -0.293 51.736 52.037 -0.014 0.000 0.774 291 A CB 0.055 19.047 19.000 -0.014 0.000 1.015 291 A HN 0.535 nan 8.150 nan 0.000 0.498 292 V N -0.329 119.559 119.914 -0.044 0.000 3.040 292 V HA 0.652 4.772 4.120 -0.000 0.000 0.312 292 V C -0.726 175.220 176.094 -0.246 0.000 1.115 292 V CA -1.455 60.790 62.300 -0.092 0.000 0.998 292 V CB 2.135 33.954 31.823 -0.008 0.000 1.042 292 V HN 0.761 nan 8.190 nan 0.000 0.433 293 N N 1.023 119.479 118.700 -0.407 0.000 2.430 293 N HA 0.787 5.527 4.740 -0.000 0.000 0.292 293 N C -0.881 174.206 175.510 -0.704 0.000 1.051 293 N CA -0.255 52.258 53.050 -0.894 0.000 0.917 293 N CB 1.887 39.665 38.487 -1.181 0.000 1.164 293 N HN 0.709 nan 8.380 nan 0.000 0.484 294 V N 1.399 120.876 119.914 -0.728 0.000 2.841 294 V HA 0.521 4.641 4.120 -0.000 0.000 0.310 294 V C -0.215 175.718 176.094 -0.269 0.000 1.090 294 V CA -0.905 61.058 62.300 -0.562 0.000 0.930 294 V CB 2.718 34.035 31.823 -0.844 0.000 1.014 294 V HN 0.587 nan 8.190 nan 0.000 0.425 295 R N 1.993 122.378 120.500 -0.192 0.000 2.483 295 R HA 0.571 4.911 4.340 -0.000 0.000 0.303 295 R C -0.178 176.132 176.300 0.017 0.000 0.987 295 R CA -0.259 55.847 56.100 0.010 0.000 0.881 295 R CB 1.761 32.114 30.300 0.088 0.000 1.177 295 R HN 0.960 nan 8.270 nan 0.000 0.451 296 T N 1.106 115.710 114.554 0.084 0.000 2.899 296 T HA 0.747 5.097 4.350 -0.000 0.000 0.295 296 T C 0.068 174.837 174.700 0.116 0.000 1.033 296 T CA -0.175 62.038 62.100 0.189 0.000 1.084 296 T CB 1.636 70.633 68.868 0.216 0.000 0.979 296 T HN 0.708 nan 8.240 nan 0.000 0.532 297 A N 2.552 125.439 122.820 0.112 0.000 2.544 297 A HA 0.720 5.040 4.320 -0.000 0.000 0.291 297 A C -3.180 174.434 177.584 0.050 0.000 1.055 297 A CA -1.643 50.426 52.037 0.054 0.000 0.651 297 A CB 0.209 19.233 19.000 0.040 0.000 1.296 297 A HN 0.658 nan 8.150 nan 0.000 0.431 298 P HA 0.262 nan 4.420 nan 0.000 0.269 298 P C -0.345 176.993 177.300 0.064 0.000 1.215 298 P CA 0.313 63.440 63.100 0.046 0.000 0.780 298 P CB 0.160 31.875 31.700 0.025 0.000 0.898 299 H N 3.830 122.899 119.070 -0.001 0.000 3.038 299 H HA -0.007 4.549 4.556 -0.000 0.000 0.338 299 H C -1.153 174.173 175.328 -0.002 0.000 1.041 299 H CA -0.509 55.536 56.048 -0.006 0.000 1.394 299 H CB 0.241 29.998 29.762 -0.008 0.000 1.357 299 H HN 0.322 nan 8.280 nan 0.000 0.600 300 P HA 0.110 nan 4.420 nan 0.000 0.255 300 P C -0.350 176.734 177.300 -0.361 0.000 1.301 300 P CA 0.213 62.777 63.100 -0.895 0.000 0.817 300 P CB -0.031 31.278 31.700 -0.652 0.000 1.259 301 A N 0.482 123.211 122.820 -0.152 0.000 2.292 301 A HA 0.246 4.566 4.320 -0.000 0.000 0.265 301 A C -0.197 177.400 177.584 0.022 0.000 1.133 301 A CA -0.561 51.457 52.037 -0.031 0.000 0.807 301 A CB -0.541 18.469 19.000 0.017 0.000 1.102 301 A HN 0.181 nan 8.150 nan 0.000 0.502 302 F N 1.763 121.669 119.950 -0.072 0.000 2.602 302 F HA 0.273 4.800 4.527 0.000 0.000 0.385 302 F C -1.638 174.137 175.800 -0.042 0.000 1.063 302 F CA -1.358 56.588 58.000 -0.091 0.000 1.233 302 F CB 0.615 39.524 39.000 -0.151 0.000 1.067 302 F HN 0.271 nan 8.300 nan 0.000 0.564 303 P HA -0.010 nan 4.420 nan 0.000 0.276 303 P C 0.279 177.583 177.300 0.007 0.000 1.230 303 P CA -0.111 62.904 63.100 -0.142 0.000 0.776 303 P CB 1.577 33.165 31.700 -0.186 0.000 0.888 304 T N 1.321 115.960 114.554 0.141 0.000 2.881 304 T HA -0.141 4.209 4.350 -0.000 0.000 0.270 304 T C 1.005 175.805 174.700 0.167 0.000 1.068 304 T CA 1.604 63.835 62.100 0.218 0.000 1.131 304 T CB -0.705 68.331 68.868 0.280 0.000 0.871 304 T HN 0.285 nan 8.240 nan 0.000 0.479 305 D N 0.336 120.792 120.400 0.094 0.000 2.378 305 D HA 0.038 4.678 4.640 -0.000 0.000 0.222 305 D C 1.327 177.656 176.300 0.047 0.000 0.980 305 D CA 0.560 54.593 54.000 0.055 0.000 0.907 305 D CB 0.036 40.852 40.800 0.028 0.000 0.899 305 D HN 0.401 nan 8.370 nan 0.000 0.527 306 M N -0.371 119.251 119.600 0.036 0.000 2.313 306 M HA 0.063 4.543 4.480 -0.000 0.000 0.273 306 M C 1.617 178.141 176.300 0.373 0.000 1.049 306 M CA 0.107 55.476 55.300 0.115 0.000 1.004 306 M CB 0.404 32.903 32.600 -0.170 0.000 1.461 306 M HN -0.001 nan 8.290 nan 0.000 0.514 307 Q N 1.081 121.097 119.800 0.359 0.000 2.050 307 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 307 Q C 1.733 177.892 176.000 0.266 0.000 0.980 307 Q CA 2.103 58.139 55.803 0.388 0.000 0.840 307 Q CB 0.100 29.037 28.738 0.332 0.000 0.898 307 Q HN 0.459 nan 8.270 nan 0.000 0.424 308 A N 0.532 123.374 122.820 0.036 0.000 1.933 308 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 308 A C 1.994 179.531 177.584 -0.079 0.000 1.175 308 A CA 1.683 