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 1ryw_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR 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 AFPTDMQAQF 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 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.623 32.600 0.038 0.000 1.302 2 D N 3.849 124.277 120.400 0.047 0.000 2.419 2 D HA 0.410 5.050 4.640 0.000 0.000 0.236 2 D C -0.303 176.016 176.300 0.032 0.000 1.165 2 D CA 0.739 54.769 54.000 0.050 0.000 0.882 2 D CB 0.773 41.602 40.800 0.047 0.000 1.201 2 D HN 0.514 nan 8.370 nan 0.000 0.443 3 K N 0.521 120.960 120.400 0.065 0.000 2.466 3 K HA 0.504 4.825 4.320 0.000 0.000 0.260 3 K C -0.863 175.886 176.600 0.248 0.000 1.011 3 K CA -0.799 55.529 56.287 0.068 0.000 0.871 3 K CB 2.000 34.547 32.500 0.079 0.000 1.404 3 K HN 0.301 nan 8.250 nan 0.000 0.450 4 F N 1.322 121.277 119.950 0.009 0.000 2.467 4 F HA 0.386 4.913 4.527 0.000 0.000 0.336 4 F C 0.140 175.939 175.800 -0.002 0.000 1.123 4 F CA -1.052 56.949 58.000 0.001 0.000 0.964 4 F CB 2.004 40.997 39.000 -0.013 0.000 1.136 4 F HN 0.268 nan 8.300 nan 0.000 0.447 5 R N 4.148 124.733 120.500 0.142 0.000 2.255 5 R HA 0.619 4.959 4.340 0.000 0.000 0.326 5 R C -1.937 174.364 176.300 0.002 0.000 0.986 5 R CA -0.320 55.816 56.100 0.060 0.000 0.847 5 R CB 1.305 31.625 30.300 0.033 0.000 1.111 5 R HN 0.477 nan 8.270 nan 0.000 0.452 6 V N 4.659 124.580 119.914 0.011 0.000 2.588 6 V HA 0.316 4.436 4.120 0.000 0.000 0.304 6 V C -0.574 175.512 176.094 -0.013 0.000 1.042 6 V CA -0.781 61.507 62.300 -0.020 0.000 0.877 6 V CB 1.614 33.432 31.823 -0.008 0.000 0.996 6 V HN 0.778 nan 8.190 nan 0.000 0.425 7 Q N 2.171 121.957 119.800 -0.023 0.000 2.337 7 Q HA 0.760 5.101 4.340 0.000 0.000 0.266 7 Q C -0.282 175.707 176.000 -0.018 0.000 1.023 7 Q CA -0.308 55.485 55.803 -0.016 0.000 0.829 7 Q CB 2.262 30.990 28.738 -0.016 0.000 1.306 7 Q HN 0.980 nan 8.270 nan 0.000 0.449 8 G N 2.675 111.466 108.800 -0.014 0.000 2.827 8 G HA2 0.628 4.588 3.960 0.000 0.000 0.296 8 G HA3 0.628 4.588 3.960 0.000 0.000 0.296 8 G C -2.942 171.951 174.900 -0.012 0.000 1.362 8 G CA -1.015 44.076 45.100 -0.015 0.000 0.809 8 G HN 0.552 nan 8.290 nan 0.000 0.522 9 P HA 0.416 nan 4.420 nan 0.000 0.278 9 P C -0.777 176.515 177.300 -0.013 0.000 1.258 9 P CA -0.039 63.053 63.100 -0.013 0.000 0.811 9 P CB 1.599 33.291 31.700 -0.013 0.000 1.063 10 T N -2.028 112.518 114.554 -0.013 0.000 3.172 10 T HA 0.337 4.687 4.350 0.000 0.000 0.320 10 T C -0.435 174.260 174.700 -0.010 0.000 1.085 10 T CA -0.998 61.095 62.100 -0.012 0.000 1.052 10 T CB 1.176 70.036 68.868 -0.014 0.000 1.107 10 T HN 0.426 nan 8.240 nan 0.000 0.458 11 R N 3.409 123.904 120.500 -0.008 0.000 2.296 11 R HA 0.372 4.712 4.340 0.000 0.000 0.323 11 R C -0.450 175.848 176.300 -0.003 0.000 1.067 11 R CA -0.560 55.537 56.100 -0.007 0.000 0.946 11 R CB 0.031 30.327 30.300 -0.006 0.000 0.991 11 R HN 0.687 nan 8.270 nan 0.000 0.448 12 L N 6.432 127.656 121.223 0.002 0.000 2.313 12 L HA 0.186 4.526 4.340 0.000 0.000 0.282 12 L C 0.074 176.953 176.870 0.014 0.000 1.092 12 L CA 0.057 54.906 54.840 0.015 0.000 0.831 12 L CB 0.849 42.928 42.059 0.033 0.000 1.159 12 L HN 0.705 nan 8.230 nan 0.000 0.442 13 Q N 2.754 122.560 119.800 0.009 0.000 2.418 13 Q HA 0.863 5.203 4.340 0.000 0.000 0.282 13 Q C -0.298 175.698 176.000 -0.008 0.000 1.044 13 Q CA -0.647 55.155 55.803 -0.001 0.000 0.813 13 Q CB 2.980 31.711 28.738 -0.012 0.000 1.428 13 Q HN 0.655 nan 8.270 nan 0.000 0.402 14 G N 0.915 109.705 108.800 -0.017 0.000 2.233 14 G HA2 0.028 3.989 3.960 0.000 0.000 0.162 14 G HA3 0.028 3.989 3.960 0.000 0.000 0.162 14 G C -1.489 173.386 174.900 -0.041 0.000 1.327 14 G CA -0.451 44.631 45.100 -0.031 0.000 1.187 14 G HN 0.656 nan 8.290 nan 0.000 0.479 15 E N -1.701 118.463 120.200 -0.061 0.000 2.429 15 E HA 0.659 5.009 4.350 0.000 0.000 0.276 15 E C -1.595 174.922 176.600 -0.137 0.000 0.953 15 E CA -0.761 55.591 56.400 -0.080 0.000 0.787 15 E CB 3.249 32.904 29.700 -0.075 0.000 1.307 15 E HN 0.962 nan 8.360 nan 0.000 0.458 16 V N 0.642 120.453 119.914 -0.172 0.000 2.969 16 V HA 0.397 4.518 4.120 0.000 0.000 0.304 16 V C -1.552 174.429 176.094 -0.188 0.000 1.192 16 V CA -0.271 61.858 62.300 -0.286 0.000 0.962 16 V CB 2.444 33.873 31.823 -0.655 0.000 1.045 16 V HN 0.713 nan 8.190 nan 0.000 0.428 17 T N 7.712 122.171 114.554 -0.157 0.000 2.801 17 T HA 0.488 4.838 4.350 0.000 0.000 0.306 17 T C -0.053 174.606 174.700 -0.069 0.000 1.020 17 T CA -0.261 61.790 62.100 -0.082 0.000 0.948 17 T CB 0.281 69.116 68.868 -0.054 0.000 0.962 17 T HN 0.475 nan 8.240 nan 0.000 0.465 18 I N 3.366 123.915 120.570 -0.035 0.000 2.683 18 I HA 0.045 4.215 4.170 0.000 0.000 0.286 18 I C 1.245 177.366 176.117 0.007 0.000 1.175 18 I CA 0.302 61.606 61.300 0.007 0.000 1.429 18 I CB -0.226 37.796 38.000 0.037 0.000 1.371 18 I HN 0.547 nan 8.210 nan 0.000 0.569 19 S N 4.401 120.114 115.700 0.021 0.000 2.661 19 S HA 0.489 4.959 4.470 0.000 0.000 0.265 19 S C 0.659 175.254 174.600 -0.009 0.000 1.225 19 S CA -0.544 57.659 58.200 0.006 0.000 0.986 19 S CB 1.034 64.245 63.200 0.019 0.000 1.008 19 S HN 0.847 nan 8.310 nan 0.000 0.565 20 G N 0.015 108.801 108.800 -0.024 0.000 2.483 20 G HA2 0.468 4.428 3.960 0.000 0.000 0.248 20 G HA3 0.468 4.428 3.960 0.000 0.000 0.248 20 G C -0.078 174.801 174.900 -0.034 0.000 1.248 20 G CA -0.423 44.656 45.100 -0.036 0.000 0.838 20 G HN 0.896 nan 8.290 nan 0.000 0.566 21 A N 1.530 124.329 122.820 -0.034 0.000 2.545 21 A HA 0.210 4.530 4.320 0.000 0.000 0.253 21 A C 1.671 179.237 177.584 -0.030 0.000 1.074 21 A CA 0.413 52.429 52.037 -0.034 0.000 0.760 21 A CB 0.220 19.202 19.000 -0.030 0.000 1.005 21 A HN 0.926 nan 8.150 nan 0.000 0.506 22 K N 2.378 122.758 120.400 -0.034 0.000 2.063 22 K HA -0.172 4.148 4.320 0.000 0.000 0.208 22 K C 0.470 177.092 176.600 0.036 0.000 1.048 22 K CA 1.943 58.224 56.287 -0.011 0.000 0.928 22 K CB -0.109 32.370 32.500 -0.034 0.000 0.713 22 K HN 0.715 nan 8.250 nan 0.000 0.442 23 N N 0.012 118.736 118.700 0.040 0.000 2.434 23 N HA 0.038 4.778 4.740 0.000 0.000 0.196 23 N C 0.496 176.033 175.510 0.044 0.000 1.183 23 N CA 0.687 53.796 53.050 0.098 0.000 0.849 23 N CB 0.925 39.475 38.487 0.106 0.000 0.992 23 N HN 0.362 nan 8.380 nan 0.000 0.460 24 A N -0.156 122.661 122.820 -0.006 0.000 1.997 24 A HA 0.458 4.779 4.320 0.000 0.000 0.198 24 A C 2.083 179.613 177.584 -0.090 0.000 1.449 24 A CA 0.654 52.659 52.037 -0.053 0.000 0.908 24 A CB -0.370 18.611 19.000 -0.031 0.000 0.984 24 A HN 0.171 nan 8.150 nan 0.000 0.487 25 A N 0.370 123.151 122.820 -0.065 0.000 1.902 25 A HA -0.008 4.312 4.320 0.000 0.000 0.217 25 A C 2.105 179.638 177.584 -0.085 0.000 1.181 25 A CA 1.491 53.468 52.037 -0.100 0.000 0.623 25 A CB -0.655 18.300 19.000 -0.074 0.000 0.818 25 A HN 0.441 nan 8.150 nan 0.000 0.443 26 L N -0.042 121.199 121.223 0.030 0.000 1.976 26 L HA -0.110 4.231 4.340 0.000 0.000 0.209 26 L C -0.182 176.790 176.870 0.170 0.000 1.071 26 L CA 1.786 56.742 54.840 0.193 0.000 0.746 26 L CB -1.435 40.891 42.059 0.446 0.000 0.890 26 L HN 0.291 nan 8.230 nan 0.000 0.432 27 P HA -0.178 nan 4.420 nan 0.000 0.218 27 P C 1.803 178.943 177.300 -0.266 0.000 1.149 27 P CA 1.649 64.402 63.100 -0.578 0.000 0.817 27 P CB 0.049 31.178 31.700 -0.950 0.000 0.785 28 I N -0.660 119.742 120.570 -0.279 0.000 2.252 28 I HA -0.190 3.980 4.170 0.000 0.000 0.245 28 I C 2.670 178.547 176.117 -0.398 0.000 1.102 28 I CA 1.020 62.047 61.300 -0.455 0.000 1.385 28 I CB -0.584 37.000 38.000 -0.694 0.000 1.064 28 I HN -0.156 nan 8.210 nan 0.000 0.414 29 L N -0.304 120.740 121.223 -0.298 0.000 2.042 29 L HA -0.240 4.100 4.340 0.000 0.000 0.210 29 L C 2.448 179.179 176.870 -0.233 0.000 1.076 29 L CA 1.685 56.350 54.840 -0.290 0.000 0.749 29 L CB -0.536 41.316 42.059 -0.345 0.000 0.893 29 L HN 0.157 nan 8.230 nan 0.000 0.432 30 F N -0.587 119.358 119.950 -0.009 0.000 2.259 30 F HA -0.103 4.424 4.527 0.000 0.000 0.298 30 F C 2.551 178.392 175.800 0.069 0.000 1.088 30 F CA 0.837 58.877 58.000 0.067 0.000 1.358 30 F CB -0.429 38.653 39.000 0.137 0.000 1.040 30 F HN -0.006 nan 8.300 nan 0.000 0.505 31 A N 0.095 123.031 122.820 0.192 0.000 2.019 31 A HA -0.050 4.270 4.320 0.000 0.000 0.219 31 A C 2.329 180.078 177.584 0.276 0.000 1.164 31 A CA 1.334 53.495 52.037 0.207 0.000 0.644 31 A CB -1.097 18.040 19.000 0.229 0.000 0.805 31 A HN 0.292 nan 8.150 nan 0.000 0.449 32 A N -0.167 122.816 122.820 0.272 0.000 2.076 32 A HA -0.052 4.268 4.320 0.000 0.000 0.220 32 A C 1.962 179.660 177.584 0.190 0.000 1.160 32 A CA 1.307 53.506 52.037 0.271 0.000 0.653 32 A CB -0.590 18.502 19.000 0.153 0.000 0.801 32 A HN 0.502 nan 8.150 nan 0.000 0.455 33 L N -0.797 120.543 121.223 0.195 0.000 2.353 33 L HA -0.139 4.201 4.340 0.000 0.000 0.220 33 L C 2.032 179.030 176.870 0.214 0.000 1.133 33 L CA 0.618 55.597 54.840 0.232 0.000 0.798 33 L CB -0.333 41.902 42.059 0.292 0.000 0.922 33 L HN 0.416 nan 8.230 nan 0.000 0.445 34 L N -0.540 120.767 121.223 0.141 0.000 2.418 34 L HA 0.091 4.431 4.340 0.000 0.000 0.218 34 L C 1.372 178.250 176.870 0.013 0.000 1.125 34 L CA -0.353 54.516 54.840 0.048 0.000 0.835 34 L CB -0.386 41.682 42.059 0.015 0.000 0.953 34 L HN 0.115 nan 8.230 nan 0.000 0.454 35 A N 0.520 123.370 122.820 0.051 0.000 2.451 35 A HA 0.099 4.419 4.320 0.000 0.000 0.266 35 A C 1.001 178.613 177.584 0.047 0.000 1.119 35 A CA -0.181 51.874 52.037 0.030 0.000 0.786 35 A CB 0.137 19.174 19.000 0.062 0.000 1.061 35 A HN 0.316 nan 8.150 nan 0.000 0.503 36 E N 1.424 121.634 120.200 0.017 0.000 2.442 36 E HA 0.007 4.357 4.350 0.000 0.000 0.195 36 E C -0.132 176.494 176.600 0.043 0.000 1.030 36 E CA 0.525 56.943 56.400 0.030 0.000 0.869 36 E CB 0.384 30.085 29.700 0.001 0.000 0.857 36 E HN 0.831 nan 8.360 nan 0.000 0.505 37 E N 0.164 120.387 120.200 0.039 0.000 2.359 37 E HA 0.276 4.626 4.350 0.000 0.000 0.266 37 E C -2.705 173.936 176.600 0.069 0.000 0.920 37 E CA -2.484 53.944 56.400 0.048 0.000 0.788 37 E CB 1.732 31.452 29.700 0.033 0.000 1.279 37 E HN -0.202 nan 8.360 nan 0.000 0.438 38 P HA -0.062 nan 4.420 nan 0.000 0.263 38 P C -1.176 176.200 177.300 0.127 0.000 1.175 38 P CA 0.353 63.521 63.100 0.113 0.000 0.761 38 P CB 0.385 32.154 31.700 0.115 0.000 0.794 39 V N 3.286 123.292 119.914 0.153 0.000 2.735 39 V HA 0.368 4.488 4.120 0.000 0.000 0.310 39 V C -0.042 176.128 176.094 0.128 0.000 1.061 39 V CA -0.498 61.898 62.300 0.160 0.000 0.913 39 V CB 2.090 34.038 31.823 0.208 0.000 1.005 39 V HN 0.477 nan 8.190 nan 0.000 0.428 40 E N 3.904 124.147 120.200 0.071 0.000 2.191 40 E HA 0.567 4.917 4.350 0.000 0.000 0.263 40 E C -1.536 174.974 176.600 -0.150 0.000 0.881 40 E CA -0.573 55.730 56.400 -0.161 0.000 0.757 40 E CB 1.551 31.155 29.700 -0.159 0.000 1.147 40 E HN 0.631 nan 8.360 nan 0.000 0.414 41 I N 4.451 124.858 120.570 -0.272 0.000 2.330 41 I HA 0.198 4.368 4.170 0.000 0.000 0.289 41 I C 0.072 176.017 176.117 -0.287 0.000 1.001 41 I CA -0.523 60.651 61.300 -0.209 0.000 1.193 41 I CB 1.503 39.358 38.000 -0.242 0.000 1.345 41 I HN 0.414 nan 8.210 nan 0.000 0.461 42 Q N 3.994 123.668 119.800 -0.211 0.000 2.215 42 Q HA 0.345 4.685 4.340 0.000 0.000 0.256 42 Q C 0.226 176.130 176.000 -0.161 0.000 0.972 42 Q CA -0.831 54.844 55.803 -0.214 0.000 0.889 42 Q CB 0.962 29.596 28.738 -0.173 0.000 1.281 42 Q HN 0.572 nan 8.270 nan 0.000 0.456 43 N N -0.494 118.124 118.700 -0.137 0.000 2.758 43 N HA -0.160 4.580 4.740 0.000 0.000 0.248 43 N C -1.721 173.735 175.510 -0.091 0.000 1.076 43 N CA 0.256 53.248 53.050 -0.098 0.000 0.696 43 N CB -0.931 37.501 38.487 -0.091 0.000 0.979 43 N HN 0.340 nan 8.380 nan 0.000 0.550 44 V N 1.856 121.706 119.914 -0.107 0.000 2.432 44 V HA 0.405 4.525 4.120 0.000 0.000 0.271 44 V C -1.377 174.682 176.094 -0.057 0.000 1.046 44 V CA -1.048 61.196 62.300 -0.092 0.000 0.945 44 V CB 1.237 32.988 31.823 -0.120 0.000 0.992 44 V HN 0.216 nan 8.190 nan 0.000 0.471 45 P HA 0.200 nan 4.420 nan 0.000 0.274 45 P C -0.825 176.473 177.300 -0.004 0.000 1.237 45 P CA -0.569 62.522 63.100 -0.014 0.000 0.793 45 P CB 0.957 32.651 31.700 -0.011 0.000 0.977 46 K N 2.350 122.760 120.400 0.016 0.000 2.206 46 K HA 0.401 4.721 4.320 0.000 0.000 0.268 46 K C -0.194 176.429 176.600 0.039 0.000 1.111 46 K CA -0.197 56.105 56.287 0.026 0.000 0.955 46 K CB -0.063 32.458 32.500 0.035 0.000 1.406 46 K HN 0.418 nan 8.250 nan 0.000 0.427 47 L N 1.222 122.464 121.223 0.031 0.000 2.333 47 L HA 0.358 4.698 4.340 0.000 0.000 0.263 47 L C 1.388 178.281 176.870 0.040 0.000 1.014 47 L CA -1.070 53.795 54.840 0.041 0.000 0.820 47 L CB 1.318 43.395 42.059 0.030 0.000 1.352 47 L HN 0.298 nan 8.230 nan 0.000 0.421 48 K N 0.741 121.170 120.400 0.049 0.000 2.063 48 K HA -0.165 4.155 4.320 0.000 0.000 0.208 48 K C 1.101 177.724 176.600 0.039 0.000 1.048 48 K CA 1.756 58.070 56.287 0.044 0.000 0.928 48 K CB 0.062 32.595 32.500 0.055 0.000 0.713 48 K HN 0.606 nan 8.250 nan 0.000 0.442 49 D N 0.568 120.996 120.400 0.047 0.000 2.219 49 D HA -0.120 4.521 4.640 0.000 0.000 0.205 49 D C 1.843 178.172 176.300 0.049 0.000 0.970 49 D CA 0.521 54.556 54.000 0.058 0.000 0.851 49 D CB 0.073 40.918 40.800 0.075 0.000 0.943 49 D HN 0.163 nan 8.370 nan 0.000 0.488 50 I N 1.404 121.991 120.570 0.028 0.000 2.353 50 I HA -0.161 4.009 4.170 0.000 0.000 0.248 50 I C 1.702 177.814 176.117 -0.007 0.000 1.119 50 I CA 1.014 62.313 61.300 -0.001 0.000 1.417 50 I CB -0.739 37.254 38.000 -0.010 0.000 1.078 50 I HN -0.063 nan 8.210 nan 0.000 0.421 51 D N 0.667 121.071 120.400 0.008 0.000 2.097 51 D HA -0.126 4.514 4.640 0.000 0.000 0.197 51 D C 2.123 178.427 176.300 0.007 0.000 0.984 51 D CA 1.583 55.588 54.000 0.008 0.000 0.826 51 D CB -0.264 40.544 40.800 0.014 0.000 0.973 51 D HN 0.251 nan 8.370 nan 0.000 0.460 52 T N 0.538 115.102 114.554 0.018 0.000 2.746 52 T HA -0.109 4.241 4.350 0.000 0.000 0.267 52 T C 2.037 176.757 174.700 0.032 0.000 1.039 52 T CA 1.589 63.705 62.100 0.027 0.000 1.142 52 T CB -0.445 68.446 68.868 0.039 0.000 0.866 52 T HN 0.145 nan 8.240 nan 0.000 0.444 53 T N 2.030 116.593 114.554 0.015 0.000 2.708 53 T HA 0.012 4.362 4.350 0.000 0.000 0.266 53 T C 2.058 176.691 174.700 -0.111 0.000 1.037 53 T CA 1.086 63.143 62.100 -0.072 0.000 1.146 53 T CB -0.350 68.406 68.868 -0.187 0.000 0.865 53 T HN 0.291 nan 8.240 nan 0.000 0.435 54 M N 0.533 120.089 119.600 -0.074 0.000 2.108 54 M HA -0.111 4.369 4.480 0.000 0.000 0.261 54 M C 2.326 178.613 176.300 -0.023 0.000 1.066 54 M CA 1.679 56.948 55.300 -0.052 0.000 1.107 54 M CB -0.273 32.313 32.600 -0.024 0.000 1.356 54 M HN 0.128 nan 8.290 nan 0.000 