REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1q3g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.045 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 D N 3.760 124.187 120.400 0.045 0.000 2.443 2 D HA 0.360 5.000 4.640 -0.001 0.000 0.234 2 D C -0.341 175.968 176.300 0.014 0.000 1.172 2 D CA 0.930 54.953 54.000 0.038 0.000 0.878 2 D CB 0.709 41.527 40.800 0.030 0.000 1.204 2 D HN 0.531 nan 8.370 nan 0.000 0.453 3 K N 0.515 120.941 120.400 0.042 0.000 2.495 3 K HA 0.478 4.797 4.320 -0.001 0.000 0.268 3 K C -0.921 175.814 176.600 0.224 0.000 1.008 3 K CA -0.774 55.541 56.287 0.045 0.000 0.882 3 K CB 1.950 34.490 32.500 0.066 0.000 1.443 3 K HN 0.292 nan 8.250 nan 0.000 0.447 4 F N 1.235 121.187 119.950 0.003 0.000 2.467 4 F HA 0.409 4.935 4.527 -0.001 0.000 0.336 4 F C 0.123 175.921 175.800 -0.005 0.000 1.123 4 F CA -1.029 56.969 58.000 -0.003 0.000 0.964 4 F CB 1.996 40.986 39.000 -0.016 0.000 1.136 4 F HN 0.248 nan 8.300 nan 0.000 0.447 5 R N 3.855 124.439 120.500 0.140 0.000 2.265 5 R HA 0.591 4.931 4.340 -0.001 0.000 0.328 5 R C -1.802 174.501 176.300 0.005 0.000 0.969 5 R CA -0.366 55.770 56.100 0.061 0.000 0.832 5 R CB 1.299 31.623 30.300 0.040 0.000 1.139 5 R HN 0.468 nan 8.270 nan 0.000 0.457 6 V N 4.511 124.430 119.914 0.010 0.000 2.555 6 V HA 0.345 4.464 4.120 -0.001 0.000 0.302 6 V C -0.424 175.662 176.094 -0.014 0.000 1.038 6 V CA -0.792 61.496 62.300 -0.020 0.000 0.887 6 V CB 1.828 33.645 31.823 -0.011 0.000 0.991 6 V HN 0.766 nan 8.190 nan 0.000 0.434 7 Q N 1.657 121.443 119.800 -0.023 0.000 2.331 7 Q HA 0.716 5.056 4.340 -0.001 0.000 0.267 7 Q C 0.031 176.021 176.000 -0.018 0.000 1.006 7 Q CA -0.222 55.571 55.803 -0.017 0.000 0.818 7 Q CB 2.276 31.004 28.738 -0.017 0.000 1.276 7 Q HN 1.004 nan 8.270 nan 0.000 0.450 8 G N 2.269 111.061 108.800 -0.013 0.000 3.015 8 G HA2 0.693 4.652 3.960 -0.001 0.000 0.281 8 G HA3 0.693 4.652 3.960 -0.001 0.000 0.281 8 G C -2.874 172.020 174.900 -0.010 0.000 1.386 8 G CA -1.272 43.820 45.100 -0.013 0.000 0.959 8 G HN 0.409 nan 8.290 nan 0.000 0.522 9 P HA 0.366 nan 4.420 nan 0.000 0.281 9 P C -0.748 176.546 177.300 -0.010 0.000 1.249 9 P CA -0.073 63.020 63.100 -0.010 0.000 0.810 9 P CB 1.606 33.301 31.700 -0.009 0.000 1.008 10 T N -0.903 113.644 114.554 -0.011 0.000 2.991 10 T HA 0.368 4.718 4.350 -0.001 0.000 0.303 10 T C -0.268 174.428 174.700 -0.008 0.000 1.015 10 T CA -1.039 61.055 62.100 -0.010 0.000 1.007 10 T CB 1.183 70.043 68.868 -0.013 0.000 1.034 10 T HN 0.476 nan 8.240 nan 0.000 0.446 11 R N 3.865 124.362 120.500 -0.006 0.000 2.370 11 R HA 0.407 4.746 4.340 -0.001 0.000 0.309 11 R C -0.625 175.674 176.300 -0.001 0.000 1.059 11 R CA -0.543 55.555 56.100 -0.004 0.000 0.981 11 R CB 0.147 30.445 30.300 -0.003 0.000 0.972 11 R HN 0.712 nan 8.270 nan 0.000 0.437 12 L N 6.124 127.349 121.223 0.005 0.000 2.281 12 L HA 0.271 4.610 4.340 -0.001 0.000 0.285 12 L C 0.014 176.892 176.870 0.013 0.000 1.074 12 L CA -0.127 54.722 54.840 0.016 0.000 0.817 12 L CB 0.985 43.067 42.059 0.038 0.000 1.168 12 L HN 0.785 nan 8.230 nan 0.000 0.434 13 Q N 3.045 122.848 119.800 0.005 0.000 2.578 13 Q HA 0.772 5.112 4.340 -0.001 0.000 0.284 13 Q C -0.509 175.480 176.000 -0.018 0.000 0.960 13 Q CA -0.403 55.397 55.803 -0.005 0.000 0.809 13 Q CB 2.728 31.459 28.738 -0.011 0.000 1.462 13 Q HN 0.681 nan 8.270 nan 0.000 0.392 14 G N 1.064 109.848 108.800 -0.027 0.000 2.217 14 G HA2 0.023 3.983 3.960 -0.001 0.000 0.173 14 G HA3 0.023 3.983 3.960 -0.001 0.000 0.173 14 G C -1.507 173.360 174.900 -0.054 0.000 1.324 14 G CA -0.312 44.763 45.100 -0.042 0.000 1.225 14 G HN 0.685 nan 8.290 nan 0.000 0.494 15 E N -1.508 118.647 120.200 -0.075 0.000 2.369 15 E HA 0.662 5.011 4.350 -0.001 0.000 0.270 15 E C -1.507 175.005 176.600 -0.147 0.000 0.909 15 E CA -0.761 55.584 56.400 -0.092 0.000 0.775 15 E CB 3.194 32.845 29.700 -0.081 0.000 1.270 15 E HN 0.941 nan 8.360 nan 0.000 0.445 16 V N 0.848 120.657 119.914 -0.176 0.000 3.048 16 V HA 0.431 4.551 4.120 -0.001 0.000 0.303 16 V C -1.549 174.440 176.094 -0.175 0.000 1.214 16 V CA -0.267 61.865 62.300 -0.281 0.000 0.984 16 V CB 2.510 33.944 31.823 -0.649 0.000 1.054 16 V HN 0.709 nan 8.190 nan 0.000 0.430 17 T N 7.353 121.823 114.554 -0.141 0.000 2.756 17 T HA 0.534 4.884 4.350 -0.001 0.000 0.290 17 T C -0.181 174.499 174.700 -0.034 0.000 0.985 17 T CA -0.276 61.789 62.100 -0.059 0.000 0.955 17 T CB 0.661 69.507 68.868 -0.036 0.000 0.930 17 T HN 0.488 nan 8.240 nan 0.000 0.451 18 I N 3.206 123.781 120.570 0.009 0.000 2.648 18 I HA 0.128 4.298 4.170 -0.001 0.000 0.284 18 I C 1.176 177.317 176.117 0.041 0.000 1.153 18 I CA 0.160 61.492 61.300 0.055 0.000 1.426 18 I CB 0.258 38.302 38.000 0.074 0.000 1.381 18 I HN 0.567 nan 8.210 nan 0.000 0.571 19 S N 4.008 119.741 115.700 0.055 0.000 2.681 19 S HA 0.509 4.978 4.470 -0.001 0.000 0.270 19 S C 0.654 175.260 174.600 0.009 0.000 1.209 19 S CA -0.573 57.645 58.200 0.030 0.000 0.988 19 S CB 1.184 64.409 63.200 0.041 0.000 1.006 19 S HN 0.850 nan 8.310 nan 0.000 0.558 20 G N 0.095 108.890 108.800 -0.009 0.000 2.554 20 G HA2 0.438 4.397 3.960 -0.001 0.000 0.238 20 G HA3 0.438 4.397 3.960 -0.001 0.000 0.238 20 G C -0.082 174.804 174.900 -0.024 0.000 1.259 20 G CA -0.339 44.748 45.100 -0.022 0.000 0.843 20 G HN 0.891 nan 8.290 nan 0.000 0.582 21 A N 1.237 124.041 122.820 -0.026 0.000 2.491 21 A HA 0.268 4.588 4.320 -0.001 0.000 0.261 21 A C 1.629 179.196 177.584 -0.028 0.000 1.101 21 A CA 0.266 52.285 52.037 -0.030 0.000 0.772 21 A CB 0.294 19.277 19.000 -0.027 0.000 1.043 21 A HN 0.917 nan 8.150 nan 0.000 0.501 22 K N 2.542 122.920 120.400 -0.036 0.000 2.063 22 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 22 K C 0.465 177.084 176.600 0.032 0.000 1.048 22 K CA 1.945 58.224 56.287 -0.013 0.000 0.928 22 K CB -0.116 32.360 32.500 -0.039 0.000 0.713 22 K HN 0.711 nan 8.250 nan 0.000 0.442 23 N N 0.078 118.798 118.700 0.034 0.000 2.434 23 N HA 0.021 4.760 4.740 -0.001 0.000 0.196 23 N C 0.507 176.045 175.510 0.046 0.000 1.183 23 N CA 0.716 53.822 53.050 0.093 0.000 0.849 23 N CB 0.882 39.426 38.487 0.096 0.000 0.992 23 N HN 0.369 nan 8.380 nan 0.000 0.460 24 A N -0.188 122.629 122.820 -0.004 0.000 1.997 24 A HA 0.462 4.781 4.320 -0.001 0.000 0.198 24 A C 2.089 179.622 177.584 -0.085 0.000 1.449 24 A CA 0.640 52.646 52.037 -0.052 0.000 0.908 24 A CB -0.334 18.648 19.000 -0.031 0.000 0.984 24 A HN 0.177 nan 8.150 nan 0.000 0.487 25 A N 0.412 123.198 122.820 -0.056 0.000 1.902 25 A HA -0.006 4.313 4.320 -0.001 0.000 0.217 25 A C 2.106 179.653 177.584 -0.062 0.000 1.181 25 A CA 1.495 53.481 52.037 -0.085 0.000 0.623 25 A CB -0.682 18.283 19.000 -0.058 0.000 0.818 25 A HN 0.436 nan 8.150 nan 0.000 0.443 26 L N -0.030 121.224 121.223 0.051 0.000 1.976 26 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 26 L C -0.171 176.828 176.870 0.216 0.000 1.071 26 L CA 1.866 56.840 54.840 0.222 0.000 0.746 26 L CB -1.443 40.879 42.059 0.439 0.000 0.890 26 L HN 0.306 nan 8.230 nan 0.000 0.432 27 P HA -0.171 nan 4.420 nan 0.000 0.218 27 P C 1.799 178.940 177.300 -0.265 0.000 1.149 27 P CA 1.625 64.382 63.100 -0.571 0.000 0.817 27 P CB 0.046 31.145 31.700 -1.001 0.000 0.785 28 I N -0.740 119.668 120.570 -0.270 0.000 2.353 28 I HA -0.173 3.996 4.170 -0.001 0.000 0.248 28 I C 2.632 178.521 176.117 -0.381 0.000 1.119 28 I CA 0.950 61.982 61.300 -0.447 0.000 1.417 28 I CB -0.502 37.073 38.000 -0.708 0.000 1.078 28 I HN -0.147 nan 8.210 nan 0.000 0.421 29 L N -0.394 120.683 121.223 -0.244 0.000 2.083 29 L HA -0.213 4.126 4.340 -0.001 0.000 0.209 29 L C 2.413 179.192 176.870 -0.152 0.000 1.083 29 L CA 1.581 56.289 54.840 -0.221 0.000 0.752 29 L CB -0.478 41.427 42.059 -0.256 0.000 0.899 29 L HN 0.147 nan 8.230 nan 0.000 0.433 30 F N -0.449 119.500 119.950 -0.002 0.000 2.259 30 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 30 F C 2.561 178.405 175.800 0.075 0.000 1.088 30 F CA 0.901 58.944 58.000 0.072 0.000 1.358 30 F CB -0.460 38.624 39.000 0.141 0.000 1.040 30 F HN -0.005 nan 8.300 nan 0.000 0.505 31 A N 0.114 123.060 122.820 0.209 0.000 2.019 31 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 31 A C 2.344 180.102 177.584 0.290 0.000 1.164 31 A CA 1.464 53.634 52.037 0.222 0.000 0.644 31 A CB -1.152 18.004 19.000 0.259 0.000 0.805 31 A HN 0.299 nan 8.150 nan 0.000 0.449 32 A N -0.277 122.719 122.820 0.293 0.000 2.076 32 A HA -0.032 4.288 4.320 -0.001 0.000 0.220 32 A C 1.966 179.665 177.584 0.192 0.000 1.160 32 A CA 1.257 53.461 52.037 0.279 0.000 0.653 32 A CB -0.588 18.521 19.000 0.182 0.000 0.801 32 A HN 0.502 nan 8.150 nan 0.000 0.455 33 L N -0.809 120.532 121.223 0.196 0.000 2.349 33 L HA -0.157 4.182 4.340 -0.001 0.000 0.220 33 L C 2.068 179.079 176.870 0.235 0.000 1.130 33 L CA 0.694 55.673 54.840 0.232 0.000 0.791 33 L CB -0.322 41.907 42.059 0.282 0.000 0.918 33 L HN 0.431 nan 8.230 nan 0.000 0.444 34 L N -0.696 120.623 121.223 0.160 0.000 2.341 34 L HA 0.101 4.441 4.340 -0.001 0.000 0.214 34 L C 1.375 178.263 176.870 0.031 0.000 1.115 34 L CA -0.335 54.549 54.840 0.074 0.000 0.820 34 L CB -0.344 41.733 42.059 0.031 0.000 0.944 34 L HN 0.111 nan 8.230 nan 0.000 0.452 35 A N 0.413 123.268 122.820 0.058 0.000 2.450 35 A HA 0.113 4.433 4.320 -0.001 0.000 0.255 35 A C 0.971 178.588 177.584 0.054 0.000 1.096 35 A CA -0.165 51.891 52.037 0.031 0.000 0.778 35 A CB 0.259 19.291 19.000 0.053 0.000 1.031 35 A HN 0.309 nan 8.150 nan 0.000 0.494 36 E N 1.623 121.838 120.200 0.024 0.000 2.307 36 E HA -0.009 4.341 4.350 -0.001 0.000 0.195 36 E C 0.349 176.975 176.600 0.044 0.000 0.975 36 E CA 0.390 56.812 56.400 0.036 0.000 0.878 36 E CB 0.362 30.065 29.700 0.006 0.000 0.845 36 E HN 0.864 nan 8.360 nan 0.000 0.488 37 E N 0.999 121.220 120.200 0.034 0.000 3.099 37 E HA 0.236 4.586 4.350 -0.001 0.000 0.259 37 E C -2.460 174.178 176.600 0.064 0.000 1.274 37 E CA -1.949 54.476 56.400 0.041 0.000 1.111 37 E CB 0.330 30.046 29.700 0.026 0.000 1.327 37 E HN -0.104 nan 8.360 nan 0.000 0.652 38 P HA 0.187 nan 4.420 nan 0.000 0.284 38 P C -1.309 176.062 177.300 0.118 0.000 1.253 38 P CA -0.156 63.007 63.100 0.104 0.000 0.800 38 P CB 0.902 32.667 31.700 0.108 0.000 0.961 39 V N 2.223 122.225 119.914 0.147 0.000 2.760 39 V HA 0.406 4.526 4.120 -0.001 0.000 0.309 39 V C -0.374 175.792 176.094 0.120 0.000 1.077 39 V CA -0.531 61.862 62.300 0.155 0.000 0.910 39 V CB 2.181 34.125 31.823 0.202 0.000 1.008 39 V HN 0.517 nan 8.190 nan 0.000 0.424 40 E N 4.137 124.368 120.200 0.051 0.000 2.216 40 E HA 0.546 4.895 4.350 -0.001 0.000 0.260 40 E C -1.598 174.895 176.600 -0.178 0.000 0.880 40 E CA -0.564 55.711 56.400 -0.209 0.000 0.765 40 E CB 1.657 31.225 29.700 -0.220 0.000 1.174 40 E HN 0.644 nan 8.360 nan 0.000 0.417 41 I N 4.545 124.944 120.570 -0.285 0.000 2.328 41 I HA 0.185 4.355 4.170 -0.001 0.000 0.287 41 I C 0.230 176.175 176.117 -0.286 0.000 1.012 41 I CA -0.511 60.662 61.300 -0.212 0.000 1.195 41 I CB 1.394 39.248 38.000 -0.242 0.000 1.350 41 I HN 0.379 nan 8.210 nan 0.000 0.464 42 Q N 4.011 123.684 119.800 -0.210 0.000 2.212 42 Q HA 0.283 4.622 4.340 -0.001 0.000 0.238 42 Q C 0.380 176.290 176.000 -0.151 0.000 0.955 42 Q CA -0.700 54.977 55.803 -0.209 0.000 0.906 42 Q CB 0.735 29.373 28.738 -0.166 0.000 1.215 42 Q HN 0.584 nan 8.270 nan 0.000 0.478 43 N N -0.661 117.963 118.700 -0.126 0.000 2.754 43 N HA -0.166 4.573 4.740 -0.001 0.000 0.248 43 N C -1.615 173.848 175.510 -0.078 0.000 1.093 43 N CA 0.266 53.265 53.050 -0.085 0.000 0.699 43 N CB -0.937 37.503 38.487 -0.077 0.000 1.016 43 N HN 0.333 nan 8.380 nan 0.000 0.552 44 V N 1.751 121.608 119.914 -0.096 0.000 2.455 44 V HA 0.342 4.462 4.120 -0.001 0.000 0.273 44 V C -1.365 174.702 176.094 -0.046 0.000 1.045 44 V CA -1.008 61.243 62.300 -0.081 0.000 0.976 44 V CB 1.006 32.763 31.823 -0.110 0.000 0.993 44 V HN 0.210 nan 8.190 nan 0.000 0.475 45 P HA 0.147 nan 4.420 nan 0.000 0.272 45 P C -0.742 176.560 177.300 0.004 0.000 1.223 45 P CA -0.444 62.653 63.100 -0.005 0.000 0.784 45 P CB 0.876 32.574 31.700 -0.003 0.000 0.923 46 K N 2.570 122.983 120.400 0.023 0.000 2.206 46 K HA 0.384 4.704 4.320 -0.001 0.000 0.268 46 K C -0.187 176.438 176.600 0.041 0.000 1.111 46 K CA -0.193 56.112 56.287 0.030 0.000 0.955 46 K CB -0.117 32.407 32.500 0.040 0.000 1.406 46 K HN 0.420 nan 8.250 nan 0.000 0.427 47 L N 1.160 122.403 121.223 0.033 0.000 2.333 47 L HA 0.358 4.698 4.340 -0.001 0.000 0.263 47 L C 1.402 178.295 176.870 0.039 0.000 1.014 47 L CA -1.070 53.795 54.840 0.042 0.000 0.820 47 L CB 1.306 43.383 42.059 0.032 0.000 1.352 47 L HN 0.278 nan 8.230 nan 0.000 0.421 48 K N 0.713 121.141 120.400 0.046 0.000 2.103 48 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 48 K C 1.058 177.678 176.600 0.034 0.000 1.048 48 K CA 1.725 58.035 56.287 0.038 0.000 0.930 48 K CB 0.083 32.611 32.500 0.046 0.000 0.716 48 K HN 0.618 nan 8.250 nan 0.000 0.444 49 D N 0.552 120.977 120.400 0.042 0.000 2.219 49 D HA -0.117 4.523 4.640 -0.001 0.000 0.205 49 D C 1.840 178.168 176.300 0.046 0.000 0.970 49 D CA 0.529 54.560 54.000 0.051 0.000 0.851 49 D CB 0.061 40.900 40.800 0.066 0.000 0.943 49 D HN 0.161 nan 8.370 nan 0.000 0.488 50 I N 1.343 121.930 120.570 0.028 0.000 2.353 50 I HA -0.164 4.006 4.170 -0.001 0.000 0.248 50 I C 1.673 177.786 176.117 -0.007 0.000 1.119 50 I CA 1.018 62.321 61.300 0.004 0.000 1.417 50 I CB -0.711 37.287 38.000 -0.004 0.000 1.078 50 I HN -0.058 nan 8.210 nan 0.000 0.421 51 D N 0.708 121.112 120.400 0.006 0.000 2.097 51 D HA -0.130 4.510 4.640 -0.001 0.000 0.197 51 D C 2.137 178.436 176.300 -0.001 0.000 0.984 51 D CA 1.631 55.633 54.000 0.003 0.000 0.826 51 D CB -0.308 40.498 40.800 0.010 0.000 0.973 51 D HN 0.234 nan 8.370 nan 0.000 0.460 52 T N 0.537 115.096 114.554 0.009 0.000 2.720 52 T HA -0.119 4.231 4.350 -0.001 0.000 0.268 52 T C 2.021 176.728 174.700 0.012 0.000 1.037 52 T CA 1.671 63.780 62.100 0.015 0.000 1.144 52 T CB -0.473 68.412 68.868 0.028 0.000 0.864 52 T HN 0.149 nan 8.240 nan 0.000 0.444 53 T N 2.079 116.630 114.554 -0.004 0.000 2.746 53 T HA 0.003 4.353 4.350 -0.001 0.000 0.267 53 T C 2.057 176.667 174.700 -0.150 0.000 1.039 53 T CA 1.124 63.160 62.100 -0.105 0.000 1.142 53 T CB -0.343 68.413 68.868 -0.188 0.000 0.866 53 T HN 0.323 nan 8.240 nan 0.000 0.444 54 M N 0.580 120.123 119.600 -0.094 0.000 2.117 54 M HA -0.085 4.394 4.480 -0.001 0.000 0.262 54 M C 2.426 178.699 176.300 -0.044 0.000 1.065 54 M CA 1.495 56.753 55.300 -0.071 0.000 1.114 54 M CB -0.299 32.280 32.600 -0.034 0.000 1.361 54 M HN 0.105 nan 8.290 nan 0.000 0.408 55 K N 0.874 121.259 120.400 -0.025 0.000 2.057 55 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 55 K C 1.913 178.508 176.600 -0.008 0.000 1.049 55 K CA 1.215 57.495 56.287 -0.011 0.000 0.931 55 K CB -0.168 32.331 32.500 -0.002 0.000 0.714 55 K HN 0.305 nan 8.250 nan 0.000 0.440 56 L N 1.012 122.234 121.223 -0.003 0.000 2.027 56 L HA -0.180 4.159 4.340 -0.001 0.000 0.206 56 L C 2.177 179.047 176.870 0.000 0.000 1.074 56 L CA 1.160 56.015 54.840 0.025 0.000 0.745 56 L CB -0.205 41.907 42.059 0.088 0.000 0.898 56 L HN 0.267 nan 8.230 nan 0.000 0.433 57 L N -0.668 120.524 121.223 -0.052 0.000 2.012 57 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 57 L C 2.526 179.375 176.870 -0.034 0.000 1.073 57 L CA 1.966 56.773 54.840 -0.055 0.000 0.748 57 L CB -0.969 41.029 42.059 -0.103 0.000 0.891 57 L HN 0.307 nan 8.230 nan 0.000 0.431 58 T N -0.493 114.043 114.554 -0.031 0.000 2.759 58 T HA -0.261 4.088 4.350 -0.001 0.000 0.269 58 T C 1.770 176.450 174.700 -0.033 0.000 1.042 58 T CA 1.767 63.853 62.100 -0.024 0.000 1.140 58 T CB -0.249 68.610 68.868 -0.016 0.000 0.864 58 T HN 0.540 nan 8.240 nan 0.000 0.455 59 Q N 0.847 120.630 119.800 -0.029 0.000 2.291 59 Q HA 0.074 4.413 4.340 -0.001 0.000 0.205 59 Q C 1.893 177.850 176.000 -0.072 0.000 0.970 59 Q CA 1.126 56.907 55.803 -0.037 0.000 0.876 59 Q CB -0.601 28.128 28.738 -0.015 0.000 0.935 59 Q HN 0.424 nan 8.270 nan 0.000 0.455 60 L N 0.134 121.311 121.223 -0.076 0.000 2.610 60 L HA 0.202 4.542 4.340 -0.001 0.000 0.232 60 L C 0.884 177.636 176.870 -0.196 0.000 1.149 60 L CA 0.509 55.261 54.840 -0.147 0.000 0.872 60 L CB -0.181 41.822 42.059 -0.094 0.000 0.992 60 L HN 0.650 nan 8.230 nan 0.000 0.447 61 G N 0.082 108.808 108.800 -0.123 0.000 2.141 61 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.195 61 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.195 61 G C 0.110 174.976 174.900 -0.057 0.000 1.012 61 G CA -0.057 44.979 45.100 -0.106 0.000 0.696 61 G HN 0.222 nan 8.290 nan 0.000 0.508 62 T N 0.555 115.088 114.554 -0.035 0.000 2.907 62 T HA 0.555 4.905 4.350 -0.001 0.000 0.284 62 T C 0.270 174.975 174.700 0.008 0.000 1.004 62 T CA -0.294 61.807 62.100 0.001 0.000 1.063 62 T CB 1.584 70.457 68.868 0.007 0.000 0.992 62 T HN 0.268 nan 8.240 nan 0.000 0.483 63 K N 2.157 122.574 120.400 0.028 0.000 2.264 63 K HA 0.567 4.887 4.320 -0.001 0.000 0.277 63 K C -1.058 175.573 176.600 0.053 0.000 1.067 63 K CA -0.499 55.808 56.287 0.033 0.000 0.900 63 K CB 0.965 33.487 32.500 0.038 0.000 1.124 63 K HN 0.261 nan 8.250 nan 0.000 0.469 64 V N 3.021 122.963 119.914 0.046 0.000 2.604 64 V HA 0.405 4.524 4.120 -0.001 0.000 0.305 64 V C -0.514 175.630 176.094 0.083 0.000 1.043 64 V CA -0.853 61.486 62.300 0.065 0.000 0.888 64 V CB 1.705 33.544 31.823 0.026 0.000 0.995 64 V HN 0.872 nan 8.190 nan 0.000 0.429 65 E N 4.598 124.889 120.200 0.151 0.000 2.352 65 E HA 0.795 5.145 4.350 -0.001 0.000 0.280 65 E C -1.067 175.730 176.600 0.328 0.000 0.930 65 E CA -1.144 55.364 56.400 0.179 0.000 0.765 65 E CB 2.811 32.586 29.700 0.126 0.000 1.219 65 E HN 0.780 nan 8.360 nan 0.000 0.434 66 R N 1.085 121.745 120.500 0.266 0.000 2.846 66 R HA 0.444 4.783 4.340 -0.001 0.000 0.263 66 R C -0.555 175.923 176.300 0.298 0.000 1.080 66 R CA -0.382 55.907 56.100 0.315 0.000 0.961 66 R CB 0.614 30.990 30.300 0.126 0.000 1.231 66 R HN 0.550 nan 8.270 nan 0.000 0.465 67 D N 0.288 120.857 120.400 0.282 0.000 2.256 67 D HA 0.073 4.713 4.640 -0.001 0.000 0.279 67 D C 1.392 177.759 176.300 0.111 0.000 1.209 67 D CA 0.874 55.000 54.000 0.209 0.000 0.946 67 D CB -1.020 39.916 40.800 0.227 0.000 0.914 67 D HN 0.615 nan 8.370 nan 0.000 0.278 68 G N -1.075 107.769 108.800 0.075 0.000 2.662 68 G HA2 0.172 4.132 3.960 -0.001 0.000 0.212 68 G HA3 0.172 4.132 3.960 -0.001 0.000 0.212 68 G C 0.465 175.297 174.900 -0.113 0.000 1.141 68 G CA 0.203 45.298 45.100 -0.009 0.000 0.797 68 G HN 0.361 nan 8.290 nan 0.000 0.531 69 S N -1.105 114.447 115.700 -0.248 0.000 2.718 69 S HA 0.653 5.123 4.470 -0.001 0.000 0.300 69 S C -0.824 173.425 174.600 -0.585 0.000 1.117 69 S CA -0.491 57.361 58.200 -0.581 0.000 1.002 69 S CB 2.443 64.981 63.200 -1.104 0.000 1.092 69 S HN -0.051 nan 8.310 nan 0.000 0.542 70 V N 1.930 121.511 119.914 -0.555 0.000 2.444 70 V HA 0.352 4.472 4.120 -0.001 0.000 0.294 70 V C -1.012 174.895 176.094 -0.311 0.000 1.022 70 V CA -0.619 61.528 62.300 -0.254 0.000 0.850 70 V CB 1.083 32.817 31.823 -0.147 0.000 0.992 70 V HN 0.780 nan 8.190 nan 0.000 0.426 71 W N 5.500 126.802 121.300 0.002 0.000 2.361 71 W HA 0.572 5.231 4.660 -0.000 0.000 0.309 71 W C -0.733 175.794 176.519 0.013 0.000 1.122 71 W CA -0.579 56.776 57.345 0.015 0.000 1.208 71 W CB 1.629 31.098 29.460 0.015 0.000 1.246 71 W HN 0.300 nan 8.180 nan 0.000 0.490 72 I N 3.137 123.817 120.570 0.185 0.000 2.509 72 I HA 0.162 4.332 4.170 -0.001 0.000 0.293 72 I C -0.544 175.654 176.117 0.135 0.000 1.020 72 I CA -0.594 60.782 61.300 0.127 0.000 1.088 72 I CB 1.897 39.943 38.000 0.078 0.000 1.267 72 I HN 0.283 nan 8.210 nan 0.000 0.430 73 D N 4.393 124.858 120.400 0.109 0.000 2.389 73 D HA 0.563 5.203 4.640 -0.001 0.000 0.256 73 D C 0.426 176.778 176.300 0.088 0.000 1.239 73 D CA -0.307 53.752 54.000 0.098 0.000 0.925 73 D CB 1.759 42.609 40.800 0.084 0.000 1.145 73 D HN 0.598 nan 8.370 nan 0.000 0.542 74 A N 2.279 125.162 122.820 0.105 0.000 1.835 74 A HA 0.010 4.330 4.320 -0.001 0.000 0.213 74 A C 1.938 179.604 177.584 0.136 0.000 1.210 74 A CA 1.502 53.616 52.037 0.127 0.000 0.605 74 A CB -0.608 18.493 19.000 0.168 0.000 0.860 74 A HN 0.583 nan 8.150 nan 0.000 0.447 75 S N -0.119 115.661 115.700 0.134 0.000 2.521 75 S HA -0.306 4.164 4.470 -0.001 0.000 0.517 75 S C 1.072 175.764 174.600 0.154 0.000 0.973 75 S CA 1.907 60.183 58.200 0.126 0.000 3.182 75 S CB -1.131 62.120 63.200 0.086 0.000 2.244 75 S HN 0.789 nan 8.310 nan 0.000 0.529 76 N N 2.457 121.221 118.700 0.106 0.000 3.124 76 N HA 0.250 4.990 4.740 -0.001 0.000 0.284 76 N C -1.214 174.322 175.510 0.044 0.000 1.209 76 N CA 0.083 53.184 53.050 0.086 0.000 1.149 76 N CB -0.055 38.460 38.487 0.048 0.000 1.434 76 N HN 0.222 nan 8.380 nan 0.000 0.529 77 V N 3.931 123.886 119.914 0.068 0.000 2.383 77 V HA 0.199 4.319 4.120 -0.001 0.000 0.275 77 V C 1.105 177.009 176.094 -0.315 0.000 1.036 77 V CA -0.626 61.587 62.300 -0.146 0.000 0.889 77 V CB 1.289 32.990 31.823 -0.204 0.000 0.985 77 V HN 0.597 nan 8.190 nan 0.000 0.459 78 N N 3.596 122.043 118.700 -0.422 0.000 2.210 78 N HA 0.051 4.791 4.740 -0.001 0.000 0.203 78 N C 0.267 175.249 175.510 -0.879 0.000 1.175 78 N CA -0.169 52.598 53.050 -0.473 0.000 0.894 78 N CB 0.791 39.156 38.487 -0.203 0.000 1.041 78 N HN 0.651 nan 8.380 nan 0.000 0.506 79 N N -0.349 117.747 118.700 -1.008 0.000 2.335 79 N HA 0.355 5.094 4.740 -0.001 0.000 0.304 79 N C -1.309 173.457 175.510 -1.241 0.000 1.135 79 N CA -0.504 52.002 53.050 -0.906 0.000 0.817 79 N CB 1.182 39.436 38.487 -0.389 0.000 1.294 79 N HN -0.159 nan 8.380 nan 0.000 0.497 80 F N 0.201 120.103 119.950 -0.080 0.000 2.811 80 F HA 0.297 4.824 4.527 -0.001 0.000 0.342 80 F C 0.241 176.054 175.800 0.022 0.000 1.203 80 F CA -0.507 57.462 58.000 -0.051 0.000 1.173 80 F CB 0.505 39.472 39.000 -0.054 0.000 1.094 80 F HN 0.166 nan 8.300 nan 0.000 0.510 81 S N 1.222 116.987 115.700 0.108 0.000 2.500 81 S HA 0.848 5.318 4.470 -0.001 0.000 0.301 81 S C -0.556 174.131 174.600 0.145 0.000 1.092 81 S CA -0.390 57.898 58.200 0.146 0.000 1.030 81 S CB 1.266 64.529 63.200 0.104 0.000 1.031 81 S HN 0.210 nan 8.310 nan 0.000 0.483 82 A N 6.373 129.309 122.820 0.194 0.000 2.273 82 A HA 0.644 4.964 4.320 -0.001 0.000 0.320 82 A C -2.525 175.181 177.584 0.203 0.000 1.358 82 A CA -1.771 50.361 52.037 0.158 0.000 0.910 82 A CB 0.146 19.220 19.000 0.123 0.000 1.159 82 A HN 0.673 nan 8.150 nan 0.000 0.526 83 P HA -0.104 nan 4.420 nan 0.000 0.266 83 P C 0.378 177.773 177.300 0.159 0.000 1.195 83 P CA 0.228 63.480 63.100 0.254 0.000 0.768 83 P CB 0.554 32.358 31.700 0.174 0.000 0.838 84 Y N 4.065 124.394 120.300 0.049 0.000 2.069 84 Y HA -0.306 4.244 4.550 -0.001 0.000 0.278 84 Y C 2.020 177.899 175.900 -0.036 0.000 1.175 84 Y CA 2.630 60.677 58.100 -0.087 0.000 1.134 84 Y CB -0.661 37.764 38.460 -0.059 0.000 0.965 84 Y HN 0.400 nan 8.280 nan 0.000 0.498 85 D N -0.135 120.392 120.400 0.211 0.000 2.403 85 D HA -0.209 4.431 4.640 -0.001 0.000 0.227 85 D C 1.863 178.143 176.300 -0.033 0.000 0.995 85 D CA 1.143 55.197 54.000 0.090 0.000 0.928 85 D CB -0.399 40.494 40.800 0.156 0.000 0.887 85 D HN 0.556 nan 8.370 nan 0.000 0.529 86 L N 0.354 121.549 121.223 -0.047 0.000 2.433 86 L HA -0.005 4.335 4.340 -0.001 0.000 0.200 86 L C 2.420 179.237 176.870 -0.088 0.000 1.059 86 L CA 0.273 55.089 54.840 -0.039 0.000 0.835 86 L CB 0.173 42.240 42.059 0.014 0.000 1.076 86 L HN -0.020 nan 8.230 nan 0.000 0.481 87 V N -0.583 119.250 119.914 -0.135 0.000 2.970 87 V HA -0.199 3.921 4.120 -0.001 0.000 0.260 87 V C 2.201 178.148 176.094 -0.244 0.000 1.100 87 V CA 1.767 63.966 62.300 -0.168 0.000 1.122 87 V CB -0.872 30.839 31.823 -0.187 0.000 0.721 87 V HN 0.615 nan 8.190 nan 0.000 0.483 88 K N 1.625 121.812 120.400 -0.355 0.000 2.442 88 K HA -0.080 4.239 4.320 -0.001 0.000 0.198 88 K C 1.727 178.205 176.600 -0.203 0.000 1.042 88 K CA 1.632 57.695 56.287 -0.373 0.000 0.958 88 K CB -0.636 31.529 32.500 -0.558 0.000 0.766 88 K HN 0.658 nan 8.250 nan 0.000 0.474 89 T N -2.219 112.245 114.554 -0.150 0.000 3.022 89 T HA 0.200 4.550 4.350 -0.001 0.000 0.250 89 T C 0.574 175.235 174.700 -0.064 0.000 1.060 89 T CA -0.408 61.637 62.100 -0.092 0.000 1.013 89 T CB 0.061 68.885 68.868 -0.073 0.000 0.982 89 T HN 0.257 nan 8.240 nan 0.000 0.508 90 M N 2.254 121.808 119.600 -0.078 0.000 2.380 90 M HA 0.318 4.797 4.480 -0.001 0.000 0.202 90 M C 0.611 176.845 176.300 -0.109 0.000 0.975 90 M CA -0.633 54.632 55.300 -0.059 0.000 0.971 90 M CB 1.297 33.900 32.600 0.005 0.000 2.685 90 M HN 0.116 nan 8.290 nan 0.000 0.431 91 R N 2.076 122.480 120.500 -0.161 0.000 2.189 91 R HA 0.012 4.352 4.340 -0.001 0.000 0.223 91 R C 1.103 177.201 176.300 -0.337 0.000 1.092 91 R CA 1.563 57.523 56.100 -0.234 0.000 0.989 91 R CB -0.515 29.644 30.300 -0.235 0.000 0.876 91 R HN 0.680 nan 8.270 nan 0.000 0.457 92 A N 1.956 124.579 122.820 -0.328 0.000 2.186 92 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 92 A C 2.180 179.445 177.584 -0.532 0.000 1.159 92 A CA 1.528 53.246 52.037 -0.533 0.000 0.680 92 A CB -0.542 18.310 19.000 -0.247 0.000 0.787 92 A HN 0.657 nan 8.150 nan 0.000 0.467 93 S N -0.424 115.107 115.700 -0.281 0.000 2.547 93 S HA -0.103 4.367 4.470 -0.001 0.000 0.235 93 S C 1.565 175.927 174.600 -0.397 0.000 0.980 93 S CA 0.942 58.998 58.200 -0.241 0.000 0.941 93 S CB -0.582 62.659 63.200 0.068 0.000 0.763 93 S HN 0.480 nan 8.310 nan 0.000 0.532 94 I N 0.975 121.278 120.570 -0.444 0.000 2.567 94 I HA -0.019 4.150 4.170 -0.001 0.000 0.257 94 I C 1.501 177.452 176.117 -0.277 0.000 1.184 94 I CA 0.647 61.725 61.300 -0.371 0.000 1.451 94 I CB -0.625 37.060 38.000 -0.524 0.000 1.089 94 I HN 0.355 nan 8.210 nan 0.000 0.441 95 W N 0.582 121.557 121.300 -0.542 0.000 2.848 95 W HA 0.080 4.739 4.660 -0.001 0.000 0.241 95 W C 2.298 178.615 176.519 -0.336 0.000 1.289 95 W CA 0.726 57.791 57.345 -0.467 0.000 1.396 95 W CB -1.150 27.939 29.460 -0.618 0.000 1.138 95 W HN 0.320 nan 8.180 nan 0.000 0.677 96 A N -0.430 122.333 122.820 -0.095 0.000 1.975 96 A HA -0.059 4.261 4.320 -0.001 0.000 0.215 96 A C 1.948 179.657 177.584 0.207 0.000 1.170 96 A CA 0.713 52.893 52.037 0.238 0.000 0.656 96 A CB -0.616 18.585 19.000 0.335 0.000 0.821 96 A HN 0.121 nan 8.150 nan 0.000 0.449 97 L N 0.426 121.731 121.223 0.135 0.000 1.990 97 L HA -0.119 4.221 4.340 -0.001 0.000 0.213 97 L C 2.425 179.388 176.870 0.154 0.000 1.072 97 L CA 2.441 57.364 54.840 0.137 0.000 0.755 97 L CB -1.086 41.031 42.059 0.096 0.000 0.889 97 L HN 0.326 nan 8.230 nan 0.000 0.432 98 G N -0.768 108.131 108.800 0.164 0.000 2.545 98 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 98 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 98 G C -0.607 174.378 174.900 0.142 0.000 1.218 98 G CA 1.044 46.231 45.100 0.146 0.000 0.787 98 G HN 0.387 nan 8.290 nan 0.000 0.571 99 P HA -0.039 nan 4.420 nan 0.000 0.215 99 P C 2.144 179.588 177.300 0.242 0.000 1.153 99 P CA 0.714 63.925 63.100 0.185 0.000 0.853 99 P CB -0.124 31.713 31.700 0.228 0.000 0.788 100 L N -0.971 120.430 121.223 0.296 0.000 2.012 100 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 100 L C 2.481 179.522 176.870 0.284 0.000 1.073 100 L CA 1.504 56.580 54.840 0.392 0.000 0.748 100 L CB -1.219 41.040 42.059 0.332 0.000 0.891 100 L HN -0.074 nan 8.230 nan 0.000 0.431 101 V N -0.211 119.800 119.914 0.161 0.000 2.453 101 V HA -0.190 3.929 4.120 -0.001 0.000 0.247 101 V C 2.548 178.671 176.094 0.047 0.000 1.048 101 V CA 1.718 64.067 62.300 0.081 0.000 1.049 101 V CB 0.002 31.862 31.823 0.061 0.000 0.672 101 V HN 0.416 nan 8.190 nan 0.000 0.457 102 A N -0.033 122.819 122.820 0.054 0.000 1.930 102 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 102 A C 2.426 179.978 177.584 -0.053 0.000 1.175 102 A CA 1.915 53.955 52.037 0.004 0.000 0.627 102 A CB -0.484 18.525 19.000 0.014 0.000 0.815 102 A HN 0.598 nan 8.150 nan 0.000 0.443 103 R N -2.361 118.094 120.500 -0.075 0.000 2.146 103 R HA 0.161 4.501 4.340 -0.001 0.000 0.206 103 R C 0.562 176.548 176.300 -0.524 0.000 1.049 103 R CA 0.705 56.609 56.100 -0.327 0.000 1.029 103 R CB 0.041 30.064 30.300 -0.461 0.000 0.949 103 R HN 0.443 nan 8.270 nan 0.000 0.471 104 F N -0.441 119.479 119.950 -0.050 0.000 2.661 104 F HA 0.404 4.930 4.527 -0.001 0.000 0.306 104 F C 1.285 176.940 175.800 -0.241 0.000 1.094 104 F CA 0.331 58.230 58.000 -0.169 0.000 1.254 104 F CB 1.350 40.158 39.000 -0.321 0.000 1.040 104 F HN 0.261 nan 8.300 nan 0.000 0.562 105 G N 1.085 109.868 108.800 -0.029 0.000 2.189 105 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.267 105 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.267 105 G C 0.110 174.968 174.900 -0.070 0.000 0.975 105 G CA 0.704 45.774 45.100 -0.051 0.000 0.644 105 G HN 0.537 nan 8.290 nan 0.000 0.537 106 Q N -1.934 117.803 119.800 -0.106 0.000 2.575 106 Q HA 0.668 5.008 4.340 -0.001 0.000 0.290 106 Q C -0.454 175.522 176.000 -0.039 0.000 0.963 106 Q CA -0.534 55.207 55.803 -0.104 0.000 0.783 106 Q CB 1.707 30.331 28.738 -0.190 0.000 1.467 106 Q HN 1.705 nan 8.270 nan 0.000 0.402 107 G N 1.355 110.186 108.800 0.051 0.000 2.429 107 G HA2 0.414 4.374 3.960 -0.001 0.000 0.300 107 G HA3 0.414 4.374 3.960 -0.001 0.000 0.300 107 G C -2.200 172.787 174.900 0.144 0.000 1.598 107 G CA -0.647 44.542 45.100 0.148 0.000 0.863 107 G HN 0.676 nan 8.290 nan 0.000 0.614 108 Q N 0.484 120.392 119.800 0.181 0.000 2.271 108 Q HA 0.685 5.024 4.340 -0.001 0.000 0.268 108 Q C -1.508 174.631 176.000 0.232 0.000 1.021 108 Q CA -0.989 54.934 