53.508 52.037 -0.353 0.000 0.628 308 A CB -0.456 18.150 19.000 -0.656 0.000 0.814 308 A HN 0.476 nan 8.150 nan 0.000 0.444 309 Q N -1.305 118.531 119.800 0.061 0.000 2.079 309 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 309 Q C 1.603 177.675 176.000 0.120 0.000 0.974 309 Q CA 1.570 57.420 55.803 0.077 0.000 0.840 309 Q CB -0.401 28.404 28.738 0.112 0.000 0.898 309 Q HN 0.677 nan 8.270 nan 0.000 0.430 310 F N 0.062 120.081 119.950 0.115 0.000 2.407 310 F HA -0.082 4.445 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 1.006 59.070 58.000 0.107 0.000 1.422 310 F CB -0.283 38.813 39.000 0.161 0.000 1.067 310 F HN 0.018 nan 8.300 nan 0.000 0.539 311 T N 0.567 115.269 114.554 0.246 0.000 2.708 311 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 311 T C 2.044 176.804 174.700 0.100 0.000 1.037 311 T CA 1.433 63.647 62.100 0.189 0.000 1.146 311 T CB -0.587 68.484 68.868 0.339 0.000 0.865 311 T HN 0.155 nan 8.240 nan 0.000 0.435 312 L N 1.322 122.590 121.223 0.075 0.000 2.012 312 L HA 0.006 4.346 4.340 -0.000 0.000 0.210 312 L C 2.247 179.097 176.870 -0.034 0.000 1.073 312 L CA 1.578 56.426 54.840 0.014 0.000 0.748 312 L CB -0.961 41.089 42.059 -0.015 0.000 0.891 312 L HN 0.279 nan 8.230 nan 0.000 0.431 313 L N -0.356 120.817 121.223 -0.084 0.000 2.013 313 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 313 L C 2.270 179.094 176.870 -0.077 0.000 1.073 313 L CA 1.929 56.683 54.840 -0.142 0.000 0.753 313 L CB -0.591 41.267 42.059 -0.336 0.000 0.890 313 L HN 0.404 nan 8.230 nan 0.000 0.432 314 N N -0.030 118.650 118.700 -0.033 0.000 2.223 314 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 314 N C 1.772 177.267 175.510 -0.026 0.000 1.016 314 N CA 1.371 54.409 53.050 -0.021 0.000 0.863 314 N CB -0.369 38.113 38.487 -0.008 0.000 0.983 314 N HN 0.394 nan 8.380 nan 0.000 0.429 315 L N 0.418 121.627 121.223 -0.023 0.000 2.551 315 L HA -0.023 4.317 4.340 -0.000 0.000 0.228 315 L C 1.422 178.266 176.870 -0.044 0.000 1.153 315 L CA 0.447 55.270 54.840 -0.028 0.000 0.851 315 L CB -0.003 42.044 42.059 -0.020 0.000 0.959 315 L HN 0.078 nan 8.230 nan 0.000 0.451 316 V N -5.197 114.692 119.914 -0.043 0.000 3.346 316 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 316 V C 0.868 176.941 176.094 -0.035 0.000 1.457 316 V CA -0.179 62.094 62.300 -0.045 0.000 1.069 316 V CB -0.222 31.572 31.823 -0.048 0.000 0.944 316 V HN 0.090 nan 8.190 nan 0.000 0.449 317 A N 0.832 123.634 122.820 -0.030 0.000 2.272 317 A HA 0.683 5.002 4.320 -0.000 0.000 0.275 317 A C 0.073 177.654 177.584 -0.004 0.000 1.096 317 A CA -0.291 51.733 52.037 -0.021 0.000 0.822 317 A CB 0.649 19.635 19.000 -0.024 0.000 1.088 317 A HN 0.463 nan 8.150 nan 0.000 0.495 318 E N -0.200 120.001 120.200 0.002 0.000 2.180 318 E HA 0.475 4.825 4.350 -0.000 0.000 0.283 318 E C 0.530 177.143 176.600 0.022 0.000 1.061 318 E CA 1.368 57.776 56.400 0.013 0.000 0.861 318 E CB -0.111 29.596 29.700 0.012 0.000 1.056 318 E HN 1.642 nan 8.360 nan 0.000 0.407 319 G N 2.932 111.755 108.800 0.039 0.000 2.610 319 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.304 319 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.304 319 G C -0.568 174.373 174.900 0.069 0.000 1.309 319 G CA -0.454 44.679 45.100 0.055 0.000 0.906 319 G HN 0.605 nan 8.290 nan 0.000 0.521 320 T N 0.570 115.172 114.554 0.080 0.000 2.829 320 T HA 0.742 5.092 4.350 -0.000 0.000 0.282 320 T C 0.583 175.285 174.700 0.003 0.000 0.990 320 T CA 0.534 62.670 62.100 0.060 0.000 1.028 320 T CB 1.560 70.528 68.868 0.167 0.000 0.951 320 T HN 1.777 nan 8.240 nan 0.000 0.460 321 G N 1.785 110.555 108.800 -0.051 0.000 2.659 321 G HA2 0.706 4.666 3.960 -0.000 0.000 0.296 321 G HA3 0.706 4.666 3.960 -0.000 0.000 0.296 321 G C -1.474 173.405 174.900 -0.035 0.000 1.369 321 G CA -0.908 44.146 45.100 -0.076 0.000 0.937 321 G HN 0.621 nan 8.290 nan 0.000 0.485 322 F N -0.428 119.480 119.950 -0.069 0.000 2.556 322 F HA 0.882 5.409 4.527 -0.000 0.000 0.327 322 F C -0.794 174.971 175.800 -0.058 0.000 1.059 322 F CA -2.136 55.819 58.000 -0.076 0.000 0.953 322 F CB 1.708 40.673 39.000 -0.058 0.000 1.227 322 F HN 0.330 nan 8.300 nan 0.000 0.478 323 I N 2.057 122.805 120.570 0.296 0.000 2.468 323 I HA 0.246 4.416 4.170 -0.000 0.000 0.285 323 I C -0.991 175.348 176.117 0.370 0.000 1.039 323 I CA -0.534 60.893 61.300 0.212 0.000 1.074 323 I CB 2.252 40.337 38.000 0.141 0.000 1.228 323 I HN 0.672 nan 8.210 nan 0.000 0.436 324 T N 4.277 119.052 114.554 0.367 0.000 2.744 324 T HA 0.216 4.566 4.350 -0.000 0.000 0.291 324 T C -0.163 174.663 174.700 