0.406 55 K N 0.231 120.627 120.400 -0.007 0.000 2.057 55 K HA -0.139 4.181 4.320 0.000 0.000 0.207 55 K C 1.935 178.543 176.600 0.014 0.000 1.049 55 K CA 1.166 57.456 56.287 0.005 0.000 0.931 55 K CB -0.340 32.167 32.500 0.011 0.000 0.714 55 K HN 0.339 nan 8.250 nan 0.000 0.440 56 L N 1.272 122.513 121.223 0.029 0.000 2.017 56 L HA -0.194 4.146 4.340 0.000 0.000 0.208 56 L C 2.071 178.969 176.870 0.048 0.000 1.073 56 L CA 1.267 56.146 54.840 0.065 0.000 0.745 56 L CB -0.142 42.004 42.059 0.144 0.000 0.894 56 L HN 0.191 nan 8.230 nan 0.000 0.432 57 L N -0.781 120.445 121.223 0.006 0.000 2.046 57 L HA -0.220 4.120 4.340 0.000 0.000 0.208 57 L C 2.519 179.388 176.870 -0.001 0.000 1.077 57 L CA 1.756 56.595 54.840 -0.002 0.000 0.747 57 L CB -1.028 41.001 42.059 -0.052 0.000 0.896 57 L HN 0.278 nan 8.230 nan 0.000 0.432 58 T N -1.079 113.471 114.554 -0.005 0.000 2.684 58 T HA -0.289 4.061 4.350 0.000 0.000 0.267 58 T C 1.843 176.532 174.700 -0.018 0.000 1.036 58 T CA 1.377 63.473 62.100 -0.007 0.000 1.148 58 T CB -0.229 68.638 68.868 -0.002 0.000 0.863 58 T HN 0.341 nan 8.240 nan 0.000 0.436 59 Q N 0.362 120.154 119.800 -0.012 0.000 2.439 59 Q HA -0.009 4.331 4.340 0.000 0.000 0.211 59 Q C 1.632 177.599 176.000 -0.055 0.000 0.978 59 Q CA 0.808 56.597 55.803 -0.022 0.000 0.897 59 Q CB -0.189 28.550 28.738 0.002 0.000 0.956 59 Q HN 0.524 nan 8.270 nan 0.000 0.483 60 L N -1.263 119.926 121.223 -0.058 0.000 2.607 60 L HA 0.220 4.560 4.340 0.000 0.000 0.228 60 L C 1.109 177.877 176.870 -0.171 0.000 1.123 60 L CA 0.493 55.257 54.840 -0.126 0.000 0.890 60 L CB 0.346 42.367 42.059 -0.063 0.000 1.103 60 L HN 0.371 nan 8.230 nan 0.000 0.468 61 G N 0.004 108.740 108.800 -0.106 0.000 2.144 61 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 61 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 61 G C 0.248 175.123 174.900 -0.041 0.000 0.988 61 G CA 0.062 45.106 45.100 -0.092 0.000 0.659 61 G HN 0.243 nan 8.290 nan 0.000 0.522 62 T N 1.273 115.816 114.554 -0.018 0.000 2.889 62 T HA 0.482 4.832 4.350 0.000 0.000 0.291 62 T C 0.413 175.125 174.700 0.019 0.000 0.995 62 T CA -0.012 62.099 62.100 0.018 0.000 1.092 62 T CB 1.312 70.198 68.868 0.030 0.000 0.954 62 T HN 0.284 nan 8.240 nan 0.000 0.506 63 K N 2.401 122.823 120.400 0.035 0.000 2.262 63 K HA 0.552 4.872 4.320 0.000 0.000 0.282 63 K C -0.954 175.679 176.600 0.055 0.000 1.066 63 K CA -0.512 55.797 56.287 0.037 0.000 0.901 63 K CB 1.005 33.528 32.500 0.038 0.000 1.089 63 K HN 0.269 nan 8.250 nan 0.000 0.476 64 V N 3.311 123.255 119.914 0.050 0.000 2.709 64 V HA 0.386 4.506 4.120 0.000 0.000 0.308 64 V C -0.578 175.568 176.094 0.085 0.000 1.062 64 V CA -0.851 61.491 62.300 0.070 0.000 0.901 64 V CB 1.896 33.741 31.823 0.036 0.000 1.003 64 V HN 0.901 nan 8.190 nan 0.000 0.425 65 E N 4.141 124.431 120.200 0.151 0.000 2.392 65 E HA 0.803 5.153 4.350 0.000 0.000 0.279 65 E C -1.250 175.542 176.600 0.321 0.000 0.964 65 E CA -1.245 55.259 56.400 0.174 0.000 0.777 65 E CB 3.190 32.958 29.700 0.114 0.000 1.249 65 E HN 0.758 nan 8.360 nan 0.000 0.449 66 R N 0.061 120.732 120.500 0.284 0.000 2.810 66 R HA 0.390 4.730 4.340 0.000 0.000 0.266 66 R C -0.667 175.825 176.300 0.321 0.000 1.061 66 R CA -0.428 55.871 56.100 0.331 0.000 0.943 66 R CB 0.556 30.930 30.300 0.122 0.000 1.237 66 R HN 0.527 nan 8.270 nan 0.000 0.459 67 D N 0.315 120.885 120.400 0.284 0.000 2.099 67 D HA 0.074 4.714 4.640 0.000 0.000 0.278 67 D C 1.421 177.787 176.300 0.110 0.000 1.140 67 D CA 0.933 55.059 54.000 0.211 0.000 0.894 67 D CB -1.020 39.906 40.800 0.210 0.000 0.945 67 D HN 0.619 nan 8.370 nan 0.000 0.338 68 G N -1.056 107.767 108.800 0.040 0.000 2.744 68 G HA2 0.174 4.134 3.960 0.000 0.000 0.211 68 G HA3 0.174 4.134 3.960 0.000 0.000 0.211 68 G C 0.464 175.277 174.900 -0.146 0.000 1.146 68 G CA 0.226 45.304 45.100 -0.037 0.000 0.787 68 G HN 0.363 nan 8.290 nan 0.000 0.534 69 S N -1.194 114.328 115.700 -0.297 0.000 2.747 69 S HA 0.673 5.143 4.470 0.000 0.000 0.300 69 S C -0.882 173.352 174.600 -0.610 0.000 1.121 69 S CA -0.515 57.324 58.200 -0.601 0.000 0.995 69 S CB 2.408 64.954 63.200 -1.090 0.000 1.113 69 S HN -0.055 nan 8.310 nan 0.000 0.547 70 V N 1.734 121.298 119.914 -0.585 0.000 2.443 70 V HA 0.345 4.465 4.120 0.000 0.000 0.293 70 V C -1.120 174.790 176.094 -0.307 0.000 1.021 70 V CA -0.603 61.530 62.300 -0.279 0.000 0.848 70 V CB 1.149 32.876 31.823 -0.161 0.000 0.998 70 V HN 0.784 nan 8.190 nan 0.000 0.424 71 W N 5.539 126.839 121.300 -0.001 0.000 2.361 71 W HA 0.582 5.242 4.660 0.000 0.000 0.309 71 W C -0.744 175.782 176.519 0.012 0.000 1.122 71 W CA -0.574 56.778 57.345 0.013 0.000 1.208 71 W CB 1.631 31.100 29.460 0.014 0.000 1.246 71 W HN 0.297 nan 8.180 nan 0.000 0.490 72 I N 3.134 123.821 120.570 0.194 0.000 2.509 72 I HA 0.156 4.326 4.170 0.000 0.000 0.293 72 I C -0.508 175.692 176.117 0.138 0.000 1.020 72 I CA -0.645 60.735 61.300 0.132 0.000 1.088 72 I CB 1.880 39.930 38.000 0.082 0.000 1.267 72 I HN 0.286 nan 8.210 nan 0.000 0.430 73 D N 5.147 125.615 120.400 0.112 0.000 2.389 73 D HA 0.516 5.156 4.640 0.000 0.000 0.256 73 D C -0.124 176.231 176.300 0.093 0.000 1.239 73 D CA -0.305 53.755 54.000 0.100 0.000 0.925 73 D CB 1.606 42.456 40.800 0.085 0.000 1.145 73 D HN 0.599 nan 8.370 nan 0.000 0.542 74 A N 2.633 125.519 122.820 0.109 0.000 2.545 74 A HA 0.185 4.505 4.320 0.000 0.000 0.277 74 A C 1.695 179.376 177.584 0.161 0.000 1.301 74 A CA 0.310 52.427 52.037 0.133 0.000 0.935 74 A CB -0.250 18.848 19.000 0.163 0.000 1.093 74 A HN 0.463 nan 8.150 nan 0.000 0.519 75 S N -0.181 115.593 115.700 0.123 0.000 2.399 75 S HA -0.138 4.332 4.470 0.000 0.000 0.231 75 S C 1.053 175.740 174.600 0.145 0.000 1.022 75 S CA 1.502 59.775 58.200 0.122 0.000 0.983 75 S CB -0.492 62.759 63.200 0.084 0.000 0.803 75 S HN 0.666 nan 8.310 nan 0.000 0.480 76 N N 0.920 119.689 118.700 0.114 0.000 2.458 76 N HA 0.240 4.980 4.740 0.000 0.000 0.274 76 N C -0.954 174.584 175.510 0.047 0.000 1.242 76 N CA -0.260 52.843 53.050 0.089 0.000 0.904 76 N CB 0.530 39.046 38.487 0.047 0.000 1.206 76 N HN 0.124 nan 8.380 nan 0.000 0.510 77 V N 3.161 123.127 119.914 0.085 0.000 2.458 77 V HA -0.063 4.057 4.120 0.000 0.000 0.287 77 V C 0.812 176.715 176.094 -0.318 0.000 1.009 77 V CA 0.436 62.670 62.300 -0.110 0.000 1.091 77 V CB 0.350 32.135 31.823 -0.064 0.000 0.960 77 V HN 0.583 nan 8.190 nan 0.000 0.476 78 N N 2.608 121.051 118.700 -0.429 0.000 2.159 78 N HA 0.096 4.836 4.740 0.000 0.000 0.217 78 N C 0.024 174.952 175.510 -0.969 0.000 1.223 78 N CA -0.311 52.432 53.050 -0.513 0.000 0.896 78 N CB 0.193 38.548 38.487 -0.220 0.000 1.064 78 N HN 0.579 nan 8.380 nan 0.000 0.518 79 N N -0.183 117.875 118.700 -1.070 0.000 2.272 79 N HA 0.391 5.132 4.740 0.000 0.000 0.305 79 N C -1.470 173.339 175.510 -1.167 0.000 1.103 79 N CA -0.803 51.667 53.050 -0.966 0.000 0.791 79 N CB 0.914 39.154 38.487 -0.412 0.000 1.356 79 N HN 0.011 nan 8.380 nan 0.000 0.486 80 F N -0.169 119.721 119.950 -0.099 0.000 2.764 80 F HA 0.397 4.924 4.527 0.000 0.000 0.310 80 F C 0.734 176.537 175.800 0.007 0.000 1.124 80 F CA -0.536 57.424 58.000 -0.066 0.000 1.252 80 F CB 0.147 39.104 39.000 -0.072 0.000 1.010 80 F HN 0.288 nan 8.300 nan 0.000 0.518 81 S N 1.098 116.848 115.700 0.082 0.000 2.532 81 S HA 0.872 5.342 4.470 0.000 0.000 0.301 81 S C -0.590 174.085 174.600 0.125 0.000 1.083 81 S CA -0.399 57.867 58.200 0.110 0.000 1.025 81 S CB 1.459 64.688 63.200 0.048 0.000 1.056 81 S HN 0.177 nan 8.310 nan 0.000 0.494 82 A N 5.276 128.210 122.820 0.189 0.000 2.323 82 A HA 0.686 5.006 4.320 0.000 0.000 0.305 82 A C -2.755 174.981 177.584 0.252 0.000 1.275 82 A CA -1.723 50.420 52.037 0.177 0.000 0.804 82 A CB 0.744 19.833 19.000 0.149 0.000 1.152 82 A HN 0.670 nan 8.150 nan 0.000 0.487 83 P HA -0.015 nan 4.420 nan 0.000 0.272 83 P C 0.326 177.739 177.300 0.189 0.000 1.223 83 P CA -0.015 63.268 63.100 0.305 0.000 0.784 83 P CB 0.702 32.527 31.700 0.208 0.000 0.923 84 Y N 2.307 122.654 120.300 0.079 0.000 2.151 84 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 84 Y C 1.900 177.793 175.900 -0.012 0.000 1.166 84 Y CA 2.152 60.222 58.100 -0.051 0.000 1.163 84 Y CB -0.626 37.803 38.460 -0.051 0.000 0.974 84 Y HN 0.296 nan 8.280 nan 0.000 0.511 85 D N 0.120 120.567 120.400 0.078 0.000 2.149 85 D HA -0.206 4.434 4.640 0.000 0.000 0.198 85 D C 2.230 178.475 176.300 -0.092 0.000 0.990 85 D CA 1.719 55.710 54.000 -0.015 0.000 0.839 85 D CB -0.211 40.629 40.800 0.067 0.000 0.948 85 D HN 0.431 nan 8.370 nan 0.000 0.460 86 L N 0.251 121.447 121.223 -0.046 0.000 2.127 86 L HA -0.064 4.277 4.340 0.000 0.000 0.203 86 L C 2.562 179.382 176.870 -0.085 0.000 1.080 86 L CA 0.304 55.121 54.840 -0.038 0.000 0.768 86 L CB -0.146 41.926 42.059 0.023 0.000 0.924 86 L HN -0.112 nan 8.230 nan 0.000 0.444 87 V N 1.151 120.995 119.914 -0.117 0.000 2.407 87 V HA -0.299 3.821 4.120 0.000 0.000 0.248 87 V C 2.467 178.415 176.094 -0.244 0.000 1.055 87 V CA 2.155 64.360 62.300 -0.158 0.000 1.049 87 V CB -0.794 30.932 31.823 -0.162 0.000 0.662 87 V HN 0.592 nan 8.190 nan 0.000 0.455 88 K N 1.294 121.447 120.400 -0.411 0.000 2.360 88 K HA -0.154 4.166 4.320 0.000 0.000 0.201 88 K C 1.674 178.133 176.600 -0.236 0.000 1.046 88 K CA 1.764 57.786 56.287 -0.442 0.000 0.945 88 K CB -0.518 31.524 32.500 -0.762 0.000 0.750 88 K HN 0.616 nan 8.250 nan 0.000 0.464 89 T N -2.351 112.099 114.554 -0.172 0.000 3.022 89 T HA 0.201 4.551 4.350 0.000 0.000 0.250 89 T C 0.611 175.275 174.700 -0.061 0.000 1.060 89 T CA -0.400 61.641 62.100 -0.098 0.000 1.013 89 T CB 0.099 68.920 68.868 -0.077 0.000 0.982 89 T HN 0.247 nan 8.240 nan 0.000 0.508 90 M N 2.148 121.704 119.600 -0.073 0.000 2.295 90 M HA 0.359 4.839 4.480 0.000 0.000 0.219 90 M C 0.480 176.724 176.300 -0.093 0.000 0.981 90 M CA -0.664 54.608 55.300 -0.046 0.000 1.019 90 M CB 1.346 33.958 32.600 0.020 0.000 2.528 90 M HN 0.147 nan 8.290 nan 0.000 0.445 91 R N 2.127 122.544 120.500 -0.139 0.000 2.193 91 R HA 0.038 4.378 4.340 0.000 0.000 0.229 91 R C 1.334 177.448 176.300 -0.310 0.000 1.110 91 R CA 1.675 57.649 56.100 -0.210 0.000 0.988 91 R CB -0.580 29.593 30.300 -0.212 0.000 0.871 91 R HN 0.631 nan 8.270 nan 0.000 0.458 92 A N 1.184 123.827 122.820 -0.295 0.000 2.131 92 A HA -0.132 4.188 4.320 0.000 0.000 0.220 92 A C 2.072 179.362 177.584 -0.490 0.000 1.158 92 A CA 1.623 53.377 52.037 -0.472 0.000 0.665 92 A CB -0.601 18.338 19.000 -0.102 0.000 0.795 92 A HN 0.444 nan 8.150 nan 0.000 0.460 93 S N -0.486 115.054 115.700 -0.266 0.000 2.440 93 S HA -0.194 4.276 4.470 0.000 0.000 0.240 93 S C 1.671 176.038 174.600 -0.388 0.000 1.014 93 S CA 1.327 59.379 58.200 -0.246 0.000 0.980 93 S CB -0.463 62.717 63.200 -0.034 0.000 0.775 93 S HN 0.620 nan 8.310 nan 0.000 0.499 94 I N 0.851 121.185 120.570 -0.393 0.000 2.530 94 I HA -0.131 4.039 4.170 0.000 0.000 0.257 94 I C 1.355 177.339 176.117 -0.221 0.000 1.179 94 I CA 0.953 62.066 61.300 -0.312 0.000 1.440 94 I CB -0.350 37.401 38.000 -0.416 0.000 1.087 94 I HN 0.390 nan 8.210 nan 0.000 0.440 95 W N 0.461 121.464 121.300 -0.496 0.000 2.848 95 W HA 0.079 4.740 4.660 0.000 0.000 0.241 95 W C 2.281 178.587 176.519 -0.355 0.000 1.289 95 W CA 0.717 57.791 57.345 -0.453 0.000 1.396 95 W CB -1.167 27.945 29.460 -0.579 0.000 1.138 95 W HN 0.315 nan 8.180 nan 0.000 0.677 96 A N -0.552 122.189 122.820 -0.132 0.000 2.021 96 A HA -0.039 4.281 4.320 0.000 0.000 0.216 96 A C 1.935 179.632 177.584 0.188 0.000 1.163 96 A CA 0.595 52.740 52.037 0.181 0.000 0.676 96 A CB -0.526 18.625 19.000 0.252 0.000 0.818 96 A HN 0.111 nan 8.150 nan 0.000 0.453 97 L N 0.403 121.703 121.223 0.128 0.000 1.970 97 L HA -0.098 4.242 4.340 0.000 0.000 0.212 97 L C 2.457 179.417 176.870 0.150 0.000 1.071 97 L CA 2.446 57.367 54.840 0.136 0.000 0.751 97 L CB -1.145 40.975 42.059 0.102 0.000 0.889 97 L HN 0.321 nan 8.230 nan 0.000 0.432 98 G N -0.896 107.997 108.800 0.156 0.000 2.459 98 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 98 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 98 G C -0.654 174.324 174.900 0.129 0.000 1.183 98 G CA 0.958 46.137 45.100 0.133 0.000 0.776 98 G HN 0.379 nan 8.290 nan 0.000 0.552 99 P HA -0.014 nan 4.420 nan 0.000 0.216 99 P C 2.102 179.533 177.300 0.220 0.000 1.153 99 P CA 0.655 63.857 63.100 0.171 0.000 0.848 99 P CB -0.088 31.744 31.700 0.220 0.000 0.787 100 L N -1.077 120.316 121.223 0.284 0.000 2.017 100 L HA -0.134 4.206 4.340 0.000 0.000 0.208 100 L C 2.454 179.490 176.870 0.276 0.000 1.073 100 L CA 1.348 56.425 54.840 0.394 0.000 0.745 100 L CB -1.154 41.111 42.059 0.344 0.000 0.894 100 L HN -0.091 nan 8.230 nan 0.000 0.432 101 V N -0.251 119.757 119.914 0.156 0.000 2.548 101 V HA -0.156 3.964 4.120 0.000 0.000 0.249 101 V C 2.507 178.625 176.094 0.040 0.000 1.055 101 V CA 1.618 63.965 62.300 0.078 0.000 1.065 101 V CB 0.098 31.957 31.823 0.061 0.000 0.681 101 V HN 0.404 nan 8.190 nan 0.000 0.462 102 A N -0.014 122.832 122.820 0.043 0.000 1.929 102 A HA -0.144 4.176 4.320 0.000 0.000 0.216 102 A C 2.416 179.960 177.584 -0.068 0.000 1.176 102 A CA 1.792 53.825 52.037 -0.007 0.000 0.628 102 A CB -0.475 18.526 19.000 0.002 0.000 0.816 102 A HN 0.567 nan 8.150 nan 0.000 0.444 103 R N -2.180 118.255 120.500 -0.107 0.000 2.128 103 R HA 0.136 4.476 4.340 0.000 0.000 0.211 103 R C 0.710 176.697 176.300 -0.521 0.000 1.067 103 R CA 0.879 56.762 56.100 -0.361 0.000 1.010 103 R CB -0.014 29.955 30.300 -0.552 0.000 0.922 103 R HN 0.463 nan 8.270 nan 0.000 0.457 104 F N -0.759 119.155 119.950 -0.060 0.000 2.678 104 F HA 0.402 4.929 4.527 0.000 0.000 0.305 104 F C 1.333 176.985 175.800 -0.247 0.000 1.090 104 F CA 0.351 58.242 58.000 -0.181 0.000 1.272 104 F CB 1.349 40.134 39.000 -0.359 0.000 1.060 104 F HN 0.270 nan 8.300 nan 0.000 0.576 105 G N 1.018 109.802 108.800 -0.026 0.000 2.184 105 G HA2 -0.270 3.690 3.960 0.000 0.000 0.264 105 G HA3 -0.270 3.690 3.960 0.000 0.000 0.264 105 G C 0.093 174.953 174.900 -0.068 0.000 0.975 105 G CA 0.514 45.584 45.100 -0.050 0.000 0.642 105 G HN 0.529 nan 8.290 nan 0.000 0.536 106 Q N -1.615 118.123 119.800 -0.104 0.000 2.522 106 Q HA 0.662 5.002 4.340 0.000 0.000 0.285 106 Q C -0.506 175.482 176.000 -0.020 0.000 0.982 106 Q CA -0.581 55.166 55.803 -0.093 0.000 0.805 106 Q CB 1.833 30.467 28.738 -0.173 0.000 1.457 106 Q HN 1.590 nan 8.270 nan 0.000 0.394 107 G N 1.031 109.870 108.800 0.065 0.000 2.691 107 G HA2 0.486 4.446 3.960 0.000 0.000 0.298 107 G HA3 0.486 4.446 3.960 0.000 0.000 0.298 107 G C -2.091 172.894 174.900 0.141 0.000 1.471 107 G CA -0.606 44.584 45.100 0.151 0.000 0.912 107 