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 1m9n_1_B DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.299 176.300 -0.002 0.000 0.893 4 R CA 0.000 56.102 56.100 0.003 0.000 0.921 4 R CB 0.000 30.305 30.300 0.009 0.000 0.687 5 Q N 3.410 123.206 119.800 -0.006 0.000 2.297 5 Q HA 0.101 4.480 4.340 0.065 0.000 0.267 5 Q C -0.519 175.471 176.000 -0.016 0.000 1.006 5 Q CA 0.180 55.975 55.803 -0.014 0.000 0.896 5 Q CB 0.923 29.650 28.738 -0.018 0.000 1.186 5 Q HN 0.404 nan 8.270 nan 0.000 0.392 6 Q N 2.796 122.583 119.800 -0.022 0.000 2.382 6 Q HA 0.401 4.780 4.340 0.065 0.000 0.229 6 Q C -0.513 175.461 176.000 -0.043 0.000 1.006 6 Q CA -0.150 55.637 55.803 -0.027 0.000 0.916 6 Q CB 0.925 29.647 28.738 -0.027 0.000 1.235 6 Q HN 0.594 nan 8.270 nan 0.000 0.512 7 L N -0.009 121.182 121.223 -0.052 0.000 2.319 7 L HA 0.806 5.185 4.340 0.065 0.000 0.267 7 L C -0.751 176.064 176.870 -0.091 0.000 1.011 7 L CA -1.176 53.621 54.840 -0.071 0.000 0.818 7 L CB 1.787 43.804 42.059 -0.070 0.000 1.316 7 L HN 0.596 nan 8.230 nan 0.000 0.432 8 A N 2.021 124.774 122.820 -0.112 0.000 2.319 8 A HA 0.683 5.042 4.320 0.065 0.000 0.310 8 A C -1.207 176.298 177.584 -0.133 0.000 1.152 8 A CA -0.398 51.554 52.037 -0.141 0.000 0.783 8 A CB 1.328 20.209 19.000 -0.199 0.000 1.184 8 A HN 0.541 nan 8.150 nan 0.000 0.474 9 L N 3.506 124.655 121.223 -0.124 0.000 2.282 9 L HA 0.778 5.157 4.340 0.065 0.000 0.288 9 L C -1.417 175.390 176.870 -0.106 0.000 1.033 9 L CA -0.201 54.571 54.840 -0.113 0.000 0.807 9 L CB 0.871 42.859 42.059 -0.119 0.000 1.209 9 L HN 0.529 nan 8.230 nan 0.000 0.423 10 L N 4.670 125.838 121.223 -0.092 0.000 2.362 10 L HA 0.698 5.076 4.340 0.065 0.000 0.275 10 L C -0.103 176.742 176.870 -0.041 0.000 0.998 10 L CA -0.159 54.639 54.840 -0.071 0.000 0.820 10 L CB 1.943 43.950 42.059 -0.088 0.000 1.270 10 L HN 0.636 nan 8.230 nan 0.000 0.415 11 S N 2.473 118.159 115.700 -0.022 0.000 2.511 11 S HA 0.668 5.177 4.470 0.065 0.000 0.233 11 S C -1.128 173.478 174.600 0.010 0.000 1.104 11 S CA -0.528 57.667 58.200 -0.009 0.000 1.129 11 S CB 0.652 63.832 63.200 -0.033 0.000 1.159 11 S HN 0.454 nan 8.310 nan 0.000 0.451 12 V N 2.169 122.107 119.914 0.041 0.000 2.709 12 V HA 0.705 4.863 4.120 0.065 0.000 0.308 12 V C 0.772 176.917 176.094 0.086 0.000 1.062 12 V CA -0.609 61.729 62.300 0.063 0.000 0.901 12 V CB 1.528 33.408 31.823 0.094 0.000 1.003 12 V HN 0.488 nan 8.190 nan 0.000 0.425 13 S N 1.341 117.103 115.700 0.103 0.000 2.406 13 S HA 0.043 4.552 4.470 0.065 0.000 0.224 13 S C 0.789 175.445 174.600 0.093 0.000 1.030 13 S CA 1.088 59.366 58.200 0.130 0.000 0.958 13 S CB -0.077 63.236 63.200 0.187 0.000 0.811 13 S HN 0.958 nan 8.310 nan 0.000 0.489 14 E N 1.951 122.199 120.200 0.081 0.000 2.081 14 E HA 0.191 4.580 4.350 0.065 0.000 0.281 14 E C 0.037 176.685 176.600 0.080 0.000 0.986 14 E CA -0.061 56.377 56.400 0.063 0.000 0.796 14 