0.211 0.000 0.957 324 T CA -0.287 61.985 62.100 0.287 0.000 1.002 324 T CB 1.075 70.073 68.868 0.217 0.000 0.919 324 T HN 0.407 nan 8.240 nan 0.000 0.468 325 E N 2.394 122.714 120.200 0.199 0.000 2.055 325 E HA 0.287 4.637 4.350 -0.000 0.000 0.274 325 E C 1.007 177.615 176.600 0.012 0.000 0.949 325 E CA -0.550 55.891 56.400 0.067 0.000 0.775 325 E CB 0.531 30.143 29.700 -0.147 0.000 1.097 325 E HN 0.638 nan 8.360 nan 0.000 0.404 326 T N 0.227 114.796 114.554 0.025 0.000 3.040 326 T HA 0.101 4.451 4.350 -0.000 0.000 0.250 326 T C 1.165 175.829 174.700 -0.060 0.000 1.058 326 T CA 0.440 62.534 62.100 -0.010 0.000 0.988 326 T CB 0.143 69.013 68.868 0.003 0.000 0.993 326 T HN 0.183 nan 8.240 nan 0.000 0.519 327 V N -0.428 119.441 119.914 -0.075 0.000 2.685 327 V HA 0.401 4.521 4.120 -0.000 0.000 0.244 327 V C 0.349 176.163 176.094 -0.466 0.000 1.054 327 V CA 0.458 62.609 62.300 -0.247 0.000 1.076 327 V CB -0.344 31.344 31.823 -0.225 0.000 0.725 327 V HN 0.432 nan 8.190 nan 0.000 0.467 328 F N 0.528 120.444 119.950 -0.056 0.000 2.546 328 F HA 0.412 4.939 4.527 -0.000 0.000 0.320 328 F C 1.146 176.874 175.800 -0.121 0.000 1.076 328 F CA -0.744 57.212 58.000 -0.074 0.000 0.928 328 F CB 1.613 40.571 39.000 -0.070 0.000 1.189 328 F HN -0.028 nan 8.300 nan 0.000 0.465 329 E N 0.501 120.766 120.200 0.108 0.000 2.472 329 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 329 E C -0.334 176.246 176.600 -0.032 0.000 1.033 329 E CA 0.501 56.902 56.400 0.001 0.000 0.886 329 E CB 0.119 29.826 29.700 0.011 0.000 0.944 329 E HN 0.741 nan 8.360 nan 0.000 0.492 330 N N 0.678 119.369 118.700 -0.016 0.000 2.610 330 N HA 0.123 4.863 4.740 -0.000 0.000 0.307 330 N C -0.264 175.205 175.510 -0.067 0.000 1.813 330 N CA -0.179 52.848 53.050 -0.039 0.000 0.901 330 N CB 0.444 38.925 38.487 -0.009 0.000 1.354 330 N HN -0.060 nan 8.380 nan 0.000 0.491 331 R N 0.578 120.984 120.500 -0.157 0.000 2.791 331 R HA 0.237 4.577 4.340 -0.000 0.000 0.357 331 R C -0.535 175.783 176.300 0.030 0.000 1.173 331 R CA -0.124 55.921 56.100 -0.091 0.000 1.060 331 R CB -0.033 30.224 30.300 -0.072 0.000 1.406 331 R HN 0.261 nan 8.270 nan 0.000 0.580 332 F N -0.307 119.670 119.950 0.045 0.000 2.764 332 F HA 0.182 4.709 4.527 -0.000 0.000 0.310 332 F C 1.317 176.978 175.800 -0.231 0.000 1.124 332 F CA -0.498 57.413 58.000 -0.148 0.000 1.252 332 F CB 0.686 39.618 39.000 -0.113 0.000 1.010 332 F HN 0.050 nan 8.300 nan 0.000 0.518 333 M N 0.102 119.766 119.600 0.106 0.000 2.358 333 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 333 M C 2.322 178.640 176.300 0.029 0.000 1.064 333 M CA 1.294 56.623 55.300 0.049 0.000 1.093 333 M CB -0.551 32.071 32.600 0.037 0.000 1.401 333 M HN 0.339 nan 8.290 nan 0.000 0.440 334 H N -1.217 117.886 119.070 0.054 0.000 2.502 334 H HA 0.083 4.639 4.556 -0.000 0.000 0.283 334 H C 1.984 177.330 175.328 0.030 0.000 1.015 334 H CA 0.835 56.899 56.048 0.028 0.000 1.298 334 H CB -1.071 28.710 29.762 0.032 0.000 1.411 334 H HN 0.222 nan 8.280 nan 0.000 0.556 335 V N 2.339 122.011 119.914 -0.404 0.000 2.287 335 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 335 V C -0.287 175.749 176.094 -0.097 0.000 1.053 335 V CA 2.090 64.237 62.300 -0.255 0.000 1.027 335 V CB -1.376 30.246 31.823 -0.335 0.000 0.646 335 V HN 0.400 nan 8.190 nan 0.000 0.447 336 P HA -0.099 nan 4.420 nan 0.000 0.218 336 P C 1.561 178.857 177.300 -0.006 0.000 1.149 336 P CA 1.083 64.168 63.100 -0.026 0.000 0.817 336 P CB 0.001 31.691 31.700 -0.016 0.000 0.785 337 E N -0.429 119.772 120.200 0.002 0.000 2.072 337 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 337 E C 2.102 178.714 176.600 0.020 0.000 0.982 337 E CA 0.933 57.343 56.400 0.016 0.000 0.803 337 E CB -0.937 28.779 29.700 0.027 0.000 0.755 337 E HN 0.318 nan 8.360 nan 0.000 0.453 338 L N 0.919 122.157 121.223 0.026 0.000 2.141 338 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 338 L C 2.381 179.260 176.870 0.014 0.000 1.094 338 L CA 0.713 55.568 54.840 0.024 0.000 0.763 338 L CB -0.243 41.840 42.059 0.041 0.000 0.908 338 L HN -0.003 nan 8.230 nan 0.000 0.437 339 S N -0.276 115.432 115.700 0.012 0.000 2.399 339 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 339 S C 1.961 176.578 174.600 0.029 0.000 1.022 339 S CA 1.005 59.221 58.200 0.027 0.000 0.983 339 S CB -0.186 63.027 63.200 0.022 0.000 0.803 339 S HN 0.391 nan 8.310 nan 0.000 0.480 340 R N 0.610 121.122 120.500 0.019 0.000 2.237 340 R HA 0.141 4.481 4.340 -0.000 0.000 0.219 340 R C 1.400 177.709 176.300 0.016 0.000 1.080 340 R CA 0.836 56.947 56.100 0.018 