G HN 0.427 nan 8.290 nan 0.000 0.553 108 Q N -0.200 119.703 119.800 0.172 0.000 2.304 108 Q HA 0.689 5.029 4.340 0.000 0.000 0.270 108 Q C -0.674 175.466 176.000 0.234 0.000 1.035 108 Q CA -0.740 55.175 55.803 0.187 0.000 0.781 108 Q CB 3.112 31.943 28.738 0.156 0.000 1.261 108 Q HN 0.523 nan 8.270 nan 0.000 0.444 109 V N 0.970 121.014 119.914 0.217 0.000 2.709 109 V HA 0.496 4.616 4.120 0.000 0.000 0.308 109 V C -0.317 175.803 176.094 0.044 0.000 1.062 109 V CA -0.930 61.459 62.300 0.148 0.000 0.901 109 V CB 2.261 34.115 31.823 0.051 0.000 1.003 109 V HN 0.803 nan 8.190 nan 0.000 0.425 110 S N 4.353 119.979 115.700 -0.123 0.000 2.525 110 S HA 0.198 4.668 4.470 0.000 0.000 0.285 110 S C -0.032 174.432 174.600 -0.226 0.000 1.283 110 S CA -0.329 57.586 58.200 -0.474 0.000 1.072 110 S CB -0.045 62.900 63.200 -0.425 0.000 0.867 110 S HN 0.637 nan 8.310 nan 0.000 0.492 111 L N 8.064 129.170 121.223 -0.196 0.000 2.562 111 L HA 0.213 4.553 4.340 0.000 0.000 0.271 111 L C -1.687 175.116 176.870 -0.112 0.000 1.167 111 L CA -1.458 53.310 54.840 -0.120 0.000 0.917 111 L CB 0.459 42.470 42.059 -0.080 0.000 1.187 111 L HN 0.574 nan 8.230 nan 0.000 0.482 112 P HA 0.069 nan 4.420 nan 0.000 0.266 112 P C -0.014 177.235 177.300 -0.084 0.000 1.195 112 P CA -0.166 62.856 63.100 -0.130 0.000 0.768 112 P CB 0.836 32.434 31.700 -0.171 0.000 0.838 113 G N 1.692 110.455 108.800 -0.061 0.000 2.666 113 G HA2 0.479 4.439 3.960 0.000 0.000 0.207 113 G HA3 0.479 4.439 3.960 0.000 0.000 0.207 113 G C 0.159 175.035 174.900 -0.040 0.000 1.481 113 G CA -0.395 44.690 45.100 -0.026 0.000 1.071 113 G HN 0.622 nan 8.290 nan 0.000 0.572 114 G N -0.880 107.906 108.800 -0.024 0.000 2.527 114 G HA2 0.409 4.369 3.960 0.000 0.000 0.248 114 G HA3 0.409 4.369 3.960 0.000 0.000 0.248 114 G C -0.043 174.831 174.900 -0.042 0.000 1.231 114 G CA 0.546 45.629 45.100 -0.028 0.000 0.838 114 G HN 0.677 nan 8.290 nan 0.000 0.570 115 S N -0.070 115.598 115.700 -0.054 0.000 2.621 115 S HA 0.576 5.046 4.470 0.000 0.000 0.302 115 S C 1.492 176.048 174.600 -0.073 0.000 1.093 115 S CA 0.188 58.341 58.200 -0.077 0.000 1.017 115 S CB 1.556 64.683 63.200 -0.121 0.000 1.077 115 S HN 1.115 nan 8.310 nan 0.000 0.517 116 A N 2.663 125.437 122.820 -0.076 0.000 1.908 116 A HA -0.041 4.279 4.320 0.000 0.000 0.218 116 A C 1.779 179.305 177.584 -0.096 0.000 1.181 116 A CA 1.925 53.920 52.037 -0.071 0.000 0.627 116 A CB -1.005 17.950 19.000 -0.075 0.000 0.818 116 A HN 1.046 nan 8.150 nan 0.000 0.445 117 I N -4.589 115.882 120.570 -0.166 0.000 3.875 117 I HA 0.539 4.709 4.170 0.000 0.000 0.329 117 I C 0.661 176.704 176.117 -0.123 0.000 1.295 117 I CA 0.303 61.492 61.300 -0.185 0.000 1.129 117 I CB -0.199 37.593 38.000 -0.347 0.000 1.008 117 I HN 0.281 nan 8.210 nan 0.000 0.413 118 G N 0.066 108.818 108.800 -0.079 0.000 2.325 118 G HA2 0.403 4.363 3.960 0.000 0.000 0.297 118 G HA3 0.403 4.363 3.960 0.000 0.000 0.297 118 G C 0.056 174.962 174.900 0.009 0.000 1.448 118 G CA -0.270 44.841 45.100 0.019 0.000 0.838 118 G HN 0.019 nan 8.290 nan 0.000 0.579 119 A N -0.134 122.703 122.820 0.030 0.000 1.969 119 A HA 0.232 4.553 4.320 0.000 0.000 0.218 119 A C 1.568 179.159 177.584 0.011 0.000 1.169 119 A CA 1.745 53.789 52.037 0.011 0.000 0.635 119 A CB -0.554 18.452 19.000 0.011 0.000 0.810 119 A HN 1.422 nan 8.150 nan 0.000 0.445 120 R N -0.965 119.569 120.500 0.056 0.000 3.092 120 R HA -0.129 4.211 4.340 0.000 0.000 0.245 120 R C -2.283 174.019 176.300 0.003 0.000 0.881 120 R CA 0.393 56.533 56.100 0.067 0.000 0.614 120 R CB -1.903 28.427 30.300 0.051 0.000 1.128 120 R HN 0.548 nan 8.270 nan 0.000 0.483 121 P HA 0.041 nan 4.420 nan 0.000 0.273 121 P C 0.580 177.859 177.300 -0.035 0.000 1.250 121 P CA -0.028 63.060 63.100 -0.021 0.000 0.793 121 P CB 0.737 32.436 31.700 -0.003 0.000 1.011 122 V N -3.405 116.467 119.914 -0.069 0.000 3.078 122 V HA 0.102 4.222 4.120 0.000 0.000 0.344 122 V C 1.371 177.498 176.094 0.055 0.000 1.409 122 V CA 0.069 62.294 62.300 -0.124 0.000 1.146 122 V CB -0.541 31.020 31.823 -0.436 0.000 1.126 122 V HN 0.494 nan 8.190 nan 0.000 0.513 123 D N 1.493 121.936 120.400 0.070 0.000 2.190 123 D HA -0.268 4.372 4.640 0.000 0.000 0.200 123 D C 1.719 178.128 176.300 0.180 0.000 0.992 123 D CA 1.671 55.729 54.000 0.097 0.000 0.854 123 D CB -0.060 40.767 40.800 0.046 0.000 0.936 123 D HN 0.552 nan 8.370 nan 0.000 0.462 124 L N -0.161 121.191 121.223 0.214 0.000 2.217 124 L HA -0.075 4.265 4.340 0.000 0.000 0.211 124 L C 2.699 179.742 176.870 0.290 0.000 1.107 124 L CA 0.802 55.787 54.840 0.241 0.000 0.783 124 L CB -0.566 41.584 42.059 0.152 0.000 0.919 124 L HN 0.131 nan 8.230 nan 0.000 0.442 125 H N -0.184 118.958 119.070 0.120 0.000 2.363 125 H HA -0.073 4.483 4.556 0.000 0.000 0.301 125 H C 2.435 177.825 175.328 0.104 0.000 1.074 125 H CA 1.294 57.408 56.048 0.110 0.000 1.354 125 H CB 0.241 30.049 29.762 0.076 0.000 1.397 125 H HN 0.299 nan 8.280 nan 0.000 0.516 126 I N 0.563 121.283 120.570 0.250 0.000 2.179 126 I HA -0.289 3.881 4.170 0.000 0.000 0.242 126 I C 2.510 178.725 176.117 0.164 0.000 1.088 126 I CA 1.099 62.498 61.300 0.163 0.000 1.357 126 I CB -0.309 37.768 38.000 0.129 0.000 1.051 126 I HN 0.092 nan 8.210 nan 0.000 0.409 127 F N 1.892 121.882 119.950 0.067 0.000 2.069 127 F HA -0.181 4.346 4.527 0.000 0.000 0.298 127 F C 2.312 178.137 175.800 0.042 0.000 1.113 127 F CA 1.791 59.819 58.000 0.046 0.000 1.214 127 F CB -0.988 38.035 39.000 0.039 0.000 0.978 127 F HN 0.003 nan 8.300 nan 0.000 0.474 128 G N 0.801 109.603 108.800 0.003 0.000 2.446 128 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 128 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 128 G C 1.808 176.633 174.900 -0.125 0.000 1.168 128 G CA 1.156 46.187 45.100 -0.115 0.000 0.771 128 G HN 0.452 nan 8.290 nan 0.000 0.551 129 L N 0.039 121.244 121.223 -0.031 0.000 2.083 129 L HA -0.060 4.280 4.340 0.000 0.000 0.209 129 L C 2.871 179.706 176.870 -0.059 0.000 1.083 129 L CA 1.201 56.029 54.840 -0.018 0.000 0.752 129 L CB -0.427 41.654 42.059 0.037 0.000 0.899 129 L HN 0.314 nan 8.230 nan 0.000 0.433 130 E N -0.082 120.065 120.200 -0.088 0.000 2.106 130 E HA -0.180 4.170 4.350 0.000 0.000 0.192 130 E C 2.114 178.618 176.600 -0.161 0.000 0.984 130 E CA 0.734 57.075 56.400 -0.098 0.000 0.806 130 E CB 0.100 29.755 29.700 -0.074 0.000 0.750 130 E HN 0.276 nan 8.360 nan 0.000 0.458 131 K N 0.492 120.717 120.400 -0.292 0.000 2.280 131 K HA -0.075 4.246 4.320 0.000 0.000 0.202 131 K C 1.865 178.376 176.600 -0.149 0.000 1.047 131 K CA 0.681 56.798 56.287 -0.282 0.000 0.942 131 K CB -0.015 32.221 32.500 -0.440 0.000 0.739 131 K HN 0.242 nan 8.250 nan 0.000 0.457 132 L N -0.413 120.741 121.223 -0.116 0.000 2.591 132 L HA 0.049 4.389 4.340 0.000 0.000 0.228 132 L C 1.156 177.995 176.870 -0.052 0.000 1.133 132 L CA 0.509 55.308 54.840 -0.068 0.000 0.880 132 L CB -0.055 41.974 42.059 -0.050 0.000 1.033 132 L HN 0.374 nan 8.230 nan 0.000 0.450 133 G N -0.380 108.386 108.800 -0.056 0.000 2.184 133 G HA2 -0.207 3.753 3.960 0.000 0.000 0.206 133 G HA3 -0.207 3.753 3.960 0.000 0.000 0.206 133 G C 0.356 175.240 174.900 -0.027 0.000 0.995 133 G CA -0.140 44.937 45.100 -0.038 0.000 0.651 133 G HN 0.420 nan 8.290 nan 0.000 0.511 134 A N 0.260 123.065 122.820 -0.024 0.000 2.388 134 A HA 0.637 4.957 4.320 0.000 0.000 0.257 134 A C 0.341 177.923 177.584 -0.004 0.000 1.095 134 A CA 0.561 52.593 52.037 -0.008 0.000 0.791 134 A CB 0.537 19.539 19.000 0.004 0.000 1.029 134 A HN 0.601 nan 8.150 nan 0.000 0.489 135 E N 2.164 122.366 120.200 0.004 0.000 2.174 135 E HA 0.455 4.805 4.350 0.000 0.000 0.282 135 E C -1.030 175.582 176.600 0.021 0.000 0.992 135 E CA -0.485 55.921 56.400 0.010 0.000 0.803 135 E CB 0.522 30.227 29.700 0.008 0.000 1.090 135 E HN 0.508 nan 8.360 nan 0.000 0.396 136 I N 4.205 124.792 120.570 0.028 0.000 2.433 136 I HA 0.377 4.547 4.170 0.000 0.000 0.292 136 I C -0.307 175.834 176.117 0.040 0.000 1.001 136 I CA -0.758 60.566 61.300 0.039 0.000 1.119 136 I CB 1.515 39.543 38.000 0.047 0.000 1.289 136 I HN 0.544 nan 8.210 nan 0.000 0.438 137 K N 4.981 125.408 120.400 0.045 0.000 2.435 137 K HA 0.642 4.962 4.320 0.000 0.000 0.251 137 K C -1.371 175.262 176.600 0.055 0.000 0.954 137 K CA -0.902 55.412 56.287 0.045 0.000 0.820 137 K CB 3.102 35.626 32.500 0.040 0.000 1.292 137 K HN 0.296 nan 8.250 nan 0.000 0.436 138 L N 2.329 123.582 121.223 0.051 0.000 2.319 138 L HA 0.337 4.677 4.340 0.000 0.000 0.281 138 L C -1.281 175.626 176.870 0.063 0.000 1.005 138 L CA 0.160 55.035 54.840 0.058 0.000 0.828 138 L CB 0.851 42.934 42.059 0.040 0.000 1.227 138 L HN 0.707 nan 8.230 nan 0.000 0.415 139 E N 3.411 123.666 120.200 0.092 0.000 2.274 139 E HA 0.402 4.752 4.350 0.000 0.000 0.269 139 E C -0.862 175.820 176.600 0.137 0.000 0.891 139 E CA -0.676 55.776 56.400 0.086 0.000 0.784 139 E CB 1.145 30.882 29.700 0.062 0.000 1.225 139 E HN 0.626 nan 8.360 nan 0.000 0.412 140 E N 1.566 121.829 120.200 0.104 0.000 2.513 140 E HA -0.284 4.066 4.350 0.000 0.000 0.257 140 E C 0.675 177.376 176.600 0.167 0.000 1.098 140 E CA 0.598 57.075 56.400 0.128 0.000 0.752 140 E CB -1.646 28.142 29.700 0.146 0.000 1.324 140 E HN 1.205 nan 8.360 nan 0.000 0.403 141 G N -1.028 107.814 108.800 0.070 0.000 2.179 141 G HA2 -0.364 3.596 3.960 0.000 0.000 0.260 141 G HA3 -0.364 3.596 3.960 0.000 0.000 0.260 141 G C -0.223 174.592 174.900 -0.141 0.000 0.977 141 G CA 0.626 45.700 45.100 -0.045 0.000 0.641 141 G HN 0.319 nan 8.290 nan 0.000 0.533 142 Y N -0.492 119.824 120.300 0.026 0.000 2.331 142 Y HA 0.534 5.084 4.550 0.000 0.000 0.338 142 Y C 0.553 176.470 175.900 0.028 0.000 0.992 142 Y CA -0.584 57.536 58.100 0.034 0.000 1.121 142 Y CB 2.082 40.565 38.460 0.037 0.000 1.184 142 Y HN 0.288 nan 8.280 nan 0.000 0.469 143 V N 5.671 125.661 119.914 0.126 0.000 2.408 143 V HA 0.356 4.476 4.120 0.000 0.000 0.267 143 V C -0.721 175.447 176.094 0.122 0.000 1.047 143 V CA -0.554 61.801 62.300 0.092 0.000 0.937 143 V CB 0.093 31.941 31.823 0.043 0.000 0.999 143 V HN 0.709 nan 8.190 nan 0.000 0.472 144 K N 6.531 126.994 120.400 0.106 0.000 2.293 144 K HA 0.753 5.073 4.320 0.000 0.000 0.267 144 K C -0.341 176.300 176.600 0.067 0.000 1.010 144 K CA -0.268 56.075 56.287 0.093 0.000 0.875 144 K CB 1.942 34.490 32.500 0.079 0.000 1.106 144 K HN 0.839 nan 8.250 nan 0.000 0.450 145 A N 1.988 124.848 122.820 0.067 0.000 2.324 145 A HA 0.716 5.036 4.320 0.000 0.000 0.330 145 A C -0.471 177.133 177.584 0.033 0.000 1.165 145 A CA -0.564 51.504 52.037 0.051 0.000 0.813 145 A CB 0.993 20.030 19.000 0.060 0.000 1.197 145 A HN 0.711 nan 8.150 nan 0.000 0.484 146 S N 0.047 115.759 115.700 0.019 0.000 2.547 146 S HA 0.720 5.191 4.470 0.000 0.000 0.270 146 S C -1.317 173.281 174.600 -0.003 0.000 1.150 146 S CA -0.441 57.760 58.200 0.002 0.000 0.850 146 S CB 1.224 64.423 63.200 -0.001 0.000 1.118 146 S HN 2.113 nan 8.310 nan 0.000 0.461 147 V N 1.229 121.136 119.914 -0.013 0.000 2.969 147 V HA 0.624 4.744 4.120 0.000 0.000 0.304 147 V C -1.648 174.434 176.094 -0.020 0.000 1.192 147 V CA -0.715 61.576 62.300 -0.015 0.000 0.962 147 V CB 2.222 34.035 31.823 -0.016 0.000 1.045 147 V HN 1.077 nan 8.190 nan 0.000 0.428 148 N N 4.088 122.777 118.700 -0.018 0.000 2.439 148 N HA 0.634 5.374 4.740 0.000 0.000 0.243 148 N C 0.276 175.774 175.510 -0.021 0.000 1.088 148 N CA 1.526 54.566 53.050 -0.018 0.000 0.940 148 N CB 0.993 39.473 38.487 -0.013 0.000 1.180 148 N HN 1.424 nan 8.380 nan 0.000 0.505 149 G N 2.319 111.104 108.800 -0.025 0.000 2.527 149 G HA2 -0.236 3.724 3.960 0.000 0.000 0.227 149 G HA3 -0.236 3.724 3.960 0.000 0.000 0.227 149 G C -0.690 174.189 174.900 -0.034 0.000 1.291 149 G CA -0.716 44.367 45.100 -0.028 0.000 0.904 149 G HN 0.596 nan 8.290 nan 0.000 0.577 150 R N -0.353 120.126 120.500 -0.035 0.000 2.500 150 R HA 0.558 4.898 4.340 0.000 0.000 0.275 150 R C 0.757 177.037 176.300 -0.034 0.000 1.051 150 R CA -0.636 55.440 56.100 -0.040 0.000 1.088 150 R CB 0.656 30.930 30.300 -0.042 0.000 1.063 150 R HN 0.469 nan 8.270 nan 0.000 0.511 151 L N 1.824 123.026 121.223 -0.034 0.000 2.476 151 L HA 0.147 4.487 4.340 0.000 0.000 0.264 151 L C 0.484 177.335 176.870 -0.032 0.000 1.224 151 L CA 0.384 55.206 54.840 -0.030 0.000 0.821 151 L CB 0.190 42.232 42.059 -0.028 0.000 1.101 151 L HN 0.366 nan 8.230 nan 0.000 0.488 152 K N 0.430 120.811 120.400 -0.032 0.000 2.345 152 K HA 0.378 4.698 4.320 0.000 0.000 0.255 152 K C -0.174 176.408 176.600 -0.031 0.000 0.934 152 K CA -0.686 55.583 56.287 -0.030 0.000 0.801 152 K CB 1.837 34.321 32.500 -0.026 0.000 1.137 152 K HN 0.718 nan 8.250 nan 0.000 0.424 153 G N 1.202 109.984 108.800 -0.030 0.000 2.474 153 G HA2 0.359 4.319 3.960 0.000 0.000 0.233 153 G HA3 0.359 4.319 3.960 0.000 0.000 0.233 153 G C -0.567 174.320 174.900 -0.022 0.000 1.278 153 G CA -0.046 45.037 45.100 -0.030 0.000 0.861 153 G HN 0.635 nan 8.290 nan 0.000 0.567 154 A N 1.070 123.881 122.820 -0.015 0.000 2.610 154 A HA 0.647 4.967 4.320 0.000 0.000 0.291 154 A C -0.989 176.631 177.584 0.060 0.000 1.086 154 A CA -0.714 51.330 52.037 0.011 0.000 0.677 154 A CB 0.993 19.982 19.000 -0.018 0.000 1.278 154 A HN 0.975 nan 8.150 nan 0.000 0.414 155 H N 0.687 119.744 119.070 -0.021 0.000 2.652 155 H HA 0.638 5.194 4.556 0.000 0.000 0.298 155 H C -0.942 174.388 175.328 0.004 0.000 1.076 155 H CA -0.429 55.616 56.048 -0.006 0.000 1.360 155 H CB 0.270 30.032 29.762 0.002 0.000 1.421 155 H HN 0.478 nan 8.280 nan 0.000 0.464 156 I N 6.106 126.833 120.570 0.262 0.000 2.406 156 I HA 0.192 4.362 4.170 0.000 0.000 0.290 156 I C -0.643 175.578 176.117 0.174 0.000 0.999 156 I CA -1.042 60.350 61.300 0.154 0.000 1.124 156 I CB 1.952 40.005 38.000 0.088 0.000 1.289 156 I HN 0.300 nan 8.210 nan 0.000 0.441 157 V N 6.462 126.462 119.914 0.144 0.000 2.347 157 V HA 0.346 4.466 4.120 0.000 0.000 0.280 157 V C 0.367 176.533 176.094 0.120 0.000 1.021 157 V CA -0.618 61.738 62.300 0.094 0.000 0.847 157 V CB 1.383 33.213 31.823 0.012 0.000 0.990 157 V HN 0.607 nan 8.190 nan 0.000 0.444 158 M N 3.205 122.859 119.600 0.090 0.000 2.184 158 M HA 0.239 4.719 4.480 0.000 0.000 0.351 158 M C 0.720 177.018 176.300 -0.003 0.000 1.395 158 M CA -0.094 55.243 55.300 0.061 0.000 1.117 158 M CB 0.465 33.099 32.600 0.056 0.000 1.708 158 M HN 0.514 nan 8.290 nan 0.000 0.468 159 D N 2.204 122.569 120.400 -0.059 0.000 2.378 159 D HA 0.007 4.647 4.640 0.000 0.000 0.222 159 D C 0.510 176.777 176.300 -0.055 0.000 0.980 159 D CA 1.124 55.075 54.000 -0.082 0.000 0.907 159 D CB 0.429 41.141 40.800 -0.148 0.000 0.899 159 D HN 0.497 nan 8.370 nan 0.000 