55.803 0.200 0.000 0.802 108 Q CB 2.413 31.275 28.738 0.208 0.000 1.282 108 Q HN 0.643 nan 8.270 nan 0.000 0.431 109 V N 1.104 121.124 119.914 0.176 0.000 2.656 109 V HA 0.404 4.524 4.120 -0.001 0.000 0.307 109 V C 0.106 176.173 176.094 -0.046 0.000 1.051 109 V CA -0.815 61.536 62.300 0.085 0.000 0.893 109 V CB 1.927 33.759 31.823 0.014 0.000 0.999 109 V HN 0.898 nan 8.190 nan 0.000 0.426 110 S N 4.163 119.720 115.700 -0.238 0.000 2.525 110 S HA 0.220 4.689 4.470 -0.001 0.000 0.285 110 S C -0.071 174.371 174.600 -0.264 0.000 1.283 110 S CA -0.401 57.487 58.200 -0.521 0.000 1.072 110 S CB -0.005 62.888 63.200 -0.512 0.000 0.867 110 S HN 0.650 nan 8.310 nan 0.000 0.492 111 L N 8.091 129.193 121.223 -0.201 0.000 2.597 111 L HA 0.222 4.561 4.340 -0.001 0.000 0.271 111 L C -1.644 175.147 176.870 -0.133 0.000 1.157 111 L CA -1.448 53.317 54.840 -0.125 0.000 0.928 111 L CB 0.451 42.471 42.059 -0.066 0.000 1.216 111 L HN 0.601 nan 8.230 nan 0.000 0.481 112 P HA 0.086 nan 4.420 nan 0.000 0.268 112 P C -0.008 177.226 177.300 -0.110 0.000 1.205 112 P CA -0.221 62.780 63.100 -0.165 0.000 0.771 112 P CB 0.971 32.555 31.700 -0.192 0.000 0.858 113 G N 1.742 110.484 108.800 -0.097 0.000 2.531 113 G HA2 0.476 4.436 3.960 -0.001 0.000 0.253 113 G HA3 0.476 4.436 3.960 -0.001 0.000 0.253 113 G C 0.232 175.101 174.900 -0.053 0.000 1.439 113 G CA -0.402 44.668 45.100 -0.050 0.000 1.056 113 G HN 0.626 nan 8.290 nan 0.000 0.555 114 G N -2.110 106.671 108.800 -0.032 0.000 2.606 114 G HA2 0.407 4.366 3.960 -0.001 0.000 0.252 114 G HA3 0.407 4.366 3.960 -0.001 0.000 0.252 114 G C -0.386 174.490 174.900 -0.041 0.000 1.206 114 G CA 0.093 45.176 45.100 -0.029 0.000 0.861 114 G HN 0.706 nan 8.290 nan 0.000 0.561 115 C N 0.047 119.320 119.300 -0.044 0.000 2.630 115 C HA 0.715 5.174 4.460 -0.001 0.000 0.346 115 C C 1.968 176.926 174.990 -0.054 0.000 1.245 115 C CA 0.264 59.245 59.018 -0.061 0.000 1.804 115 C CB 1.225 28.906 27.740 -0.099 0.000 2.279 115 C HN 1.022 nan 8.230 nan 0.000 0.498 116 A N 1.510 124.294 122.820 -0.059 0.000 1.877 116 A HA -0.072 4.248 4.320 -0.001 0.000 0.216 116 A C 1.698 179.238 177.584 -0.074 0.000 1.186 116 A CA 2.111 54.116 52.037 -0.054 0.000 0.620 116 A CB -0.708 18.258 19.000 -0.057 0.000 0.822 116 A HN 1.070 nan 8.150 nan 0.000 0.443 117 I N -4.204 116.284 120.570 -0.137 0.000 3.564 117 I HA 0.464 4.633 4.170 -0.001 0.000 0.294 117 I C 0.737 176.815 176.117 -0.065 0.000 1.289 117 I CA 0.455 61.663 61.300 -0.153 0.000 1.325 117 I CB -0.315 37.486 38.000 -0.332 0.000 1.039 117 I HN 0.285 nan 8.210 nan 0.000 0.474 118 G N -0.144 108.638 108.800 -0.030 0.000 2.340 118 G HA2 0.420 4.379 3.960 -0.001 0.000 0.298 118 G HA3 0.420 4.379 3.960 -0.001 0.000 0.298 118 G C 0.078 175.003 174.900 0.040 0.000 1.498 118 G CA -0.278 44.862 45.100 0.067 0.000 0.847 118 G HN 0.029 nan 8.290 nan 0.000 0.594 119 A N 0.058 122.904 122.820 0.044 0.000 1.933 119 A HA 0.187 4.507 4.320 -0.001 0.000 0.218 119 A C 1.589 179.186 177.584 0.021 0.000 1.175 119 A CA 1.848 53.897 52.037 0.020 0.000 0.628 119 A CB -0.565 18.443 19.000 0.014 0.000 0.814 119 A HN 1.455 nan 8.150 nan 0.000 0.444 120 R N -1.135 119.404 120.500 0.065 0.000 3.127 120 R HA -0.122 4.218 4.340 -0.001 0.000 0.247 120 R C -2.300 174.006 176.300 0.011 0.000 0.896 120 R CA 0.401 56.545 56.100 0.074 0.000 0.624 120 R CB -2.020 28.320 30.300 0.067 0.000 1.154 120 R HN 0.561 nan 8.270 nan 0.000 0.474 121 P HA 0.009 nan 4.420 nan 0.000 0.271 121 P C 0.187 177.487 177.300 -0.000 0.000 1.244 121 P CA -0.194 62.903 63.100 -0.004 0.000 0.793 121 P CB 0.959 32.662 31.700 0.004 0.000 0.984 122 V N 0.800 120.708 119.914 -0.011 0.000 3.078 122 V HA -0.007 4.113 4.120 -0.001 0.000 0.344 122 V C 1.620 177.783 176.094 0.115 0.000 1.409 122 V CA 0.132 62.431 62.300 -0.002 0.000 1.146 122 V CB -0.523 31.168 31.823 -0.220 0.000 1.126 122 V HN 0.611 nan 8.190 nan 0.000 0.513 123 D N 0.390 120.845 120.400 0.093 0.000 2.133 123 D HA -0.268 4.372 4.640 -0.001 0.000 0.195 123 D C 1.794 178.192 176.300 0.164 0.000 0.997 123 D CA 1.537 55.598 54.000 0.102 0.000 0.840 123 D CB -0.103 40.725 40.800 0.047 0.000 0.947 123 D HN 0.509 nan 8.370 nan 0.000 0.452 124 L N 0.028 121.342 121.223 0.152 0.000 2.131 124 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 124 L C 2.847 179.844 176.870 0.213 0.000 1.092 124 L CA 0.986 55.919 54.840 0.156 0.000 0.759 124 L CB -0.689 41.399 42.059 0.047 0.000 0.903 124 L HN 0.138 nan 8.230 nan 0.000 0.435 125 H N 0.080 119.220 119.070 0.117 0.000 2.293 125 H HA -0.140 4.416 4.556 -0.001 0.000 0.300 125 H C 2.458 177.849 175.328 0.106 0.000 1.082 125 H CA 1.895 58.007 56.048 0.107 0.000 1.308 125 H CB 0.035 29.835 29.762 0.063 0.000 1.375 125 H HN 0.325 nan 8.280 nan 0.000 0.495 126 I N 0.342 121.059 120.570 0.245 0.000 2.179 126 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 126 I C 2.572 178.778 176.117 0.149 0.000 1.088 126 I CA 1.149 62.544 61.300 0.159 0.000 1.357 126 I CB -0.398 37.680 38.000 0.130 0.000 1.051 126 I HN 0.081 nan 8.210 nan 0.000 0.409 127 F N 1.965 121.944 119.950 0.049 0.000 2.120 127 F HA -0.192 4.334 4.527 -0.000 0.000 0.300 127 F C 2.245 178.059 175.800 0.023 0.000 1.095 127 F CA 1.803 59.820 58.000 0.028 0.000 1.249 127 F CB -0.810 38.200 39.000 0.018 0.000 0.995 127 F HN -0.008 nan 8.300 nan 0.000 0.480 128 G N 0.837 109.644 108.800 0.011 0.000 2.404 128 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.215 128 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.215 128 G C 1.770 176.593 174.900 -0.128 0.000 1.174 128 G CA 1.027 46.060 45.100 -0.111 0.000 0.780 128 G HN 0.446 nan 8.290 nan 0.000 0.537 129 L N 0.087 121.289 121.223 -0.034 0.000 2.046 129 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 129 L C 2.892 179.723 176.870 -0.066 0.000 1.077 129 L CA 1.263 56.090 54.840 -0.021 0.000 0.747 129 L CB -0.462 41.617 42.059 0.034 0.000 0.896 129 L HN 0.304 nan 8.230 nan 0.000 0.432 130 E N -0.012 120.132 120.200 -0.093 0.000 2.085 130 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 130 E C 2.133 178.632 176.600 -0.168 0.000 0.994 130 E CA 0.917 57.252 56.400 -0.108 0.000 0.801 130 E CB 0.064 29.708 29.700 -0.093 0.000 0.743 130 E HN 0.305 nan 8.360 nan 0.000 0.453 131 K N 0.404 120.625 120.400 -0.298 0.000 2.209 131 K HA -0.085 4.235 4.320 -0.001 0.000 0.204 131 K C 1.873 178.381 176.600 -0.153 0.000 1.048 131 K CA 0.687 56.800 56.287 -0.290 0.000 0.940 131 K CB -0.027 32.195 32.500 -0.464 0.000 0.729 131 K HN 0.245 nan 8.250 nan 0.000 0.451 132 L N -0.329 120.823 121.223 -0.119 0.000 2.591 132 L HA 0.058 4.398 4.340 -0.001 0.000 0.228 132 L C 1.152 177.991 176.870 -0.052 0.000 1.133 132 L CA 0.442 55.241 54.840 -0.068 0.000 0.880 132 L CB -0.030 42.000 42.059 -0.049 0.000 1.033 132 L HN 0.378 nan 8.230 nan 0.000 0.450 133 G N -0.436 108.329 108.800 -0.059 0.000 2.201 133 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.212 133 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.212 133 G C 0.396 175.278 174.900 -0.030 0.000 0.994 133 G CA -0.135 44.941 45.100 -0.041 0.000 0.644 133 G HN 0.430 nan 8.290 nan 0.000 0.508 134 A N 0.154 122.957 122.820 -0.028 0.000 2.407 134 A HA 0.630 4.949 4.320 -0.001 0.000 0.248 134 A C 0.327 177.906 177.584 -0.008 0.000 1.082 134 A CA 0.689 52.719 52.037 -0.011 0.000 0.785 134 A CB 0.517 19.518 19.000 0.001 0.000 1.020 134 A HN 0.605 nan 8.150 nan 0.000 0.489 135 E N 1.191 121.391 120.200 0.001 0.000 2.133 135 E HA 0.506 4.855 4.350 -0.001 0.000 0.274 135 E C -1.485 175.126 176.600 0.018 0.000 0.930 135 E CA -0.483 55.921 56.400 0.006 0.000 0.770 135 E CB 0.632 30.335 29.700 0.005 0.000 1.104 135 E HN 0.472 nan 8.360 nan 0.000 0.403 136 I N 4.006 124.590 120.570 0.025 0.000 2.493 136 I HA 0.377 4.547 4.170 -0.001 0.000 0.298 136 I C -0.619 175.521 176.117 0.038 0.000 0.998 136 I CA -0.518 60.804 61.300 0.037 0.000 1.137 136 I CB 1.815 39.842 38.000 0.045 0.000 1.310 136 I HN 0.392 nan 8.210 nan 0.000 0.445 137 K N 4.860 125.287 120.400 0.045 0.000 2.468 137 K HA 0.559 4.879 4.320 -0.001 0.000 0.252 137 K C -1.629 175.006 176.600 0.058 0.000 0.932 137 K CA -0.543 55.771 56.287 0.045 0.000 0.794 137 K CB 2.045 34.568 32.500 0.038 0.000 1.241 137 K HN 0.350 nan 8.250 nan 0.000 0.428 138 L N 4.299 125.555 121.223 0.055 0.000 2.265 138 L HA 0.487 4.827 4.340 -0.001 0.000 0.289 138 L C -1.054 175.859 176.870 0.071 0.000 1.033 138 L CA 0.056 54.935 54.840 0.066 0.000 0.814 138 L CB 0.558 42.647 42.059 0.050 0.000 1.203 138 L HN 0.875 nan 8.230 nan 0.000 0.423 139 E N 3.951 124.212 120.200 0.102 0.000 2.304 139 E HA 0.343 4.693 4.350 -0.001 0.000 0.277 139 E C -0.813 175.877 176.600 0.150 0.000 0.898 139 E CA -0.629 55.827 56.400 0.094 0.000 0.764 139 E CB 1.215 30.952 29.700 0.061 0.000 1.216 139 E HN 0.619 nan 8.360 nan 0.000 0.419 140 E N 1.525 121.799 120.200 0.125 0.000 2.637 140 E HA -0.295 4.055 4.350 -0.001 0.000 0.265 140 E C 0.677 177.445 176.600 0.280 0.000 1.073 140 E CA 0.557 57.056 56.400 0.164 0.000 0.778 140 E CB -1.922 27.858 29.700 0.135 0.000 1.362 140 E HN 1.292 nan 8.360 nan 0.000 0.413 141 G N -0.741 108.157 108.800 0.163 0.000 2.162 141 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.260 141 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.260 141 G C -0.270 174.609 174.900 -0.035 0.000 0.976 141 G CA 0.692 45.831 45.100 0.065 0.000 0.655 141 G HN 0.319 nan 8.290 nan 0.000 0.533 142 Y N -0.858 119.470 120.300 0.048 0.000 2.335 142 Y HA 0.535 5.084 4.550 -0.001 0.000 0.338 142 Y C 0.460 176.382 175.900 0.037 0.000 0.977 142 Y CA -0.935 57.194 58.100 0.049 0.000 1.114 142 Y CB 2.146 40.635 38.460 0.050 0.000 1.182 142 Y HN 0.195 nan 8.280 nan 0.000 0.463 143 V N 6.193 126.179 119.914 0.121 0.000 2.370 143 V HA 0.271 4.391 4.120 -0.001 0.000 0.257 143 V C -0.572 175.593 176.094 0.119 0.000 1.064 143 V CA -0.461 61.893 62.300 0.091 0.000 0.975 143 V CB -0.339 31.509 31.823 0.041 0.000 1.067 143 V HN 0.665 nan 8.190 nan 0.000 0.485 144 K N 6.389 126.858 120.400 0.114 0.000 2.234 144 K HA 0.748 5.068 4.320 -0.001 0.000 0.277 144 K C -0.260 176.382 176.600 0.070 0.000 1.038 144 K CA -0.151 56.196 56.287 0.100 0.000 0.888 144 K CB 1.835 34.387 32.500 0.087 0.000 1.091 144 K HN 0.766 nan 8.250 nan 0.000 0.467 145 A N 1.948 124.808 122.820 0.067 0.000 2.355 145 A HA 0.734 5.053 4.320 -0.001 0.000 0.324 145 A C -0.604 176.999 177.584 0.032 0.000 1.117 145 A CA -0.607 51.459 52.037 0.049 0.000 0.785 145 A CB 1.235 20.269 19.000 0.057 0.000 1.254 145 A HN 0.713 nan 8.150 nan 0.000 0.453 146 S N -0.242 115.468 115.700 0.017 0.000 2.596 146 S HA 0.794 5.263 4.470 -0.001 0.000 0.270 146 S C -1.317 173.280 174.600 -0.005 0.000 1.155 146 S CA -0.423 57.776 58.200 -0.001 0.000 0.827 146 S CB 1.331 64.528 63.200 -0.004 0.000 1.130 146 S HN 2.173 nan 8.310 nan 0.000 0.467 147 V N 0.891 120.797 119.914 -0.015 0.000 2.924 147 V HA 0.540 4.660 4.120 -0.001 0.000 0.300 147 V C -1.914 174.168 176.094 -0.022 0.000 1.227 147 V CA -0.716 61.574 62.300 -0.017 0.000 0.954 147 V CB 2.124 33.937 31.823 -0.017 0.000 1.055 147 V HN 1.024 nan 8.190 nan 0.000 0.429 148 N N 4.704 123.393 118.700 -0.019 0.000 2.448 148 N HA 0.633 5.372 4.740 -0.001 0.000 0.250 148 N C 0.399 175.896 175.510 -0.022 0.000 1.136 148 N CA 1.343 54.382 53.050 -0.019 0.000 0.953 148 N CB 1.061 39.539 38.487 -0.014 0.000 1.251 148 N HN 1.392 nan 8.380 nan 0.000 0.502 149 G N 1.528 110.313 108.800 -0.026 0.000 2.527 149 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.227 149 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.227 149 G C -0.560 174.319 174.900 -0.035 0.000 1.291 149 G CA -0.791 44.291 45.100 -0.030 0.000 0.904 149 G HN 0.513 nan 8.290 nan 0.000 0.577 150 R N -0.422 120.056 120.500 -0.036 0.000 2.531 150 R HA 0.534 4.874 4.340 -0.001 0.000 0.273 150 R C 0.779 177.060 176.300 -0.033 0.000 1.070 150 R CA -0.571 55.505 56.100 -0.040 0.000 1.112 150 R CB 0.499 30.774 30.300 -0.042 0.000 1.049 150 R HN 0.463 nan 8.270 nan 0.000 0.508 151 L N 1.875 123.079 121.223 -0.032 0.000 2.476 151 L HA 0.147 4.486 4.340 -0.001 0.000 0.264 151 L C 0.528 177.381 176.870 -0.029 0.000 1.224 151 L CA 0.311 55.134 54.840 -0.028 0.000 0.821 151 L CB 0.200 42.244 42.059 -0.025 0.000 1.101 151 L HN 0.336 nan 8.230 nan 0.000 0.488 152 K N 0.716 121.098 120.400 -0.029 0.000 2.274 152 K HA 0.360 4.680 4.320 -0.001 0.000 0.262 152 K C -0.027 176.556 176.600 -0.028 0.000 0.961 152 K CA -0.609 55.661 56.287 -0.028 0.000 0.833 152 K CB 1.699 34.184 32.500 -0.026 0.000 1.102 152 K HN 0.741 nan 8.250 nan 0.000 0.436 153 G N 1.291 110.075 108.800 -0.025 0.000 2.474 153 G HA2 0.352 4.312 3.960 -0.001 0.000 0.233 153 G HA3 0.352 4.312 3.960 -0.001 0.000 0.233 153 G C -0.584 174.306 174.900 -0.016 0.000 1.278 153 G CA -0.127 44.959 45.100 -0.023 0.000 0.861 153 G HN 0.637 nan 8.290 nan 0.000 0.567 154 A N 1.105 123.922 122.820 -0.006 0.000 2.609 154 A HA 0.646 4.966 4.320 -0.001 0.000 0.291 154 A C -0.946 176.684 177.584 0.077 0.000 1.096 154 A CA -0.709 51.339 52.037 0.018 0.000 0.684 154 A CB 1.052 20.043 19.000 -0.015 0.000 1.282 154 A HN 0.950 nan 8.150 nan 0.000 0.412 155 H N 1.034 120.092 119.070 -0.020 0.000 2.690 155 H HA 0.597 5.153 4.556 -0.001 0.000 0.289 155 H C -0.996 174.336 175.328 0.007 0.000 1.089 155 H CA -0.433 55.613 56.048 -0.004 0.000 1.299 155 H CB 0.184 29.948 29.762 0.003 0.000 1.405 155 H HN 0.470 nan 8.280 nan 0.000 0.463 156 I N 6.253 126.917 120.570 0.156 0.000 2.362 156 I HA 0.167 4.337 4.170 -0.001 0.000 0.289 156 I C -0.499 175.669 176.117 0.086 0.000 0.994 156 I CA -0.984 60.365 61.300 0.082 0.000 1.158 156 I CB 1.820 39.860 38.000 0.066 0.000 1.315 156 I HN 0.284 nan 8.210 nan 0.000 0.451 157 V N 6.593 126.551 119.914 0.072 0.000 2.350 157 V HA 0.336 4.456 4.120 -0.001 0.000 0.276 157 V C 0.429 176.569 176.094 0.076 0.000 1.028 157 V CA -0.623 61.693 62.300 0.027 0.000 0.860 157 V CB 1.311 33.099 31.823 -0.058 0.000 0.990 157 V HN 0.612 nan 8.190 nan 0.000 0.453 158 M N 4.501 124.129 119.600 0.047 0.000 2.188 158 M HA 0.227 4.706 4.480 -0.001 0.000 0.354 158 M C 0.257 176.515 176.300 -0.069 0.000 1.342 158 M CA -0.224 55.077 55.300 0.001 0.000 1.117 158 M CB 0.521 33.128 32.600 0.012 0.000 1.670 158 M HN 0.803 nan 8.290 nan 0.000 0.466 159 D N 2.013 122.324 120.400 -0.149 0.000 2.894 159 D HA 0.343 4.983 4.640 -0.001 0.000 0.248 159 D C -0.210 176.022 176.300 -0.114 0.000 1.291 159 D CA -0.358 53.561 54.000 -0.136 0.000 0.840 159 D CB 0.298 40.989 40.800 -0.183 0.000 1.044 159 D HN 0.589 nan 8.370 nan 0.000 0.484 160 K N -0.266 120.083 120.400 -0.085 0.000 2.806 160 K HA 0.115 4.434 4.320 -0.001 0.000 0.293 160 K C -1.904 174.664 176.600 -0.054 0.000 1.135 160 K