0.000 0.995 340 R CB -0.215 30.095 30.300 0.015 0.000 0.875 340 R HN 0.426 nan 8.270 nan 0.000 0.462 341 M N -0.698 118.909 119.600 0.011 0.000 2.453 341 M HA 0.212 4.692 4.480 -0.000 0.000 0.239 341 M C 0.591 176.886 176.300 -0.008 0.000 1.151 341 M CA 0.287 55.588 55.300 0.002 0.000 0.989 341 M CB 1.333 33.933 32.600 -0.001 0.000 1.548 341 M HN 0.379 nan 8.290 nan 0.000 0.479 342 G N 0.703 109.505 108.800 0.004 0.000 2.157 342 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.239 342 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.239 342 G C 0.177 175.028 174.900 -0.081 0.000 0.982 342 G CA -0.033 45.061 45.100 -0.010 0.000 0.650 342 G HN 0.662 nan 8.290 nan 0.000 0.527 343 A N 0.027 122.823 122.820 -0.041 0.000 2.386 343 A HA 0.650 4.970 4.320 -0.000 0.000 0.248 343 A C 0.062 177.699 177.584 0.088 0.000 1.082 343 A CA 0.105 52.105 52.037 -0.062 0.000 0.789 343 A CB 0.231 19.222 19.000 -0.016 0.000 1.025 343 A HN 0.641 nan 8.150 nan 0.000 0.490 344 H N 0.345 119.439 119.070 0.040 0.000 2.685 344 H HA 0.564 5.120 4.556 -0.000 0.000 0.307 344 H C -0.025 175.359 175.328 0.094 0.000 1.017 344 H CA -0.016 56.079 56.048 0.079 0.000 1.237 344 H CB 1.296 31.129 29.762 0.119 0.000 1.409 344 H HN 0.887 nan 8.280 nan 0.000 0.488 345 A N 3.246 126.163 122.820 0.161 0.000 2.572 345 A HA 0.602 4.922 4.320 -0.000 0.000 0.295 345 A C -1.121 176.470 177.584 0.012 0.000 1.072 345 A CA -0.914 51.143 52.037 0.034 0.000 0.691 345 A CB 1.848 20.813 19.000 -0.059 0.000 1.291 345 A HN 0.645 nan 8.150 nan 0.000 0.404 346 E N 0.486 120.667 120.200 -0.032 0.000 2.272 346 E HA 0.594 4.944 4.350 -0.000 0.000 0.269 346 E C -1.257 175.277 176.600 -0.110 0.000 0.877 346 E CA -0.209 56.170 56.400 -0.035 0.000 0.755 346 E CB 2.209 31.924 29.700 0.026 0.000 1.192 346 E HN 0.539 nan 8.360 nan 0.000 0.422 347 I N 2.314 122.817 120.570 -0.112 0.000 2.331 347 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 347 I C -0.241 175.851 176.117 -0.041 0.000 0.998 347 I CA -0.285 60.931 61.300 -0.140 0.000 1.267 347 I CB 1.069 39.002 38.000 -0.111 0.000 1.386 347 I HN 0.390 nan 8.210 nan 0.000 0.476 348 E N 5.278 125.465 120.200 -0.023 0.000 2.331 348 E HA 0.335 4.685 4.350 -0.000 0.000 0.243 348 E C -0.009 176.618 176.600 0.044 0.000 0.925 348 E CA -0.172 56.230 56.400 0.003 0.000 0.760 348 E CB 1.558 31.244 29.700 -0.024 0.000 1.254 348 E HN 0.732 nan 8.360 nan 0.000 0.419 349 S N 3.579 119.318 115.700 0.064 0.000 4.114 349 S HA -0.304 4.166 4.470 -0.000 0.000 0.618 349 S C 0.960 175.661 174.600 0.169 0.000 1.937 349 S CA 2.042 60.292 58.200 0.082 0.000 4.228 349 S CB -0.977 62.248 63.200 0.041 0.000 0.216 349 S HN 0.856 nan 8.310 nan 0.000 0.528 350 N N 1.696 120.483 118.700 0.144 0.000 2.370 350 N HA 0.222 4.962 4.740 -0.000 0.000 0.198 350 N C -0.164 175.570 175.510 0.373 0.000 1.156 350 N CA 0.813 53.979 53.050 0.194 0.000 0.839 350 N CB -0.192 38.335 38.487 0.067 0.000 0.989 350 N HN 0.458 nan 8.380 nan 0.000 0.468 351 T N 0.042 114.791 114.554 0.324 0.000 2.861 351 T HA 0.368 4.718 4.350 -0.000 0.000 0.287 351 T C -0.979 173.709 174.700 -0.020 0.000 1.003 351 T CA -0.688 61.549 62.100 0.228 0.000 0.977 351 T CB 2.571 71.452 68.868 0.022 0.000 0.996 351 T HN -0.042 nan 8.240 nan 0.000 0.448 352 V N 5.125 124.917 119.914 -0.204 0.000 2.398 352 V HA 0.523 4.643 4.120 -0.000 0.000 0.286 352 V C -0.823 175.177 176.094 -0.156 0.000 1.026 352 V CA -0.943 61.098 62.300 -0.431 0.000 0.868 352 V CB 0.577 31.917 31.823 -0.805 0.000 0.982 352 V HN 0.717 nan 8.190 nan 0.000 0.443 353 I N 6.861 127.340 120.570 -0.152 0.000 2.315 353 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 353 I C 0.096 176.026 176.117 -0.311 0.000 1.006 353 I CA 0.012 61.221 61.300 -0.152 0.000 1.265 353 I CB 0.755 38.691 38.000 -0.107 0.000 1.387 353 I HN 0.580 nan 8.210 nan 0.000 0.475 354 C N 6.232 125.333 119.300 -0.333 0.000 2.382 354 C HA 0.502 4.962 4.460 -0.000 0.000 0.327 354 C C 0.093 174.807 174.990 -0.460 0.000 1.250 354 C CA -0.606 58.225 59.018 -0.311 0.000 1.707 354 C CB 0.844 28.508 27.740 -0.127 0.000 2.272 354 C HN 0.625 nan 8.230 nan 0.000 0.506 355 H N 1.222 120.324 119.070 0.054 0.000 2.887 355 H HA 0.329 4.885 4.556 -0.000 0.000 0.300 355 H C 0.432 175.785 175.328 0.042 0.000 1.038 355 H CA -0.046 56.042 56.048 0.067 0.000 1.352 355 H CB 1.236 31.064 29.762 0.110 0.000 1.473 355 H HN 0.935 nan 8.280 nan 0.000 0.503 356 G N 1.963 110.814 108.800 0.084 0.000 2.432 356 G HA2 0.327 4.287 3.960 -0.000 0.000 0.239 356 G HA3 0.327 4.287 3.960 -0.000 0.000 0.239 356 G C 0.411 