0.527 160 K N -0.645 119.734 120.400 -0.035 0.000 2.568 160 K HA 0.279 4.599 4.320 0.000 0.000 0.273 160 K C -1.481 175.110 176.600 -0.015 0.000 0.951 160 K CA -0.643 55.626 56.287 -0.030 0.000 0.854 160 K CB 2.132 34.610 32.500 -0.037 0.000 1.424 160 K HN -0.354 nan 8.250 nan 0.000 0.427 161 V N 2.396 122.299 119.914 -0.018 0.000 2.439 161 V HA 0.231 4.351 4.120 0.000 0.000 0.271 161 V C -0.127 175.964 176.094 -0.006 0.000 1.040 161 V CA 0.010 62.306 62.300 -0.007 0.000 1.002 161 V CB 0.866 32.684 31.823 -0.008 0.000 1.000 161 V HN 0.643 nan 8.190 nan 0.000 0.477 162 S N 4.229 119.936 115.700 0.010 0.000 2.707 162 S HA 0.387 4.857 4.470 0.000 0.000 0.303 162 S C 0.549 175.177 174.600 0.047 0.000 1.132 162 S CA -0.613 57.603 58.200 0.026 0.000 1.046 162 S CB 1.818 65.034 63.200 0.027 0.000 1.004 162 S HN 0.327 nan 8.310 nan 0.000 0.483 163 V N 5.454 125.420 119.914 0.087 0.000 2.261 163 V HA -0.046 4.075 4.120 0.000 0.000 0.246 163 V C 2.675 178.898 176.094 0.216 0.000 1.047 163 V CA 2.650 65.029 62.300 0.133 0.000 1.015 163 V CB -1.224 30.700 31.823 0.169 0.000 0.642 163 V HN 0.947 nan 8.190 nan 0.000 0.446 164 G N -0.555 108.421 108.800 0.293 0.000 2.421 164 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 164 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 164 G C 1.769 176.694 174.900 0.042 0.000 1.171 164 G CA 1.080 46.467 45.100 0.478 0.000 0.775 164 G HN 0.620 nan 8.290 nan 0.000 0.543 165 A N 0.126 122.660 122.820 -0.477 0.000 1.933 165 A HA 0.006 4.326 4.320 0.000 0.000 0.218 165 A C 2.521 179.991 177.584 -0.189 0.000 1.175 165 A CA 2.408 54.037 52.037 -0.681 0.000 0.628 165 A CB -0.897 17.886 19.000 -0.362 0.000 0.814 165 A HN 0.305 nan 8.150 nan 0.000 0.444 166 T N -0.344 114.172 114.554 -0.064 0.000 2.746 166 T HA -0.130 4.220 4.350 0.000 0.000 0.267 166 T C 1.873 176.558 174.700 -0.024 0.000 1.039 166 T CA 1.614 63.703 62.100 -0.019 0.000 1.142 166 T CB -0.428 68.443 68.868 0.005 0.000 0.866 166 T HN 0.156 nan 8.240 nan 0.000 0.444 167 V N 1.334 121.242 119.914 -0.009 0.000 2.295 167 V HA -0.196 3.924 4.120 0.000 0.000 0.246 167 V C 2.808 178.864 176.094 -0.062 0.000 1.049 167 V CA 2.024 64.261 62.300 -0.105 0.000 1.024 167 V CB -1.071 30.551 31.823 -0.335 0.000 0.648 167 V HN 0.518 nan 8.190 nan 0.000 0.447 168 T N 0.284 114.879 114.554 0.068 0.000 2.684 168 T HA -0.152 4.198 4.350 0.000 0.000 0.267 168 T C 1.774 176.505 174.700 0.051 0.000 1.036 168 T CA 1.989 64.167 62.100 0.130 0.000 1.148 168 T CB -0.272 68.731 68.868 0.225 0.000 0.863 168 T HN 0.356 nan 8.240 nan 0.000 0.436 169 I N 0.674 121.251 120.570 0.012 0.000 2.202 169 I HA -0.142 4.028 4.170 0.000 0.000 0.242 169 I C 2.587 178.698 176.117 -0.009 0.000 1.091 169 I CA 1.231 62.533 61.300 0.003 0.000 1.368 169 I CB -0.412 37.587 38.000 -0.001 0.000 1.058 169 I HN 0.259 nan 8.210 nan 0.000 0.410 170 M N 0.459 120.047 119.600 -0.020 0.000 2.117 170 M HA -0.204 4.276 4.480 0.000 0.000 0.262 170 M C 2.403 178.683 176.300 -0.034 0.000 1.065 170 M CA 1.865 57.147 55.300 -0.031 0.000 1.114 170 M CB -0.006 32.570 32.600 -0.041 0.000 1.361 170 M HN 0.117 nan 8.290 nan 0.000 0.408 171 S N 0.830 116.511 115.700 -0.031 0.000 2.345 171 S HA -0.053 4.417 4.470 0.000 0.000 0.220 171 S C 2.048 176.645 174.600 -0.005 0.000 1.031 171 S CA 1.327 59.515 58.200 -0.021 0.000 0.996 171 S CB -0.561 62.632 63.200 -0.012 0.000 0.882 171 S HN 0.695 nan 8.310 nan 0.000 0.445 172 A N 1.544 124.371 122.820 0.010 0.000 1.933 172 A HA 0.124 4.444 4.320 0.000 0.000 0.218 172 A C 2.317 179.893 177.584 -0.013 0.000 1.175 172 A CA 1.640 53.684 52.037 0.011 0.000 0.628 172 A CB -1.008 18.007 19.000 0.026 0.000 0.814 172 A HN 0.512 nan 8.150 nan 0.000 0.444 173 A N -0.034 122.774 122.820 -0.020 0.000 2.019 173 A HA -0.100 4.220 4.320 0.000 0.000 0.219 173 A C 2.350 179.910 177.584 -0.040 0.000 1.164 173 A CA 2.333 54.352 52.037 -0.031 0.000 0.644 173 A CB -1.451 17.530 19.000 -0.031 0.000 0.805 173 A HN 0.832 nan 8.150 nan 0.000 0.449 174 T N -1.939 112.589 114.554 -0.044 0.000 2.897 174 T HA -0.061 4.289 4.350 0.000 0.000 0.271 174 T C 1.298 175.962 174.700 -0.059 0.000 1.084 174 T CA 1.558 63.624 62.100 -0.057 0.000 1.123 174 T CB -0.362 68.464 68.868 -0.070 0.000 0.865 174 T HN 0.343 nan 8.240 nan 0.000 0.496 175 L N 0.235 121.425 121.223 -0.054 0.000 2.808 175 L HA 0.543 4.883 4.340 0.000 0.000 0.246 175 L C 1.390 178.229 176.870 -0.053 0.000 1.153 175 L CA -0.528 54.276 54.840 -0.060 0.000 0.956 175 L CB -0.215 41.801 42.059 -0.073 0.000 1.270 175 L HN 0.292 nan 8.230 nan 0.000 0.528 176 A N 0.339 123.132 122.820 -0.045 0.000 2.296 176 A HA 0.216 4.536 4.320 0.000 0.000 0.264 176 A C 0.113 177.673 177.584 -0.040 0.000 1.097 176 A CA -0.191 51.822 52.037 -0.040 0.000 0.811 176 A CB 0.359 19.337 19.000 -0.036 0.000 1.072 176 A HN 0.241 nan 8.150 nan 0.000 0.495 177 E N -0.234 119.945 120.200 -0.036 0.000 2.130 177 E HA 0.461 4.811 4.350 0.000 0.000 0.284 177 E C 0.559 177.140 176.600 -0.031 0.000 1.018 177 E CA 0.809 57.189 56.400 -0.033 0.000 0.817 177 E CB 0.300 29.982 29.700 -0.030 0.000 1.078 177 E HN 1.338 nan 8.360 nan 0.000 0.396 178 G N 2.856 111.637 108.800 -0.032 0.000 2.548 178 G HA2 -0.197 3.763 3.960 0.000 0.000 0.208 178 G HA3 -0.197 3.763 3.960 0.000 0.000 0.208 178 G C -0.487 174.391 174.900 -0.036 0.000 1.308 178 G CA -0.511 44.570 45.100 -0.032 0.000 0.924 178 G HN 0.499 nan 8.290 nan 0.000 0.540 179 T N 1.176 115.707 114.554 -0.038 0.000 2.829 179 T HA 0.677 5.027 4.350 0.000 0.000 0.282 179 T C 0.030 174.699 174.700 -0.051 0.000 0.990 179 T CA 0.365 62.436 62.100 -0.048 0.000 1.028 179 T CB 1.485 70.320 68.868 -0.055 0.000 0.951 179 T HN 0.742 nan 8.240 nan 0.000 0.460 180 T N 3.610 118.131 114.554 -0.055 0.000 2.829 180 T HA 0.629 4.979 4.350 0.000 0.000 0.280 180 T C -0.372 174.286 174.700 -0.070 0.000 0.999 180 T CA -0.503 61.567 62.100 -0.049 0.000 0.983 180 T CB 0.678 69.524 68.868 -0.036 0.000 0.968 180 T HN 0.410 nan 8.240 nan 0.000 0.446 181 I N 3.473 123.994 120.570 -0.082 0.000 2.466 181 I HA 0.463 4.633 4.170 0.000 0.000 0.289 181 I C -0.648 175.477 176.117 0.013 0.000 1.026 181 I CA -0.829 60.401 61.300 -0.117 0.000 1.078 181 I CB 1.886 39.645 38.000 -0.403 0.000 1.249 181 I HN 0.472 nan 8.210 nan 0.000 0.429 182 I N 5.787 126.370 120.570 0.022 0.000 2.330 182 I HA 0.254 4.424 4.170 0.000 0.000 0.286 182 I C 0.086 176.251 176.117 0.081 0.000 1.025 182 I CA -0.514 60.824 61.300 0.064 0.000 1.197 182 I CB 0.877 38.897 38.000 0.033 0.000 1.358 182 I HN 0.458 nan 8.210 nan 0.000 0.467 183 E N 5.111 125.392 120.200 0.134 0.000 2.283 183 E HA 0.114 4.464 4.350 0.000 0.000 0.278 183 E C 0.156 176.800 176.600 0.074 0.000 1.027 183 E CA -0.184 56.288 56.400 0.119 0.000 0.843 183 E CB 1.120 30.916 29.700 0.159 0.000 1.062 183 E HN 0.553 nan 8.360 nan 0.000 0.401 184 N N 0.960 119.691 118.700 0.052 0.000 2.780 184 N HA -0.212 4.528 4.740 0.000 0.000 0.248 184 N C -1.084 174.445 175.510 0.032 0.000 1.102 184 N CA 0.810 53.880 53.050 0.034 0.000 0.697 184 N CB -0.967 37.535 38.487 0.026 0.000 1.028 184 N HN 0.538 nan 8.380 nan 0.000 0.554 185 A N -0.118 122.722 122.820 0.034 0.000 2.346 185 A HA 0.686 5.006 4.320 0.000 0.000 0.252 185 A C 0.959 178.559 177.584 0.027 0.000 1.089 185 A CA 0.202 52.256 52.037 0.028 0.000 0.797 185 A CB 0.204 19.218 19.000 0.023 0.000 1.047 185 A HN 0.887 nan 8.150 nan 0.000 0.494 186 A N 0.324 123.160 122.820 0.027 0.000 2.425 186 A HA 0.498 4.818 4.320 0.000 0.000 0.249 186 A C 0.733 178.342 177.584 0.040 0.000 1.084 186 A CA -0.235 51.823 52.037 0.035 0.000 0.781 186 A CB 0.059 19.083 19.000 0.040 0.000 1.019 186 A HN 0.769 nan 8.150 nan 0.000 0.490 187 R N 0.399 120.938 120.500 0.065 0.000 2.397 187 R HA 0.174 4.514 4.340 0.000 0.000 0.241 187 R C -0.369 175.996 176.300 0.108 0.000 0.914 187 R CA -0.108 56.046 56.100 0.090 0.000 1.071 187 R CB 0.114 30.480 30.300 0.111 0.000 1.116 187 R HN 0.778 nan 8.270 nan 0.000 0.524 188 E N 1.170 121.399 120.200 0.047 0.000 2.508 188 E HA -0.064 4.286 4.350 0.000 0.000 0.266 188 E C -1.620 174.867 176.600 -0.188 0.000 1.010 188 E CA -0.891 55.436 56.400 -0.122 0.000 0.955 188 E CB 0.385 30.048 29.700 -0.062 0.000 0.946 188 E HN -0.071 nan 8.360 nan 0.000 0.454 189 P HA -0.162 nan 4.420 nan 0.000 0.218 189 P C 0.263 177.501 177.300 -0.104 0.000 1.146 189 P CA 1.173 64.147 63.100 -0.209 0.000 0.813 189 P CB 0.289 31.837 31.700 -0.255 0.000 0.778 190 E N -1.162 118.978 120.200 -0.100 0.000 2.204 190 E HA -0.100 4.250 4.350 0.000 0.000 0.194 190 E C 1.878 178.443 176.600 -0.059 0.000 0.989 190 E CA 0.687 57.052 56.400 -0.059 0.000 0.824 190 E CB -0.725 28.951 29.700 -0.040 0.000 0.756 190 E HN 0.198 nan 8.360 nan 0.000 0.477 191 I N 0.071 120.609 120.570 -0.052 0.000 2.233 191 I HA -0.177 3.993 4.170 0.000 0.000 0.243 191 I C 2.111 178.205 176.117 -0.039 0.000 1.093 191 I CA 0.806 62.078 61.300 -0.047 0.000 1.380 191 I CB -0.995 36.992 38.000 -0.023 0.000 1.067 191 I HN 0.012 nan 8.210 nan 0.000 0.413 192 V N 1.181 121.080 119.914 -0.025 0.000 2.287 192 V HA -0.321 3.799 4.120 0.000 0.000 0.248 192 V C 2.316 178.416 176.094 0.010 0.000 1.053 192 V CA 2.315 64.612 62.300 -0.006 0.000 1.027 192 V CB -0.715 31.110 31.823 0.004 0.000 0.646 192 V HN 0.316 nan 8.190 nan 0.000 0.447 193 D N -0.463 119.951 120.400 0.022 0.000 2.144 193 D HA -0.141 4.499 4.640 0.000 0.000 0.199 193 D C 2.258 178.548 176.300 -0.016 0.000 0.984 193 D CA 1.733 55.785 54.000 0.087 0.000 0.834 193 D CB -0.128 40.735 40.800 0.104 0.000 0.955 193 D HN 0.420 nan 8.370 nan 0.000 0.465 194 T N -0.444 114.074 114.554 -0.061 0.000 2.777 194 T HA -0.075 4.275 4.350 0.000 0.000 0.266 194 T C 1.920 176.577 174.700 -0.071 0.000 1.040 194 T CA 1.317 63.365 62.100 -0.087 0.000 1.141 194 T CB -0.404 68.385 68.868 -0.132 0.000 0.868 194 T HN 0.209 nan 8.240 nan 0.000 0.444 195 A N 2.585 125.362 122.820 -0.071 0.000 1.883 195 A HA -0.172 4.148 4.320 0.000 0.000 0.217 195 A C 2.232 179.754 177.584 -0.103 0.000 1.186 195 A CA 1.596 53.588 52.037 -0.074 0.000 0.624 195 A CB -0.673 18.298 19.000 -0.049 0.000 0.822 195 A HN 0.383 nan 8.150 nan 0.000 0.444 196 N N -1.038 117.610 118.700 -0.088 0.000 2.223 196 N HA -0.125 4.615 4.740 0.000 0.000 0.185 196 N C 1.357 176.680 175.510 -0.313 0.000 1.016 196 N CA 1.421 54.421 53.050 -0.084 0.000 0.863 196 N CB -0.586 37.966 38.487 0.107 0.000 0.983 196 N HN 0.574 nan 8.380 nan 0.000 0.429 197 F N 1.608 121.092 119.950 -0.778 0.000 2.146 197 F HA 0.007 4.534 4.527 0.000 0.000 0.298 197 F C 1.941 177.493 175.800 -0.414 0.000 1.096 197 F CA 0.944 58.349 58.000 -0.992 0.000 1.275 197 F CB -0.430 38.024 39.000 -0.909 0.000 1.008 197 F HN -0.091 nan 8.300 nan 0.000 0.480 198 L N -0.513 120.430 121.223 -0.467 0.000 2.083 198 L HA -0.198 4.142 4.340 0.000 0.000 0.209 198 L C 2.381 179.045 176.870 -0.343 0.000 1.083 198 L CA 0.878 55.455 54.840 -0.439 0.000 0.752 198 L CB -0.832 41.105 42.059 -0.203 0.000 0.899 198 L HN 0.029 nan 8.230 nan 0.000 0.433 199 V N 0.081 119.847 119.914 -0.247 0.000 2.427 199 V HA -0.259 3.861 4.120 0.000 0.000 0.248 199 V C 2.704 178.699 176.094 -0.165 0.000 1.051 199 V CA 1.708 63.911 62.300 -0.161 0.000 1.048 199 V CB -0.785 30.981 31.823 -0.095 0.000 0.666 199 V HN 0.483 nan 8.190 nan 0.000 0.456 200 A N -0.457 122.239 122.820 -0.206 0.000 2.070 200 A HA -0.066 4.254 4.320 0.000 0.000 0.220 200 A C 2.063 179.530 177.584 -0.196 0.000 1.159 200 A CA 1.311 53.263 52.037 -0.140 0.000 0.656 200 A CB -0.418 18.552 19.000 -0.050 0.000 0.800 200 A HN 0.547 nan 8.150 nan 0.000 0.453 201 L N -1.865 119.162 121.223 -0.327 0.000 2.558 201 L HA 0.210 4.550 4.340 0.000 0.000 0.225 201 L C 1.603 178.367 176.870 -0.176 0.000 1.128 201 L CA 0.637 55.308 54.840 -0.282 0.000 0.868 201 L CB -0.029 41.785 42.059 -0.409 0.000 1.006 201 L HN 0.570 nan 8.230 nan 0.000 0.454 202 G N -0.430 108.277 108.800 -0.155 0.000 2.183 202 G HA2 -0.141 3.819 3.960 0.000 0.000 0.168 202 G HA3 -0.141 3.819 3.960 0.000 0.000 0.168 202 G C 0.303 175.140 174.900 -0.104 0.000 1.008 202 G CA -0.186 44.849 45.100 -0.107 0.000 0.677 202 G HN 0.388 nan 8.290 nan 0.000 0.498 203 A N 0.066 122.808 122.820 -0.130 0.000 2.332 203 A HA 0.704 5.025 4.320 0.000 0.000 0.258 203 A C 0.402 177.934 177.584 -0.087 0.000 1.087 203 A CA 0.212 52.182 52.037 -0.110 0.000 0.802 203 A CB 0.436 19.357 19.000 -0.131 0.000 1.042 203 A HN 0.338 nan 8.150 nan 0.000 0.489 204 K N 1.147 121.503 120.400 -0.072 0.000 2.464 204 K HA 0.585 4.905 4.320 0.000 0.000 0.252 204 K C -1.437 175.129 176.600 -0.056 0.000 1.000 204 K CA 0.304 56.556 56.287 -0.058 0.000 0.951 204 K CB 1.004 33.473 32.500 -0.050 0.000 1.183 204 K HN 0.585 nan 8.250 nan 0.000 0.445 205 I N 1.432 121.970 120.570 -0.053 0.000 2.686 205 I HA 0.333 4.503 4.170 0.000 0.000 0.295 205 I C -0.424 175.671 176.117 -0.038 0.000 1.114 205 I CA -0.753 60.518 61.300 -0.048 0.000 1.038 205 I CB 2.358 40.325 38.000 -0.055 0.000 1.238 205 I HN 0.559 nan 8.210 nan 0.000 0.420 206 S N 2.100 117.781 115.700 -0.033 0.000 2.579 206 S HA 0.816 5.286 4.470 0.000 0.000 0.272 206 S C 0.171 174.758 174.600 -0.022 0.000 1.141 206 S CA -0.010 58.175 58.200 -0.025 0.000 0.843 206 S CB 2.020 65.205 63.200 -0.025 0.000 1.122 206 S HN 1.387 nan 8.310 nan 0.000 0.468 207 G N 0.805 109.597 108.800 -0.014 0.000 2.195 207 G HA2 -0.241 3.719 3.960 0.000 0.000 0.246 207 G HA3 -0.241 3.719 3.960 0.000 0.000 0.246 207 G C 0.110 175.008 174.900 -0.003 0.000 0.984 207 G CA 0.112 45.207 45.100 -0.008 0.000 0.633 207 G HN 1.297 nan 8.290 nan 0.000 0.525 208 Q N 0.377 120.173 119.800 -0.006 0.000 2.263 208 Q HA 0.393 4.733 4.340 0.000 0.000 0.289 208 Q C 1.143 177.149 176.000 0.010 0.000 1.061 208 Q CA 1.115 56.917 55.803 -0.002 0.000 0.927 208 Q CB 0.912 29.644 28.738 -0.009 0.000 1.154 208 Q HN 1.801 nan 8.270 nan 0.000 0.378 209 G N 2.458 111.270 108.800 0.019 0.000 2.278 209 G HA2 -0.270 3.691 3.960 0.000 0.000 0.210 209 G HA3 -0.270 3.691 3.960 0.000 0.000 0.210 209 G C 0.267 175.192 174.900 0.041 0.000 1.000 209 G CA 0.173 45.295 45.100 0.038 0.000 0.635 209 G HN 1.092 nan 8.290 nan 0.000 0.495 210 T N -1.184 113.385 114.554 0.025 0.000 2.922 210 T HA 0.547 4.897 4.350 0.000 0.000 0.281 210 T C 0.818 175.531 174.700 0.022 0.000 1.005 210 T CA 0.655 62.768 62.100 0.021 0.000 0.982 210 T CB 1.645 70.521 68.868 0.013 0.000 1.158 210 T HN 0.224 nan 8.240 nan 0.000 0.566 211 D N -1.194 119.218 120.400 0.020 0.000 2.336 211 D HA 0.061 4.701 4.640 0.000 0.000 0.229 211 D C 0.619 176.934 176.300 0.026 0.000 1.061 211 D CA -0.070 53.943 54.000 