CA -0.656 55.588 56.287 -0.073 0.000 0.960 160 K CB 1.002 33.453 32.500 -0.083 0.000 1.374 160 K HN -0.076 nan 8.250 nan 0.000 0.400 161 V N 2.993 122.879 119.914 -0.047 0.000 2.427 161 V HA 0.312 4.432 4.120 -0.001 0.000 0.268 161 V C 0.001 176.076 176.094 -0.031 0.000 1.046 161 V CA 0.055 62.337 62.300 -0.030 0.000 0.970 161 V CB 0.954 32.764 31.823 -0.022 0.000 1.001 161 V HN 0.620 nan 8.190 nan 0.000 0.476 162 S N 4.184 119.876 115.700 -0.014 0.000 2.647 162 S HA 0.425 4.895 4.470 -0.001 0.000 0.300 162 S C 0.531 175.152 174.600 0.035 0.000 1.129 162 S CA -0.626 57.575 58.200 0.002 0.000 1.029 162 S CB 1.920 65.115 63.200 -0.009 0.000 1.007 162 S HN 0.311 nan 8.310 nan 0.000 0.484 163 V N 5.415 125.378 119.914 0.081 0.000 2.270 163 V HA 0.007 4.126 4.120 -0.001 0.000 0.245 163 V C 2.689 178.919 176.094 0.226 0.000 1.043 163 V CA 2.522 64.902 62.300 0.132 0.000 1.014 163 V CB -1.287 30.635 31.823 0.166 0.000 0.645 163 V HN 0.961 nan 8.190 nan 0.000 0.447 164 G N -0.313 108.677 108.800 0.317 0.000 2.459 164 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 164 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 164 G C 1.784 176.795 174.900 0.185 0.000 1.183 164 G CA 1.181 46.615 45.100 0.557 0.000 0.776 164 G HN 0.615 nan 8.290 nan 0.000 0.552 165 A N 0.075 122.673 122.820 -0.369 0.000 1.933 165 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 165 A C 2.527 180.001 177.584 -0.183 0.000 1.175 165 A CA 2.489 54.136 52.037 -0.650 0.000 0.628 165 A CB -0.964 17.813 19.000 -0.372 0.000 0.814 165 A HN 0.315 nan 8.150 nan 0.000 0.444 166 T N -0.352 114.171 114.554 -0.053 0.000 2.746 166 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 166 T C 1.880 176.572 174.700 -0.013 0.000 1.039 166 T CA 1.579 63.672 62.100 -0.012 0.000 1.142 166 T CB -0.418 68.455 68.868 0.008 0.000 0.866 166 T HN 0.170 nan 8.240 nan 0.000 0.444 167 V N 1.400 121.317 119.914 0.004 0.000 2.261 167 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 167 V C 2.802 178.864 176.094 -0.054 0.000 1.047 167 V CA 2.067 64.310 62.300 -0.094 0.000 1.015 167 V CB -1.177 30.459 31.823 -0.311 0.000 0.642 167 V HN 0.506 nan 8.190 nan 0.000 0.446 168 T N 0.416 115.025 114.554 0.091 0.000 2.635 168 T HA -0.192 4.158 4.350 -0.001 0.000 0.267 168 T C 1.789 176.528 174.700 0.066 0.000 1.040 168 T CA 2.146 64.342 62.100 0.160 0.000 1.156 168 T CB -0.325 68.719 68.868 0.294 0.000 0.863 168 T HN 0.346 nan 8.240 nan 0.000 0.430 169 I N 0.658 121.243 120.570 0.025 0.000 2.179 169 I HA -0.179 3.991 4.170 -0.001 0.000 0.242 169 I C 2.614 178.732 176.117 0.002 0.000 1.088 169 I CA 1.365 62.672 61.300 0.013 0.000 1.357 169 I CB -0.414 37.590 38.000 0.008 0.000 1.051 169 I HN 0.257 nan 8.210 nan 0.000 0.409 170 M N 0.374 119.969 119.600 -0.010 0.000 2.108 170 M HA -0.223 4.256 4.480 -0.001 0.000 0.261 170 M C 2.418 178.703 176.300 -0.025 0.000 1.066 170 M CA 1.893 57.181 55.300 -0.021 0.000 1.107 170 M CB -0.020 32.561 32.600 -0.032 0.000 1.356 170 M HN 0.130 nan 8.290 nan 0.000 0.406 171 S N 0.700 116.385 115.700 -0.024 0.000 2.345 171 S HA -0.061 4.409 4.470 -0.001 0.000 0.220 171 S C 2.028 176.629 174.600 0.003 0.000 1.031 171 S CA 1.332 59.524 58.200 -0.013 0.000 0.996 171 S CB -0.552 62.645 63.200 -0.005 0.000 0.882 171 S HN 0.697 nan 8.310 nan 0.000 0.445 172 A N 1.458 124.289 122.820 0.019 0.000 1.972 172 A HA 0.108 4.427 4.320 -0.001 0.000 0.219 172 A C 2.284 179.865 177.584 -0.005 0.000 1.169 172 A CA 1.652 53.701 52.037 0.019 0.000 0.635 172 A CB -0.950 18.070 19.000 0.032 0.000 0.810 172 A HN 0.516 nan 8.150 nan 0.000 0.446 173 A N -0.122 122.691 122.820 -0.011 0.000 2.067 173 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 173 A C 2.333 179.899 177.584 -0.030 0.000 1.158 173 A CA 2.208 54.232 52.037 -0.021 0.000 0.661 173 A CB -1.340 17.648 19.000 -0.019 0.000 0.801 173 A HN 0.800 nan 8.150 nan 0.000 0.452 174 T N -1.865 112.668 114.554 -0.035 0.000 2.849 174 T HA -0.051 4.299 4.350 -0.001 0.000 0.270 174 T C 1.315 175.985 174.700 -0.050 0.000 1.066 174 T CA 1.478 63.549 62.100 -0.048 0.000 1.130 174 T CB -0.365 68.467 68.868 -0.060 0.000 0.864 174 T HN 0.325 nan 8.240 nan 0.000 0.481 175 L N 0.616 121.811 121.223 -0.046 0.000 2.769 175 L HA 0.537 4.877 4.340 -0.001 0.000 0.240 175 L C 1.297 178.138 176.870 -0.048 0.000 1.163 175 L CA -0.580 54.228 54.840 -0.054 0.000 0.962 175 L CB -0.312 41.708 42.059 -0.065 0.000 1.258 175 L HN 0.309 nan 8.230 nan 0.000 0.513 176 A N 0.278 123.074 122.820 -0.040 0.000 2.287 176 A HA 0.236 4.556 4.320 -0.001 0.000 0.273 176 A C 0.104 177.666 177.584 -0.036 0.000 1.091 176 A CA -0.248 51.767 52.037 -0.036 0.000 0.817 176 A CB 0.420 19.402 19.000 -0.030 0.000 1.069 176 A HN 0.255 nan 8.150 nan 0.000 0.492 177 E N -0.001 120.179 120.200 -0.033 0.000 2.044 177 E HA 0.465 4.814 4.350 -0.001 0.000 0.282 177 E C 0.489 177.071 176.600 -0.028 0.000 1.031 177 E CA 0.769 57.151 56.400 -0.031 0.000 0.824 177 E CB 0.178 29.861 29.700 -0.029 0.000 1.076 177 E HN 1.322 nan 8.360 nan 0.000 0.395 178 G N 2.684 111.467 108.800 -0.029 0.000 2.447 178 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.220 178 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.220 178 G C -0.567 174.314 174.900 -0.031 0.000 1.261 178 G CA -0.604 44.479 45.100 -0.029 0.000 1.000 178 G HN 0.457 nan 8.290 nan 0.000 0.515 179 T N 1.088 115.622 114.554 -0.033 0.000 2.824 179 T HA 0.709 5.058 4.350 -0.001 0.000 0.280 179 T C -0.013 174.665 174.700 -0.036 0.000 0.995 179 T CA 0.219 62.297 62.100 -0.038 0.000 1.009 179 T CB 1.550 70.389 68.868 -0.047 0.000 0.955 179 T HN 0.739 nan 8.240 nan 0.000 0.452 180 T N 3.431 117.965 114.554 -0.032 0.000 2.856 180 T HA 0.664 5.014 4.350 -0.001 0.000 0.283 180 T C -0.410 174.279 174.700 -0.019 0.000 1.008 180 T CA -0.523 61.566 62.100 -0.018 0.000 0.997 180 T CB 0.723 69.584 68.868 -0.011 0.000 0.992 180 T HN 0.410 nan 8.240 nan 0.000 0.454 181 I N 3.189 123.764 120.570 0.009 0.000 2.478 181 I HA 0.429 4.599 4.170 -0.001 0.000 0.287 181 I C -0.738 175.458 176.117 0.132 0.000 1.042 181 I CA -0.749 60.564 61.300 0.022 0.000 1.067 181 I CB 1.796 39.721 38.000 -0.125 0.000 1.233 181 I HN 0.467 nan 8.210 nan 0.000 0.431 182 I N 5.922 126.544 120.570 0.088 0.000 2.307 182 I HA 0.257 4.426 4.170 -0.001 0.000 0.289 182 I C 0.085 176.259 176.117 0.095 0.000 1.021 182 I CA -0.584 60.771 61.300 0.092 0.000 1.224 182 I CB 0.816 38.847 38.000 0.051 0.000 1.376 182 I HN 0.433 nan 8.210 nan 0.000 0.470 183 E N 4.979 125.245 120.200 0.110 0.000 2.301 183 E HA 0.107 4.456 4.350 -0.001 0.000 0.275 183 E C 0.184 176.810 176.600 0.044 0.000 1.030 183 E CA -0.311 56.138 56.400 0.082 0.000 0.852 183 E CB 1.007 30.741 29.700 0.058 0.000 1.060 183 E HN 0.552 nan 8.360 nan 0.000 0.401 184 N N 0.596 119.315 118.700 0.032 0.000 2.758 184 N HA -0.222 4.518 4.740 -0.001 0.000 0.248 184 N C -1.145 174.375 175.510 0.017 0.000 1.076 184 N CA 0.794 53.853 53.050 0.016 0.000 0.696 184 N CB -0.838 37.650 38.487 0.001 0.000 0.979 184 N HN 0.569 nan 8.380 nan 0.000 0.550 185 A N -0.070 122.765 122.820 0.025 0.000 2.366 185 A HA 0.712 5.032 4.320 -0.001 0.000 0.249 185 A C 0.896 178.493 177.584 0.022 0.000 1.084 185 A CA 0.126 52.177 52.037 0.023 0.000 0.794 185 A CB 0.368 19.382 19.000 0.024 0.000 1.034 185 A HN 0.872 nan 8.150 nan 0.000 0.491 186 A N 0.669 123.502 122.820 0.023 0.000 2.425 186 A HA 0.485 4.805 4.320 -0.001 0.000 0.249 186 A C 0.698 178.306 177.584 0.040 0.000 1.084 186 A CA -0.271 51.785 52.037 0.032 0.000 0.781 186 A CB 0.027 19.049 19.000 0.036 0.000 1.019 186 A HN 0.761 nan 8.150 nan 0.000 0.490 187 R N 0.623 121.163 120.500 0.066 0.000 2.393 187 R HA 0.176 4.516 4.340 -0.001 0.000 0.244 187 R C -0.415 175.952 176.300 0.111 0.000 0.920 187 R CA -0.077 56.078 56.100 0.092 0.000 1.076 187 R CB 0.032 30.398 30.300 0.111 0.000 1.119 187 R HN 0.770 nan 8.270 nan 0.000 0.524 188 E N 1.188 121.412 120.200 0.041 0.000 2.481 188 E HA -0.039 4.310 4.350 -0.001 0.000 0.263 188 E C -1.601 174.891 176.600 -0.179 0.000 0.992 188 E CA -1.087 55.230 56.400 -0.137 0.000 0.938 188 E CB 0.442 30.096 29.700 -0.076 0.000 0.933 188 E HN -0.068 nan 8.360 nan 0.000 0.453 189 P HA -0.205 nan 4.420 nan 0.000 0.217 189 P C 0.329 177.572 177.300 -0.096 0.000 1.148 189 P CA 1.277 64.264 63.100 -0.188 0.000 0.834 189 P CB 0.280 31.839 31.700 -0.234 0.000 0.783 190 E N -1.092 119.050 120.200 -0.097 0.000 2.150 190 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 190 E C 1.950 178.512 176.600 -0.063 0.000 0.985 190 E CA 0.787 57.150 56.400 -0.061 0.000 0.814 190 E CB -0.819 28.855 29.700 -0.044 0.000 0.752 190 E HN 0.212 nan 8.360 nan 0.000 0.466 191 I N 0.178 120.715 120.570 -0.055 0.000 2.252 191 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 191 I C 2.105 178.198 176.117 -0.039 0.000 1.102 191 I CA 0.903 62.174 61.300 -0.048 0.000 1.385 191 I CB -0.941 37.045 38.000 -0.023 0.000 1.064 191 I HN 0.023 nan 8.210 nan 0.000 0.414 192 V N 1.009 120.908 119.914 -0.024 0.000 2.295 192 V HA -0.294 3.825 4.120 -0.001 0.000 0.246 192 V C 2.272 178.372 176.094 0.010 0.000 1.049 192 V CA 2.158 64.456 62.300 -0.003 0.000 1.024 192 V CB -0.697 31.132 31.823 0.010 0.000 0.648 192 V HN 0.305 nan 8.190 nan 0.000 0.447 193 D N -0.238 120.172 120.400 0.017 0.000 2.117 193 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 193 D C 2.274 178.539 176.300 -0.059 0.000 0.987 193 D CA 1.760 55.799 54.000 0.065 0.000 0.829 193 D CB -0.129 40.720 40.800 0.083 0.000 0.961 193 D HN 0.400 nan 8.370 nan 0.000 0.460 194 T N -0.322 114.181 114.554 -0.086 0.000 2.777 194 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 194 T C 1.922 176.578 174.700 -0.074 0.000 1.040 194 T CA 1.302 63.338 62.100 -0.107 0.000 1.141 194 T CB -0.417 68.363 68.868 -0.146 0.000 0.868 194 T HN 0.207 nan 8.240 nan 0.000 0.444 195 A N 2.733 125.511 122.820 -0.070 0.000 1.865 195 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 195 A C 2.233 179.765 177.584 -0.087 0.000 1.191 195 A CA 1.618 53.616 52.037 -0.065 0.000 0.623 195 A CB -0.686 18.290 19.000 -0.040 0.000 0.826 195 A HN 0.399 nan 8.150 nan 0.000 0.444 196 N N -1.028 117.628 118.700 -0.072 0.000 2.289 196 N HA -0.126 4.614 4.740 -0.001 0.000 0.184 196 N C 1.359 176.724 175.510 -0.242 0.000 1.016 196 N CA 1.405 54.423 53.050 -0.054 0.000 0.872 196 N CB -0.592 37.972 38.487 0.129 0.000 0.973 196 N HN 0.570 nan 8.380 nan 0.000 0.433 197 F N 1.813 121.338 119.950 -0.709 0.000 2.113 197 F HA -0.013 4.513 4.527 -0.001 0.000 0.297 197 F C 2.007 177.593 175.800 -0.356 0.000 1.103 197 F CA 0.965 58.440 58.000 -0.875 0.000 1.248 197 F CB -0.552 37.938 39.000 -0.851 0.000 0.999 197 F HN -0.105 nan 8.300 nan 0.000 0.475 198 L N -0.344 120.621 121.223 -0.429 0.000 2.042 198 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 198 L C 2.424 179.103 176.870 -0.319 0.000 1.076 198 L CA 1.253 55.847 54.840 -0.410 0.000 0.749 198 L CB -1.016 40.931 42.059 -0.187 0.000 0.893 198 L HN 0.034 nan 8.230 nan 0.000 0.432 199 V N 0.081 119.867 119.914 -0.213 0.000 2.469 199 V HA -0.299 3.820 4.120 -0.001 0.000 0.251 199 V C 2.703 178.712 176.094 -0.141 0.000 1.064 199 V CA 1.758 63.976 62.300 -0.137 0.000 1.066 199 V CB -0.862 30.916 31.823 -0.075 0.000 0.667 199 V HN 0.503 nan 8.190 nan 0.000 0.461 200 A N -0.498 122.215 122.820 -0.179 0.000 2.015 200 A HA -0.061 4.259 4.320 -0.001 0.000 0.219 200 A C 2.071 179.547 177.584 -0.180 0.000 1.163 200 A CA 1.298 53.264 52.037 -0.119 0.000 0.646 200 A CB -0.399 18.585 19.000 -0.027 0.000 0.806 200 A HN 0.535 nan 8.150 nan 0.000 0.448 201 L N -1.682 119.348 121.223 -0.321 0.000 2.554 201 L HA 0.172 4.512 4.340 -0.001 0.000 0.226 201 L C 1.684 178.452 176.870 -0.170 0.000 1.137 201 L CA 0.656 55.329 54.840 -0.278 0.000 0.863 201 L CB -0.063 41.748 42.059 -0.412 0.000 0.985 201 L HN 0.595 nan 8.230 nan 0.000 0.451 202 G N -0.690 108.022 108.800 -0.146 0.000 2.229 202 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.189 202 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.189 202 G C 0.401 175.244 174.900 -0.095 0.000 1.000 202 G CA -0.179 44.862 45.100 -0.099 0.000 0.663 202 G HN 0.404 nan 8.290 nan 0.000 0.493 203 A N 0.232 122.980 122.820 -0.120 0.000 2.406 203 A HA 0.612 4.931 4.320 -0.001 0.000 0.243 203 A C 0.449 177.987 177.584 -0.078 0.000 1.082 203 A CA 0.548 52.525 52.037 -0.100 0.000 0.786 203 A CB 0.284 19.213 19.000 -0.118 0.000 1.029 203 A HN 0.376 nan 8.150 nan 0.000 0.495 204 K N 1.343 121.705 120.400 -0.062 0.000 2.404 204 K HA 0.576 4.896 4.320 -0.001 0.000 0.257 204 K C -1.367 175.206 176.600 -0.045 0.000 1.026 204 K CA 0.294 56.551 56.287 -0.049 0.000 0.951 204 K CB 0.940 33.415 32.500 -0.042 0.000 1.203 204 K HN 0.590 nan 8.250 nan 0.000 0.446 205 I N 1.297 121.841 120.570 -0.043 0.000 2.647 205 I HA 0.338 4.508 4.170 -0.001 0.000 0.295 205 I C -0.380 175.720 176.117 -0.027 0.000 1.078 205 I CA -0.776 60.502 61.300 -0.037 0.000 1.048 205 I CB 2.368 40.343 38.000 -0.043 0.000 1.239 205 I HN 0.553 nan 8.210 nan 0.000 0.421 206 S N 2.030 117.717 115.700 -0.022 0.000 2.556 206 S HA 0.812 5.282 4.470 -0.001 0.000 0.271 206 S C 0.145 174.738 174.600 -0.010 0.000 1.135 206 S CA 0.018 58.210 58.200 -0.015 0.000 0.858 206 S CB 2.016 65.207 63.200 -0.016 0.000 1.114 206 S HN 1.401 nan 8.310 nan 0.000 0.468 207 G N 0.836 109.634 108.800 -0.004 0.000 2.213 207 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.236 207 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.236 207 G C 0.146 175.049 174.900 0.005 0.000 0.991 207 G CA 0.110 45.211 45.100 0.001 0.000 0.629 207 G HN 1.348 nan 8.290 nan 0.000 0.517 208 Q N 0.517 120.318 119.800 0.002 0.000 2.283 208 Q HA 0.367 4.706 4.340 -0.001 0.000 0.301 208 Q C 1.178 177.187 176.000 0.014 0.000 1.063 208 Q CA 1.238 57.044 55.803 0.004 0.000 0.952 208 Q CB 0.803 29.539 28.738 -0.003 0.000 1.166 208 Q HN 1.892 nan 8.270 nan 0.000 0.381 209 G N 2.230 111.043 108.800 0.022 0.000 2.213 209 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.226 209 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.226 209 G C 0.251 175.175 174.900 0.041 0.000 0.992 209 G CA 0.303 45.427 45.100 0.039 0.000 0.632 209 G HN 1.156 nan 8.290 nan 0.000 0.511 210 T N -1.581 112.990 114.554 0.028 0.000 2.919 210 T HA 0.563 4.913 4.350 -0.001 0.000 0.282 210 T C 0.692 175.407 174.700 0.024 0.000 1.020 210 T CA 0.579 62.693 62.100 0.024 0.000 0.994 210 T CB 1.682 70.561 68.868 0.017 0.000 1.180 210 T HN 0.186 nan 8.240 nan 0.000 0.566 211 D N -1.077 119.336 120.400 0.022 0.000 2.328 211 D HA 0.115 4.755 4.640 -0.001 0.000 0.226 211 D C 0.567 176.884 176.300 0.029 0.000 1.066 211 D CA -0.240 53.774 54.000 0.023 0.000 0.861 211 D CB -0.136 