175.309 174.900 -0.004 0.000 1.291 356 G CA -0.218 44.893 45.100 0.018 0.000 0.863 356 G HN 0.441 nan 8.290 nan 0.000 0.560 357 V N 0.241 120.111 119.914 -0.072 0.000 2.919 357 V HA 0.608 4.728 4.120 -0.000 0.000 0.316 357 V C 1.112 177.168 176.094 -0.063 0.000 1.077 357 V CA -0.660 61.580 62.300 -0.101 0.000 0.977 357 V CB 1.984 33.664 31.823 -0.238 0.000 1.039 357 V HN 0.688 nan 8.190 nan 0.000 0.441 358 E N 2.004 122.177 120.200 -0.045 0.000 2.051 358 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 358 E C 0.604 177.182 176.600 -0.036 0.000 0.991 358 E CA 2.036 58.418 56.400 -0.030 0.000 0.799 358 E CB 0.055 29.744 29.700 -0.018 0.000 0.748 358 E HN 0.867 nan 8.360 nan 0.000 0.449 359 K N -0.939 119.434 120.400 -0.045 0.000 2.523 359 K HA 0.366 4.686 4.320 -0.000 0.000 0.257 359 K C -0.935 175.635 176.600 -0.050 0.000 0.932 359 K CA -0.714 55.549 56.287 -0.041 0.000 0.812 359 K CB 1.228 33.712 32.500 -0.027 0.000 1.326 359 K HN -0.039 nan 8.250 nan 0.000 0.433 360 L N 1.144 122.340 121.223 -0.044 0.000 2.454 360 L HA 0.414 4.754 4.340 -0.000 0.000 0.256 360 L C -0.041 176.814 176.870 -0.026 0.000 1.136 360 L CA -0.913 53.903 54.840 -0.041 0.000 0.804 360 L CB 1.711 43.749 42.059 -0.035 0.000 1.181 360 L HN 0.710 nan 8.230 nan 0.000 0.469 361 S N -0.491 115.198 115.700 -0.018 0.000 2.482 361 S HA 0.502 4.972 4.470 -0.000 0.000 0.303 361 S C 0.118 174.716 174.600 -0.004 0.000 1.091 361 S CA -0.686 57.509 58.200 -0.009 0.000 1.057 361 S CB 1.771 64.969 63.200 -0.003 0.000 1.031 361 S HN 0.772 nan 8.310 nan 0.000 0.485 362 G N 1.221 110.020 108.800 -0.001 0.000 2.484 362 G HA2 0.505 4.465 3.960 -0.000 0.000 0.235 362 G HA3 0.505 4.465 3.960 -0.000 0.000 0.235 362 G C -0.259 174.646 174.900 0.007 0.000 1.282 362 G CA 0.143 45.245 45.100 0.003 0.000 0.857 362 G HN 0.998 nan 8.290 nan 0.000 0.571 363 A N 1.579 124.405 122.820 0.011 0.000 2.586 363 A HA 0.660 4.980 4.320 -0.000 0.000 0.290 363 A C -0.572 177.022 177.584 0.017 0.000 1.086 363 A CA -0.741 51.304 52.037 0.013 0.000 0.665 363 A CB 0.986 19.993 19.000 0.013 0.000 1.279 363 A HN 0.632 nan 8.150 nan 0.000 0.423 364 Q N 0.634 120.444 119.800 0.018 0.000 2.314 364 Q HA 0.486 4.826 4.340 -0.000 0.000 0.257 364 Q C -0.256 175.756 176.000 0.019 0.000 0.975 364 Q CA -0.421 55.395 55.803 0.021 0.000 0.933 364 Q CB 1.246 29.996 28.738 0.021 0.000 1.195 364 Q HN 0.817 nan 8.270 nan 0.000 0.426 365 V N 0.165 120.091 119.914 0.020 0.000 3.046 365 V HA 0.735 4.855 4.120 -0.000 0.000 0.316 365 V C -0.762 175.339 176.094 0.012 0.000 1.104 365 V CA -1.338 60.971 62.300 0.016 0.000 1.006 365 V CB 2.016 33.849 31.823 0.016 0.000 1.058 365 V HN 0.722 nan 8.190 nan 0.000 0.440 366 M N 3.277 122.881 119.600 0.006 0.000 2.181 366 M HA 0.838 5.318 4.480 -0.000 0.000 0.323 366 M C -0.105 176.179 176.300 -0.028 0.000 1.004 366 M CA -0.526 54.772 55.300 -0.002 0.000 0.941 366 M CB 0.862 33.466 32.600 0.007 0.000 1.579 366 M HN 1.259 nan 8.290 nan 0.000 0.427 367 A N 3.219 126.008 122.820 -0.051 0.000 2.450 367 A HA 0.491 4.811 4.320 -0.000 0.000 0.255 367 A C 0.848 178.310 177.584 -0.205 0.000 1.096 367 A CA 0.258 52.225 52.037 -0.117 0.000 0.778 367 A CB -0.357 18.572 19.000 -0.120 0.000 1.031 367 A HN 1.004 nan 8.150 nan 0.000 0.494 368 T N -1.329 113.046 114.554 -0.298 0.000 2.971 368 T HA 0.372 4.722 4.350 -0.000 0.000 0.252 368 T C 0.019 174.335 174.700 -0.641 0.000 1.022 368 T CA 0.639 62.531 62.100 -0.347 0.000 0.980 368 T CB -0.445 68.338 68.868 -0.142 0.000 1.044 368 T HN 0.870 nan 8.240 nan 0.000 0.501 369 D N -0.944 119.023 120.400 -0.722 0.000 2.725 369 D HA 0.341 4.981 4.640 -0.000 0.000 0.292 369 D C 0.583 176.681 176.300 -0.337 0.000 1.288 369 D CA -0.919 52.728 54.000 -0.588 0.000 0.784 369 D CB 0.548 41.178 40.800 -0.285 0.000 1.308 369 D HN -0.105 nan 8.370 nan 0.000 0.429 370 L N 0.456 121.600 121.223 -0.131 0.000 1.955 370 L HA -0.041 4.299 4.340 -0.000 0.000 0.213 370 L C 1.980 178.871 176.870 0.035 0.000 1.072 370 L CA 1.827 56.671 54.840 0.006 0.000 0.755 370 L CB -0.708 41.374 42.059 0.038 0.000 0.888 370 L HN 0.483 nan 8.230 nan 0.000 0.432 371 R N 0.059 120.560 120.500 0.003 0.000 2.148 371 R HA 0.052 4.392 4.340 -0.000 0.000 0.227 371 R C 2.154 178.406 176.300 -0.081 0.000 1.103 371 R CA 1.133 57.242 56.100 0.015 0.000 0.983 371 R CB -1.472 28.826 30.300 -0.004 0.000 0.874 371 R HN 0.567 nan 8.270 nan 0.000 0.451 372 A N 1.410 124.156 122.820 -0.123 0.000 1.898 372 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 372 A C 2.376 179.899 177.584 -0.100 0.000 1.181 372 A CA 