0.023 0.000 0.875 211 D CB -0.039 40.773 40.800 0.020 0.000 0.904 211 D HN 0.553 nan 8.370 nan 0.000 0.525 212 R N 0.833 121.345 120.500 0.020 0.000 2.507 212 R HA 0.435 4.775 4.340 0.000 0.000 0.298 212 R C -1.424 174.877 176.300 0.001 0.000 1.087 212 R CA -0.598 55.513 56.100 0.018 0.000 0.917 212 R CB 0.615 30.925 30.300 0.017 0.000 1.173 212 R HN 0.039 nan 8.270 nan 0.000 0.472 213 I N 3.184 123.753 120.570 -0.002 0.000 2.412 213 I HA 0.315 4.485 4.170 0.000 0.000 0.296 213 I C -0.210 175.888 176.117 -0.032 0.000 0.987 213 I CA -0.731 60.560 61.300 -0.015 0.000 1.180 213 I CB 2.339 40.332 38.000 -0.012 0.000 1.340 213 I HN 0.499 nan 8.210 nan 0.000 0.455 214 T N 6.935 121.465 114.554 -0.040 0.000 2.791 214 T HA 0.602 4.952 4.350 0.000 0.000 0.288 214 T C -0.391 174.279 174.700 -0.050 0.000 0.999 214 T CA -0.320 61.747 62.100 -0.055 0.000 0.952 214 T CB 0.917 69.749 68.868 -0.061 0.000 0.938 214 T HN 0.164 nan 8.240 nan 0.000 0.444 215 I N 2.516 123.056 120.570 -0.051 0.000 2.433 215 I HA 0.383 4.553 4.170 0.000 0.000 0.292 215 I C 0.274 176.361 176.117 -0.050 0.000 1.001 215 I CA -0.585 60.686 61.300 -0.049 0.000 1.119 215 I CB 1.827 39.799 38.000 -0.046 0.000 1.289 215 I HN 0.540 nan 8.210 nan 0.000 0.438 216 E N 4.429 124.599 120.200 -0.049 0.000 2.114 216 E HA 0.525 4.875 4.350 0.000 0.000 0.266 216 E C 0.075 176.646 176.600 -0.047 0.000 0.896 216 E CA -0.640 55.732 56.400 -0.046 0.000 0.750 216 E CB 1.100 30.774 29.700 -0.043 0.000 1.121 216 E HN 0.843 nan 8.360 nan 0.000 0.413 217 G N 2.371 111.143 108.800 -0.046 0.000 2.559 217 G HA2 0.296 4.256 3.960 0.000 0.000 0.235 217 G HA3 0.296 4.256 3.960 0.000 0.000 0.235 217 G C 0.035 174.906 174.900 -0.048 0.000 1.266 217 G CA 0.039 45.111 45.100 -0.048 0.000 0.847 217 G HN 0.431 nan 8.290 nan 0.000 0.583 218 V N -0.706 119.176 119.914 -0.053 0.000 3.126 218 V HA 0.563 4.683 4.120 0.000 0.000 0.314 218 V C 0.863 176.925 176.094 -0.055 0.000 1.138 218 V CA -0.768 61.501 62.300 -0.052 0.000 1.034 218 V CB 1.914 33.703 31.823 -0.057 0.000 1.075 218 V HN 0.776 nan 8.190 nan 0.000 0.442 219 E N 0.983 121.153 120.200 -0.051 0.000 2.110 219 E HA -0.013 4.338 4.350 0.000 0.000 0.193 219 E C 0.495 177.056 176.600 -0.066 0.000 0.988 219 E CA 1.710 58.078 56.400 -0.054 0.000 0.804 219 E CB 0.118 29.791 29.700 -0.045 0.000 0.745 219 E HN 0.750 nan 8.360 nan 0.000 0.458 220 R N -1.058 119.402 120.500 -0.066 0.000 2.712 220 R HA 0.466 4.806 4.340 0.000 0.000 0.272 220 R C -1.490 174.765 176.300 -0.074 0.000 1.032 220 R CA -0.776 55.279 56.100 -0.075 0.000 0.874 220 R CB 0.769 31.027 30.300 -0.069 0.000 1.256 220 R HN -0.138 nan 8.270 nan 0.000 0.468 221 L N 0.733 121.908 121.223 -0.080 0.000 2.334 221 L HA 0.623 4.963 4.340 0.000 0.000 0.276 221 L C 0.687 177.515 176.870 -0.070 0.000 1.014 221 L CA -0.690 54.096 54.840 -0.089 0.000 0.815 221 L CB 2.000 43.990 42.059 -0.114 0.000 1.268 221 L HN 0.980 nan 8.230 nan 0.000 0.428 222 G N 0.851 109.607 108.800 -0.072 0.000 3.137 222 G HA2 0.632 4.592 3.960 0.000 0.000 0.163 222 G HA3 0.632 4.592 3.960 0.000 0.000 0.163 222 G C -0.037 174.840 174.900 -0.038 0.000 1.602 222 G CA 0.283 45.356 45.100 -0.044 0.000 1.067 222 G HN 0.755 nan 8.290 nan 0.000 0.568 223 G N -3.017 105.770 108.800 -0.022 0.000 3.176 223 G HA2 0.730 4.690 3.960 0.000 0.000 0.272 223 G HA3 0.730 4.690 3.960 0.000 0.000 0.272 223 G C -0.298 174.605 174.900 0.004 0.000 1.349 223 G CA 0.090 45.193 45.100 0.006 0.000 0.953 223 G HN 1.830 nan 8.290 nan 0.000 0.559 224 G N -2.655 106.178 108.800 0.054 0.000 2.352 224 G HA2 0.504 4.465 3.960 0.000 0.000 0.283 224 G HA3 0.504 4.465 3.960 0.000 0.000 0.283 224 G C -1.938 173.034 174.900 0.120 0.000 1.308 224 G CA 0.153 45.294 45.100 0.067 0.000 0.892 224 G HN 1.402 nan 8.290 nan 0.000 0.504 225 V N 0.258 120.249 119.914 0.128 0.000 2.588 225 V HA 0.758 4.878 4.120 0.000 0.000 0.304 225 V C -1.173 175.049 176.094 0.214 0.000 1.042 225 V CA -0.630 61.749 62.300 0.133 0.000 0.877 225 V CB 1.547 33.413 31.823 0.072 0.000 0.996 225 V HN 0.990 nan 8.190 nan 0.000 0.425 226 Y N 3.667 124.012 120.300 0.075 0.000 2.470 226 Y HA 0.601 5.151 4.550 0.000 0.000 0.341 226 Y C -0.304 175.590 175.900 -0.011 0.000 1.021 226 Y CA -0.851 57.302 58.100 0.089 0.000 1.025 226 Y CB 1.814 40.453 38.460 0.298 0.000 1.266 226 Y HN 0.647 nan 8.280 nan 0.000 0.448 227 R N 5.301 125.448 120.500 -0.588 0.000 2.229 227 R HA 0.590 4.930 4.340 0.000 0.000 0.332 227 R C -1.371 174.694 176.300 -0.391 0.000 0.989 227 R CA -0.563 55.307 56.100 -0.383 0.000 0.842 227 R CB 0.800 30.918 30.300 -0.302 0.000 1.119 227 R HN 0.612 nan 8.270 nan 0.000 0.456 228 V N 6.500 126.326 119.914 -0.146 0.000 2.673 228 V HA -0.030 4.090 4.120 0.000 0.000 0.303 228 V C 1.052 177.102 176.094 -0.074 0.000 1.046 228 V CA -0.028 62.244 62.300 -0.048 0.000 1.126 228 V CB 0.393 32.184 31.823 -0.053 0.000 0.934 228 V HN 0.693 nan 8.190 nan 0.000 0.487 229 L N 5.203 126.408 121.223 -0.030 0.000 2.472 229 L HA 0.512 4.852 4.340 0.000 0.000 0.260 229 L C -2.353 174.497 176.870 -0.034 0.000 1.209 229 L CA -1.582 53.236 54.840 -0.038 0.000 0.817 229 L CB -0.016 42.034 42.059 -0.015 0.000 1.106 229 L HN 0.354 nan 8.230 nan 0.000 0.479 230 P HA -0.018 nan 4.420 nan 0.000 0.267 230 P C -1.142 176.148 177.300 -0.015 0.000 1.200 230 P CA 0.056 63.146 63.100 -0.017 0.000 0.772 230 P CB 0.322 32.019 31.700 -0.007 0.000 0.855 231 D N 2.815 123.210 120.400 -0.009 0.000 2.344 231 D HA -0.010 4.630 4.640 0.000 0.000 0.253 231 D C 1.347 177.648 176.300 0.002 0.000 1.255 231 D CA -0.062 53.928 54.000 -0.016 0.000 0.894 231 D CB 0.521 41.303 40.800 -0.029 0.000 1.067 231 D HN 0.343 nan 8.370 nan 0.000 0.492 232 R N 3.766 124.259 120.500 -0.012 0.000 2.148 232 R HA -0.107 4.233 4.340 0.000 0.000 0.227 232 R C 1.340 177.648 176.300 0.013 0.000 1.103 232 R CA 0.574 56.674 56.100 -0.000 0.000 0.983 232 R CB -0.085 30.199 30.300 -0.026 0.000 0.874 232 R HN 0.341 nan 8.270 nan 0.000 0.451 233 I N 1.687 122.253 120.570 -0.008 0.000 2.406 233 I HA -0.101 4.069 4.170 0.000 0.000 0.249 233 I C 2.502 178.647 176.117 0.047 0.000 1.122 233 I CA 1.082 62.384 61.300 0.002 0.000 1.431 233 I CB -1.164 36.816 38.000 -0.032 0.000 1.087 233 I HN 0.346 nan 8.210 nan 0.000 0.424 234 E N 1.044 121.258 120.200 0.023 0.000 2.077 234 E HA -0.192 4.158 4.350 0.000 0.000 0.193 234 E C 2.006 178.791 176.600 0.309 0.000 0.989 234 E CA 1.911 58.403 56.400 0.153 0.000 0.800 234 E CB 0.196 29.976 29.700 0.134 0.000 0.746 234 E HN 0.383 nan 8.360 nan 0.000 0.452 235 T N -0.181 114.501 114.554 0.214 0.000 2.674 235 T HA -0.130 4.220 4.350 0.000 0.000 0.265 235 T C 1.754 176.580 174.700 0.211 0.000 1.039 235 T CA 1.325 63.558 62.100 0.222 0.000 1.150 235 T CB -0.706 68.238 68.868 0.127 0.000 0.864 235 T HN 0.409 nan 8.240 nan 0.000 0.427 236 G N 0.995 109.885 108.800 0.149 0.000 2.442 236 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 236 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 236 G C 1.713 176.700 174.900 0.145 0.000 1.141 236 G CA 1.491 46.682 45.100 0.153 0.000 0.763 236 G HN 0.459 nan 8.290 nan 0.000 0.554 237 T N 0.913 115.536 114.554 0.115 0.000 2.684 237 T HA -0.098 4.252 4.350 0.000 0.000 0.267 237 T C 2.040 176.668 174.700 -0.121 0.000 1.036 237 T CA 1.164 63.260 62.100 -0.007 0.000 1.148 237 T CB -0.350 68.523 68.868 0.008 0.000 0.863 237 T HN 0.280 nan 8.240 nan 0.000 0.436 238 F N 0.726 120.737 119.950 0.101 0.000 2.259 238 F HA 0.146 4.673 4.527 0.000 0.000 0.298 238 F C 2.085 177.910 175.800 0.043 0.000 1.088 238 F CA 0.515 58.553 58.000 0.063 0.000 1.358 238 F CB -0.424 38.619 39.000 0.072 0.000 1.040 238 F HN 0.067 nan 8.300 nan 0.000 0.505 239 L N -0.905 120.442 121.223 0.205 0.000 2.093 239 L HA -0.185 4.155 4.340 0.000 0.000 0.208 239 L C 2.306 179.210 176.870 0.056 0.000 1.085 239 L CA 0.627 55.548 54.840 0.134 0.000 0.755 239 L CB -0.677 41.465 42.059 0.139 0.000 0.904 239 L HN -0.031 nan 8.230 nan 0.000 0.435 240 V N 0.033 119.952 119.914 0.009 0.000 2.427 240 V HA -0.260 3.860 4.120 0.000 0.000 0.248 240 V C 2.766 178.812 176.094 -0.080 0.000 1.051 240 V CA 1.623 63.859 62.300 -0.106 0.000 1.048 240 V CB -0.791 30.930 31.823 -0.171 0.000 0.666 240 V HN 0.472 nan 8.190 nan 0.000 0.456 241 A N 0.071 122.863 122.820 -0.047 0.000 1.948 241 A HA -0.209 4.111 4.320 0.000 0.000 0.220 241 A C 2.367 179.951 177.584 -0.001 0.000 1.177 241 A CA 2.432 54.449 52.037 -0.033 0.000 0.636 241 A CB -0.663 18.334 19.000 -0.005 0.000 0.815 241 A HN 0.593 nan 8.150 nan 0.000 0.449 242 A N -0.708 122.127 122.820 0.026 0.000 1.935 242 A HA 0.368 4.688 4.320 0.000 0.000 0.214 242 A C 2.448 180.025 177.584 -0.012 0.000 1.178 242 A CA 1.493 53.540 52.037 0.017 0.000 0.640 242 A CB -0.865 18.156 19.000 0.035 0.000 0.825 242 A HN 1.038 nan 8.150 nan 0.000 0.447 243 A N 0.666 123.472 122.820 -0.024 0.000 1.972 243 A HA -0.069 4.251 4.320 0.000 0.000 0.219 243 A C 1.993 179.544 177.584 -0.054 0.000 1.169 243 A CA 1.511 53.523 52.037 -0.042 0.000 0.635 243 A CB -0.729 18.230 19.000 -0.069 0.000 0.810 243 A HN 0.984 nan 8.150 nan 0.000 0.446 244 I N -2.986 117.544 120.570 -0.066 0.000 3.860 244 I HA 0.130 4.300 4.170 0.000 0.000 0.319 244 I C 1.241 177.334 176.117 -0.040 0.000 1.279 244 I CA 1.059 62.322 61.300 -0.063 0.000 1.220 244 I CB 0.275 38.225 38.000 -0.083 0.000 1.027 244 I HN 0.219 nan 8.210 nan 0.000 0.428 245 S N -0.014 115.668 115.700 -0.030 0.000 2.663 245 S HA 0.438 4.908 4.470 0.000 0.000 0.243 245 S C 1.454 176.045 174.600 -0.014 0.000 1.009 245 S CA 0.127 58.315 58.200 -0.020 0.000 0.988 245 S CB 0.159 63.349 63.200 -0.016 0.000 0.896 245 S HN 0.714 nan 8.310 nan 0.000 0.502 246 G N 0.557 109.349 108.800 -0.014 0.000 2.212 246 G HA2 -0.175 3.785 3.960 0.000 0.000 0.267 246 G HA3 -0.175 3.785 3.960 0.000 0.000 0.267 246 G C 0.566 175.456 174.900 -0.017 0.000 1.002 246 G CA 0.200 45.295 45.100 -0.009 0.000 0.729 246 G HN 1.074 nan 8.290 nan 0.000 0.517 247 G N -1.025 107.763 108.800 -0.020 0.000 2.543 247 G HA2 0.665 4.625 3.960 0.000 0.000 0.267 247 G HA3 0.665 4.625 3.960 0.000 0.000 0.267 247 G C -0.128 174.745 174.900 -0.044 0.000 1.406 247 G CA 0.076 45.161 45.100 -0.024 0.000 1.048 247 G HN 0.671 nan 8.290 nan 0.000 0.548 248 K N -1.407 118.972 120.400 -0.035 0.000 2.527 248 K HA 0.673 4.993 4.320 0.000 0.000 0.260 248 K C -1.852 174.742 176.600 -0.011 0.000 0.937 248 K CA -0.749 55.511 56.287 -0.045 0.000 0.826 248 K CB 2.453 34.910 32.500 -0.073 0.000 1.359 248 K HN 0.467 nan 8.250 nan 0.000 0.434 249 I N 2.068 122.642 120.570 0.006 0.000 2.984 249 I HA 0.389 4.559 4.170 0.000 0.000 0.303 249 I C -1.866 174.273 176.117 0.037 0.000 1.381 249 I CA -0.923 60.389 61.300 0.021 0.000 0.988 249 I CB 2.368 40.400 38.000 0.053 0.000 1.307 249 I HN 0.395 nan 8.210 nan 0.000 0.460 250 V N 4.639 124.566 119.914 0.021 0.000 2.483 250 V HA 0.364 4.484 4.120 0.000 0.000 0.297 250 V C -0.684 175.438 176.094 0.048 0.000 1.027 250 V CA -0.574 61.756 62.300 0.049 0.000 0.855 250 V CB 1.411 33.215 31.823 -0.033 0.000 0.995 250 V HN 0.755 nan 8.190 nan 0.000 0.424 251 C N 6.238 125.606 119.300 0.113 0.000 2.265 251 C HA 0.599 5.059 4.460 0.000 0.000 0.332 251 C C 0.602 175.662 174.990 0.117 0.000 1.248 251 C CA -1.001 58.064 59.018 0.079 0.000 1.727 251 C CB -0.097 27.706 27.740 0.106 0.000 2.348 251 C HN 0.740 nan 8.230 nan 0.000 0.519 252 R N 2.466 122.998 120.500 0.054 0.000 2.573 252 R HA 0.271 4.611 4.340 0.000 0.000 0.272 252 R C 0.256 176.590 176.300 0.055 0.000 1.009 252 R CA -0.398 55.746 56.100 0.073 0.000 1.059 252 R CB 0.274 30.585 30.300 0.018 0.000 1.112 252 R HN 0.770 nan 8.270 nan 0.000 0.517 253 N N -1.161 117.578 118.700 0.066 0.000 2.740 253 N HA -0.196 4.544 4.740 0.000 0.000 0.248 253 N C -1.160 174.370 175.510 0.033 0.000 1.062 253 N CA 1.170 54.241 53.050 0.036 0.000 0.704 253 N CB -0.900 37.593 38.487 0.010 0.000 0.968 253 N HN 0.739 nan 8.380 nan 0.000 0.547 254 A N -0.195 122.655 122.820 0.051 0.000 2.288 254 A HA 0.750 5.070 4.320 0.000 0.000 0.328 254 A C 0.053 177.640 177.584 0.004 0.000 1.123 254 A CA -0.471 51.587 52.037 0.035 0.000 0.861 254 A CB 1.315 20.349 19.000 0.057 0.000 1.272 254 A HN 0.212 nan 8.150 nan 0.000 0.490 255 Q N 0.516 120.311 119.800 -0.008 0.000 2.771 255 Q HA 0.323 4.663 4.340 0.000 0.000 0.247 255 Q C -2.289 173.694 176.000 -0.029 0.000 0.986 255 Q CA -1.782 54.005 55.803 -0.026 0.000 0.713 255 Q CB 1.316 30.041 28.738 -0.022 0.000 1.241 255 Q HN 0.429 nan 8.270 nan 0.000 0.488 256 P HA -0.225 nan 4.420 nan 0.000 0.216 256 P C 0.543 177.826 177.300 -0.028 0.000 1.154 256 P CA 1.653 64.718 63.100 -0.058 0.000 0.865 256 P CB 0.180 31.804 31.700 -0.126 0.000 0.789 257 D N -1.466 118.919 120.400 -0.024 0.000 2.392 257 D HA -0.100 4.540 4.640 0.000 0.000 0.228 257 D C 1.029 177.358 176.300 0.048 0.000 1.003 257 D CA 1.215 55.217 54.000 0.004 0.000 0.917 257 D CB -1.434 39.366 40.800 0.000 0.000 0.890 257 D HN 0.237 nan 8.370 nan 0.000 0.532 258 T N -2.842 111.736 114.554 0.040 0.000 3.086 258 T HA 0.244 4.594 4.350 0.000 0.000 0.250 258 T C 1.122 175.881 174.700 0.099 0.000 1.074 258 T CA -0.328 61.812 62.100 0.068 0.000 0.988 258 T CB -0.234 68.622 68.868 -0.020 0.000 0.988 258 T HN 0.189 nan 8.240 nan 0.000 0.530 259 L N 0.657 121.916 121.223 0.061 0.000 3.366 259 L HA 0.364 4.705 4.340 0.000 0.000 0.304 259 L C 0.737 177.621 176.870 0.023 0.000 1.292 259 L CA -0.301 54.560 54.840 0.035 0.000 1.012 259 L CB 0.605 42.681 42.059 0.027 0.000 1.414 259 L HN -0.025 nan 8.230 nan 0.000 0.603 260 D N 1.539 121.951 120.400 0.020 0.000 2.116 260 D HA -0.233 4.408 4.640 0.000 0.000 0.193 260 D C 2.147 178.453 176.300 0.009 0.000 0.998 260 D CA 1.787 55.791 54.000 0.006 0.000 0.836 260 D CB 0.190 40.982 40.800 -0.013 0.000 0.951 260 D HN 0.409 nan 8.370 nan 0.000 0.449 261 A N 0.747 123.560 122.820 -0.011 0.000 1.883 261 A HA -0.155 4.166 4.320 0.000 0.000 0.217 261 A C 2.624 180.236 177.584 0.046 0.000 1.186 261 A CA 1.561 53.607 52.037 0.014 0.000 0.624 261 A CB -0.856 18.141 19.000 -0.005 0.000 0.822 261 A HN 0.157 nan 8.150 nan 0.000 0.444 262 V N 0.256 120.153 119.914 -0.028 0.000 2.295 262 V HA -0.266 3.854 4.120 0.000 0.000 0.246 262 V C 2.588 178.784 176.094 0.170 0.000 1.049 262 V CA 2.013 64.324 62.300 0.017 0.000 1.024 262 V CB -0.795 31.009 31.823 -0.032 0.000 0.648 262 V HN 0.571 nan 8.190 nan 0.000 0.447 263 L N 0.045 121.336 121.223 0.113 0.000 2.046 263 L HA -0.158 4.182 4.340 0.000 0.000 0.208 263 L C 2.745 179.687 176.870 0.121 0.000 1.077 263 L CA 1.564 56.475 54.840 0.118 0.000 0.747 