40.675 40.800 0.018 0.000 0.912 211 D HN 0.587 nan 8.370 nan 0.000 0.521 212 R N 0.749 121.266 120.500 0.028 0.000 2.500 212 R HA 0.456 4.796 4.340 -0.001 0.000 0.299 212 R C -1.701 174.612 176.300 0.021 0.000 1.038 212 R CA -0.525 55.595 56.100 0.034 0.000 0.903 212 R CB 0.516 30.836 30.300 0.035 0.000 1.177 212 R HN 0.014 nan 8.270 nan 0.000 0.455 213 I N 3.671 124.254 120.570 0.021 0.000 2.377 213 I HA 0.348 4.518 4.170 -0.001 0.000 0.293 213 I C -0.337 175.780 176.117 0.000 0.000 0.987 213 I CA -0.831 60.473 61.300 0.007 0.000 1.185 213 I CB 2.399 40.402 38.000 0.005 0.000 1.341 213 I HN 0.607 nan 8.210 nan 0.000 0.455 214 T N 7.089 121.635 114.554 -0.013 0.000 2.779 214 T HA 0.638 4.988 4.350 -0.001 0.000 0.280 214 T C -0.394 174.289 174.700 -0.027 0.000 0.987 214 T CA -0.313 61.772 62.100 -0.025 0.000 0.966 214 T CB 1.057 69.904 68.868 -0.035 0.000 0.933 214 T HN 0.171 nan 8.240 nan 0.000 0.442 215 I N 2.469 123.022 120.570 -0.029 0.000 2.436 215 I HA 0.363 4.533 4.170 -0.001 0.000 0.289 215 I C 0.145 176.241 176.117 -0.035 0.000 1.010 215 I CA -0.575 60.706 61.300 -0.032 0.000 1.098 215 I CB 1.982 39.964 38.000 -0.030 0.000 1.266 215 I HN 0.545 nan 8.210 nan 0.000 0.434 216 E N 4.753 124.930 120.200 -0.037 0.000 2.102 216 E HA 0.511 4.861 4.350 -0.001 0.000 0.263 216 E C 0.152 176.729 176.600 -0.039 0.000 0.894 216 E CA -0.616 55.761 56.400 -0.037 0.000 0.746 216 E CB 1.110 30.789 29.700 -0.036 0.000 1.129 216 E HN 0.850 nan 8.360 nan 0.000 0.416 217 G N 2.299 111.076 108.800 -0.038 0.000 2.647 217 G HA2 0.253 4.213 3.960 -0.001 0.000 0.234 217 G HA3 0.253 4.213 3.960 -0.001 0.000 0.234 217 G C 0.070 174.944 174.900 -0.042 0.000 1.252 217 G CA 0.199 45.274 45.100 -0.041 0.000 0.846 217 G HN 0.454 nan 8.290 nan 0.000 0.589 218 V N -1.464 118.422 119.914 -0.047 0.000 3.160 218 V HA 0.557 4.677 4.120 -0.001 0.000 0.310 218 V C 0.811 176.875 176.094 -0.051 0.000 1.181 218 V CA -0.753 61.518 62.300 -0.047 0.000 1.047 218 V CB 1.862 33.654 31.823 -0.052 0.000 1.068 218 V HN 0.777 nan 8.190 nan 0.000 0.441 219 E N 1.061 121.232 120.200 -0.048 0.000 2.072 219 E HA -0.030 4.319 4.350 -0.001 0.000 0.191 219 E C 0.428 176.990 176.600 -0.063 0.000 0.985 219 E CA 1.744 58.113 56.400 -0.052 0.000 0.801 219 E CB 0.123 29.797 29.700 -0.043 0.000 0.750 219 E HN 0.766 nan 8.360 nan 0.000 0.452 220 R N -0.795 119.668 120.500 -0.061 0.000 2.734 220 R HA 0.537 4.876 4.340 -0.001 0.000 0.271 220 R C -1.367 174.892 176.300 -0.068 0.000 1.021 220 R CA -0.751 55.308 56.100 -0.069 0.000 0.893 220 R CB 0.949 31.212 30.300 -0.062 0.000 1.244 220 R HN -0.152 nan 8.270 nan 0.000 0.464 221 L N 1.100 122.279 121.223 -0.073 0.000 2.334 221 L HA 0.591 4.931 4.340 -0.001 0.000 0.276 221 L C 0.673 177.503 176.870 -0.066 0.000 1.014 221 L CA -0.665 54.125 54.840 -0.084 0.000 0.815 221 L CB 2.019 44.015 42.059 -0.106 0.000 1.268 221 L HN 1.004 nan 8.230 nan 0.000 0.428 222 G N 1.272 110.031 108.800 -0.069 0.000 3.311 222 G HA2 0.596 4.555 3.960 -0.001 0.000 0.169 222 G HA3 0.596 4.555 3.960 -0.001 0.000 0.169 222 G C 0.065 174.944 174.900 -0.035 0.000 1.852 222 G CA 0.434 45.509 45.100 -0.042 0.000 1.010 222 G HN 0.761 nan 8.290 nan 0.000 0.530 223 G N -3.151 105.634 108.800 -0.024 0.000 2.911 223 G HA2 0.709 4.669 3.960 -0.001 0.000 0.299 223 G HA3 0.709 4.669 3.960 -0.001 0.000 0.299 223 G C -0.365 174.538 174.900 0.005 0.000 1.283 223 G CA 0.158 45.261 45.100 0.004 0.000 0.805 223 G HN 1.833 nan 8.290 nan 0.000 0.548 224 G N -2.610 106.225 108.800 0.057 0.000 2.352 224 G HA2 0.506 4.465 3.960 -0.001 0.000 0.283 224 G HA3 0.506 4.465 3.960 -0.001 0.000 0.283 224 G C -2.023 172.951 174.900 0.124 0.000 1.308 224 G CA 0.193 45.337 45.100 0.074 0.000 0.892 224 G HN 1.434 nan 8.290 nan 0.000 0.504 225 V N 0.493 120.486 119.914 0.132 0.000 2.531 225 V HA 0.708 4.827 4.120 -0.001 0.000 0.301 225 V C -1.317 174.895 176.094 0.196 0.000 1.034 225 V CA -0.567 61.810 62.300 0.128 0.000 0.865 225 V CB 1.523 33.387 31.823 0.069 0.000 0.995 225 V HN 0.924 nan 8.190 nan 0.000 0.424 226 Y N 4.297 124.638 120.300 0.069 0.000 2.421 226 Y HA 0.595 5.145 4.550 -0.001 0.000 0.339 226 Y C -0.166 175.720 175.900 -0.023 0.000 0.996 226 Y CA -0.813 57.334 58.100 0.078 0.000 1.046 226 Y CB 1.687 40.309 38.460 0.269 0.000 1.226 226 Y HN 0.610 nan 8.280 nan 0.000 0.445 227 R N 5.512 125.687 120.500 -0.540 0.000 2.229 227 R HA 0.554 4.894 4.340 -0.001 0.000 0.332 227 R C -1.344 174.753 176.300 -0.337 0.000 0.989 227 R CA -0.513 55.380 56.100 -0.344 0.000 0.842 227 R CB 0.778 30.911 30.300 -0.280 0.000 1.119 227 R HN 0.623 nan 8.270 nan 0.000 0.456 228 V N 6.408 126.259 119.914 -0.106 0.000 2.763 228 V HA -0.022 4.098 4.120 -0.001 0.000 0.306 228 V C 1.045 177.112 176.094 -0.045 0.000 1.059 228 V CA -0.059 62.234 62.300 -0.012 0.000 1.138 228 V CB 0.524 32.329 31.823 -0.029 0.000 0.940 228 V HN 0.685 nan 8.190 nan 0.000 0.489 229 L N 4.755 125.976 121.223 -0.004 0.000 2.472 229 L HA 0.534 4.873 4.340 -0.001 0.000 0.260 229 L C -2.384 174.474 176.870 -0.020 0.000 1.209 229 L CA -1.642 53.187 54.840 -0.019 0.000 0.817 229 L CB -0.068 41.991 42.059 0.000 0.000 1.106 229 L HN 0.348 nan 8.230 nan 0.000 0.479 230 P HA -0.014 nan 4.420 nan 0.000 0.269 230 P C -1.132 176.163 177.300 -0.007 0.000 1.209 230 P CA 0.032 63.129 63.100 -0.005 0.000 0.776 230 P CB 0.339 32.042 31.700 0.005 0.000 0.876 231 D N 2.800 123.199 120.400 -0.002 0.000 2.359 231 D HA -0.008 4.632 4.640 -0.001 0.000 0.250 231 D C 1.320 177.620 176.300 -0.001 0.000 1.264 231 D CA -0.082 53.908 54.000 -0.016 0.000 0.911 231 D CB 0.519 41.300 40.800 -0.031 0.000 1.056 231 D HN 0.343 nan 8.370 nan 0.000 0.499 232 R N 3.687 124.178 120.500 -0.015 0.000 2.148 232 R HA -0.112 4.228 4.340 -0.001 0.000 0.227 232 R C 1.350 177.651 176.300 0.002 0.000 1.103 232 R CA 0.551 56.649 56.100 -0.004 0.000 0.983 232 R CB -0.091 30.193 30.300 -0.027 0.000 0.874 232 R HN 0.340 nan 8.270 nan 0.000 0.451 233 I N 1.716 122.272 120.570 -0.025 0.000 2.406 233 I HA -0.110 4.060 4.170 -0.001 0.000 0.249 233 I C 2.484 178.606 176.117 0.007 0.000 1.122 233 I CA 1.111 62.397 61.300 -0.024 0.000 1.431 233 I CB -1.146 36.815 38.000 -0.064 0.000 1.087 233 I HN 0.352 nan 8.210 nan 0.000 0.424 234 E N 0.978 121.170 120.200 -0.013 0.000 2.077 234 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 234 E C 2.031 178.768 176.600 0.227 0.000 0.989 234 E CA 1.962 58.416 56.400 0.090 0.000 0.800 234 E CB 0.186 29.955 29.700 0.115 0.000 0.746 234 E HN 0.383 nan 8.360 nan 0.000 0.452 235 T N -0.156 114.512 114.554 0.189 0.000 2.652 235 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 235 T C 1.760 176.573 174.700 0.188 0.000 1.039 235 T CA 1.358 63.585 62.100 0.212 0.000 1.153 235 T CB -0.730 68.214 68.868 0.126 0.000 0.863 235 T HN 0.407 nan 8.240 nan 0.000 0.428 236 G N 0.893 109.768 108.800 0.125 0.000 2.422 236 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 236 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 236 G C 1.710 176.678 174.900 0.113 0.000 1.146 236 G CA 1.440 46.618 45.100 0.130 0.000 0.769 236 G HN 0.462 nan 8.290 nan 0.000 0.547 237 T N 0.834 115.429 114.554 0.068 0.000 2.708 237 T HA -0.073 4.277 4.350 -0.001 0.000 0.266 237 T C 2.037 176.652 174.700 -0.143 0.000 1.037 237 T CA 1.042 63.111 62.100 -0.052 0.000 1.146 237 T CB -0.334 68.490 68.868 -0.073 0.000 0.865 237 T HN 0.299 nan 8.240 nan 0.000 0.435 238 F N 0.752 120.756 119.950 0.090 0.000 2.259 238 F HA 0.131 4.658 4.527 -0.000 0.000 0.298 238 F C 2.095 177.916 175.800 0.035 0.000 1.088 238 F CA 0.514 58.547 58.000 0.055 0.000 1.358 238 F CB -0.404 38.635 39.000 0.065 0.000 1.040 238 F HN 0.059 nan 8.300 nan 0.000 0.505 239 L N -0.832 120.513 121.223 0.203 0.000 2.083 239 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 239 L C 2.294 179.196 176.870 0.053 0.000 1.083 239 L CA 0.634 55.551 54.840 0.129 0.000 0.752 239 L CB -0.684 41.453 42.059 0.130 0.000 0.899 239 L HN -0.023 nan 8.230 nan 0.000 0.433 240 V N -0.071 119.845 119.914 0.003 0.000 2.427 240 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 240 V C 2.727 178.776 176.094 -0.075 0.000 1.051 240 V CA 1.551 63.785 62.300 -0.110 0.000 1.048 240 V CB -0.621 31.089 31.823 -0.188 0.000 0.666 240 V HN 0.463 nan 8.190 nan 0.000 0.456 241 A N 0.132 122.936 122.820 -0.026 0.000 1.908 241 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 241 A C 2.411 180.002 177.584 0.012 0.000 1.181 241 A CA 2.345 54.379 52.037 -0.004 0.000 0.627 241 A CB -0.736 18.304 19.000 0.067 0.000 0.818 241 A HN 0.571 nan 8.150 nan 0.000 0.445 242 A N -0.375 122.465 122.820 0.034 0.000 1.872 242 A HA 0.253 4.573 4.320 -0.001 0.000 0.214 242 A C 2.520 180.097 177.584 -0.012 0.000 1.187 242 A CA 1.876 53.924 52.037 0.017 0.000 0.614 242 A CB -1.092 17.925 19.000 0.029 0.000 0.826 242 A HN 1.127 nan 8.150 nan 0.000 0.442 243 A N 0.597 123.402 122.820 -0.024 0.000 1.978 243 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 243 A C 2.030 179.584 177.584 -0.050 0.000 1.170 243 A CA 1.649 53.661 52.037 -0.041 0.000 0.636 243 A CB -0.830 18.129 19.000 -0.067 0.000 0.810 243 A HN 1.026 nan 8.150 nan 0.000 0.448 244 I N -2.924 117.610 120.570 -0.060 0.000 3.728 244 I HA 0.103 4.273 4.170 -0.001 0.000 0.307 244 I C 1.365 177.462 176.117 -0.033 0.000 1.276 244 I CA 1.134 62.401 61.300 -0.055 0.000 1.285 244 I CB 0.196 38.153 38.000 -0.072 0.000 1.038 244 I HN 0.235 nan 8.210 nan 0.000 0.445 245 S N -0.023 115.663 115.700 -0.024 0.000 2.602 245 S HA 0.446 4.916 4.470 -0.001 0.000 0.240 245 S C 1.498 176.092 174.600 -0.009 0.000 0.992 245 S CA 0.126 58.318 58.200 -0.014 0.000 0.971 245 S CB 0.182 63.377 63.200 -0.010 0.000 0.855 245 S HN 0.716 nan 8.310 nan 0.000 0.481 246 G N 0.622 109.416 108.800 -0.010 0.000 2.180 246 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.263 246 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.263 246 G C 0.602 175.494 174.900 -0.013 0.000 0.989 246 G CA 0.191 45.287 45.100 -0.006 0.000 0.692 246 G HN 1.094 nan 8.290 nan 0.000 0.526 247 G N -0.871 107.919 108.800 -0.017 0.000 2.535 247 G HA2 0.583 4.543 3.960 -0.001 0.000 0.282 247 G HA3 0.583 4.543 3.960 -0.001 0.000 0.282 247 G C -0.105 174.770 174.900 -0.042 0.000 1.350 247 G CA 0.119 45.206 45.100 -0.021 0.000 1.039 247 G HN 0.699 nan 8.290 nan 0.000 0.509 248 K N -1.070 119.308 120.400 -0.036 0.000 2.482 248 K HA 0.635 4.954 4.320 -0.001 0.000 0.251 248 K C -1.743 174.846 176.600 -0.018 0.000 0.936 248 K CA -0.721 55.537 56.287 -0.048 0.000 0.791 248 K CB 2.049 34.510 32.500 -0.065 0.000 1.213 248 K HN 0.446 nan 8.250 nan 0.000 0.428 249 I N 3.064 123.633 120.570 -0.000 0.000 2.913 249 I HA 0.450 4.620 4.170 -0.001 0.000 0.302 249 I C -1.775 174.362 176.117 0.034 0.000 1.246 249 I CA -0.996 60.312 61.300 0.013 0.000 1.010 249 I CB 2.402 40.424 38.000 0.038 0.000 1.259 249 I HN 0.417 nan 8.210 nan 0.000 0.434 250 V N 5.209 125.134 119.914 0.018 0.000 2.483 250 V HA 0.357 4.477 4.120 -0.001 0.000 0.297 250 V C -0.718 175.406 176.094 0.050 0.000 1.027 250 V CA -0.570 61.762 62.300 0.052 0.000 0.855 250 V CB 1.444 33.250 31.823 -0.027 0.000 0.995 250 V HN 0.778 nan 8.190 nan 0.000 0.424 251 C N 6.147 125.519 119.300 0.119 0.000 2.285 251 C HA 0.622 5.082 4.460 -0.001 0.000 0.335 251 C C 0.542 175.613 174.990 0.134 0.000 1.267 251 C CA -1.063 58.009 59.018 0.091 0.000 1.762 251 C CB -0.003 27.809 27.740 0.119 0.000 2.365 251 C HN 0.738 nan 8.230 nan 0.000 0.527 252 R N 2.367 122.910 120.500 0.072 0.000 2.573 252 R HA 0.287 4.627 4.340 -0.001 0.000 0.272 252 R C 0.262 176.606 176.300 0.075 0.000 1.009 252 R CA -0.400 55.755 56.100 0.092 0.000 1.059 252 R CB 0.295 30.614 30.300 0.032 0.000 1.112 252 R HN 0.782 nan 8.270 nan 0.000 0.517 253 N N -1.269 117.481 118.700 0.083 0.000 2.754 253 N HA -0.190 4.550 4.740 -0.001 0.000 0.248 253 N C -1.080 174.459 175.510 0.048 0.000 1.093 253 N CA 1.167 54.248 53.050 0.052 0.000 0.699 253 N CB -0.951 37.552 38.487 0.027 0.000 1.016 253 N HN 0.747 nan 8.380 nan 0.000 0.552 254 A N -0.205 122.654 122.820 0.065 0.000 2.269 254 A HA 0.719 5.039 4.320 -0.001 0.000 0.327 254 A C 0.206 177.796 177.584 0.009 0.000 1.112 254 A CA -0.379 51.684 52.037 0.045 0.000 0.865 254 A CB 1.129 20.168 19.000 0.066 0.000 1.227 254 A HN 0.218 nan 8.150 nan 0.000 0.498 255 Q N 0.447 120.245 119.800 -0.004 0.000 3.090 255 Q HA 0.304 4.643 4.340 -0.001 0.000 0.241 255 Q C -2.272 173.712 176.000 -0.027 0.000 0.958 255 Q CA -1.759 54.030 55.803 -0.023 0.000 0.715 255 Q CB 1.217 29.946 28.738 -0.015 0.000 1.298 255 Q HN 0.440 nan 8.270 nan 0.000 0.468 256 P HA -0.246 nan 4.420 nan 0.000 0.218 256 P C 0.636 177.919 177.300 -0.028 0.000 1.154 256 P CA 1.794 64.858 63.100 -0.060 0.000 0.872 256 P CB 0.179 31.801 31.700 -0.130 0.000 0.790 257 D N -1.377 119.009 120.400 -0.024 0.000 2.384 257 D HA -0.122 4.517 4.640 -0.001 0.000 0.222 257 D C 1.166 177.493 176.300 0.046 0.000 0.976 257 D CA 1.527 55.529 54.000 0.003 0.000 0.915 257 D CB -1.561 39.239 40.800 0.001 0.000 0.896 257 D HN 0.258 nan 8.370 nan 0.000 0.523 258 T N -2.677 111.903 114.554 0.043 0.000 3.107 258 T HA 0.225 4.575 4.350 -0.001 0.000 0.249 258 T C 1.198 175.958 174.700 0.101 0.000 1.096 258 T CA -0.289 61.859 62.100 0.079 0.000 1.012 258 T CB -0.293 68.574 68.868 -0.002 0.000 0.977 258 T HN 0.202 nan 8.240 nan 0.000 0.527 259 L N 0.558 121.815 121.223 0.057 0.000 3.366 259 L HA 0.363 4.703 4.340 -0.001 0.000 0.304 259 L C 0.813 177.696 176.870 0.021 0.000 1.292 259 L CA -0.318 54.542 54.840 0.034 0.000 1.012 259 L CB 0.539 42.614 42.059 0.027 0.000 1.414 259 L HN -0.009 nan 8.230 nan 0.000 0.603 260 D N 1.590 122.000 120.400 0.016 0.000 2.116 260 D HA -0.231 4.409 4.640 -0.001 0.000 0.193 260 D C 2.139 178.443 176.300 0.006 0.000 0.998 260 D CA 1.801 55.802 54.000 0.002 0.000 0.836 260 D CB 0.218 41.007 40.800 -0.018 0.000 0.951 260 D HN 0.410 nan 8.370 nan 0.000 0.449 261 A N 0.754 123.567 122.820 -0.012 0.000 1.877 261 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 261 A C 2.628 180.238 177.584 0.044 0.000 1.186 261 A CA 1.542 53.586 52.037 0.012 0.000 0.620 261 A CB -0.852 18.146 19.000 -0.004 0.000 0.822 261 A HN 0.156 nan 8.150 nan 0.000 0.443 262 V N 0.274 120.174 119.914 -0.023 0.000 2.295 262 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 262 V C 2.578 178.769 176.094 0.163 0.000 1.049 262 V CA 1.984 64.297 62.300 0.022 0.000 1.024 262 V CB -0.792 31.020 31.823 -0.018 0.000 0.648 262 V HN 0.566 nan 8.190 nan 0.000 0.447 263 L N 0.004 121.292 121.223 0.108 0.000 2.083 263 L HA -0.151 4.189 4.340 -0.001 0.000 0.209 263 L C 2.733 179.670 176.870 0.113 0.000 1.083 263 L CA 1.512 56.419 54.840 0.112 0.000 0.752 263 L CB -0.860 