1.893 53.853 52.037 -0.128 0.000 0.620 372 A CB -0.585 18.376 19.000 -0.066 0.000 0.819 372 A HN 0.444 nan 8.150 nan 0.000 0.442 373 S N 0.413 116.045 115.700 -0.113 0.000 2.370 373 S HA -0.049 4.421 4.470 -0.000 0.000 0.226 373 S C 2.097 176.629 174.600 -0.114 0.000 1.033 373 S CA 1.551 59.688 58.200 -0.106 0.000 1.011 373 S CB -0.728 62.411 63.200 -0.101 0.000 0.852 373 S HN 0.935 nan 8.310 nan 0.000 0.457 374 A N 1.561 124.284 122.820 -0.162 0.000 1.930 374 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 374 A C 2.473 179.936 177.584 -0.202 0.000 1.175 374 A CA 1.774 53.631 52.037 -0.300 0.000 0.627 374 A CB -1.176 17.514 19.000 -0.515 0.000 0.815 374 A HN 0.584 nan 8.150 nan 0.000 0.443 375 S N -0.023 115.593 115.700 -0.141 0.000 2.382 375 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 375 S C 1.787 176.349 174.600 -0.063 0.000 1.027 375 S CA 1.387 59.525 58.200 -0.103 0.000 0.991 375 S CB -0.413 62.723 63.200 -0.106 0.000 0.823 375 S HN 0.516 nan 8.310 nan 0.000 0.469 376 L N 0.916 122.112 121.223 -0.046 0.000 2.093 376 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 376 L C 2.303 179.169 176.870 -0.008 0.000 1.085 376 L CA 0.688 55.519 54.840 -0.014 0.000 0.755 376 L CB -0.645 41.411 42.059 -0.005 0.000 0.904 376 L HN 0.194 nan 8.230 nan 0.000 0.435 377 V N 0.238 120.146 119.914 -0.010 0.000 2.295 377 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 377 V C 2.420 178.496 176.094 -0.030 0.000 1.049 377 V CA 1.583 63.898 62.300 0.025 0.000 1.024 377 V CB -0.332 31.537 31.823 0.077 0.000 0.648 377 V HN 0.343 nan 8.190 nan 0.000 0.447 378 L N -0.003 121.176 121.223 -0.074 0.000 2.046 378 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 378 L C 2.755 179.595 176.870 -0.051 0.000 1.077 378 L CA 1.575 56.367 54.840 -0.079 0.000 0.747 378 L CB -0.870 41.122 42.059 -0.111 0.000 0.896 378 L HN 0.382 nan 8.230 nan 0.000 0.432 379 A N 0.489 123.285 122.820 -0.040 0.000 1.908 379 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 379 A C 2.412 179.984 177.584 -0.020 0.000 1.181 379 A CA 1.801 53.822 52.037 -0.027 0.000 0.627 379 A CB -1.255 17.737 19.000 -0.013 0.000 0.818 379 A HN 0.448 nan 8.150 nan 0.000 0.445 380 G N -0.931 107.862 108.800 -0.012 0.000 2.442 380 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 380 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 380 G C 1.553 176.443 174.900 -0.018 0.000 1.141 380 G CA 1.315 46.411 45.100 -0.007 0.000 0.763 380 G HN 0.536 nan 8.290 nan 0.000 0.554 381 C N 0.787 120.071 119.300 -0.027 0.000 2.425 381 C HA 0.007 4.467 4.460 -0.000 0.000 0.277 381 C C 2.680 177.654 174.990 -0.027 0.000 1.280 381 C CA 0.901 59.900 59.018 -0.031 0.000 1.744 381 C CB -0.963 26.756 27.740 -0.035 0.000 1.989 381 C HN 0.663 nan 8.230 nan 0.000 0.491 382 I N -0.871 119.683 120.570 -0.027 0.000 3.860 382 I HA 0.358 4.528 4.170 -0.000 0.000 0.319 382 I C 1.102 177.205 176.117 -0.023 0.000 1.279 382 I CA -0.061 61.223 61.300 -0.026 0.000 1.220 382 I CB -0.426 37.556 38.000 -0.030 0.000 1.027 382 I HN 0.072 nan 8.210 nan 0.000 0.428 383 A N 1.776 124.584 122.820 -0.021 0.000 2.366 383 A HA 0.291 4.611 4.320 -0.000 0.000 0.249 383 A C -0.031 177.545 177.584 -0.015 0.000 1.084 383 A CA -0.170 51.856 52.037 -0.018 0.000 0.794 383 A CB 0.275 19.267 19.000 -0.014 0.000 1.034 383 A HN 0.423 nan 8.150 nan 0.000 0.491 384 E N 0.127 120.319 120.200 -0.013 0.000 2.152 384 E HA 0.483 4.833 4.350 -0.000 0.000 0.285 384 E C 0.667 177.263 176.600 -0.007 0.000 1.043 384 E CA 1.282 57.676 56.400 -0.010 0.000 0.839 384 E CB -0.056 29.638 29.700 -0.009 0.000 1.069 384 E HN 1.613 nan 8.360 nan 0.000 0.399 385 G N 3.189 111.985 108.800 -0.006 0.000 2.451 385 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.208 385 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.208 385 G C -0.600 174.299 174.900 -0.002 0.000 1.248 385 G CA -0.376 44.722 45.100 -0.003 0.000 0.989 385 G HN 0.619 nan 8.290 nan 0.000 0.559 386 T N 1.369 115.924 114.554 0.002 0.000 2.767 386 T HA 0.664 5.014 4.350 -0.000 0.000 0.284 386 T C -0.096 174.611 174.700 0.011 0.000 0.973 386 T CA 0.340 62.443 62.100 0.006 0.000 0.996 386 T CB 1.493 70.366 68.868 0.009 0.000 0.927 386 T HN 0.734 nan 8.240 nan 0.000 0.456 387 T N 2.749 117.312 114.554 0.014 0.000 2.841 387 T HA 0.562 4.912 4.350 -0.000 0.000 0.283 387 T C -0.550 174.173 174.700 0.038 0.000 1.000 387 T CA -0.538 61.575 62.100 0.022 0.000 0.977 387 T CB 1.322 70.201 68.868 0.019 0.000 0.979 387 T HN 0.331 nan 8.240 nan 0.000 0.446 388 V N 3.756 123.695 119.914 0.041 