263 L CB -0.891 41.209 42.059 0.068 0.000 0.896 263 L HN 0.374 nan 8.230 nan 0.000 0.432 264 A N -0.103 122.775 122.820 0.096 0.000 1.933 264 A HA -0.222 4.098 4.320 0.000 0.000 0.218 264 A C 2.287 179.942 177.584 0.119 0.000 1.175 264 A CA 1.706 53.795 52.037 0.086 0.000 0.628 264 A CB -0.318 18.717 19.000 0.058 0.000 0.814 264 A HN 0.157 nan 8.150 nan 0.000 0.444 265 K N -0.238 120.261 120.400 0.165 0.000 2.103 265 K HA 0.126 4.446 4.320 0.000 0.000 0.204 265 K C 1.727 178.519 176.600 0.319 0.000 1.052 265 K CA 0.874 57.296 56.287 0.224 0.000 0.945 265 K CB -0.480 32.140 32.500 0.200 0.000 0.722 265 K HN 0.516 nan 8.250 nan 0.000 0.443 266 L N -0.024 121.401 121.223 0.337 0.000 2.093 266 L HA -0.129 4.211 4.340 0.000 0.000 0.208 266 L C 2.277 179.237 176.870 0.151 0.000 1.085 266 L CA 1.153 56.142 54.840 0.248 0.000 0.755 266 L CB -0.243 41.945 42.059 0.215 0.000 0.904 266 L HN 0.123 nan 8.230 nan 0.000 0.435 267 R N 0.103 120.683 120.500 0.132 0.000 2.081 267 R HA -0.162 4.178 4.340 0.000 0.000 0.235 267 R C 2.077 178.431 176.300 0.089 0.000 1.131 267 R CA 1.310 57.468 56.100 0.098 0.000 0.960 267 R CB -0.255 30.094 30.300 0.082 0.000 0.856 267 R HN 0.435 nan 8.270 nan 0.000 0.436 268 E N 0.305 120.563 120.200 0.097 0.000 2.265 268 E HA -0.121 4.229 4.350 0.000 0.000 0.196 268 E C 1.600 178.247 176.600 0.078 0.000 0.996 268 E CA 0.919 57.367 56.400 0.079 0.000 0.832 268 E CB 0.055 29.801 29.700 0.077 0.000 0.756 268 E HN 0.337 nan 8.360 nan 0.000 0.491 269 A N -0.144 122.733 122.820 0.096 0.000 2.208 269 A HA 0.237 4.557 4.320 0.000 0.000 0.209 269 A C 1.709 179.327 177.584 0.056 0.000 1.161 269 A CA 0.904 52.985 52.037 0.073 0.000 0.782 269 A CB -0.031 19.011 19.000 0.070 0.000 0.816 269 A HN 0.340 nan 8.150 nan 0.000 0.477 270 G N -2.350 106.490 108.800 0.065 0.000 2.184 270 G HA2 0.162 4.122 3.960 0.000 0.000 0.206 270 G HA3 0.162 4.122 3.960 0.000 0.000 0.206 270 G C 0.398 175.348 174.900 0.082 0.000 0.995 270 G CA 0.052 45.191 45.100 0.066 0.000 0.651 270 G HN 1.474 nan 8.290 nan 0.000 0.511 271 A N 0.317 123.184 122.820 0.078 0.000 2.425 271 A HA 0.533 4.854 4.320 0.000 0.000 0.249 271 A C 0.145 177.788 177.584 0.098 0.000 1.084 271 A CA 0.750 52.834 52.037 0.079 0.000 0.781 271 A CB 0.461 19.502 19.000 0.067 0.000 1.019 271 A HN 0.586 nan 8.150 nan 0.000 0.490 272 D N 2.071 122.537 120.400 0.110 0.000 2.396 272 D HA 0.464 5.104 4.640 0.000 0.000 0.225 272 D C -0.566 175.796 176.300 0.102 0.000 1.121 272 D CA 0.063 54.146 54.000 0.138 0.000 0.853 272 D CB 0.032 40.987 40.800 0.258 0.000 1.043 272 D HN 0.351 nan 8.370 nan 0.000 0.500 273 I N 2.633 123.262 120.570 0.098 0.000 2.441 273 I HA 0.411 4.581 4.170 0.000 0.000 0.295 273 I C -0.021 176.152 176.117 0.094 0.000 0.994 273 I CA -0.938 60.418 61.300 0.094 0.000 1.144 273 I CB 1.925 39.972 38.000 0.079 0.000 1.314 273 I HN 0.254 nan 8.210 nan 0.000 0.445 274 E N 3.010 123.284 120.200 0.123 0.000 2.293 274 E HA 0.577 4.927 4.350 0.000 0.000 0.270 274 E C -1.040 175.532 176.600 -0.047 0.000 0.879 274 E CA -0.466 56.003 56.400 0.115 0.000 0.756 274 E CB 2.146 32.019 29.700 0.287 0.000 1.208 274 E HN 0.653 nan 8.360 nan 0.000 0.428 275 T N -0.520 113.833 114.554 -0.336 0.000 2.906 275 T HA 0.903 5.253 4.350 0.000 0.000 0.295 275 T C 0.216 174.190 174.700 -1.210 0.000 1.061 275 T CA -0.575 61.081 62.100 -0.741 0.000 1.000 275 T CB 1.819 70.457 68.868 -0.384 0.000 1.103 275 T HN 0.393 nan 8.240 nan 0.000 0.486 276 G N 0.239 107.940 108.800 -1.832 0.000 3.211 276 G HA2 0.495 4.455 3.960 0.000 0.000 0.262 276 G HA3 0.495 4.455 3.960 0.000 0.000 0.262 276 G C 0.358 174.831 174.900 -0.712 0.000 1.352 276 G CA -0.342 43.928 45.100 -1.383 0.000 1.004 276 G HN 0.747 nan 8.290 nan 0.000 0.559 277 E N -0.261 119.740 120.200 -0.330 0.000 2.085 277 E HA -0.124 4.226 4.350 0.000 0.000 0.194 277 E C 0.977 177.503 176.600 -0.123 0.000 0.994 277 E CA 2.296 58.609 56.400 -0.145 0.000 0.801 277 E CB 0.067 29.756 29.700 -0.019 0.000 0.743 277 E HN 0.454 nan 8.360 nan 0.000 0.453 278 D N -1.147 119.210 120.400 -0.072 0.000 2.692 278 D HA 0.095 4.735 4.640 0.000 0.000 0.290 278 D C -0.450 175.928 176.300 0.131 0.000 1.455 278 D CA -0.563 53.450 54.000 0.023 0.000 0.796 278 D CB -0.876 39.973 40.800 0.080 0.000 1.131 278 D HN 0.355 nan 8.370 nan 0.000 0.467 279 W N -0.033 121.268 121.300 0.002 0.000 3.137 279 W HA 0.676 5.336 4.660 0.000 0.000 0.324 279 W C -2.104 174.422 176.519 0.011 0.000 1.253 279 W CA -1.331 56.016 57.345 0.002 0.000 1.183 279 W CB 0.515 29.974 29.460 -0.003 0.000 1.424 279 W HN -0.296 nan 8.180 nan 0.000 0.566 280 I N 3.183 123.957 120.570 0.340 0.000 2.534 280 I HA 0.282 4.452 4.170 0.000 0.000 0.288 280 I C -0.130 176.206 176.117 0.365 0.000 1.077 280 I CA -0.687 60.741 61.300 0.214 0.000 1.051 280 I CB 2.504 40.560 38.000 0.094 0.000 1.234 280 I HN 0.450 nan 8.210 nan 0.000 0.425 281 S N 7.048 122.991 115.700 0.404 0.000 2.503 281 S HA 0.867 5.337 4.470 0.000 0.000 0.301 281 S C -0.943 173.760 174.600 0.170 0.000 1.087 281 S CA -0.740 57.629 58.200 0.283 0.000 1.042 281 S CB 2.415 65.801 63.200 0.310 0.000 1.043 281 S HN 0.644 nan 8.310 nan 0.000 0.489 282 L N 1.967 123.251 121.223 0.101 0.000 2.464 282 L HA 0.673 5.013 4.340 0.000 0.000 0.266 282 L C -2.047 174.819 176.870 -0.006 0.000 0.965 282 L CA -0.311 54.565 54.840 0.060 0.000 0.833 282 L CB 2.010 44.109 42.059 0.068 0.000 1.296 282 L HN 0.837 nan 8.230 nan 0.000 0.405 283 D N 4.786 125.144 120.400 -0.069 0.000 2.757 283 D HA 0.302 4.942 4.640 0.000 0.000 0.249 283 D C 0.130 176.276 176.300 -0.257 0.000 1.168 283 D CA -0.424 53.435 54.000 -0.235 0.000 0.870 283 D CB 1.971 42.509 40.800 -0.437 0.000 1.411 283 D HN 0.489 nan 8.370 nan 0.000 0.525 284 M N 1.690 121.181 119.600 -0.183 0.000 2.502 284 M HA 0.036 4.516 4.480 0.000 0.000 0.243 284 M C 0.156 176.458 176.300 0.004 0.000 1.130 284 M CA 0.191 55.456 55.300 -0.059 0.000 1.055 284 M CB -0.682 31.906 32.600 -0.021 0.000 1.457 284 M HN 0.497 nan 8.290 nan 0.000 0.488 285 H N 0.100 119.182 119.070 0.020 0.000 2.713 285 H HA -0.173 4.383 4.556 0.000 0.000 0.311 285 H C 1.345 176.680 175.328 0.012 0.000 1.175 285 H CA 0.943 57.001 56.048 0.016 0.000 1.143 285 H CB -2.131 27.642 29.762 0.018 0.000 1.434 285 H HN 0.645 nan 8.280 nan 0.000 0.418 286 G N -0.457 108.379 108.800 0.060 0.000 2.196 286 G HA2 -0.365 3.595 3.960 0.000 0.000 0.268 286 G HA3 -0.365 3.595 3.960 0.000 0.000 0.268 286 G C 0.517 175.441 174.900 0.041 0.000 0.975 286 G CA 0.921 46.047 45.100 0.043 0.000 0.648 286 G HN 0.539 nan 8.290 nan 0.000 0.538 287 K N 0.094 120.527 120.400 0.056 0.000 2.258 287 K HA 0.379 4.699 4.320 0.000 0.000 0.264 287 K C 0.800 177.415 176.600 0.024 0.000 1.007 287 K CA -0.575 55.738 56.287 0.044 0.000 0.941 287 K CB 0.813 33.349 32.500 0.061 0.000 0.966 287 K HN 0.303 nan 8.250 nan 0.000 0.480 288 R N 2.832 123.343 120.500 0.019 0.000 2.357 288 R HA 0.190 4.530 4.340 0.000 0.000 0.296 288 R C -2.176 174.130 176.300 0.010 0.000 1.052 288 R CA -1.478 54.627 56.100 0.008 0.000 0.988 288 R CB 0.583 30.888 30.300 0.008 0.000 1.025 288 R HN 0.394 nan 8.270 nan 0.000 0.469 289 P HA 0.055 nan 4.420 nan 0.000 0.272 289 P C -1.450 175.856 177.300 0.008 0.000 1.230 289 P CA -0.156 62.944 63.100 -0.000 0.000 0.788 289 P CB 0.792 32.477 31.700 -0.026 0.000 0.949 290 K N 1.082 121.494 120.400 0.019 0.000 2.159 290 K HA 0.532 4.852 4.320 0.000 0.000 0.266 290 K C -0.271 176.344 176.600 0.025 0.000 0.975 290 K CA -0.780 55.521 56.287 0.023 0.000 0.865 290 K CB 0.954 33.472 32.500 0.030 0.000 1.087 290 K HN 0.516 nan 8.250 nan 0.000 0.446 291 A N 3.153 125.985 122.820 0.019 0.000 2.540 291 A HA 0.288 4.608 4.320 0.000 0.000 0.239 291 A C 0.012 177.612 177.584 0.025 0.000 1.061 291 A CA -0.229 51.818 52.037 0.016 0.000 0.758 291 A CB -0.159 18.843 19.000 0.003 0.000 0.991 291 A HN 0.618 nan 8.150 nan 0.000 0.502 292 V N 0.069 120.005 119.914 0.037 0.000 3.113 292 V HA 0.882 5.002 4.120 0.000 0.000 0.316 292 V C 0.004 176.095 176.094 -0.006 0.000 1.125 292 V CA -0.665 61.656 62.300 0.035 0.000 1.026 292 V CB 1.683 33.560 31.823 0.091 0.000 1.080 292 V HN 0.747 nan 8.190 nan 0.000 0.444 293 T N 1.392 115.926 114.554 -0.035 0.000 2.797 293 T HA 0.744 5.094 4.350 0.000 0.000 0.279 293 T C -0.629 173.981 174.700 -0.150 0.000 0.991 293 T CA -0.299 61.757 62.100 -0.073 0.000 0.979 293 T CB 1.403 70.239 68.868 -0.052 0.000 0.943 293 T HN 0.735 nan 8.240 nan 0.000 0.444 294 V N 3.314 123.098 119.914 -0.217 0.000 2.876 294 V HA 0.676 4.796 4.120 0.000 0.000 0.312 294 V C -0.326 175.608 176.094 -0.267 0.000 1.085 294 V CA -1.016 61.036 62.300 -0.414 0.000 0.945 294 V CB 2.293 33.613 31.823 -0.839 0.000 1.017 294 V HN 0.772 nan 8.190 nan 0.000 0.428 295 R N 2.154 122.518 120.500 -0.227 0.000 2.539 295 R HA 0.463 4.803 4.340 0.000 0.000 0.295 295 R C -0.202 176.101 176.300 0.005 0.000 1.138 295 R CA -0.270 55.784 56.100 -0.076 0.000 0.936 295 R CB 1.577 31.853 30.300 -0.041 0.000 1.182 295 R HN 0.946 nan 8.270 nan 0.000 0.459 296 T N 1.112 115.709 114.554 0.071 0.000 2.900 296 T HA 0.674 5.024 4.350 0.000 0.000 0.307 296 T C 0.204 174.951 174.700 0.079 0.000 1.065 296 T CA 0.063 62.268 62.100 0.176 0.000 1.105 296 T CB 1.547 70.529 68.868 0.191 0.000 0.979 296 T HN 0.707 nan 8.240 nan 0.000 0.544 297 A N 2.822 125.684 122.820 0.070 0.000 2.515 297 A HA 0.703 5.023 4.320 0.000 0.000 0.292 297 A C -3.172 174.421 177.584 0.015 0.000 1.065 297 A CA -1.640 50.407 52.037 0.016 0.000 0.641 297 A CB 0.077 19.083 19.000 0.010 0.000 1.306 297 A HN 0.658 nan 8.150 nan 0.000 0.441 298 P HA 0.256 nan 4.420 nan 0.000 0.267 298 P C -0.324 177.002 177.300 0.044 0.000 1.200 298 P CA 0.429 63.543 63.100 0.024 0.000 0.772 298 P CB 0.140 31.847 31.700 0.012 0.000 0.855 299 H N 4.772 123.833 119.070 -0.015 0.000 3.016 299 H HA -0.019 4.537 4.556 0.000 0.000 0.345 299 H C -1.176 174.146 175.328 -0.011 0.000 1.066 299 H CA -0.533 55.504 56.048 -0.018 0.000 1.390 299 H CB 0.267 30.019 29.762 -0.016 0.000 1.344 299 H HN 0.334 nan 8.280 nan 0.000 0.605 300 P HA 0.100 nan 4.420 nan 0.000 0.255 300 P C -0.279 176.809 177.300 -0.354 0.000 1.301 300 P CA 0.297 62.845 63.100 -0.920 0.000 0.817 300 P CB -0.058 31.240 31.700 -0.670 0.000 1.259 301 A N 0.511 123.235 122.820 -0.160 0.000 2.325 301 A HA 0.206 4.526 4.320 0.000 0.000 0.260 301 A C -0.125 177.461 177.584 0.004 0.000 1.133 301 A CA -0.496 51.516 52.037 -0.042 0.000 0.801 301 A CB -0.629 18.372 19.000 0.002 0.000 1.092 301 A HN 0.170 nan 8.150 nan 0.000 0.504 302 F N 1.573 121.474 119.950 -0.082 0.000 2.608 302 F HA 0.296 4.823 4.527 0.000 0.000 0.380 302 F C -1.670 174.100 175.800 -0.051 0.000 1.083 302 F CA -1.260 56.679 58.000 -0.100 0.000 1.266 302 F CB 0.646 39.552 39.000 -0.156 0.000 1.076 302 F HN 0.269 nan 8.300 nan 0.000 0.574 303 P HA 0.031 nan 4.420 nan 0.000 0.285 303 P C 0.136 177.411 177.300 -0.042 0.000 1.259 303 P CA -0.254 62.730 63.100 -0.192 0.000 0.794 303 P CB 1.664 33.239 31.700 -0.207 0.000 0.940 304 T N 0.962 115.579 114.554 0.105 0.000 2.881 304 T HA -0.119 4.231 4.350 0.000 0.000 0.270 304 T C 0.948 175.758 174.700 0.184 0.000 1.068 304 T CA 1.555 63.774 62.100 0.199 0.000 1.131 304 T CB -0.684 68.313 68.868 0.214 0.000 0.871 304 T HN 0.315 nan 8.240 nan 0.000 0.479 305 D N 0.434 120.898 120.400 0.108 0.000 2.371 305 D HA 0.033 4.673 4.640 0.000 0.000 0.221 305 D C 1.357 177.699 176.300 0.071 0.000 0.986 305 D CA 0.533 54.582 54.000 0.082 0.000 0.899 305 D CB 0.079 40.908 40.800 0.048 0.000 0.902 305 D HN 0.412 nan 8.370 nan 0.000 0.530 306 M N -0.192 119.440 119.600 0.054 0.000 2.313 306 M HA 0.051 4.531 4.480 0.000 0.000 0.273 306 M C 1.685 178.244 176.300 0.431 0.000 1.049 306 M CA 0.093 55.476 55.300 0.139 0.000 1.004 306 M CB 0.315 32.814 32.600 -0.169 0.000 1.461 306 M HN -0.036 nan 8.290 nan 0.000 0.514 307 Q N 1.107 121.161 119.800 0.423 0.000 2.061 307 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 307 Q C 1.735 177.897 176.000 0.270 0.000 0.984 307 Q CA 2.280 58.348 55.803 0.441 0.000 0.846 307 Q CB 0.057 29.020 28.738 0.375 0.000 0.902 307 Q HN 0.461 nan 8.270 nan 0.000 0.421 308 A N 0.427 123.262 122.820 0.024 0.000 1.933 308 A HA -0.230 4.090 4.320 0.000 0.000 0.218 308 A C 1.997 179.505 177.584 -0.126 0.000 1.175 308 A CA 1.664 53.431 52.037 -0.450 0.000 0.628 308 A CB -0.469 18.074 19.000 -0.761 0.000 0.814 308 A HN 0.477 nan 8.150 nan 0.000 0.444 309 Q N -1.195 118.634 119.800 0.048 0.000 2.084 309 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 309 Q C 1.606 177.657 176.000 0.086 0.000 0.978 309 Q CA 1.704 57.547 55.803 0.066 0.000 0.844 309 Q CB -0.429 28.383 28.738 0.122 0.000 0.898 309 Q HN 0.690 nan 8.270 nan 0.000 0.426 310 F N -0.107 119.912 119.950 0.115 0.000 2.456 310 F HA -0.071 4.456 4.527 0.000 0.000 0.298 310 F C 2.140 177.964 175.800 0.039 0.000 1.104 310 F CA 1.029 59.087 58.000 0.097 0.000 1.435 310 F CB -0.335 38.745 39.000 0.133 0.000 1.078 310 F HN 0.011 nan 8.300 nan 0.000 0.546 311 T N 0.604 115.283 114.554 0.209 0.000 2.746 311 T HA -0.198 4.153 4.350 0.000 0.000 0.267 311 T C 2.036 176.781 174.700 0.076 0.000 1.039 311 T CA 1.349 63.538 62.100 0.149 0.000 1.142 311 T CB -0.541 68.511 68.868 0.307 0.000 0.866 311 T HN 0.140 nan 8.240 nan 0.000 0.444 312 L N 1.369 122.625 121.223 0.055 0.000 1.989 312 L HA 0.043 4.383 4.340 0.000 0.000 0.211 312 L C 2.241 179.085 176.870 -0.043 0.000 1.071 312 L CA 1.553 56.394 54.840 0.001 0.000 0.749 312 L CB -0.996 41.047 42.059 -0.026 0.000 0.890 312 L HN 0.271 nan 8.230 nan 0.000 0.431 313 L N -0.356 120.811 121.223 -0.093 0.000 2.043 313 L HA -0.277 4.063 4.340 0.000 0.000 0.212 313 L C 2.202 179.031 176.870 -0.068 0.000 1.075 313 L CA 1.845 56.603 54.840 -0.136 0.000 0.752 313 L CB -0.538 41.334 42.059 -0.312 0.000 0.891 313 L HN 0.417 nan 8.230 nan 0.000 0.432 314 N N -0.135 118.547 118.700 -0.029 0.000 2.244 314 N HA -0.114 4.627 4.740 0.000 0.000 0.183 314 N C 1.792 177.286 175.510 -0.027 0.000 1.016 314 N CA 1.216 54.256 53.050 -0.017 0.000 0.866 314 N CB -0.263 38.218 38.487 -0.010 0.000 0.980 314 N HN 0.393 nan 8.380 nan 0.000 0.430 315 L N 0.475 121.680 121.223 -0.030 0.000 2.465 315 L HA -0.021 4.319 4.340 0.000 0.000 0.224 315 L C 1.379 178.227 176.870 -0.038 0.000 1.145 315 L CA 0.528 55.347 54.840 -0.035 0.000 0.834 315 L CB -0.005 42.032 42.059 -0.037 0.000 0.944 315 L HN 0.059 nan 8.230 nan 0.000 0.451 316 V N -4.861 115.031 119.914 -0.036 0.000 3.253 316 V HA 0.530 4.650 4.120 0.000 0.000 0.320 316 V C 0.714 176.795 176.094 -0.022 0.000 1.442 316 V CA -0.250 62.030 62.300 -0.033 0.000 1.097 316 V CB -0.263 31.537 31.823 -0.039 0.000 1.008 316 V HN 0.097 nan 8.190 nan 0.000 0.463 317 A N 0.728 123.538 122.820 -0.017 0.000 2.248 317 A HA 0.766 5.086 4.320 0.000 0.000 0.316 317 A C -0.060 177.528 177.584 0.008 0.000 1.101 317 A CA -0.478 51.554 52.037 -0.007 0.000 0.875 317 A CB 1.005 20.000 19.000 -0.008 0.000 1.207 317 A HN 0.484 nan 8.150 nan 0.000 0.504 318 E N -0.305 119.902 120.200 0.013 0.000 2.194 318 E HA 0.486 4.836 4.350 0.000 0.000 0.284 318 E C 0.484 177.098 176.600 0.024 0.000 1.035 318 E CA 1.200 57.613 56.400 0.021 0.000 0.836 318 E CB 0.154 29.866 29.700 0.020 0.000 1.070 318 E HN 1.729 nan 8.360 nan 0.000 0.401 319 G N 2.933 111.753 108.800 0.035 0.000 2.582 319 G HA2 -0.156 3.804 3.960 0.000 0.000 0.222 319 G HA3 -0.156 3.804 3.960 0.000 0.000 0.222 319 G C -0.675 174.246 174.900 0.035 0.000 1.311 319 G CA -0.435 44.688 45.100 0.037 0.000 0.915 319 G HN 0.614 nan 8.290 nan 0.000 0.528 320 T N 1.196 115.764 114.554 0.023 0.000 2.743 320 T HA 0.637 4.987 4.350 0.000 0.000 0.292 320 T C 0.687 175.355 174.700 -0.054 0.000 0.972 320 T CA 0.548 62.633 62.100 -0.024 0.000 0.967 320 T CB 1.311 70.182 68.868 0.004 0.000 0.926 320 T HN 1.465 nan 8.240 nan 0.000 0.459 321 G N 1.565 110.310 108.800 -0.093 0.000 2.400 321 G HA2 0.613 4.573 3.960 0.000 0.000 0.333 321 G HA3 0.613 4.573 3.960 0.000 0.000 0.333 321 G C -1.098 173.740 174.900 -0.104 0.000 1.143 321 G CA -0.537 44.520 45.100 -0.072 0.000 0.914 321 G HN 0.640 nan 8.290 nan 0.000 0.480 322 V N 3.294 123.160 119.914 -0.079 0.000 2.483 322 V HA 0.392 4.512 4.120 0.000 0.000 0.297 322 V C -0.616 175.434 176.094 -0.075 0.000 1.027 322 V CA -0.776 61.475 62.300 -0.082 0.000 0.855 322 V CB 1.539 33.326 31.823 -0.060 0.000 0.995 322 V HN 0.561 nan 8.190 nan 0.000 0.424 323 I N 3.729 124.259 120.570 -0.067 0.000 2.362 323 I HA 0.442 4.612 4.170 0.000 0.000 0.289 323 I C 0.104 176.268 176.117 0.078 0.000 0.994 323 I CA -0.047 61.236 61.300 -0.028 0.000 1.158 323 I CB 1.792 39.790 38.000 -0.003 0.000 1.315 323 I HN 0.514 nan 8.210 nan 0.000 0.451 324 T N 4.967 119.564 114.554 0.072 0.000 2.791 324 T HA 0.264 4.614 4.350 0.000 0.000 0.288 324 T C -0.106 174.671 174.700 0.128 0.000 0.999 324 T CA -0.475 61.702 62.100 0.127 0.000 0.952 324 T CB 1.484 70.381 68.868 0.049 0.000 0.938 324 T HN 0.417 nan 8.240 nan 0.000 0.444 325 E N 2.212 122.508 120.200 0.161 0.000 2.115 325 E HA 0.353 4.703 4.350 0.000 0.000 0.282 325 E C 0.949 177.529 176.600 -0.033 0.000 0.987 325 E CA -0.533 55.891 56.400 0.039 0.000 0.797 325 E CB 0.715 30.338 29.700 -0.129 0.000 1.086 325 E HN 0.640 nan 8.360 nan 0.000 0.397 326 T N 2.169 116.705 114.554 -0.030 0.000 3.044 326 T HA 0.180 4.530 4.350 0.000 0.000 0.260 326 T C 1.160 175.786 174.700 -0.123 0.000 1.019 326 T CA -0.119 61.944 62.100 -0.061 0.000 0.921 326 T CB -0.007 68.836 68.868 -0.041 0.000 1.053 326 T HN 0.393 nan 8.240 nan 0.000 0.533 327 I N -0.150 120.314 120.570 -0.178 0.000 2.512 327 I HA 0.382 4.553 4.170 0.000 0.000 0.247 327 I C 0.282 176.061 176.117 -0.564 0.000 1.094 327 I CA 0.200 61.252 61.300 -0.414 0.000 1.427 327 I CB -0.626 37.040 38.000 -0.556 0.000 1.149 327 I HN 0.211 nan 8.210 nan 0.000 0.438 328 F N 2.167 122.081 119.950 -0.061 0.000 2.495 328 F HA 0.226 4.753 4.527 0.000 0.000 0.327 328 F C 1.598 177.316 175.800 -0.135 0.000 1.103 328 F CA -0.758 57.195 58.000 -0.079 0.000 0.949 328 F CB 1.402 40.364 39.000 -0.064 0.000 1.142 328 F HN 0.018 nan 8.300 nan 0.000 0.457 329 E N 1.150 121.399 120.200 0.083 0.000 2.427 329 E HA -0.147 4.203 4.350 0.000 0.000 0.196 329 E C -0.174 176.386 176.600 -0.067 0.000 1.028 329 E CA 0.832 57.216 56.400 -0.027 0.000 0.864 329 E CB -0.025 29.671 29.700 -0.007 0.000 0.813 329 E HN 0.711 nan 8.360 nan 0.000 0.514 330 N N 0.450 119.127 118.700 -0.037 0.000 2.679 330 N HA 0.119 4.859 4.740 0.000 0.000 0.302 330 N C -0.528 174.949 175.510 -0.055 0.000 1.941 330 N CA -0.188 52.828 53.050 -0.056 0.000 0.875 330 N CB 0.431 38.902 38.487 -0.026 0.000 1.278 330 N HN -0.057 nan 8.380 nan 0.000 0.490 331 R N 0.984 121.410 120.500 -0.123 0.000 2.865 331 R HA 0.249 4.590 4.340 0.000 0.000 0.370 331 R C -0.552 175.870 176.300 0.203 0.000 1.168 331 R CA -0.162 55.940 56.100 0.004 0.000 1.058 331 R CB -0.053 30.279 30.300 0.052 0.000 1.419 331 R HN 0.303 nan 8.270 nan 0.000 0.580 332 F N -0.339 119.655 119.950 0.073 0.000 2.772 332 F HA 0.144 4.671 4.527 0.000 0.000 0.316 332 F C 1.307 176.963 175.800 -0.239 0.000 1.114 332 F CA -0.467 57.464 58.000 -0.115 0.000 1.191 332 F CB 0.691 39.630 39.000 -0.101 0.000 1.065 332 F HN 0.094 nan 8.300 nan 0.000 0.534 333 M N 0.280 119.956 119.600 0.127 0.000 2.346 333 M HA -0.204 4.276 4.480 0.000 0.000 0.263 333 M C 2.323 178.637 176.300 0.024 0.000 1.064 333 M CA 1.370 56.701 55.300 0.051 0.000 1.083 333 M CB -0.628 31.999 32.600 0.045 0.000 1.399 333 M HN 0.301 nan 8.290 nan 0.000 0.435 334 H N -1.115 117.984 119.070 0.047 0.000 2.462 334 H HA 0.047 4.603 4.556 0.000 0.000 0.292 334 H C 2.039 177.370 175.328 0.006 0.000 1.049 334 H CA 1.043 57.099 56.048 0.015 0.000 1.334 334 H CB -1.168 28.607 29.762 0.021 0.000 1.404 334 H HN 0.243 nan 8.280 nan 0.000 0.544 335 V N 2.437 122.075 119.914 -0.461 0.000 2.255 335 V HA -0.177 3.943 4.120 0.000 0.000 0.247 335 V C -0.261 175.759 176.094 -0.123 0.000 1.051 335 V CA 2.263 64.382 62.300 -0.300 0.000 1.018 335 V CB -1.411 30.183 31.823 -0.382 0.000 0.641 335 V HN 0.404 nan 8.190 nan 0.000 0.445 336 P HA -0.113 nan 4.420 nan 0.000 0.218 336 P C 1.573 178.861 177.300 -0.021 0.000 1.148 336 P CA 1.153 64.229 63.100 -0.039 0.000 0.822 336 P CB -0.011 31.675 31.700 -0.023 0.000 0.784 337 E N -0.486 119.705 120.200 -0.015 0.000 2.072 337 E HA -0.059 4.291 4.350 0.000 0.000 0.190 337 E C 2.114 178.713 176.600 -0.001 0.000 0.982 337 E CA 0.908 57.309 56.400 0.000 0.000 0.803 337 E CB -0.893 28.814 29.700 0.013 0.000 0.755 337 E HN 0.318 nan 8.360 nan 0.000 0.453 338 L N 0.512 121.735 121.223 -0.001 0.000 2.141 338 L HA -0.079 4.261 4.340 0.000 0.000 0.209 338 L C 2.468 179.322 176.870 -0.025 0.000 1.094 338 L CA 0.608 55.444 54.840 -0.007 0.000 0.763 338 L CB -0.314 41.749 42.059 0.006 0.000 0.908 338 L HN 0.070 nan 8.230 nan 0.000 0.437 339 I N -0.463 120.092 120.570 -0.024 0.000 2.454 339 I HA -0.258 3.912 4.170 0.000 0.000 0.254 339 I C 2.540 178.652 176.117 -0.007 0.000 1.156 339 I CA 1.070 62.362 61.300 -0.014 0.000 1.433 339 I CB -0.225 37.776 38.000 0.002 0.000 1.082 339 I HN 0.203 nan 8.210 nan 0.000 0.432 340 R N 0.215 120.711 120.500 -0.006 0.000 2.237 340 R HA -0.018 4.323 4.340 0.000 0.000 0.219 340 R C 1.682 177.977 176.300 -0.008 0.000 1.080 340 R CA 0.918 57.017 56.100 -0.001 0.000 0.995 340 R CB -0.061 30.240 30.300 0.001 0.000 0.875 340 R HN 0.364 nan 8.270 nan 0.000 0.462 341 M N -0.780 118.809 119.600 -0.019 0.000 2.453 341 M HA 0.188 4.668 4.480 0.000 0.000 0.239 341 M C 0.617 176.885 176.300 -0.052 0.000 1.151 341 M CA 0.297 55.581 55.300 -0.028 0.000 0.989 341 M CB 1.339 33.924 32.600 -0.025 0.000 1.548 341 M HN 0.365 nan 8.290 nan 0.000 0.479 342 G N 0.570 109.332 108.800 -0.063 0.000 2.175 342 G HA2 -0.187 3.773 3.960 0.000 0.000 0.244 342 G HA3 -0.187 3.773 3.960 0.000 0.000 0.244 342 G C 0.178 174.894 174.900 -0.305 0.000 0.982 342 G CA -0.035 44.990 45.100 -0.125 0.000 0.641 342 G HN 0.659 nan 8.290 nan 0.000 0.527 343 A N 0.517 123.210 122.820 -0.212 0.000 2.386 343 A HA 0.638 4.958 4.320 0.000 0.000 0.248 343 A C 0.072 177.532 177.584 -0.206 0.000 1.082 343 A CA -0.082 51.810 52.037 -0.241 0.000 0.789 343 A CB 0.246 19.186 19.000 -0.101 0.000 1.025 343 A HN 0.503 nan 8.150 nan 0.000 0.490 344 H N 0.231 119.320 119.070 0.031 0.000 2.587 344 H HA 0.692 5.248 4.556 0.000 0.000 0.325 344 H C -0.069 175.314 175.328 0.091 0.000 1.012 344 H CA 0.167 56.255 56.048 0.067 0.000 1.213 344 H CB 1.185 31.004 29.762 0.095 0.000 1.431 344 H HN 0.920 nan 8.280 nan 0.000 0.492 345 A N 2.708 125.629 122.820 0.169 0.000 2.606 345 A HA 0.664 4.984 4.320 0.000 0.000 0.293 345 A C -1.170 176.433 177.584 0.031 0.000 1.082 345 A CA -0.827 51.239 52.037 0.048 0.000 0.685 345 A CB 1.907 20.864 19.000 -0.072 0.000 1.284 345 A HN 0.534 nan 8.150 nan 0.000 0.408 346 E N 0.223 120.412 120.200 -0.018 0.000 2.256 346 E HA 0.597 4.947 4.350 0.000 0.000 0.268 346 E C -1.278 175.279 176.600 -0.071 0.000 0.877 346 E CA -0.189 56.202 56.400 -0.014 0.000 0.757 346 E CB 2.135 31.857 29.700 0.037 0.000 1.183 346 E HN 0.527 nan 8.360 nan 0.000 0.418 347 I N 2.199 122.736 120.570 -0.056 0.000 2.321 347 I HA 0.302 4.472 4.170 0.000 0.000 0.291 347 I C -0.294 175.836 176.117 0.022 0.000 0.998 347 I CA -0.582 60.691 61.300 -0.045 0.000 1.227 347 I CB 1.245 39.246 38.000 0.001 0.000 1.368 347 I HN 0.358 nan 8.210 nan 0.000 0.466 348 E N 5.263 125.488 120.200 0.042 0.000 2.255 348 E HA 0.365 4.715 4.350 0.000 0.000 0.245 348 E C 0.031 176.682 176.600 0.085 0.000 0.909 348 E CA 0.057 56.487 56.400 0.050 0.000 0.747 348 E CB 1.072 30.790 29.700 0.030 0.000 1.215 348 E HN 0.655 nan 8.360 nan 0.000 0.424 349 S N 3.874 119.626 115.700 0.086 0.000 4.114 349 S HA -0.314 4.156 4.470 0.000 0.000 0.618 349 S C 0.684 175.371 174.600 0.145 0.000 1.937 349 S CA 1.787 60.038 58.200 0.085 0.000 4.228 349 S CB -1.194 62.039 63.200 0.055 0.000 0.216 349 S HN 0.745 nan 8.310 nan 0.000 0.528 350 N N 1.796 120.571 118.700 0.125 0.000 2.320 350 N HA 0.257 4.998 4.740 0.000 0.000 0.237 350 N C -0.456 175.258 175.510 0.339 0.000 1.129 350 N CA 0.359 53.499 53.050 0.150 0.000 0.854 350 N CB 0.153 38.644 38.487 0.007 0.000 1.083 350 N HN 0.436 nan 8.380 nan 0.000 0.504 351 T N 0.201 114.955 114.554 0.333 0.000 2.861 351 T HA 0.403 4.753 4.350 0.000 0.000 0.287 351 T C -0.695 174.023 174.700 0.029 0.000 1.003 351 T CA -0.472 61.755 62.100 0.212 0.000 0.977 351 T CB 2.525 71.443 68.868 0.084 0.000 0.996 351 T HN -0.127 nan 8.240 nan 0.000 0.448 352 V N 4.452 124.254 119.914 -0.186 0.000 2.417 352 V HA 0.482 4.602 4.120 0.000 0.000 0.291 352 V C -0.143 175.822 176.094 -0.216 0.000 1.024 352 V CA -0.781 61.298 62.300 -0.369 0.000 0.861 352 V CB 1.311 32.732 31.823 -0.671 0.000 0.985 352 V HN 0.775 nan 8.190 nan 0.000 0.436 353 I N 4.464 124.922 120.570 -0.187 0.000 2.304 353 I HA 0.347 4.517 4.170 0.000 0.000 0.291 353 I C -0.201 175.711 176.117 -0.342 0.000 1.018 353 I CA -0.050 61.120 61.300 -0.216 0.000 1.260 353 I CB 0.932 38.845 38.000 -0.145 0.000 1.390 353 I HN 0.543 nan 8.210 nan 0.000 0.475 354 C N 5.437 124.517 119.300 -0.366 0.000 2.376 354 C HA 0.445 4.905 4.460 0.000 0.000 0.335 354 C C 0.070 174.769 174.990 -0.484 0.000 1.229 354 C CA -0.618 58.196 59.018 -0.339 0.000 1.867 354 C CB 0.353 27.994 27.740 -0.164 0.000 2.319 354 C HN 0.614 nan 8.230 nan 0.000 0.515 355 H N 1.348 120.434 119.070 0.026 0.000 2.736 355 H HA 0.280 4.836 4.556 0.000 0.000 0.271 355 H C 0.592 175.951 175.328 0.051 0.000 1.184 355 H CA -0.027 56.049 56.048 0.048 0.000 1.378 355 H CB 0.885 30.693 29.762 0.077 0.000 1.428 355 H HN 0.959 nan 8.280 nan 0.000 0.500 356 G N 1.886 110.737 108.800 0.084 0.000 2.391 356 G HA2 0.243 4.203 3.960 0.000 0.000 0.234 356 G HA3 0.243 4.203 3.960 0.000 0.000 0.234 356 G C 0.522 175.454 174.900 0.052 0.000 1.284 356 G CA -0.045 45.080 45.100 0.042 0.000 0.873 356 G HN 0.423 nan 8.290 nan 0.000 0.549 357 V N 0.224 120.139 119.914 0.001 0.000 2.919 357 V HA 0.641 4.761 4.120 0.000 0.000 0.316 357 V C 1.126 177.212 176.094 -0.014 0.000 1.077 357 V CA -0.569 61.726 62.300 -0.007 0.000 0.977 357 V CB 1.976 33.745 31.823 -0.090 0.000 1.039 357 V HN 0.694 nan 8.190 nan 0.000 0.441 358 E N 1.670 121.868 120.200 -0.004 0.000 2.023 358 E HA -0.052 4.298 4.350 0.000 0.000 0.196 358 E C 0.382 176.972 176.600 -0.017 0.000 1.003 358 E CA 1.790 58.187 56.400 -0.005 0.000 0.809 358 E CB 0.132 29.833 29.700 0.002 0.000 0.755 358 E HN 0.698 nan 8.360 nan 0.000 0.449 359 K N -0.278 120.107 120.400 -0.024 0.000 2.469 359 K HA 0.365 4.685 4.320 0.000 0.000 0.254 359 K C -0.634 175.940 176.600 -0.043 0.000 0.939 359 K CA -0.629 55.641 56.287 -0.029 0.000 0.812 359 K CB 1.761 34.250 32.500 -0.019 0.000 1.301 359 K HN 0.071 nan 8.250 nan 0.000 0.433 360 L N 0.734 121.931 121.223 -0.044 0.000 2.416 360 L HA 0.437 4.777 4.340 0.000 0.000 0.262 360 L C 0.255 177.105 176.870 -0.035 0.000 1.093 360 L CA -0.618 54.191 54.840 -0.051 0.000 0.801 360 L CB 1.233 43.263 42.059 -0.047 0.000 1.191 360 L HN 0.481 nan 8.230 nan 0.000 0.459 361 S N -0.359 115.321 115.700 -0.032 0.000 2.472 361 S HA 0.484 4.954 4.470 0.000 0.000 0.303 361 S C 0.125 174.717 174.600 -0.014 0.000 1.099 361 S CA -0.712 57.477 58.200 -0.019 0.000 1.077 361 S CB 1.707 64.898 63.200 -0.015 0.000 1.031 361 S HN 0.768 nan 8.310 nan 0.000 0.487 362 G N 1.276 110.070 108.800 -0.009 0.000 2.432 362 G HA2 0.506 4.466 3.960 0.000 0.000 0.239 362 G HA3 0.506 4.466 3.960 0.000 0.000 0.239 362 G C -0.241 174.659 174.900 -0.000 0.000 1.291 362 G CA 0.072 45.170 45.100 -0.004 0.000 0.863 362 G HN 0.996 nan 8.290 nan 0.000 0.560 363 A N 1.984 124.806 122.820 0.003 0.000 2.599 363 A HA 0.686 5.006 4.320 0.000 0.000 0.290 363 A C -0.592 176.998 177.584 0.011 0.000 1.101 363 A CA -0.795 51.245 52.037 0.006 0.000 0.674 363 A CB 1.000 20.002 19.000 0.003 0.000 1.277 363 A HN 0.656 nan 8.150 nan 0.000 0.419 364 Q N 0.404 120.212 119.800 0.013 0.000 2.294 364 Q HA 0.509 4.850 4.340 0.000 0.000 0.257 364 Q C -0.162 175.847 176.000 0.014 0.000 0.955 364 Q CA -0.513 55.300 55.803 0.017 0.000 0.936 364 Q CB 1.470 30.218 28.738 0.018 0.000 1.188 364 Q HN 0.896 nan 8.270 nan 0.000 0.420 365 V N -0.371 119.552 119.914 0.015 0.000 3.141 365 V HA 0.690 4.810 4.120 0.000 0.000 0.312 365 V C -0.775 175.323 176.094 0.008 0.000 1.157 365 V CA -1.293 61.013 62.300 0.010 0.000 1.041 365 V CB 2.266 34.093 31.823 0.007 0.000 1.071 365 V HN 0.835 nan 8.190 nan 0.000 0.441 366 M N 2.547 122.149 119.600 0.003 0.000 2.253 366 M HA 0.795 5.275 4.480 0.000 0.000 0.314 366 M C -0.111 176.173 176.300 -0.026 0.000 1.019 366 M CA -0.627 54.672 55.300 -0.002 0.000 0.932 366 M CB 1.482 34.088 32.600 0.011 0.000 1.606 366 M HN 1.209 nan 8.290 nan 0.000 0.430 367 A N 2.867 125.659 122.820 -0.047 0.000 2.440 367 A HA 0.458 4.778 4.320 0.000 0.000 0.251 367 A C 0.814 178.281 177.584 -0.196 0.000 1.089 367 A CA 0.115 52.083 52.037 -0.115 0.000 0.779 367 A CB 0.027 18.953 19.000 -0.123 0.000 1.022 367 A HN 0.958 nan 8.150 nan 0.000 0.492 368 T N -1.497 112.862 114.554 -0.326 0.000 2.955 368 T HA 0.346 4.696 4.350 0.000 0.000 0.251 368 T