41.237 42.059 0.064 0.000 0.899 263 L HN 0.375 nan 8.230 nan 0.000 0.433 264 A N -0.043 122.831 122.820 0.090 0.000 1.902 264 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 264 A C 2.295 179.946 177.584 0.110 0.000 1.181 264 A CA 1.679 53.764 52.037 0.080 0.000 0.623 264 A CB -0.319 18.714 19.000 0.054 0.000 0.818 264 A HN 0.151 nan 8.150 nan 0.000 0.443 265 K N -0.174 120.315 120.400 0.148 0.000 2.097 265 K HA 0.102 4.422 4.320 -0.001 0.000 0.205 265 K C 1.748 178.528 176.600 0.300 0.000 1.050 265 K CA 0.924 57.328 56.287 0.194 0.000 0.938 265 K CB -0.480 32.108 32.500 0.146 0.000 0.718 265 K HN 0.509 nan 8.250 nan 0.000 0.442 266 L N 0.014 121.436 121.223 0.331 0.000 2.093 266 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 266 L C 2.299 179.262 176.870 0.155 0.000 1.085 266 L CA 1.196 56.193 54.840 0.261 0.000 0.755 266 L CB -0.254 41.941 42.059 0.226 0.000 0.904 266 L HN 0.149 nan 8.230 nan 0.000 0.435 267 R N -0.030 120.549 120.500 0.131 0.000 2.092 267 R HA -0.161 4.179 4.340 -0.001 0.000 0.231 267 R C 2.071 178.424 176.300 0.089 0.000 1.119 267 R CA 1.170 57.328 56.100 0.097 0.000 0.970 267 R CB -0.227 30.121 30.300 0.080 0.000 0.864 267 R HN 0.440 nan 8.270 nan 0.000 0.440 268 E N 0.366 120.625 120.200 0.098 0.000 2.204 268 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 268 E C 1.649 178.298 176.600 0.083 0.000 0.990 268 E CA 0.989 57.438 56.400 0.081 0.000 0.821 268 E CB 0.044 29.791 29.700 0.079 0.000 0.750 268 E HN 0.331 nan 8.360 nan 0.000 0.477 269 A N -0.237 122.646 122.820 0.104 0.000 2.208 269 A HA 0.201 4.520 4.320 -0.001 0.000 0.209 269 A C 1.647 179.269 177.584 0.062 0.000 1.161 269 A CA 0.949 53.036 52.037 0.083 0.000 0.782 269 A CB -0.037 19.016 19.000 0.088 0.000 0.816 269 A HN 0.344 nan 8.150 nan 0.000 0.477 270 G N -2.423 106.419 108.800 0.069 0.000 2.168 270 G HA2 0.176 4.135 3.960 -0.001 0.000 0.197 270 G HA3 0.176 4.135 3.960 -0.001 0.000 0.197 270 G C 0.328 175.274 174.900 0.076 0.000 0.997 270 G CA 0.087 45.228 45.100 0.068 0.000 0.658 270 G HN 1.455 nan 8.290 nan 0.000 0.513 271 A N 0.103 122.966 122.820 0.071 0.000 2.371 271 A HA 0.575 4.894 4.320 -0.001 0.000 0.257 271 A C 0.118 177.749 177.584 0.078 0.000 1.089 271 A CA 0.563 52.636 52.037 0.061 0.000 0.794 271 A CB 0.594 19.627 19.000 0.055 0.000 1.029 271 A HN 0.546 nan 8.150 nan 0.000 0.488 272 D N 1.887 122.328 120.400 0.068 0.000 2.428 272 D HA 0.464 5.104 4.640 -0.001 0.000 0.221 272 D C -0.612 175.734 176.300 0.077 0.000 1.123 272 D CA 0.064 54.127 54.000 0.105 0.000 0.869 272 D CB -0.024 40.896 40.800 0.200 0.000 1.032 272 D HN 0.349 nan 8.370 nan 0.000 0.506 273 I N 2.772 123.393 120.570 0.085 0.000 2.441 273 I HA 0.391 4.561 4.170 -0.001 0.000 0.295 273 I C 0.333 176.504 176.117 0.089 0.000 0.994 273 I CA -0.773 60.579 61.300 0.086 0.000 1.144 273 I CB 1.793 39.837 38.000 0.074 0.000 1.314 273 I HN 0.255 nan 8.210 nan 0.000 0.445 274 E N 3.245 123.516 120.200 0.118 0.000 2.343 274 E HA 0.572 4.922 4.350 -0.001 0.000 0.270 274 E C -1.153 175.432 176.600 -0.025 0.000 0.895 274 E CA -0.743 55.722 56.400 0.108 0.000 0.767 274 E CB 2.877 32.727 29.700 0.250 0.000 1.248 274 E HN 0.683 nan 8.360 nan 0.000 0.440 275 T N -1.379 112.998 114.554 -0.296 0.000 2.906 275 T HA 0.804 5.153 4.350 -0.001 0.000 0.295 275 T C 0.089 174.067 174.700 -1.203 0.000 1.075 275 T CA -0.756 60.904 62.100 -0.734 0.000 1.005 275 T CB 1.948 70.583 68.868 -0.388 0.000 1.136 275 T HN 0.511 nan 8.240 nan 0.000 0.498 276 G N -0.007 107.687 108.800 -1.844 0.000 3.251 276 G HA2 0.501 4.460 3.960 -0.001 0.000 0.248 276 G HA3 0.501 4.460 3.960 -0.001 0.000 0.248 276 G C 0.277 174.759 174.900 -0.697 0.000 1.320 276 G CA -0.486 43.786 45.100 -1.381 0.000 0.982 276 G HN 0.713 nan 8.290 nan 0.000 0.575 277 E N -0.337 119.675 120.200 -0.314 0.000 2.077 277 E HA -0.092 4.258 4.350 -0.001 0.000 0.193 277 E C 0.917 177.441 176.600 -0.125 0.000 0.989 277 E CA 2.056 58.374 56.400 -0.138 0.000 0.800 277 E CB 0.153 29.847 29.700 -0.010 0.000 0.746 277 E HN 0.472 nan 8.360 nan 0.000 0.452 278 D N -1.205 119.148 120.400 -0.077 0.000 2.760 278 D HA 0.072 4.711 4.640 -0.001 0.000 0.314 278 D C -0.513 175.861 176.300 0.124 0.000 1.464 278 D CA -0.573 53.436 54.000 0.016 0.000 0.797 278 D CB -0.878 39.970 40.800 0.079 0.000 1.149 278 D HN 0.307 nan 8.370 nan 0.000 0.455 279 W N -0.115 121.189 121.300 0.006 0.000 3.137 279 W HA 0.670 5.329 4.660 -0.001 0.000 0.324 279 W C -2.122 174.405 176.519 0.015 0.000 1.253 279 W CA -1.271 56.078 57.345 0.007 0.000 1.183 279 W CB 0.455 29.915 29.460 0.001 0.000 1.424 279 W HN -0.286 nan 8.180 nan 0.000 0.566 280 I N 2.921 123.691 120.570 0.334 0.000 2.619 280 I HA 0.364 4.534 4.170 -0.001 0.000 0.292 280 I C -0.222 176.128 176.117 0.388 0.000 1.100 280 I CA -0.764 60.661 61.300 0.208 0.000 1.043 280 I CB 2.611 40.662 38.000 0.085 0.000 1.239 280 I HN 0.458 nan 8.210 nan 0.000 0.420 281 S N 6.693 122.625 115.700 0.387 0.000 2.526 281 S HA 0.831 5.301 4.470 -0.001 0.000 0.293 281 S C -1.069 173.626 174.600 0.159 0.000 1.092 281 S CA -0.738 57.626 58.200 0.274 0.000 0.980 281 S CB 2.268 65.651 63.200 0.306 0.000 1.048 281 S HN 0.644 nan 8.310 nan 0.000 0.483 282 L N 2.231 123.509 121.223 0.091 0.000 2.410 282 L HA 0.680 5.020 4.340 -0.001 0.000 0.270 282 L C -1.908 174.947 176.870 -0.024 0.000 0.983 282 L CA -0.299 54.568 54.840 0.045 0.000 0.822 282 L CB 1.875 43.967 42.059 0.056 0.000 1.285 282 L HN 0.837 nan 8.230 nan 0.000 0.409 283 D N 4.882 125.221 120.400 -0.102 0.000 2.696 283 D HA 0.281 4.921 4.640 -0.001 0.000 0.251 283 D C 0.238 176.331 176.300 -0.346 0.000 1.188 283 D CA -0.424 53.407 54.000 -0.281 0.000 0.876 283 D CB 1.920 42.433 40.800 -0.479 0.000 1.334 283 D HN 0.491 nan 8.370 nan 0.000 0.540 284 M N 1.566 121.029 119.600 -0.227 0.000 2.509 284 M HA 0.024 4.503 4.480 -0.001 0.000 0.250 284 M C 0.129 176.412 176.300 -0.028 0.000 1.132 284 M CA 0.312 55.553 55.300 -0.097 0.000 1.080 284 M CB -0.648 31.933 32.600 -0.033 0.000 1.408 284 M HN 0.491 nan 8.290 nan 0.000 0.484 285 H N 0.043 119.126 119.070 0.021 0.000 2.770 285 H HA -0.149 4.406 4.556 -0.001 0.000 0.309 285 H C 1.319 176.655 175.328 0.013 0.000 1.206 285 H CA 0.887 56.946 56.048 0.017 0.000 1.147 285 H CB -2.235 27.538 29.762 0.019 0.000 1.422 285 H HN 0.635 nan 8.280 nan 0.000 0.420 286 G N -0.595 108.247 108.800 0.069 0.000 2.186 286 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.266 286 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.266 286 G C 0.494 175.422 174.900 0.046 0.000 0.982 286 G CA 1.221 46.350 45.100 0.048 0.000 0.670 286 G HN 0.485 nan 8.290 nan 0.000 0.533 287 K N -0.168 120.267 120.400 0.059 0.000 2.118 287 K HA 0.581 4.901 4.320 -0.001 0.000 0.264 287 K C 0.806 177.424 176.600 0.029 0.000 1.000 287 K CA -0.676 55.639 56.287 0.048 0.000 0.929 287 K CB 0.676 33.215 32.500 0.065 0.000 1.021 287 K HN 0.336 nan 8.250 nan 0.000 0.463 288 R N 2.841 123.355 120.500 0.024 0.000 2.441 288 R HA 0.224 4.564 4.340 -0.001 0.000 0.284 288 R C -2.117 174.193 176.300 0.016 0.000 1.070 288 R CA -1.515 54.593 56.100 0.014 0.000 1.047 288 R CB 0.458 30.767 30.300 0.014 0.000 1.016 288 R HN 0.443 nan 8.270 nan 0.000 0.477 289 P HA 0.076 nan 4.420 nan 0.000 0.272 289 P C -1.262 176.048 177.300 0.017 0.000 1.223 289 P CA -0.127 62.978 63.100 0.008 0.000 0.784 289 P CB 0.734 32.425 31.700 -0.016 0.000 0.923 290 K N 1.015 121.432 120.400 0.028 0.000 2.172 290 K HA 0.476 4.796 4.320 -0.001 0.000 0.276 290 K C 0.241 176.862 176.600 0.035 0.000 1.013 290 K CA -0.622 55.684 56.287 0.032 0.000 0.913 290 K CB 1.345 33.868 32.500 0.038 0.000 1.055 290 K HN 0.556 nan 8.250 nan 0.000 0.461 291 A N 2.325 125.163 122.820 0.029 0.000 2.531 291 A HA 0.258 4.578 4.320 -0.001 0.000 0.236 291 A C 0.375 177.980 177.584 0.036 0.000 1.062 291 A CA -0.225 51.829 52.037 0.027 0.000 0.760 291 A CB -0.077 18.933 19.000 0.017 0.000 0.995 291 A HN 0.545 nan 8.150 nan 0.000 0.501 292 V N -0.296 119.646 119.914 0.046 0.000 3.074 292 V HA 0.875 4.995 4.120 -0.001 0.000 0.314 292 V C -0.094 175.999 176.094 -0.000 0.000 1.117 292 V CA -0.605 61.721 62.300 0.043 0.000 1.014 292 V CB 1.783 33.667 31.823 0.101 0.000 1.057 292 V HN 0.770 nan 8.190 nan 0.000 0.438 293 T N 1.939 116.474 114.554 -0.031 0.000 2.779 293 T HA 0.732 5.081 4.350 -0.001 0.000 0.280 293 T C -0.558 174.057 174.700 -0.142 0.000 0.987 293 T CA -0.261 61.797 62.100 -0.069 0.000 0.966 293 T CB 1.292 70.131 68.868 -0.048 0.000 0.933 293 T HN 0.745 nan 8.240 nan 0.000 0.442 294 V N 3.618 123.405 119.914 -0.210 0.000 2.823 294 V HA 0.674 4.794 4.120 -0.001 0.000 0.312 294 V C -0.209 175.728 176.094 -0.263 0.000 1.072 294 V CA -1.038 61.026 62.300 -0.395 0.000 0.937 294 V CB 2.287 33.632 31.823 -0.797 0.000 1.013 294 V HN 0.741 nan 8.190 nan 0.000 0.430 295 R N 2.067 122.425 120.500 -0.238 0.000 2.539 295 R HA 0.427 4.767 4.340 -0.001 0.000 0.295 295 R C -0.225 176.067 176.300 -0.013 0.000 1.138 295 R CA -0.286 55.761 56.100 -0.089 0.000 0.936 295 R CB 1.578 31.850 30.300 -0.047 0.000 1.182 295 R HN 0.965 nan 8.270 nan 0.000 0.459 296 T N 0.994 115.580 114.554 0.054 0.000 2.900 296 T HA 0.642 4.991 4.350 -0.001 0.000 0.307 296 T C 0.210 174.961 174.700 0.085 0.000 1.065 296 T CA -0.031 62.172 62.100 0.173 0.000 1.105 296 T CB 1.543 70.525 68.868 0.190 0.000 0.979 296 T HN 0.683 nan 8.240 nan 0.000 0.544 297 A N 2.774 125.644 122.820 0.084 0.000 2.544 297 A HA 0.712 5.032 4.320 -0.001 0.000 0.291 297 A C -3.158 174.444 177.584 0.029 0.000 1.055 297 A CA -1.672 50.382 52.037 0.028 0.000 0.651 297 A CB 0.151 19.162 19.000 0.017 0.000 1.296 297 A HN 0.657 nan 8.150 nan 0.000 0.431 298 P HA 0.254 nan 4.420 nan 0.000 0.268 298 P C -0.320 177.014 177.300 0.057 0.000 1.208 298 P CA 0.358 63.478 63.100 0.033 0.000 0.777 298 P CB 0.153 31.862 31.700 0.015 0.000 0.875 299 H N 3.998 123.062 119.070 -0.010 0.000 3.016 299 H HA 0.002 4.558 4.556 -0.001 0.000 0.345 299 H C -1.203 174.120 175.328 -0.008 0.000 1.066 299 H CA -0.611 55.429 56.048 -0.013 0.000 1.390 299 H CB 0.206 29.961 29.762 -0.012 0.000 1.344 299 H HN 0.323 nan 8.280 nan 0.000 0.605 300 P HA 0.122 nan 4.420 nan 0.000 0.255 300 P C -0.400 176.679 177.300 -0.369 0.000 1.357 300 P CA 0.203 62.719 63.100 -0.973 0.000 0.839 300 P CB -0.088 31.197 31.700 -0.692 0.000 1.356 301 A N 0.466 123.190 122.820 -0.159 0.000 2.262 301 A HA 0.259 4.579 4.320 -0.001 0.000 0.273 301 A C -0.221 177.374 177.584 0.019 0.000 1.202 301 A CA -0.565 51.449 52.037 -0.037 0.000 0.811 301 A CB -0.537 18.466 19.000 0.005 0.000 1.159 301 A HN 0.176 nan 8.150 nan 0.000 0.505 302 F N 1.809 121.715 119.950 -0.074 0.000 2.571 302 F HA 0.277 4.804 4.527 -0.000 0.000 0.384 302 F C -1.652 174.125 175.800 -0.039 0.000 1.058 302 F CA -1.489 56.457 58.000 -0.090 0.000 1.200 302 F CB 0.597 39.508 39.000 -0.149 0.000 1.077 302 F HN 0.256 nan 8.300 nan 0.000 0.558 303 P HA -0.016 nan 4.420 nan 0.000 0.276 303 P C 0.289 177.566 177.300 -0.038 0.000 1.230 303 P CA -0.084 62.921 63.100 -0.158 0.000 0.776 303 P CB 1.564 33.146 31.700 -0.197 0.000 0.888 304 T N 2.111 116.737 114.554 0.120 0.000 2.881 304 T HA -0.137 4.213 4.350 -0.001 0.000 0.270 304 T C 1.690 176.495 174.700 0.175 0.000 1.068 304 T CA 1.600 63.827 62.100 0.212 0.000 1.131 304 T CB -0.591 68.429 68.868 0.253 0.000 0.871 304 T HN 0.445 nan 8.240 nan 0.000 0.479 305 A N 0.454 123.333 122.820 0.098 0.000 2.216 305 A HA 0.199 4.518 4.320 -0.001 0.000 0.214 305 A C 2.073 179.688 177.584 0.051 0.000 1.160 305 A CA 0.806 52.879 52.037 0.059 0.000 0.725 305 A CB -0.346 18.670 19.000 0.026 0.000 0.784 305 A HN 0.509 nan 8.150 nan 0.000 0.472 306 M N -1.396 118.231 119.600 0.045 0.000 2.331 306 M HA 0.068 4.548 4.480 -0.001 0.000 0.266 306 M C 1.884 178.427 176.300 0.405 0.000 1.055 306 M CA 0.380 55.750 55.300 0.117 0.000 1.048 306 M CB -0.161 32.318 32.600 -0.202 0.000 1.460 306 M HN 0.606 nan 8.290 nan 0.000 0.519 307 Q N 1.067 121.126 119.800 0.430 0.000 2.077 307 Q HA -0.164 4.176 4.340 -0.001 0.000 0.206 307 Q C 1.735 177.909 176.000 0.291 0.000 0.989 307 Q CA 2.331 58.409 55.803 0.458 0.000 0.853 307 Q CB 0.001 28.967 28.738 0.379 0.000 0.907 307 Q HN 0.465 nan 8.270 nan 0.000 0.418 308 A N 0.552 123.404 122.820 0.054 0.000 1.883 308 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 308 A C 2.012 179.533 177.584 -0.105 0.000 1.186 308 A CA 1.877 53.691 52.037 -0.373 0.000 0.624 308 A CB -0.596 18.027 19.000 -0.628 0.000 0.822 308 A HN 0.500 nan 8.150 nan 0.000 0.444 309 Q N -1.236 118.587 119.800 0.038 0.000 2.084 309 Q HA -0.097 4.242 4.340 -0.001 0.000 0.202 309 Q C 1.648 177.691 176.000 0.071 0.000 0.978 309 Q CA 1.715 57.546 55.803 0.047 0.000 0.844 309 Q CB -0.457 28.330 28.738 0.082 0.000 0.898 309 Q HN 0.691 nan 8.270 nan 0.000 0.426 310 F N -0.026 119.998 119.950 0.123 0.000 2.407 310 F HA -0.084 4.442 4.527 -0.001 0.000 0.299 310 F C 2.107 177.944 175.800 0.062 0.000 1.097 310 F CA 1.054 59.126 58.000 0.120 0.000 1.422 310 F CB -0.237 38.875 39.000 0.186 0.000 1.067 310 F HN 0.019 nan 8.300 nan 0.000 0.539 311 T N 0.536 115.228 114.554 0.229 0.000 2.746 311 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 311 T C 2.023 176.774 174.700 0.085 0.000 1.039 311 T CA 1.341 63.541 62.100 0.167 0.000 1.142 311 T CB -0.533 68.533 68.868 0.330 0.000 0.866 311 T HN 0.147 nan 8.240 nan 0.000 0.444 312 L N 1.399 122.661 121.223 0.065 0.000 1.989 312 L HA 0.022 4.361 4.340 -0.001 0.000 0.211 312 L C 2.255 179.105 176.870 -0.033 0.000 1.071 312 L CA 1.573 56.419 54.840 0.009 0.000 0.749 312 L CB -1.012 41.035 42.059 -0.019 0.000 0.890 312 L HN 0.268 nan 8.230 nan 0.000 0.431 313 L N -0.286 120.889 121.223 -0.081 0.000 2.021 313 L HA -0.315 4.025 4.340 -0.001 0.000 0.215 313 L C 2.286 179.125 176.870 -0.052 0.000 1.074 313 L CA 2.055 56.823 54.840 -0.120 0.000 0.760 313 L CB -0.587 41.300 42.059 -0.287 0.000 0.889 313 L HN 0.428 nan 8.230 nan 0.000 0.433 314 N N -0.079 118.613 118.700 -0.014 0.000 2.166 314 N HA -0.158 4.582 4.740 -0.001 0.000 0.186 314 N C 1.822 177.323 175.510 -0.016 0.000 1.019 314 N CA 1.410 54.458 53.050 -0.004 0.000 0.856 314 N CB -0.401 38.087 38.487 0.001 0.000 0.993 314 N HN 0.384 nan 8.380 nan 0.000 0.426 315 L N 0.449 121.660 121.223 -0.020 0.000 2.353 315 L HA -0.058 4.282 4.340 -0.001 0.000 0.220 315 L C 1.346 178.205 176.870 -0.019 0.000 1.133 315 L CA 0.618 55.444 54.840 -0.024 0.000 0.798 315 L CB -0.095 41.945 42.059 -0.032 0.000 0.922 315 L HN 0.093 nan 8.230 nan 0.000 0.445 316 V N -4.833 115.070 119.914 -0.019 0.000 3.159 316 V HA 0.552 4.671 4.120 -0.001 0.000 0.333 316 V C 0.616 176.706 176.094 -0.006 0.000 1.424 316 V CA -0.266 62.025 62.300 -0.015 0.000 1.125 316 V