0.000 2.407 388 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 388 V C -0.291 175.835 176.094 0.054 0.000 1.018 388 V CA -0.793 61.541 62.300 0.057 0.000 0.842 388 V CB 1.750 33.601 31.823 0.046 0.000 0.996 388 V HN 0.720 nan 8.190 nan 0.000 0.426 389 V N 3.974 123.932 119.914 0.074 0.000 2.364 389 V HA 0.348 4.468 4.120 -0.000 0.000 0.272 389 V C 0.025 176.127 176.094 0.012 0.000 1.036 389 V CA -0.343 61.982 62.300 0.041 0.000 0.880 389 V CB 1.458 33.313 31.823 0.052 0.000 0.991 389 V HN 0.865 nan 8.190 nan 0.000 0.460 390 D N 3.604 124.008 120.400 0.006 0.000 2.348 390 D HA 0.363 5.003 4.640 -0.000 0.000 0.249 390 D C 0.737 177.028 176.300 -0.015 0.000 1.110 390 D CA -0.374 53.631 54.000 0.007 0.000 0.967 390 D CB 0.643 41.458 40.800 0.026 0.000 1.139 390 D HN 0.485 nan 8.370 nan 0.000 0.466 391 R N 1.030 121.538 120.500 0.014 0.000 3.422 391 R HA -0.173 4.167 4.340 -0.000 0.000 0.267 391 R C 1.225 177.401 176.300 -0.205 0.000 1.074 391 R CA 0.667 56.762 56.100 -0.007 0.000 0.718 391 R CB -2.120 28.187 30.300 0.012 0.000 1.157 391 R HN 0.566 nan 8.270 nan 0.000 0.440 392 I N -2.393 118.069 120.570 -0.180 0.000 3.334 392 I HA -0.200 3.970 4.170 -0.000 0.000 0.282 392 I C 2.058 178.016 176.117 -0.265 0.000 1.313 392 I CA 0.765 61.875 61.300 -0.317 0.000 1.396 392 I CB -0.485 37.136 38.000 -0.633 0.000 1.054 392 I HN 0.330 nan 8.210 nan 0.000 0.495 393 Y N 0.421 120.615 120.300 -0.176 0.000 2.315 393 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 393 Y C 2.399 178.208 175.900 -0.151 0.000 1.154 393 Y CA 1.333 59.328 58.100 -0.175 0.000 1.229 393 Y CB -1.598 36.743 38.460 -0.198 0.000 0.980 393 Y HN 0.190 nan 8.280 nan 0.000 0.540 394 H N 0.506 119.248 119.070 -0.547 0.000 2.387 394 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 394 H C 2.340 177.606 175.328 -0.103 0.000 1.099 394 H CA 2.022 57.873 56.048 -0.329 0.000 1.315 394 H CB -0.288 29.233 29.762 -0.402 0.000 1.380 394 H HN 0.509 nan 8.280 nan 0.000 0.513 395 I N 1.151 121.727 120.570 0.010 0.000 2.361 395 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 395 I C 1.312 177.528 176.117 0.165 0.000 1.133 395 I CA 1.066 62.419 61.300 0.089 0.000 1.413 395 I CB 0.009 37.987 38.000 -0.038 0.000 1.073 395 I HN 0.078 nan 8.210 nan 0.000 0.424 396 D N 0.547 121.000 120.400 0.088 0.000 2.350 396 D HA -0.130 4.510 4.640 -0.000 0.000 0.216 396 D C 2.093 178.452 176.300 0.099 0.000 0.968 396 D CA 0.693 54.756 54.000 0.104 0.000 0.894 396 D CB -0.134 40.709 40.800 0.073 0.000 0.909 396 D HN 0.417 nan 8.370 nan 0.000 0.520 397 R N -0.213 120.344 120.500 0.095 0.000 2.148 397 R HA 0.050 4.390 4.340 -0.000 0.000 0.223 397 R C 1.852 178.173 176.300 0.035 0.000 1.088 397 R CA 1.114 57.255 56.100 0.067 0.000 0.985 397 R CB 0.153 30.495 30.300 0.069 0.000 0.880 397 R HN 0.114 nan 8.270 nan 0.000 0.451 398 G N -1.478 107.340 108.800 0.030 0.000 3.443 398 G HA2 0.099 4.059 3.960 -0.000 0.000 0.252 398 G HA3 0.099 4.059 3.960 -0.000 0.000 0.252 398 G C -0.519 174.167 174.900 -0.357 0.000 1.015 398 G CA -0.212 44.794 45.100 -0.158 0.000 0.891 398 G HN 0.054 nan 8.290 nan 0.000 0.510 399 Y N 0.757 121.091 120.300 0.057 0.000 2.338 399 Y HA 0.445 4.995 4.550 -0.000 0.000 0.333 399 Y C -0.116 175.844 175.900 0.100 0.000 0.968 399 Y CA -1.257 56.894 58.100 0.085 0.000 1.123 399 Y CB 1.775 40.285 38.460 0.084 0.000 1.165 399 Y HN 0.028 nan 8.280 nan 0.000 0.452 400 E N 4.225 124.554 120.200 0.215 0.000 2.194 400 E HA 0.282 4.632 4.350 -0.000 0.000 0.284 400 E C -0.230 176.485 176.600 0.191 0.000 1.035 400 E CA -0.401 56.096 56.400 0.161 0.000 0.836 400 E CB 0.341 30.102 29.700 0.102 0.000 1.070 400 E HN 0.723 nan 8.360 nan 0.000 0.401 401 R N 3.409 124.011 120.500 0.170 0.000 3.416 401 R HA -0.224 4.116 4.340 -0.000 0.000 0.263 401 R C 1.105 177.522 176.300 0.196 0.000 1.053 401 R CA 0.553 56.746 56.100 0.155 0.000 0.705 401 R CB -1.948 28.412 30.300 0.101 0.000 1.124 401 R HN 0.764 nan 8.270 nan 0.000 0.444 402 I N 0.323 121.049 120.570 0.259 0.000 2.454 402 I HA -0.254 3.916 4.170 -0.000 0.000 0.254 402 I C 2.395 178.614 176.117 0.170 0.000 1.156 402 I CA 1.726 63.193 61.300 0.279 0.000 1.433 402 I CB -0.037 38.077 38.000 0.189 0.000 1.082 402 I HN 0.443 nan 8.210 nan 0.000 0.432 403 E N 0.746 121.020 120.200 0.123 0.000 2.031 403 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 403 E C 1.650 178.231 176.600 -0.031 0.000 0.994 403 E CA 1.772 58.132 56.400 -0.067 0.000 0.800 403 E CB -0.005 29.654 29.700 -0.069 0.000 0.752 403 E HN 0.504 nan 8.360 nan 0.000 0.447 404 D N 0.442 