E CB 0.496 30.220 29.700 0.039 0.000 1.085 14 E HN 0.042 nan 8.360 nan 0.000 0.398 15 K N 2.943 123.389 120.400 0.076 0.000 2.387 15 K HA 0.286 4.644 4.320 0.065 0.000 0.198 15 K C 0.177 176.841 176.600 0.108 0.000 1.022 15 K CA -0.063 56.282 56.287 0.096 0.000 1.128 15 K CB 0.617 33.161 32.500 0.072 0.000 0.853 15 K HN 0.471 nan 8.250 nan 0.000 0.523 16 A N 1.125 123.992 122.820 0.078 0.000 2.566 16 A HA 0.309 4.668 4.320 0.065 0.000 0.245 16 A C 1.351 179.010 177.584 0.126 0.000 1.056 16 A CA 1.067 53.142 52.037 0.062 0.000 0.757 16 A CB -0.540 18.464 19.000 0.007 0.000 0.979 16 A HN 0.589 nan 8.150 nan 0.000 0.508 17 G N 1.395 110.280 108.800 0.142 0.000 2.184 17 G HA2 -0.282 3.717 3.960 0.065 0.000 0.264 17 G HA3 -0.282 3.717 3.960 0.065 0.000 0.264 17 G C 0.882 175.982 174.900 0.333 0.000 0.975 17 G CA 0.873 46.118 45.100 0.243 0.000 0.642 17 G HN 1.607 nan 8.290 nan 0.000 0.536 18 L N 0.939 122.321 121.223 0.266 0.000 2.013 18 L HA -0.032 4.346 4.340 0.065 0.000 0.212 18 L C 2.864 179.775 176.870 0.069 0.000 1.073 18 L CA 2.966 57.901 54.840 0.158 0.000 0.753 18 L CB -0.757 41.370 42.059 0.114 0.000 0.890 18 L HN 0.289 nan 8.230 nan 0.000 0.432 19 V N -0.190 119.765 119.914 0.069 0.000 2.261 19 V HA -0.284 3.875 4.120 0.065 0.000 0.246 19 V C 2.657 178.774 176.094 0.039 0.000 1.047 19 V CA 1.917 64.238 62.300 0.035 0.000 1.015 19 V CB -0.781 31.062 31.823 0.034 0.000 0.642 19 V HN 0.603 nan 8.190 nan 0.000 0.446 20 E N 0.182 120.429 120.200 0.078 0.000 2.085 20 E HA -0.253 4.135 4.350 0.065 0.000 0.194 20 E C 1.933 178.608 176.600 0.124 0.000 0.994 20 E CA 1.626 58.079 56.400 0.088 0.000 0.801 20 E CB -0.515 29.245 29.700 0.099 0.000 0.743 20 E HN 0.452 nan 8.360 nan 0.000 0.453 21 F N 0.806 120.703 119.950 -0.088 0.000 2.102 21 F HA 0.022 4.587 4.527 0.064 0.000 0.298 21 F C 2.150 177.842 175.800 -0.180 0.000 1.105 21 F CA 1.423 59.305 58.000 -0.198 0.000 1.239 21 F CB -1.091 37.574 39.000 -0.559 0.000 0.991 21 F HN 0.125 nan 8.300 nan 0.000 0.474 22 A N 0.636 123.339 122.820 -0.195 0.000 1.933 22 A HA -0.183 4.176 4.320 0.065 0.000 0.218 22 A C 2.419 179.900 177.584 -0.171 0.000 1.175 22 A CA 1.523 53.404 52.037 -0.261 0.000 0.628 22 A CB -0.681 18.219 19.000 -0.166 0.000 0.814 22 A HN 0.407 nan 8.150 nan 0.000 0.444 23 R N -0.320 120.130 120.500 -0.085 0.000 2.091 23 R HA -0.102 4.277 4.340 0.065 0.000 0.238 23 R C 2.526 178.791 176.300 -0.058 0.000 1.136 23 R CA 1.638 57.706 56.100 -0.054 0.000 0.959 23 R CB -0.506 29.784 30.300 -0.016 0.000 0.856 23 R HN 0.514 nan 8.270 nan 0.000 0.437 24 S N 1.238 116.911 115.700 -0.044 0.000 2.356 24 S HA -0.076 4.432 4.470 0.065 0.000 0.223 24 S C 2.023 176.566 174.600 -0.096 0.000 1.032 24 S CA 1.041 59.224 58.200 -0.027 0.000 1.005 24 S CB -0.171 63.070 63.200 0.068 0.000 0.867 24 S HN 0.205 nan 8.310 nan 0.000 0.449 25 L N 1.638 122.726 121.223 -0.224 0.000 2.083 25 