CB -0.194 31.614 31.823 -0.025 0.000 1.075 316 V HN 0.095 nan 8.190 nan 0.000 0.482 317 A N 0.526 123.346 122.820 -0.001 0.000 2.248 317 A HA 0.792 5.112 4.320 -0.001 0.000 0.316 317 A C -0.104 177.492 177.584 0.020 0.000 1.101 317 A CA -0.537 51.504 52.037 0.006 0.000 0.875 317 A CB 1.092 20.096 19.000 0.005 0.000 1.207 317 A HN 0.422 nan 8.150 nan 0.000 0.504 318 E N -0.147 120.066 120.200 0.023 0.000 2.105 318 E HA 0.484 4.833 4.350 -0.001 0.000 0.285 318 E C 0.430 177.049 176.600 0.032 0.000 1.055 318 E CA 1.338 57.756 56.400 0.028 0.000 0.843 318 E CB -0.117 29.598 29.700 0.026 0.000 1.067 318 E HN 1.595 nan 8.360 nan 0.000 0.398 319 G N 2.754 111.579 108.800 0.042 0.000 2.422 319 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.607 319 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.607 319 G C -0.713 174.219 174.900 0.053 0.000 1.270 319 G CA -0.497 44.631 45.100 0.046 0.000 0.992 319 G HN 0.480 nan 8.290 nan 0.000 0.499 320 T N 1.236 115.819 114.554 0.048 0.000 2.753 320 T HA 0.630 4.979 4.350 -0.001 0.000 0.297 320 T C 0.679 175.364 174.700 -0.026 0.000 0.981 320 T CA 0.550 62.663 62.100 0.023 0.000 0.956 320 T CB 1.096 70.007 68.868 0.073 0.000 0.936 320 T HN 1.397 nan 8.240 nan 0.000 0.463 321 G N 1.842 110.604 108.800 -0.064 0.000 2.371 321 G HA2 0.602 4.562 3.960 -0.001 0.000 0.326 321 G HA3 0.602 4.562 3.960 -0.001 0.000 0.326 321 G C -0.965 173.880 174.900 -0.092 0.000 1.127 321 G CA -0.477 44.590 45.100 -0.055 0.000 0.885 321 G HN 0.624 nan 8.290 nan 0.000 0.477 322 V N 2.917 122.788 119.914 -0.072 0.000 2.487 322 V HA 0.450 4.569 4.120 -0.001 0.000 0.298 322 V C -0.270 175.782 176.094 -0.071 0.000 1.028 322 V CA -0.546 61.706 62.300 -0.080 0.000 0.860 322 V CB 1.455 33.243 31.823 -0.058 0.000 0.991 322 V HN 0.624 nan 8.190 nan 0.000 0.427 323 I N 3.539 124.070 120.570 -0.065 0.000 2.406 323 I HA 0.472 4.641 4.170 -0.001 0.000 0.290 323 I C -0.133 176.033 176.117 0.081 0.000 0.999 323 I CA -0.193 61.091 61.300 -0.026 0.000 1.124 323 I CB 2.224 40.228 38.000 0.006 0.000 1.289 323 I HN 0.499 nan 8.210 nan 0.000 0.441 324 T N 4.332 118.929 114.554 0.071 0.000 2.770 324 T HA 0.273 4.623 4.350 -0.001 0.000 0.283 324 T C -0.433 174.338 174.700 0.119 0.000 0.988 324 T CA -0.461 61.714 62.100 0.124 0.000 0.957 324 T CB 1.363 70.258 68.868 0.046 0.000 0.930 324 T HN 0.439 nan 8.240 nan 0.000 0.443 325 E N 2.044 122.329 120.200 0.142 0.000 2.134 325 E HA 0.383 4.732 4.350 -0.001 0.000 0.278 325 E C 0.849 177.431 176.600 -0.030 0.000 0.959 325 E CA -0.576 55.842 56.400 0.029 0.000 0.783 325 E CB 0.778 30.389 29.700 -0.148 0.000 1.095 325 E HN 0.642 nan 8.360 nan 0.000 0.399 326 T N 2.100 116.640 114.554 -0.024 0.000 3.044 326 T HA 0.197 4.547 4.350 -0.001 0.000 0.260 326 T C 1.069 175.699 174.700 -0.117 0.000 1.019 326 T CA -0.160 61.906 62.100 -0.057 0.000 0.921 326 T CB -0.012 68.832 68.868 -0.039 0.000 1.053 326 T HN 0.400 nan 8.240 nan 0.000 0.533 327 I N -0.181 120.295 120.570 -0.157 0.000 2.729 327 I HA 0.408 4.578 4.170 -0.001 0.000 0.256 327 I C 0.081 175.830 176.117 -0.613 0.000 1.115 327 I CA 0.003 61.069 61.300 -0.389 0.000 1.446 327 I CB -0.566 37.175 38.000 -0.431 0.000 1.176 327 I HN 0.205 nan 8.210 nan 0.000 0.446 328 F N 1.051 120.959 119.950 -0.069 0.000 2.507 328 F HA 0.294 4.820 4.527 -0.001 0.000 0.325 328 F C 1.260 176.978 175.800 -0.136 0.000 1.116 328 F CA -0.744 57.204 58.000 -0.086 0.000 0.930 328 F CB 1.429 40.384 39.000 -0.075 0.000 1.146 328 F HN -0.140 nan 8.300 nan 0.000 0.447 329 E N 0.267 120.507 120.200 0.068 0.000 2.265 329 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 329 E C 0.367 176.931 176.600 -0.060 0.000 0.996 329 E CA 0.930 57.318 56.400 -0.020 0.000 0.832 329 E CB -0.048 29.651 29.700 -0.002 0.000 0.756 329 E HN 0.461 nan 8.360 nan 0.000 0.491 330 N N 0.284 118.965 118.700 -0.032 0.000 2.723 330 N HA 0.180 4.920 4.740 -0.001 0.000 0.290 330 N C -0.655 174.813 175.510 -0.070 0.000 1.882 330 N CA -0.087 52.927 53.050 -0.060 0.000 0.851 330 N CB 0.315 38.789 38.487 -0.021 0.000 1.234 330 N HN -0.089 nan 8.380 nan 0.000 0.491 331 R N 1.405 121.805 120.500 -0.165 0.000 2.816 331 R HA 0.249 4.588 4.340 -0.001 0.000 0.382 331 R C -0.604 175.786 176.300 0.149 0.000 1.140 331 R CA -0.147 55.928 56.100 -0.043 0.000 1.050 331 R CB 0.019 30.315 30.300 -0.007 0.000 1.396 331 R HN 0.321 nan 8.270 nan 0.000 0.583 332 F N -0.260 119.735 119.950 0.076 0.000 2.775 332 F HA 0.165 4.691 4.527 -0.001 0.000 0.313 332 F C 1.314 176.982 175.800 -0.219 0.000 1.121 332 F CA -0.475 57.462 58.000 -0.105 0.000 1.206 332 F CB 0.716 39.657 39.000 -0.099 0.000 1.052 332 F HN 0.076 nan 8.300 nan 0.000 0.524 333 M N 0.230 119.913 119.600 0.139 0.000 2.446 333 M HA -0.189 4.291 4.480 -0.001 0.000 0.263 333 M C 2.340 178.658 176.300 0.029 0.000 1.066 333 M CA 1.327 56.663 55.300 0.060 0.000 1.087 333 M CB -0.566 32.065 32.600 0.051 0.000 1.406 333 M HN 0.317 nan 8.290 nan 0.000 0.459 334 H N -1.237 117.858 119.070 0.041 0.000 2.470 334 H HA 0.065 4.621 4.556 -0.001 0.000 0.289 334 H C 2.066 177.395 175.328 0.002 0.000 1.033 334 H CA 0.932 56.985 56.048 0.008 0.000 1.331 334 H CB -1.187 28.582 29.762 0.013 0.000 1.414 334 H HN 0.214 nan 8.280 nan 0.000 0.545 335 V N 2.526 122.149 119.914 -0.486 0.000 2.252 335 V HA -0.194 3.926 4.120 -0.001 0.000 0.249 335 V C -0.267 175.745 176.094 -0.137 0.000 1.056 335 V CA 2.431 64.544 62.300 -0.313 0.000 1.022 335 V CB -1.409 30.185 31.823 -0.382 0.000 0.641 335 V HN 0.407 nan 8.190 nan 0.000 0.445 336 P HA -0.109 nan 4.420 nan 0.000 0.218 336 P C 1.546 178.826 177.300 -0.032 0.000 1.149 336 P CA 1.115 64.186 63.100 -0.048 0.000 0.817 336 P CB -0.005 31.678 31.700 -0.029 0.000 0.785 337 E N -0.410 119.775 120.200 -0.025 0.000 2.046 337 E HA -0.058 4.292 4.350 -0.001 0.000 0.190 337 E C 2.115 178.706 176.600 -0.014 0.000 0.982 337 E CA 0.928 57.322 56.400 -0.010 0.000 0.800 337 E CB -0.957 28.746 29.700 0.005 0.000 0.756 337 E HN 0.311 nan 8.360 nan 0.000 0.449 338 L N 0.607 121.821 121.223 -0.016 0.000 2.131 338 L HA -0.103 4.236 4.340 -0.001 0.000 0.210 338 L C 2.479 179.319 176.870 -0.051 0.000 1.092 338 L CA 0.627 55.452 54.840 -0.024 0.000 0.759 338 L CB -0.345 41.707 42.059 -0.012 0.000 0.903 338 L HN 0.074 nan 8.230 nan 0.000 0.435 339 I N -0.504 120.035 120.570 -0.052 0.000 2.361 339 I HA -0.273 3.896 4.170 -0.001 0.000 0.251 339 I C 2.627 178.716 176.117 -0.046 0.000 1.133 339 I CA 1.097 62.363 61.300 -0.056 0.000 1.413 339 I CB -0.242 37.740 38.000 -0.030 0.000 1.073 339 I HN 0.206 nan 8.210 nan 0.000 0.424 340 R N 0.221 120.702 120.500 -0.030 0.000 2.152 340 R HA -0.067 4.273 4.340 -0.001 0.000 0.232 340 R C 1.853 178.136 176.300 -0.028 0.000 1.117 340 R CA 1.102 57.190 56.100 -0.020 0.000 0.981 340 R CB -0.114 30.179 30.300 -0.011 0.000 0.870 340 R HN 0.355 nan 8.270 nan 0.000 0.451 341 M N -0.771 118.806 119.600 -0.039 0.000 2.568 341 M HA 0.142 4.621 4.480 -0.001 0.000 0.226 341 M C 0.676 176.933 176.300 -0.072 0.000 1.148 341 M CA 0.458 55.732 55.300 -0.043 0.000 1.007 341 M CB 1.194 33.773 32.600 -0.036 0.000 1.651 341 M HN 0.430 nan 8.290 nan 0.000 0.488 342 G N 0.258 108.997 108.800 -0.103 0.000 2.176 342 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.232 342 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.232 342 G C 0.230 174.898 174.900 -0.387 0.000 0.986 342 G CA -0.067 44.923 45.100 -0.183 0.000 0.643 342 G HN 0.652 nan 8.290 nan 0.000 0.522 343 A N 0.471 123.122 122.820 -0.280 0.000 2.406 343 A HA 0.618 4.937 4.320 -0.001 0.000 0.243 343 A C 0.115 177.473 177.584 -0.378 0.000 1.082 343 A CA 0.119 51.978 52.037 -0.296 0.000 0.786 343 A CB 0.222 19.144 19.000 -0.130 0.000 1.029 343 A HN 0.553 nan 8.150 nan 0.000 0.495 344 H N -0.131 118.955 119.070 0.028 0.000 2.727 344 H HA 0.679 5.234 4.556 -0.000 0.000 0.330 344 H C -0.217 175.160 175.328 0.081 0.000 0.986 344 H CA 0.313 56.402 56.048 0.067 0.000 1.251 344 H CB 1.300 31.124 29.762 0.103 0.000 1.493 344 H HN 0.962 nan 8.280 nan 0.000 0.515 345 A N 2.744 125.657 122.820 0.154 0.000 2.612 345 A HA 0.624 4.944 4.320 -0.001 0.000 0.293 345 A C -1.253 176.335 177.584 0.006 0.000 1.075 345 A CA -0.843 51.202 52.037 0.014 0.000 0.680 345 A CB 1.877 20.812 19.000 -0.109 0.000 1.279 345 A HN 0.527 nan 8.150 nan 0.000 0.411 346 E N 0.197 120.370 120.200 -0.045 0.000 2.272 346 E HA 0.650 5.000 4.350 -0.001 0.000 0.269 346 E C -1.220 175.324 176.600 -0.094 0.000 0.877 346 E CA -0.251 56.131 56.400 -0.031 0.000 0.755 346 E CB 2.189 31.905 29.700 0.026 0.000 1.192 346 E HN 0.527 nan 8.360 nan 0.000 0.422 347 I N 2.371 122.897 120.570 -0.074 0.000 2.336 347 I HA 0.290 4.459 4.170 -0.001 0.000 0.292 347 I C -0.389 175.734 176.117 0.011 0.000 0.991 347 I CA -0.625 60.635 61.300 -0.067 0.000 1.227 347 I CB 1.098 39.085 38.000 -0.020 0.000 1.366 347 I HN 0.250 nan 8.210 nan 0.000 0.466 348 E N 5.355 125.576 120.200 0.034 0.000 2.267 348 E HA 0.317 4.666 4.350 -0.001 0.000 0.248 348 E C 0.002 176.652 176.600 0.084 0.000 0.899 348 E CA -0.119 56.310 56.400 0.047 0.000 0.764 348 E CB 1.674 31.390 29.700 0.027 0.000 1.227 348 E HN 0.741 nan 8.360 nan 0.000 0.421 349 S N 3.750 119.501 115.700 0.086 0.000 4.114 349 S HA -0.286 4.184 4.470 -0.001 0.000 0.618 349 S C 0.664 175.354 174.600 0.150 0.000 1.937 349 S CA 1.768 60.020 58.200 0.087 0.000 4.228 349 S CB -1.024 62.211 63.200 0.057 0.000 0.216 349 S HN 0.740 nan 8.310 nan 0.000 0.528 350 N N 2.245 121.022 118.700 0.128 0.000 2.327 350 N HA 0.231 4.971 4.740 -0.001 0.000 0.231 350 N C -0.120 175.593 175.510 0.339 0.000 1.130 350 N CA 0.854 53.993 53.050 0.147 0.000 0.845 350 N CB 0.145 38.638 38.487 0.010 0.000 1.073 350 N HN 0.882 nan 8.380 nan 0.000 0.496 351 T N -2.030 112.754 114.554 0.384 0.000 2.933 351 T HA 0.511 4.860 4.350 -0.001 0.000 0.305 351 T C -0.932 173.770 174.700 0.003 0.000 1.092 351 T CA -0.673 61.585 62.100 0.263 0.000 1.008 351 T CB 1.671 70.601 68.868 0.103 0.000 1.102 351 T HN -0.029 nan 8.240 nan 0.000 0.469 352 V N 3.206 122.963 119.914 -0.262 0.000 2.398 352 V HA 0.598 4.717 4.120 -0.001 0.000 0.286 352 V C -0.098 175.845 176.094 -0.251 0.000 1.026 352 V CA -1.140 60.907 62.300 -0.422 0.000 0.868 352 V CB 1.077 32.483 31.823 -0.695 0.000 0.982 352 V HN 0.809 nan 8.190 nan 0.000 0.443 353 I N 3.367 123.803 120.570 -0.224 0.000 2.312 353 I HA 0.352 4.521 4.170 -0.001 0.000 0.291 353 I C 0.105 175.970 176.117 -0.419 0.000 1.031 353 I CA -0.015 61.131 61.300 -0.258 0.000 1.293 353 I CB 0.802 38.694 38.000 -0.181 0.000 1.403 353 I HN 0.656 nan 8.210 nan 0.000 0.484 354 C N 6.251 125.304 119.300 -0.411 0.000 2.341 354 C HA 0.445 4.905 4.460 -0.001 0.000 0.338 354 C C 0.325 175.029 174.990 -0.476 0.000 1.257 354 C CA -0.558 58.236 59.018 -0.374 0.000 1.883 354 C CB 0.438 28.073 27.740 -0.176 0.000 2.334 354 C HN 0.613 nan 8.230 nan 0.000 0.524 355 H N 1.514 120.598 119.070 0.023 0.000 2.736 355 H HA 0.285 4.841 4.556 -0.001 0.000 0.271 355 H C 0.623 175.988 175.328 0.060 0.000 1.184 355 H CA -0.058 56.016 56.048 0.043 0.000 1.378 355 H CB 0.791 30.588 29.762 0.058 0.000 1.428 355 H HN 0.947 nan 8.280 nan 0.000 0.500 356 G N 1.705 110.566 108.800 0.102 0.000 2.474 356 G HA2 0.255 4.215 3.960 -0.001 0.000 0.233 356 G HA3 0.255 4.215 3.960 -0.001 0.000 0.233 356 G C 0.458 175.412 174.900 0.089 0.000 1.278 356 G CA -0.004 45.136 45.100 0.067 0.000 0.861 356 G HN 0.430 nan 8.290 nan 0.000 0.567 357 V N 0.009 119.954 119.914 0.052 0.000 3.001 357 V HA 0.649 4.769 4.120 -0.001 0.000 0.314 357 V C 1.083 177.191 176.094 0.023 0.000 1.099 357 V CA -0.448 61.884 62.300 0.053 0.000 0.989 357 V CB 1.914 33.753 31.823 0.026 0.000 1.040 357 V HN 0.759 nan 8.190 nan 0.000 0.434 358 E N 1.842 122.057 120.200 0.025 0.000 2.023 358 E HA -0.051 4.298 4.350 -0.001 0.000 0.196 358 E C 0.711 177.313 176.600 0.002 0.000 1.003 358 E CA 1.871 58.280 56.400 0.014 0.000 0.809 358 E CB 0.119 29.829 29.700 0.017 0.000 0.755 358 E HN 0.716 nan 8.360 nan 0.000 0.449 359 K N -0.423 119.976 120.400 -0.003 0.000 2.469 359 K HA 0.357 4.677 4.320 -0.001 0.000 0.254 359 K C -1.105 175.480 176.600 -0.025 0.000 0.939 359 K CA -0.699 55.581 56.287 -0.012 0.000 0.812 359 K CB 1.390 33.886 32.500 -0.007 0.000 1.301 359 K HN 0.077 nan 8.250 nan 0.000 0.433 360 L N 1.161 122.366 121.223 -0.030 0.000 2.399 360 L HA 0.398 4.738 4.340 -0.001 0.000 0.265 360 L C 0.031 176.884 176.870 -0.029 0.000 1.089 360 L CA -0.595 54.220 54.840 -0.041 0.000 0.802 360 L CB 1.767 43.801 42.059 -0.041 0.000 1.180 360 L HN 0.522 nan 8.230 nan 0.000 0.454 361 S N 0.023 115.705 115.700 -0.031 0.000 2.454 361 S HA 0.472 4.941 4.470 -0.001 0.000 0.306 361 S C 0.209 174.799 174.600 -0.016 0.000 1.100 361 S CA -0.714 57.474 58.200 -0.020 0.000 1.087 361 S CB 1.656 64.846 63.200 -0.017 0.000 1.019 361 S HN 0.774 nan 8.310 nan 0.000 0.480 362 G N 1.474 110.268 108.800 -0.010 0.000 2.484 362 G HA2 0.505 4.465 3.960 -0.001 0.000 0.235 362 G HA3 0.505 4.465 3.960 -0.001 0.000 0.235 362 G C -0.186 174.712 174.900 -0.004 0.000 1.282 362 G CA 0.180 45.276 45.100 -0.006 0.000 0.857 362 G HN 1.035 nan 8.290 nan 0.000 0.571 363 A N 1.594 124.414 122.820 -0.000 0.000 2.540 363 A HA 0.651 4.971 4.320 -0.001 0.000 0.291 363 A C -0.707 176.881 177.584 0.007 0.000 1.083 363 A CA -0.777 51.261 52.037 0.002 0.000 0.650 363 A CB 0.760 19.759 19.000 -0.003 0.000 1.292 363 A HN 0.650 nan 8.150 nan 0.000 0.435 364 Q N 0.510 120.314 119.800 0.008 0.000 2.314 364 Q HA 0.500 4.839 4.340 -0.001 0.000 0.257 364 Q C -0.146 175.859 176.000 0.009 0.000 0.975 364 Q CA -0.484 55.326 55.803 0.012 0.000 0.933 364 Q CB 1.370 30.116 28.738 0.014 0.000 1.195 364 Q HN 0.924 nan 8.270 nan 0.000 0.426 365 V N -0.167 119.752 119.914 0.009 0.000 3.126 365 V HA 0.703 4.823 4.120 -0.001 0.000 0.314 365 V C -0.695 175.400 176.094 0.002 0.000 1.138 365 V CA -1.294 61.008 62.300 0.004 0.000 1.034 365 V CB 2.240 34.063 31.823 0.001 0.000 1.075 365 V HN 0.828 nan 8.190 nan 0.000 0.442 366 M N 2.635 122.233 119.600 -0.003 0.000 2.253 366 M HA 0.795 5.275 4.480 -0.001 0.000 0.314 366 M C -0.112 176.169 176.300 -0.031 0.000 1.019 366 M CA -0.625 54.671 55.300 -0.008 0.000 0.932 366 M CB 1.495 34.099 32.600 0.006 0.000 1.606 366 M HN 1.215 nan 8.290 nan 0.000 0.430 367 A N 2.868 125.655 122.820 -0.056 0.000 2.477 367 A HA 0.427 4.747 4.320 -0.001 0.000 0.246 367 A C 0.841 178.314 177.584 -0.184 0.000 1.078 367 A CA 0.231 52.197 52.037 -0.119 0.000 0.770 367 A CB -0.039 18.882 19.000 -0.132 0.000 1.011 367 A HN 0.958 nan 8.150 nan 0.000 0.494 368 T N -1.550 112.819 114.554 -0.308 0.000 2.959 368 T HA 0.367 4.717 4.350 -0.001 0.000 0.254 368 T C -0.003 174.268 174.700 -0.715 0.000 1.003 368 T CA 0.641 62.528 