C 0.013 174.248 174.700 -0.775 0.000 1.002 368 T CA 0.659 62.519 62.100 -0.400 0.000 0.970 368 T CB -0.389 68.384 68.868 -0.159 0.000 1.091 368 T HN 0.849 nan 8.240 nan 0.000 0.495 369 D N -0.694 119.266 120.400 -0.733 0.000 2.639 369 D HA 0.421 5.061 4.640 0.000 0.000 0.271 369 D C 0.711 176.823 176.300 -0.313 0.000 1.254 369 D CA -0.965 52.701 54.000 -0.555 0.000 0.810 369 D CB 0.795 41.440 40.800 -0.258 0.000 1.351 369 D HN -0.110 nan 8.370 nan 0.000 0.427 370 L N 0.666 121.819 121.223 -0.117 0.000 1.965 370 L HA -0.166 4.174 4.340 0.000 0.000 0.226 370 L C 1.988 178.881 176.870 0.037 0.000 1.083 370 L CA 1.982 56.829 54.840 0.012 0.000 0.790 370 L CB -0.716 41.374 42.059 0.052 0.000 0.898 370 L HN 0.511 nan 8.230 nan 0.000 0.439 371 R N -0.093 120.419 120.500 0.021 0.000 2.115 371 R HA 0.028 4.368 4.340 0.000 0.000 0.230 371 R C 2.169 178.433 176.300 -0.060 0.000 1.111 371 R CA 1.255 57.374 56.100 0.031 0.000 0.976 371 R CB -1.496 28.820 30.300 0.026 0.000 0.870 371 R HN 0.586 nan 8.270 nan 0.000 0.445 372 A N 1.409 124.172 122.820 -0.095 0.000 1.898 372 A HA -0.161 4.159 4.320 0.000 0.000 0.216 372 A C 2.357 179.884 177.584 -0.094 0.000 1.181 372 A CA 1.861 53.838 52.037 -0.100 0.000 0.620 372 A CB -0.574 18.410 19.000 -0.026 0.000 0.819 372 A HN 0.446 nan 8.150 nan 0.000 0.442 373 S N 0.309 115.936 115.700 -0.122 0.000 2.399 373 S HA -0.014 4.456 4.470 0.000 0.000 0.231 373 S C 2.039 176.556 174.600 -0.137 0.000 1.022 373 S CA 1.418 59.541 58.200 -0.128 0.000 0.983 373 S CB -0.624 62.489 63.200 -0.145 0.000 0.803 373 S HN 0.893 nan 8.310 nan 0.000 0.480 374 A N 1.504 124.223 122.820 -0.169 0.000 1.930 374 A HA 0.080 4.400 4.320 0.000 0.000 0.217 374 A C 2.442 179.912 177.584 -0.191 0.000 1.175 374 A CA 1.605 53.472 52.037 -0.283 0.000 0.627 374 A CB -1.047 17.699 19.000 -0.423 0.000 0.815 374 A HN 0.569 nan 8.150 nan 0.000 0.443 375 S N 0.024 115.645 115.700 -0.131 0.000 2.383 375 S HA -0.039 4.431 4.470 0.000 0.000 0.227 375 S C 1.782 176.344 174.600 -0.064 0.000 1.026 375 S CA 1.257 59.398 58.200 -0.098 0.000 0.981 375 S CB -0.392 62.746 63.200 -0.103 0.000 0.818 375 S HN 0.520 nan 8.310 nan 0.000 0.472 376 L N 0.985 122.179 121.223 -0.048 0.000 2.093 376 L HA -0.052 4.289 4.340 0.000 0.000 0.208 376 L C 2.294 179.154 176.870 -0.016 0.000 1.085 376 L CA 0.773 55.600 54.840 -0.021 0.000 0.755 376 L CB -0.682 41.368 42.059 -0.016 0.000 0.904 376 L HN 0.207 nan 8.230 nan 0.000 0.435 377 V N 0.198 120.097 119.914 -0.024 0.000 2.358 377 V HA -0.266 3.854 4.120 0.000 0.000 0.246 377 V C 2.415 178.491 176.094 -0.031 0.000 1.047 377 V CA 1.499 63.808 62.300 0.016 0.000 1.035 377 V CB -0.288 31.566 31.823 0.051 0.000 0.658 377 V HN 0.342 nan 8.190 nan 0.000 0.452 378 L N 0.007 121.184 121.223 -0.076 0.000 2.083 378 L HA -0.151 4.189 4.340 0.000 0.000 0.209 378 L C 2.745 179.583 176.870 -0.053 0.000 1.083 378 L CA 1.522 56.313 54.840 -0.081 0.000 0.752 378 L CB -0.847 41.145 42.059 -0.113 0.000 0.899 378 L HN 0.378 nan 8.230 nan 0.000 0.433 379 A N 0.471 123.265 122.820 -0.043 0.000 1.902 379 A HA -0.144 4.176 4.320 0.000 0.000 0.217 379 A C 2.402 179.972 177.584 -0.023 0.000 1.181 379 A CA 1.766 53.784 52.037 -0.031 0.000 0.623 379 A CB -1.192 17.795 19.000 -0.021 0.000 0.818 379 A HN 0.448 nan 8.150 nan 0.000 0.443 380 G N -0.957 107.834 108.800 -0.015 0.000 2.422 380 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 380 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 380 G C 1.543 176.434 174.900 -0.016 0.000 1.146 380 G CA 1.287 46.382 45.100 -0.007 0.000 0.769 380 G HN 0.531 nan 8.290 nan 0.000 0.547 381 C N 0.813 120.099 119.300 -0.024 0.000 2.422 381 C HA 0.010 4.470 4.460 0.000 0.000 0.279 381 C C 2.644 177.620 174.990 -0.023 0.000 1.305 381 C CA 0.911 59.913 59.018 -0.026 0.000 1.757 381 C CB -0.928 26.794 27.740 -0.030 0.000 1.962 381 C HN 0.661 nan 8.230 nan 0.000 0.499 382 I N -1.174 119.381 120.570 -0.026 0.000 3.968 382 I HA 0.373 4.543 4.170 0.000 0.000 0.328 382 I C 1.067 177.171 176.117 -0.023 0.000 1.290 382 I CA -0.083 61.202 61.300 -0.024 0.000 1.163 382 I CB -0.400 37.583 38.000 -0.029 0.000 1.024 382 I HN 0.077 nan 8.210 nan 0.000 0.413 383 A N 1.615 124.422 122.820 -0.022 0.000 2.313 383 A HA 0.335 4.655 4.320 0.000 0.000 0.261 383 A C -0.153 177.422 177.584 -0.016 0.000 1.090 383 A CA -0.201 51.824 52.037 -0.020 0.000 0.807 383 A CB 0.313 19.301 19.000 -0.019 0.000 1.055 383 A HN 0.404 nan 8.150 nan 0.000 0.492 384 E N -0.190 120.001 120.200 -0.015 0.000 2.223 384 E HA 0.477 4.828 4.350 0.000 0.000 0.282 384 E C 0.717 177.312 176.600 -0.008 0.000 1.046 384 E CA 1.488 57.882 56.400 -0.011 0.000 0.857 384 E CB 0.220 29.914 29.700 -0.010 0.000 1.055 384 E HN 1.479 nan 8.360 nan 0.000 0.409 385 G N 2.984 111.780 108.800 -0.007 0.000 2.482 385 G HA2 -0.186 3.774 3.960 0.000 0.000 0.214 385 G HA3 -0.186 3.774 3.960 0.000 0.000 0.214 385 G C -0.540 174.357 174.900 -0.004 0.000 1.271 385 G CA -0.372 44.725 45.100 -0.005 0.000 0.944 385 G HN 0.594 nan 8.290 nan 0.000 0.568 386 T N 1.262 115.815 114.554 -0.000 0.000 2.795 386 T HA 0.676 5.026 4.350 0.000 0.000 0.282 386 T C -0.168 174.537 174.700 0.007 0.000 0.980 386 T CA 0.328 62.430 62.100 0.003 0.000 1.012 386 T CB 1.543 70.414 68.868 0.006 0.000 0.936 386 T HN 0.739 nan 8.240 nan 0.000 0.457 387 T N 2.736 117.297 114.554 0.012 0.000 2.824 387 T HA 0.526 4.876 4.350 0.000 0.000 0.282 387 T C -0.494 174.228 174.700 0.036 0.000 0.993 387 T CA -0.518 61.593 62.100 0.019 0.000 0.967 387 T CB 1.229 70.106 68.868 0.015 0.000 0.960 387 T HN 0.324 nan 8.240 nan 0.000 0.441 388 V N 4.000 123.937 119.914 0.038 0.000 2.357 388 V HA 0.396 4.516 4.120 0.000 0.000 0.284 388 V C -0.184 175.941 176.094 0.052 0.000 1.018 388 V CA -0.768 61.565 62.300 0.055 0.000 0.841 388 V CB 1.653 33.502 31.823 0.045 0.000 0.991 388 V HN 0.713 nan 8.190 nan 0.000 0.437 389 V N 4.063 124.021 119.914 0.074 0.000 2.318 389 V HA 0.286 4.406 4.120 0.000 0.000 0.271 389 V C 0.055 176.152 176.094 0.006 0.000 1.030 389 V CA -0.440 61.881 62.300 0.035 0.000 0.844 389 V CB 1.303 33.147 31.823 0.035 0.000 1.015 389 V HN 0.904 nan 8.190 nan 0.000 0.460 390 D N 4.083 124.486 120.400 0.005 0.000 2.339 390 D HA 0.305 4.945 4.640 0.000 0.000 0.245 390 D C 0.780 177.073 176.300 -0.012 0.000 1.115 390 D CA -0.080 53.926 54.000 0.009 0.000 0.917 390 D CB 0.470 41.286 40.800 0.028 0.000 1.192 390 D HN 0.510 nan 8.370 nan 0.000 0.428 391 R N 1.822 122.329 120.500 0.013 0.000 3.332 391 R HA -0.182 4.159 4.340 0.000 0.000 0.263 391 R C 0.807 176.988 176.300 -0.199 0.000 1.053 391 R CA 0.553 56.660 56.100 0.013 0.000 0.705 391 R CB -2.260 28.079 30.300 0.065 0.000 1.166 391 R HN 0.473 nan 8.270 nan 0.000 0.427 392 I N -2.181 118.250 120.570 -0.232 0.000 3.334 392 I HA -0.117 4.053 4.170 0.000 0.000 0.282 392 I C 2.027 177.937 176.117 -0.344 0.000 1.313 392 I CA 0.561 61.613 61.300 -0.414 0.000 1.396 392 I CB -0.875 36.587 38.000 -0.897 0.000 1.054 392 I HN 0.355 nan 8.210 nan 0.000 0.495 393 Y N -0.042 120.138 120.300 -0.200 0.000 2.315 393 Y HA -0.228 4.322 4.550 0.000 0.000 0.288 393 Y C 2.356 178.170 175.900 -0.143 0.000 1.154 393 Y CA 1.407 59.401 58.100 -0.177 0.000 1.229 393 Y CB -1.583 36.761 38.460 -0.195 0.000 0.980 393 Y HN 0.203 nan 8.280 nan 0.000 0.540 394 H N 0.519 119.157 119.070 -0.720 0.000 2.390 394 H HA -0.181 4.375 4.556 0.000 0.000 0.298 394 H C 2.299 177.531 175.328 -0.160 0.000 1.106 394 H CA 1.998 57.773 56.048 -0.454 0.000 1.297 394 H CB -0.255 29.210 29.762 -0.496 0.000 1.375 394 H HN 0.525 nan 8.280 nan 0.000 0.509 395 I N 0.980 121.524 120.570 -0.044 0.000 2.546 395 I HA -0.177 3.993 4.170 0.000 0.000 0.255 395 I C 1.043 177.250 176.117 0.150 0.000 1.163 395 I CA 0.935 62.259 61.300 0.040 0.000 1.457 395 I CB 0.051 37.982 38.000 -0.115 0.000 1.092 395 I HN 0.041 nan 8.210 nan 0.000 0.434 396 D N 0.572 121.021 120.400 0.082 0.000 2.378 396 D HA -0.072 4.568 4.640 0.000 0.000 0.227 396 D C 1.964 178.332 176.300 0.113 0.000 1.012 396 D CA 0.379 54.448 54.000 0.116 0.000 0.905 396 D CB -0.052 40.802 40.800 0.090 0.000 0.895 396 D HN 0.370 nan 8.370 nan 0.000 0.532 397 R N -0.142 120.426 120.500 0.112 0.000 2.127 397 R HA 0.043 4.384 4.340 0.000 0.000 0.217 397 R C 1.740 178.075 176.300 0.058 0.000 1.074 397 R CA 0.933 57.085 56.100 0.086 0.000 0.991 397 R CB 0.239 30.591 30.300 0.088 0.000 0.895 397 R HN 0.117 nan 8.270 nan 0.000 0.450 398 G N -1.424 107.417 108.800 0.068 0.000 3.342 398 G HA2 0.115 4.075 3.960 0.000 0.000 0.252 398 G HA3 0.115 4.075 3.960 0.000 0.000 0.252 398 G C -0.507 174.205 174.900 -0.313 0.000 1.011 398 G CA -0.145 44.886 45.100 -0.114 0.000 0.869 398 G HN 0.049 nan 8.290 nan 0.000 0.514 399 Y N 0.214 120.551 120.300 0.062 0.000 2.406 399 Y HA 0.457 5.007 4.550 0.000 0.000 0.340 399 Y C -0.163 175.798 175.900 0.103 0.000 0.975 399 Y CA -1.286 56.870 58.100 0.093 0.000 1.056 399 Y CB 1.972 40.489 38.460 0.095 0.000 1.210 399 Y HN -0.018 nan 8.280 nan 0.000 0.448 400 E N 4.089 124.428 120.200 0.233 0.000 2.052 400 E HA 0.238 4.588 4.350 0.000 0.000 0.283 400 E C -0.329 176.385 176.600 0.191 0.000 1.071 400 E CA -0.330 56.170 56.400 0.167 0.000 0.851 400 E CB 0.209 29.974 29.700 0.109 0.000 1.066 400 E HN 0.624 nan 8.360 nan 0.000 0.396 401 R N 3.627 124.235 120.500 0.180 0.000 3.158 401 R HA -0.237 4.103 4.340 0.000 0.000 0.244 401 R C 1.148 177.566 176.300 0.197 0.000 0.900 401 R CA 0.304 56.508 56.100 0.173 0.000 0.618 401 R CB -1.556 28.814 30.300 0.117 0.000 1.061 401 R HN 0.775 nan 8.270 nan 0.000 0.471 402 I N 1.343 122.068 120.570 0.257 0.000 2.315 402 I HA -0.334 3.836 4.170 0.000 0.000 0.251 402 I C 2.581 178.794 176.117 0.160 0.000 1.125 402 I CA 2.131 63.586 61.300 0.259 0.000 1.392 402 I CB -0.050 38.050 38.000 0.166 0.000 1.065 402 I HN 0.481 nan 8.210 nan 0.000 0.424 403 E N 0.379 120.627 120.200 0.079 0.000 2.110 403 E HA -0.283 4.067 4.350 0.000 0.000 0.193 403 E C 1.323 177.896 176.600 -0.046 0.000 0.988 403 E CA 1.648 57.970 56.400 -0.131 0.000 0.804 403 E CB -0.547 28.922 29.700 -0.386 0.000 0.745 403 E HN 0.513 nan 8.360 nan 0.000 0.458 404 D N 1.720 122.130 120.400 0.017 0.000 2.084 404 D HA -0.086 4.554 4.640 0.000 0.000 0.196 404 D C 1.949 178.264 176.300 0.026 0.000 0.985 404 D CA 1.397 55.406 54.000 0.015 0.000 0.826 404 D CB -0.181 40.636 40.800 0.029 0.000 0.978 404 D HN 0.263 nan 8.370 nan 0.000 0.456 405 K N 0.172 120.613 120.400 0.069 0.000 2.147 405 K HA -0.041 4.279 4.320 0.000 0.000 0.205 405 K C 2.255 178.914 176.600 0.099 0.000 1.049 405 K CA 0.528 56.840 56.287 0.042 0.000 0.936 405 K CB -0.066 32.457 32.500 0.038 0.000 0.722 405 K HN 0.158 nan 8.250 nan 0.000 0.446 406 L N 0.335 121.657 121.223 0.164 0.000 2.109 406 L HA -0.084 4.256 4.340 0.000 0.000 0.207 406 L C 2.679 179.573 176.870 0.039 0.000 1.086 406 L CA 0.799 55.723 54.840 0.140 0.000 0.760 406 L CB -0.220 41.884 42.059 0.076 0.000 0.910 406 L HN 0.147 nan 8.230 nan 0.000 0.437 407 R N 0.394 120.893 120.500 -0.001 0.000 2.115 407 R HA -0.130 4.210 4.340 0.000 0.000 0.230 407 R C 2.117 178.409 176.300 -0.014 0.000 1.111 407 R CA 1.233 57.318 56.100 -0.025 0.000 0.976 407 R CB -0.132 30.143 30.300 -0.043 0.000 0.870 407 R HN 0.315 nan 8.270 nan 0.000 0.445 408 A N 0.260 123.074 122.820 -0.010 0.000 2.209 408 A HA 0.005 4.326 4.320 0.000 0.000 0.212 408 A C 1.690 179.264 177.584 -0.016 0.000 1.158 408 A CA 0.667 52.692 52.037 -0.019 0.000 0.742 408 A CB -0.077 18.904 19.000 -0.032 0.000 0.790 408 A HN 0.332 nan 8.150 nan 0.000 0.472 409 L N -1.952 119.272 121.223 0.002 0.000 2.640 409 L HA 0.291 4.631 4.340 0.000 0.000 0.230 409 L C 1.488 178.362 176.870 0.006 0.000 1.123 409 L CA 0.581 55.427 54.840 0.011 0.000 0.900 409 L CB 0.292 42.382 42.059 0.051 0.000 1.146 409 L HN 0.514 nan 8.230 nan 0.000 0.484 410 G N 0.045 108.843 108.800 -0.003 0.000 2.168 410 G HA2 -0.185 3.775 3.960 0.000 0.000 0.197 410 G HA3 -0.185 3.775 3.960 0.000 0.000 0.197 410 G C 0.314 175.206 174.900 -0.013 0.000 0.997 410 G CA -0.159 44.935 45.100 -0.009 0.000 0.658 410 G HN 0.387 nan 8.290 nan 0.000 0.513 411 A N 0.119 122.931 122.820 -0.014 0.000 2.388 411 A HA 0.601 4.921 4.320 0.000 0.000 0.257 411 A C 0.488 178.045 177.584 -0.045 0.000 1.095 411 A CA 0.092 52.112 52.037 -0.029 0.000 0.791 411 A CB 0.415 19.396 19.000 -0.032 0.000 1.029 411 A HN 0.498 nan 8.150 nan 0.000 0.489 412 N N 2.139 120.810 118.700 -0.047 0.000 2.645 412 N HA 0.353 5.093 4.740 0.000 0.000 0.233 412 N C -1.305 174.158 175.510 -0.077 0.000 1.058 412 N CA 0.015 53.034 53.050 -0.052 0.000 0.942 412 N CB 0.234 38.700 38.487 -0.036 0.000 1.210 412 N HN 0.657 nan 8.380 nan 0.000 0.512 413 I N 1.094 121.595 120.570 -0.116 0.000 2.686 413 I HA 0.421 4.591 4.170 0.000 0.000 0.295 413 I C -1.259 174.725 176.117 -0.222 0.000 1.114 413 I CA -0.639 60.543 61.300 -0.196 0.000 1.038 413 I CB 2.080 39.908 38.000 -0.287 0.000 1.238 413 I HN 0.365 nan 8.210 nan 0.000 0.420 414 E N 7.133 127.194 120.200 -0.230 0.000 2.308 414 E HA 0.343 4.693 4.350 0.000 0.000 0.275 414 E C -1.541 174.996 176.600 -0.106 0.000 0.890 414 E CA -0.934 55.373 56.400 -0.155 0.000 0.754 414 E CB 2.035 31.698 29.700 -0.061 0.000 1.207 414 E HN 0.628 nan 8.360 nan 0.000 0.426 415 R N 3.876 124.362 120.500 -0.023 0.000 2.202 415 R HA 0.352 4.692 4.340 0.000 0.000 0.334 415 R C -0.440 175.948 176.300 0.147 0.000 1.036 415 R CA -0.364 55.865 56.100 0.216 0.000 0.878 415 R CB 0.679 31.159 30.300 0.300 0.000 1.067 415 R HN 0.374 nan 8.270 nan 0.000 0.457 416 V N 1.434 121.442 119.914 0.156 0.000 3.019 416 V HA 0.567 4.687 4.120 0.000 0.000 0.317 416 V C -0.063 176.082 176.094 0.087 0.000 1.094 416 V CA -0.921 61.436 62.300 0.095 0.000 1.000 416 V CB 2.135 34.002 31.823 0.073 0.000 1.060 416 V HN 0.641 nan 8.190 nan 0.000 0.443 417 K N 1.643 122.079 120.400 0.060 0.000 3.590 417 K HA 0.435 4.755 4.320 0.000 0.000 0.170 417 K C 1.567 178.191 176.600 0.040 0.000 1.138 417 K CA 0.639 56.954 56.287 0.047 0.000 1.560 417 K CB -1.045 31.476 32.500 0.036 0.000 2.149 417 K HN 1.813 nan 8.250 nan 0.000 0.487 418 G N 3.119 111.938 108.800 0.031 0.000 2.212 418 G HA2 -0.376 3.584 3.960 0.000 0.000 0.267 418 G HA3 -0.376 3.584 3.960 0.000 0.000 0.267 418 G C 0.059 174.974 174.900 0.025 0.000 1.002 418 G CA 1.550 46.666 45.100 0.026 0.000 0.729 418 G HN 0.612 nan 8.290 nan 0.000 0.517 419 E N 0.000 120.214 120.200 0.023 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.412 56.400 0.020 0.000 0.976 419 E CB 0.000 29.707 29.700 0.012 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440