L HA -0.151 4.227 4.340 0.065 0.000 0.209 25 L C 2.379 179.154 176.870 -0.159 0.000 1.083 25 L CA 1.301 55.989 54.840 -0.254 0.000 0.752 25 L CB -0.702 41.096 42.059 -0.435 0.000 0.899 25 L HN 0.345 nan 8.230 nan 0.000 0.433 26 N N 0.679 119.295 118.700 -0.139 0.000 2.069 26 N HA -0.204 4.575 4.740 0.065 0.000 0.191 26 N C 1.809 177.280 175.510 -0.066 0.000 1.031 26 N CA 1.649 54.643 53.050 -0.094 0.000 0.852 26 N CB -0.118 38.322 38.487 -0.078 0.000 1.018 26 N HN 0.253 nan 8.380 nan 0.000 0.423 27 A N 0.250 123.037 122.820 -0.056 0.000 2.076 27 A HA -0.037 4.322 4.320 0.065 0.000 0.220 27 A C 2.119 179.683 177.584 -0.033 0.000 1.160 27 A CA 0.923 52.939 52.037 -0.035 0.000 0.653 27 A CB -0.715 18.272 19.000 -0.022 0.000 0.801 27 A HN 0.432 nan 8.150 nan 0.000 0.455 28 L N -1.733 119.463 121.223 -0.045 0.000 2.552 28 L HA 0.137 4.516 4.340 0.065 0.000 0.227 28 L C 1.728 178.576 176.870 -0.038 0.000 1.146 28 L CA 0.639 55.456 54.840 -0.038 0.000 0.858 28 L CB -0.182 41.849 42.059 -0.047 0.000 0.969 28 L HN 0.600 nan 8.230 nan 0.000 0.451 29 G N 0.035 108.809 108.800 -0.043 0.000 2.179 29 G HA2 -0.222 3.777 3.960 0.065 0.000 0.220 29 G HA3 -0.222 3.777 3.960 0.065 0.000 0.220 29 G C 0.078 174.950 174.900 -0.046 0.000 0.990 29 G CA -0.499 44.578 45.100 -0.038 0.000 0.646 29 G HN 0.161 nan 8.290 nan 0.000 0.517 30 L N 1.475 122.660 121.223 -0.064 0.000 2.326 30 L HA 0.614 4.993 4.340 0.065 0.000 0.278 30 L C 1.306 178.131 176.870 -0.076 0.000 1.092 30 L CA -0.261 54.535 54.840 -0.073 0.000 0.810 30 L CB 1.344 43.344 42.059 -0.099 0.000 1.153 30 L HN 0.171 nan 8.230 nan 0.000 0.439 31 G N 4.094 112.855 108.800 -0.065 0.000 2.380 31 G HA2 0.448 4.447 3.960 0.065 0.000 0.262 31 G HA3 0.448 4.447 3.960 0.065 0.000 0.262 31 G C -0.286 174.568 174.900 -0.078 0.000 1.243 31 G CA -0.591 44.471 45.100 -0.062 0.000 0.865 31 G HN 0.415 nan 8.290 nan 0.000 0.513 32 L N 2.740 123.915 121.223 -0.080 0.000 2.331 32 L HA 0.505 4.883 4.340 0.065 0.000 0.278 32 L C 0.416 177.240 176.870 -0.077 0.000 1.106 32 L CA -0.500 54.285 54.840 -0.093 0.000 0.824 32 L CB 0.982 42.983 42.059 -0.096 0.000 1.142 32 L HN 0.508 nan 8.230 nan 0.000 0.443 33 I N 0.635 121.155 120.570 -0.083 0.000 2.608 33 I HA 0.982 5.191 4.170 0.065 0.000 0.295 33 I C -0.643 175.432 176.117 -0.070 0.000 1.049 33 I CA -0.630 60.627 61.300 -0.072 0.000 1.063 33 I CB 2.191 40.145 38.000 -0.078 0.000 1.248 33 I HN 0.609 nan 8.210 nan 0.000 0.424 34 A N 3.169 125.956 122.820 -0.054 0.000 2.594 34 A HA 0.748 5.107 4.320 0.065 0.000 0.295 34 A C -0.404 177.165 177.584 -0.024 0.000 1.071 34 A CA -0.482 51.529 52.037 -0.042 0.000 0.685 34 A CB 1.521 20.499 19.000 -0.037 0.000 1.285 34 A HN 0.968 nan 8.150 nan 0.000 0.405 35 S N 0.449 116.142 115.700 -0.012 0.000 2.584 35 S HA 0.431 4.940 4.470 0.065 0.000 0.270 35 S C 1.468 176.080 174.600 0.020 0.000 1.346 35 S CA 0.078 58.285 