62.100 -0.354 0.000 0.950 368 T CB -0.404 68.380 68.868 -0.140 0.000 1.090 368 T HN 0.877 nan 8.240 nan 0.000 0.503 369 D N -0.829 119.096 120.400 -0.791 0.000 2.692 369 D HA 0.374 5.014 4.640 -0.001 0.000 0.290 369 D C 0.671 176.748 176.300 -0.373 0.000 1.281 369 D CA -0.928 52.694 54.000 -0.630 0.000 0.804 369 D CB 0.679 41.306 40.800 -0.287 0.000 1.331 369 D HN -0.105 nan 8.370 nan 0.000 0.432 370 L N 0.550 121.685 121.223 -0.145 0.000 1.963 370 L HA -0.123 4.216 4.340 -0.001 0.000 0.220 370 L C 1.976 178.858 176.870 0.020 0.000 1.076 370 L CA 1.926 56.765 54.840 -0.002 0.000 0.772 370 L CB -0.656 41.426 42.059 0.038 0.000 0.892 370 L HN 0.493 nan 8.230 nan 0.000 0.435 371 R N -0.027 120.470 120.500 -0.005 0.000 2.148 371 R HA 0.045 4.385 4.340 -0.001 0.000 0.227 371 R C 2.168 178.412 176.300 -0.093 0.000 1.103 371 R CA 1.180 57.282 56.100 0.004 0.000 0.983 371 R CB -1.481 28.814 30.300 -0.008 0.000 0.874 371 R HN 0.589 nan 8.270 nan 0.000 0.451 372 A N 1.332 124.072 122.820 -0.133 0.000 1.898 372 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 372 A C 2.363 179.877 177.584 -0.117 0.000 1.181 372 A CA 1.844 53.798 52.037 -0.137 0.000 0.620 372 A CB -0.557 18.399 19.000 -0.073 0.000 0.819 372 A HN 0.444 nan 8.150 nan 0.000 0.442 373 S N 0.487 116.102 115.700 -0.141 0.000 2.370 373 S HA -0.056 4.414 4.470 -0.001 0.000 0.226 373 S C 2.126 176.638 174.600 -0.146 0.000 1.033 373 S CA 1.529 59.646 58.200 -0.139 0.000 1.011 373 S CB -0.811 62.301 63.200 -0.146 0.000 0.852 373 S HN 0.942 nan 8.310 nan 0.000 0.457 374 A N 1.678 124.380 122.820 -0.196 0.000 1.902 374 A HA 0.001 4.321 4.320 -0.001 0.000 0.217 374 A C 2.480 179.941 177.584 -0.203 0.000 1.181 374 A CA 1.900 53.746 52.037 -0.318 0.000 0.623 374 A CB -1.258 17.424 19.000 -0.531 0.000 0.818 374 A HN 0.578 nan 8.150 nan 0.000 0.443 375 S N -0.049 115.563 115.700 -0.146 0.000 2.368 375 S HA -0.088 4.382 4.470 -0.001 0.000 0.225 375 S C 1.804 176.363 174.600 -0.067 0.000 1.030 375 S CA 1.443 59.580 58.200 -0.106 0.000 0.999 375 S CB -0.440 62.693 63.200 -0.112 0.000 0.844 375 S HN 0.520 nan 8.310 nan 0.000 0.459 376 L N 0.969 122.160 121.223 -0.054 0.000 2.093 376 L HA -0.057 4.283 4.340 -0.001 0.000 0.208 376 L C 2.303 179.162 176.870 -0.019 0.000 1.085 376 L CA 0.759 55.584 54.840 -0.025 0.000 0.755 376 L CB -0.656 41.391 42.059 -0.020 0.000 0.904 376 L HN 0.208 nan 8.230 nan 0.000 0.435 377 V N 0.219 120.118 119.914 -0.025 0.000 2.358 377 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 377 V C 2.399 178.479 176.094 -0.024 0.000 1.047 377 V CA 1.508 63.817 62.300 0.015 0.000 1.035 377 V CB -0.289 31.567 31.823 0.056 0.000 0.658 377 V HN 0.349 nan 8.190 nan 0.000 0.452 378 L N -0.015 121.169 121.223 -0.065 0.000 2.083 378 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 378 L C 2.733 179.577 176.870 -0.043 0.000 1.083 378 L CA 1.425 56.226 54.840 -0.065 0.000 0.752 378 L CB -0.830 41.172 42.059 -0.094 0.000 0.899 378 L HN 0.370 nan 8.230 nan 0.000 0.433 379 A N 0.550 123.348 122.820 -0.037 0.000 1.902 379 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 379 A C 2.419 179.991 177.584 -0.020 0.000 1.181 379 A CA 1.790 53.811 52.037 -0.027 0.000 0.623 379 A CB -1.260 17.728 19.000 -0.020 0.000 0.818 379 A HN 0.436 nan 8.150 nan 0.000 0.443 380 G N -0.982 107.810 108.800 -0.012 0.000 2.442 380 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.219 380 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.219 380 G C 1.546 176.438 174.900 -0.014 0.000 1.141 380 G CA 1.298 46.394 45.100 -0.007 0.000 0.763 380 G HN 0.532 nan 8.290 nan 0.000 0.554 381 C N 0.743 120.032 119.300 -0.019 0.000 2.425 381 C HA 0.007 4.467 4.460 -0.001 0.000 0.277 381 C C 2.639 177.618 174.990 -0.018 0.000 1.280 381 C CA 0.929 59.935 59.018 -0.021 0.000 1.744 381 C CB -0.898 26.829 27.740 -0.021 0.000 1.989 381 C HN 0.663 nan 8.230 nan 0.000 0.491 382 I N -1.077 119.481 120.570 -0.020 0.000 3.968 382 I HA 0.379 4.548 4.170 -0.001 0.000 0.328 382 I C 1.034 177.140 176.117 -0.017 0.000 1.290 382 I CA -0.120 61.169 61.300 -0.018 0.000 1.163 382 I CB -0.401 37.586 38.000 -0.021 0.000 1.024 382 I HN 0.075 nan 8.210 nan 0.000 0.413 383 A N 1.945 124.755 122.820 -0.017 0.000 2.366 383 A HA 0.267 4.587 4.320 -0.001 0.000 0.249 383 A C 0.048 177.624 177.584 -0.013 0.000 1.084 383 A CA -0.192 51.835 52.037 -0.017 0.000 0.794 383 A CB 0.272 19.262 19.000 -0.017 0.000 1.034 383 A HN 0.471 nan 8.150 nan 0.000 0.491 384 E N 0.318 120.511 120.200 -0.012 0.000 2.052 384 E HA 0.481 4.831 4.350 -0.001 0.000 0.283 384 E C 0.548 177.144 176.600 -0.007 0.000 1.071 384 E CA 1.049 57.444 56.400 -0.008 0.000 0.851 384 E CB -0.367 29.329 29.700 -0.007 0.000 1.066 384 E HN 1.588 nan 8.360 nan 0.000 0.396 385 G N 2.910 111.706 108.800 -0.006 0.000 2.378 385 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.198 385 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.198 385 G C -0.631 174.266 174.900 -0.004 0.000 1.223 385 G CA -0.423 44.675 45.100 -0.004 0.000 1.088 385 G HN 0.528 nan 8.290 nan 0.000 0.530 386 T N 1.456 116.009 114.554 -0.001 0.000 2.767 386 T HA 0.669 5.018 4.350 -0.001 0.000 0.284 386 T C -0.111 174.592 174.700 0.006 0.000 0.973 386 T CA 0.305 62.407 62.100 0.002 0.000 0.996 386 T CB 1.416 70.287 68.868 0.004 0.000 0.927 386 T HN 0.709 nan 8.240 nan 0.000 0.456 387 T N 2.736 117.295 114.554 0.009 0.000 2.829 387 T HA 0.566 4.915 4.350 -0.001 0.000 0.280 387 T C -0.527 174.192 174.700 0.031 0.000 0.999 387 T CA -0.546 61.563 62.100 0.015 0.000 0.983 387 T CB 1.348 70.223 68.868 0.012 0.000 0.968 387 T HN 0.319 nan 8.240 nan 0.000 0.446 388 V N 3.589 123.524 119.914 0.034 0.000 2.376 388 V HA 0.363 4.483 4.120 -0.001 0.000 0.287 388 V C -0.295 175.826 176.094 0.046 0.000 1.015 388 V CA -0.798 61.532 62.300 0.049 0.000 0.834 388 V CB 1.665 33.512 31.823 0.040 0.000 1.001 388 V HN 0.728 nan 8.190 nan 0.000 0.428 389 V N 3.919 123.873 119.914 0.066 0.000 2.334 389 V HA 0.289 4.408 4.120 -0.001 0.000 0.267 389 V C 0.086 176.181 176.094 0.001 0.000 1.040 389 V CA -0.362 61.956 62.300 0.030 0.000 0.866 389 V CB 1.289 33.133 31.823 0.037 0.000 1.019 389 V HN 0.901 nan 8.190 nan 0.000 0.468 390 D N 4.002 124.400 120.400 -0.004 0.000 2.313 390 D HA 0.350 4.990 4.640 -0.001 0.000 0.247 390 D C 0.800 177.076 176.300 -0.039 0.000 1.094 390 D CA -0.123 53.874 54.000 -0.005 0.000 0.925 390 D CB 0.486 41.296 40.800 0.017 0.000 1.188 390 D HN 0.504 nan 8.370 nan 0.000 0.430 391 R N 1.667 122.150 120.500 -0.028 0.000 3.532 391 R HA -0.178 4.161 4.340 -0.001 0.000 0.284 391 R C 0.871 176.975 176.300 -0.325 0.000 1.140 391 R CA 0.593 56.633 56.100 -0.099 0.000 0.768 391 R CB -2.357 27.901 30.300 -0.071 0.000 1.252 391 R HN 0.494 nan 8.270 nan 0.000 0.454 392 I N -2.009 118.390 120.570 -0.285 0.000 3.334 392 I HA -0.138 4.032 4.170 -0.001 0.000 0.282 392 I C 2.048 177.951 176.117 -0.356 0.000 1.313 392 I CA 0.683 61.724 61.300 -0.432 0.000 1.396 392 I CB -0.963 36.512 38.000 -0.874 0.000 1.054 392 I HN 0.329 nan 8.210 nan 0.000 0.495 393 Y N 0.007 120.185 120.300 -0.203 0.000 2.256 393 Y HA -0.232 4.317 4.550 -0.001 0.000 0.288 393 Y C 2.374 178.188 175.900 -0.144 0.000 1.155 393 Y CA 1.448 59.439 58.100 -0.182 0.000 1.203 393 Y CB -1.686 36.653 38.460 -0.202 0.000 0.980 393 Y HN 0.216 nan 8.280 nan 0.000 0.530 394 H N 0.525 119.233 119.070 -0.603 0.000 2.353 394 H HA -0.183 4.372 4.556 -0.000 0.000 0.298 394 H C 2.369 177.627 175.328 -0.117 0.000 1.103 394 H CA 2.037 57.878 56.048 -0.345 0.000 1.293 394 H CB -0.350 29.148 29.762 -0.441 0.000 1.372 394 H HN 0.500 nan 8.280 nan 0.000 0.501 395 I N 1.090 121.647 120.570 -0.022 0.000 2.493 395 I HA -0.207 3.963 4.170 -0.001 0.000 0.254 395 I C 1.233 177.430 176.117 0.133 0.000 1.160 395 I CA 1.048 62.372 61.300 0.041 0.000 1.445 395 I CB 0.009 37.943 38.000 -0.110 0.000 1.086 395 I HN 0.089 nan 8.210 nan 0.000 0.433 396 D N 0.467 120.909 120.400 0.071 0.000 2.348 396 D HA -0.103 4.537 4.640 -0.001 0.000 0.216 396 D C 2.077 178.441 176.300 0.106 0.000 0.970 396 D CA 0.589 54.650 54.000 0.101 0.000 0.889 396 D CB -0.056 40.789 40.800 0.076 0.000 0.912 396 D HN 0.410 nan 8.370 nan 0.000 0.524 397 R N -0.211 120.355 120.500 0.110 0.000 2.119 397 R HA 0.052 4.392 4.340 -0.001 0.000 0.222 397 R C 1.863 178.198 176.300 0.059 0.000 1.088 397 R CA 1.093 57.244 56.100 0.086 0.000 0.984 397 R CB 0.170 30.526 30.300 0.093 0.000 0.884 397 R HN 0.087 nan 8.270 nan 0.000 0.447 398 G N -1.451 107.388 108.800 0.066 0.000 3.342 398 G HA2 0.098 4.058 3.960 -0.001 0.000 0.252 398 G HA3 0.098 4.058 3.960 -0.001 0.000 0.252 398 G C -0.530 174.224 174.900 -0.244 0.000 1.011 398 G CA -0.196 44.855 45.100 -0.082 0.000 0.869 398 G HN 0.052 nan 8.290 nan 0.000 0.514 399 Y N 0.730 121.056 120.300 0.044 0.000 2.326 399 Y HA 0.415 4.965 4.550 -0.001 0.000 0.329 399 Y C -0.034 175.921 175.900 0.090 0.000 0.973 399 Y CA -1.295 56.846 58.100 0.068 0.000 1.162 399 Y CB 1.740 40.234 38.460 0.058 0.000 1.147 399 Y HN 0.062 nan 8.280 nan 0.000 0.456 400 E N 5.335 125.659 120.200 0.206 0.000 2.217 400 E HA 0.167 4.517 4.350 -0.001 0.000 0.279 400 E C -0.049 176.666 176.600 0.193 0.000 1.068 400 E CA -0.531 55.965 56.400 0.161 0.000 0.882 400 E CB 0.346 30.110 29.700 0.106 0.000 1.039 400 E HN 0.719 nan 8.360 nan 0.000 0.418 401 R N 3.689 124.293 120.500 0.173 0.000 3.038 401 R HA -0.230 4.110 4.340 -0.001 0.000 0.242 401 R C 0.282 176.701 176.300 0.198 0.000 0.866 401 R CA 0.706 56.904 56.100 0.164 0.000 0.601 401 R CB -2.194 28.172 30.300 0.111 0.000 1.107 401 R HN 0.798 nan 8.270 nan 0.000 0.492 402 I N 0.197 120.918 120.570 0.252 0.000 2.493 402 I HA -0.225 3.945 4.170 -0.001 0.000 0.254 402 I C 2.430 178.654 176.117 0.179 0.000 1.160 402 I CA 1.757 63.219 61.300 0.271 0.000 1.445 402 I CB -0.029 38.078 38.000 0.177 0.000 1.086 402 I HN 0.677 nan 8.210 nan 0.000 0.433 403 E N 0.755 121.032 120.200 0.127 0.000 2.051 403 E HA -0.275 4.075 4.350 -0.001 0.000 0.192 403 E C 1.559 178.143 176.600 -0.027 0.000 0.991 403 E CA 1.822 58.190 56.400 -0.053 0.000 0.799 403 E CB 0.053 29.702 29.700 -0.084 0.000 0.748 403 E HN 0.491 nan 8.360 nan 0.000 0.449 404 D N 0.420 120.836 120.400 0.027 0.000 2.097 404 D HA -0.117 4.522 4.640 -0.001 0.000 0.197 404 D C 1.872 178.181 176.300 0.015 0.000 0.984 404 D CA 1.023 55.031 54.000 0.014 0.000 0.826 404 D CB -0.128 40.688 40.800 0.026 0.000 0.973 404 D HN 0.169 nan 8.370 nan 0.000 0.460 405 K N 0.309 120.738 120.400 0.050 0.000 2.057 405 K HA -0.049 4.271 4.320 -0.001 0.000 0.207 405 K C 2.318 178.938 176.600 0.033 0.000 1.049 405 K CA 0.579 56.867 56.287 0.000 0.000 0.931 405 K CB -0.128 32.375 32.500 0.005 0.000 0.714 405 K HN 0.143 nan 8.250 nan 0.000 0.440 406 L N 0.457 121.759 121.223 0.132 0.000 2.056 406 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 406 L C 2.750 179.635 176.870 0.024 0.000 1.078 406 L CA 1.009 55.922 54.840 0.122 0.000 0.749 406 L CB -0.309 41.801 42.059 0.084 0.000 0.901 406 L HN 0.186 nan 8.230 nan 0.000 0.433 407 R N 0.452 120.944 120.500 -0.013 0.000 2.083 407 R HA -0.176 4.163 4.340 -0.001 0.000 0.237 407 R C 2.183 178.468 176.300 -0.025 0.000 1.137 407 R CA 1.489 57.569 56.100 -0.033 0.000 0.951 407 R CB -0.266 30.006 30.300 -0.046 0.000 0.851 407 R HN 0.326 nan 8.270 nan 0.000 0.434 408 A N 0.324 123.128 122.820 -0.027 0.000 2.225 408 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 408 A C 1.712 179.274 177.584 -0.037 0.000 1.164 408 A CA 0.901 52.916 52.037 -0.036 0.000 0.710 408 A CB -0.200 18.770 19.000 -0.050 0.000 0.780 408 A HN 0.371 nan 8.150 nan 0.000 0.473 409 L N -2.042 119.167 121.223 -0.024 0.000 2.640 409 L HA 0.310 4.649 4.340 -0.001 0.000 0.230 409 L C 1.471 178.337 176.870 -0.007 0.000 1.123 409 L CA 0.543 55.374 54.840 -0.014 0.000 0.900 409 L CB 0.331 42.399 42.059 0.014 0.000 1.146 409 L HN 0.508 nan 8.230 nan 0.000 0.484 410 G N -0.048 108.744 108.800 -0.013 0.000 2.168 410 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.197 410 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.197 410 G C 0.333 175.223 174.900 -0.017 0.000 0.997 410 G CA -0.148 44.943 45.100 -0.014 0.000 0.658 410 G HN 0.396 nan 8.290 nan 0.000 0.513 411 A N 0.035 122.844 122.820 -0.018 0.000 2.371 411 A HA 0.613 4.933 4.320 -0.001 0.000 0.257 411 A C 0.484 178.040 177.584 -0.046 0.000 1.089 411 A CA 0.122 52.141 52.037 -0.030 0.000 0.794 411 A CB 0.433 19.413 19.000 -0.033 0.000 1.029 411 A HN 0.485 nan 8.150 nan 0.000 0.488 412 N N 1.911 120.581 118.700 -0.049 0.000 2.817 412 N HA 0.351 5.091 4.740 -0.001 0.000 0.234 412 N C -1.366 174.096 175.510 -0.079 0.000 1.066 412 N CA -0.033 52.984 53.050 -0.054 0.000 0.926 412 N CB 0.290 38.755 38.487 -0.037 0.000 1.176 412 N HN 0.664 nan 8.380 nan 0.000 0.506 413 I N 0.958 121.456 120.570 -0.120 0.000 2.647 413 I HA 0.434 4.604 4.170 -0.001 0.000 0.295 413 I C -1.228 174.761 176.117 -0.214 0.000 1.078 413 I CA -0.694 60.487 61.300 -0.199 0.000 1.048 413 I CB 2.112 39.927 38.000 -0.309 0.000 1.239 413 I HN 0.338 nan 8.210 nan 0.000 0.421 414 E N 7.369 127.442 120.200 -0.211 0.000 2.278 414 E HA 0.319 4.669 4.350 -0.001 0.000 0.272 414 E C -1.413 175.142 176.600 -0.075 0.000 0.890 414 E CA -0.889 55.430 56.400 -0.135 0.000 0.770 414 E CB 1.739 31.408 29.700 -0.052 0.000 1.212 414 E HN 0.645 nan 8.360 nan 0.000 0.415 415 R N 3.534 124.027 120.500 -0.011 0.000 2.340 415 R HA 0.368 4.707 4.340 -0.001 0.000 0.300 415 R C -0.671 175.722 176.300 0.156 0.000 1.069 415 R CA -0.294 55.956 56.100 0.250 0.000 0.984 415 R CB 0.801 31.307 30.300 0.344 0.000 1.003 415 R HN 0.358 nan 8.270 nan 0.000 0.459 416 V N 1.312 121.325 119.914 0.165 0.000 2.789 416 V HA 0.474 4.593 4.120 -0.001 0.000 0.311 416 V C -0.564 175.580 176.094 0.083 0.000 1.073 416 V CA -1.438 60.919 62.300 0.097 0.000 0.921 416 V CB 1.821 33.689 31.823 0.074 0.000 1.009 416 V HN 0.615 nan 8.190 nan 0.000 0.426 417 K N 2.551 122.987 120.400 0.060 0.000 2.518 417 K HA 0.234 4.554 4.320 -0.001 0.000 0.276 417 K C 0.876 177.501 176.600 0.042 0.000 0.974 417 K CA 1.042 57.357 56.287 0.047 0.000 0.986 417 K CB 0.706 33.226 32.500 0.034 0.000 0.901 417 K HN 1.200 nan 8.250 nan 0.000 0.497 418 G N 1.336 110.157 108.800 0.036 0.000 2.570 418 G HA2 0.143 4.102 3.960 -0.001 0.000 0.276 418 G HA3 0.143 4.102 3.960 -0.001 0.000 0.276 418 G C -0.452 174.464 174.900 0.026 0.000 1.346 418 G CA -0.165 44.955 45.100 0.032 0.000 1.034 418 G HN 0.607 nan 8.290 nan 0.000 0.512 419 E N 0.000 120.214 120.200 0.024 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 419 E CA 0.000 56.412 56.400 0.020 0.000 0.976 419 E CB 0.000 29.709 29.700 0.015 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440