120.857 120.400 0.024 0.000 2.117 404 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 404 D C 1.900 178.203 176.300 0.006 0.000 0.987 404 D CA 1.080 55.086 54.000 0.010 0.000 0.829 404 D CB -0.094 40.720 40.800 0.022 0.000 0.961 404 D HN 0.198 nan 8.370 nan 0.000 0.460 405 K N 0.321 120.746 120.400 0.041 0.000 2.057 405 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 405 K C 2.384 179.004 176.600 0.034 0.000 1.050 405 K CA 0.506 56.787 56.287 -0.010 0.000 0.935 405 K CB -0.074 32.407 32.500 -0.032 0.000 0.715 405 K HN 0.122 nan 8.250 nan 0.000 0.439 406 L N 0.492 121.792 121.223 0.128 0.000 2.093 406 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 406 L C 2.702 179.579 176.870 0.012 0.000 1.085 406 L CA 0.961 55.867 54.840 0.110 0.000 0.755 406 L CB -0.307 41.786 42.059 0.057 0.000 0.904 406 L HN 0.165 nan 8.230 nan 0.000 0.435 407 R N 0.535 121.021 120.500 -0.024 0.000 2.091 407 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 407 R C 2.208 178.489 176.300 -0.032 0.000 1.136 407 R CA 1.503 57.578 56.100 -0.041 0.000 0.959 407 R CB -0.242 30.028 30.300 -0.051 0.000 0.856 407 R HN 0.334 nan 8.270 nan 0.000 0.437 408 A N 0.376 123.176 122.820 -0.032 0.000 2.121 408 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 408 A C 1.844 179.404 177.584 -0.040 0.000 1.154 408 A CA 0.869 52.881 52.037 -0.042 0.000 0.679 408 A CB -0.173 18.792 19.000 -0.057 0.000 0.795 408 A HN 0.368 nan 8.150 nan 0.000 0.458 409 L N -1.945 119.262 121.223 -0.026 0.000 2.607 409 L HA 0.285 4.625 4.340 -0.000 0.000 0.228 409 L C 1.538 178.401 176.870 -0.012 0.000 1.123 409 L CA 0.581 55.412 54.840 -0.015 0.000 0.890 409 L CB 0.238 42.309 42.059 0.019 0.000 1.103 409 L HN 0.527 nan 8.230 nan 0.000 0.468 410 G N -0.273 108.516 108.800 -0.018 0.000 2.192 410 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.193 410 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.193 410 G C 0.340 175.225 174.900 -0.025 0.000 0.999 410 G CA -0.194 44.893 45.100 -0.021 0.000 0.659 410 G HN 0.381 nan 8.290 nan 0.000 0.503 411 A N 0.097 122.900 122.820 -0.028 0.000 2.407 411 A HA 0.596 4.916 4.320 -0.000 0.000 0.248 411 A C 0.425 177.975 177.584 -0.058 0.000 1.082 411 A CA 0.253 52.264 52.037 -0.043 0.000 0.785 411 A CB 0.421 19.390 19.000 -0.052 0.000 1.020 411 A HN 0.561 nan 8.150 nan 0.000 0.489 412 N N 1.699 120.363 118.700 -0.060 0.000 2.609 412 N HA 0.412 5.152 4.740 -0.000 0.000 0.234 412 N C -1.324 174.133 175.510 -0.088 0.000 1.001 412 N CA -0.129 52.884 53.050 -0.062 0.000 0.926 412 N CB 0.474 38.936 38.487 -0.042 0.000 1.130 412 N HN 0.669 nan 8.380 nan 0.000 0.510 413 I N 0.779 121.272 120.570 -0.128 0.000 2.686 413 I HA 0.461 4.631 4.170 -0.000 0.000 0.295 413 I C -1.336 174.666 176.117 -0.192 0.000 1.114 413 I CA -0.652 60.525 61.300 -0.205 0.000 1.038 413 I CB 2.192 39.974 38.000 -0.363 0.000 1.238 413 I HN 0.348 nan 8.210 nan 0.000 0.420 414 E N 6.724 126.830 120.200 -0.156 0.000 2.275 414 E HA 0.321 4.671 4.350 -0.000 0.000 0.270 414 E C -1.371 175.255 176.600 0.044 0.000 0.882 414 E CA -0.928 55.435 56.400 -0.062 0.000 0.758 414 E CB 1.921 31.614 29.700 -0.011 0.000 1.195 414 E HN 0.613 nan 8.360 nan 0.000 0.419 415 R N 3.909 124.484 120.500 0.125 0.000 2.216 415 R HA 0.252 4.592 4.340 -0.000 0.000 0.332 415 R C -0.599 175.808 176.300 0.178 0.000 1.056 415 R CA -0.364 55.936 56.100 0.335 0.000 0.901 415 R CB 0.543 31.074 30.300 0.385 0.000 1.039 415 R HN 0.305 nan 8.270 nan 0.000 0.456 416 V N 2.026 122.037 119.914 0.162 0.000 2.370 416 V HA 0.433 4.553 4.120 -0.000 0.000 0.279 416 V C -0.466 175.674 176.094 0.076 0.000 1.029 416 V CA -0.883 61.474 62.300 0.095 0.000 0.870 416 V CB 1.198 33.068 31.823 0.078 0.000 0.984 416 V HN 0.671 nan 8.190 nan 0.000 0.451 417 K N 4.401 124.836 120.400 0.059 0.000 2.276 417 K HA 0.619 4.939 4.320 -0.000 0.000 0.285 417 K C 0.691 177.311 176.600 0.033 0.000 1.062 417 K CA 0.161 56.474 56.287 0.043 0.000 0.918 417 K CB 1.306 33.829 32.500 0.038 0.000 1.055 417 K HN 1.537 nan 8.250 nan 0.000 0.477 418 G N 3.856 112.673 108.800 0.028 0.000 2.587 418 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.274 418 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.274 418 G C -0.282 174.633 174.900 0.025 0.000 1.046 418 G CA -0.268 44.845 45.100 0.022 0.000 1.308 418 G HN 0.685 nan 8.290 nan 0.000 0.529 419 E N 0.000 120.217 120.200 0.029 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.418 56.400 0.029 0.000 0.976 419 E CB 0.000 29.714 29.700 0.024 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440