58.200 0.011 0.000 1.018 35 S CB 0.832 64.047 63.200 0.026 0.000 0.899 35 S HN 2.031 nan 8.310 nan 0.000 0.542 36 G N 1.514 110.333 108.800 0.031 0.000 2.649 36 G HA2 -0.212 3.787 3.960 0.065 0.000 0.220 36 G HA3 -0.212 3.787 3.960 0.065 0.000 0.220 36 G C 1.371 176.289 174.900 0.029 0.000 1.189 36 G CA 0.957 46.075 45.100 0.030 0.000 0.777 36 G HN 1.036 nan 8.290 nan 0.000 0.602 37 G N -0.460 108.365 108.800 0.042 0.000 2.421 37 G HA2 -0.113 3.886 3.960 0.065 0.000 0.216 37 G HA3 -0.113 3.886 3.960 0.065 0.000 0.216 37 G C 1.869 176.788 174.900 0.032 0.000 1.171 37 G CA 1.773 46.898 45.100 0.040 0.000 0.775 37 G HN 0.416 nan 8.290 nan 0.000 0.543 38 T N 1.576 116.148 114.554 0.032 0.000 2.788 38 T HA 0.034 4.423 4.350 0.065 0.000 0.268 38 T C 2.799 177.503 174.700 0.007 0.000 1.044 38 T CA 1.450 63.563 62.100 0.022 0.000 1.139 38 T CB -0.319 68.559 68.868 0.016 0.000 0.867 38 T HN 0.370 nan 8.240 nan 0.000 0.454 39 A N 1.318 124.139 122.820 0.003 0.000 1.877 39 A HA -0.130 4.229 4.320 0.065 0.000 0.216 39 A C 2.560 180.143 177.584 -0.001 0.000 1.186 39 A CA 2.124 54.157 52.037 -0.006 0.000 0.620 39 A CB -1.322 17.674 19.000 -0.007 0.000 0.822 39 A HN 0.458 nan 8.150 nan 0.000 0.443 40 T N 0.486 115.044 114.554 0.006 0.000 2.635 40 T HA -0.133 4.256 4.350 0.065 0.000 0.267 40 T C 2.227 176.931 174.700 0.007 0.000 1.040 40 T CA 1.982 64.086 62.100 0.007 0.000 1.156 40 T CB -0.583 68.293 68.868 0.012 0.000 0.863 40 T HN 0.633 nan 8.240 nan 0.000 0.430 41 A N 1.075 123.902 122.820 0.011 0.000 1.883 41 A HA -0.037 4.322 4.320 0.065 0.000 0.217 41 A C 2.352 179.940 177.584 0.007 0.000 1.186 41 A CA 1.379 53.424 52.037 0.014 0.000 0.624 41 A CB -0.919 18.094 19.000 0.022 0.000 0.822 41 A HN 0.487 nan 8.150 nan 0.000 0.444 42 L N -1.294 119.929 121.223 0.000 0.000 2.046 42 L HA -0.173 4.206 4.340 0.065 0.000 0.208 42 L C 2.894 179.758 176.870 -0.010 0.000 1.077 42 L CA 1.378 56.212 54.840 -0.010 0.000 0.747 42 L CB -0.419 41.626 42.059 -0.024 0.000 0.896 42 L HN 0.363 nan 8.230 nan 0.000 0.432 43 R N -0.237 120.258 120.500 -0.008 0.000 2.115 43 R HA -0.125 4.254 4.340 0.065 0.000 0.230 43 R C 1.679 177.977 176.300 -0.003 0.000 1.111 43 R CA 1.126 57.221 56.100 -0.007 0.000 0.976 43 R CB -0.286 30.010 30.300 -0.007 0.000 0.870 43 R HN 0.347 nan 8.270 nan 0.000 0.445 44 D N 0.526 120.926 120.400 0.001 0.000 2.309 44 D HA -0.104 4.575 4.640 0.065 0.000 0.212 44 D C 1.173 177.475 176.300 0.003 0.000 0.968 44 D CA 1.034 55.035 54.000 0.003 0.000 0.882 44 D CB 0.105 40.909 40.800 0.006 0.000 0.918 44 D HN 0.245 nan 8.370 nan 0.000 0.503 45 A N -0.681 122.140 122.820 0.002 0.000 2.348 45 A HA 0.496 4.855 4.320 0.065 0.000 0.224 45 A C 1.596 179.179 177.584 -0.001 0.000 1.227 45 A CA 0.671 52.709 52.037 0.003 0.000 0.885 45 A CB 0.151 19.154 19.000 0.005 0.000 0.933 45 A HN 0.170 nan 8.150 nan 0.000 0.506 46 G N -0.907 107.890 108.800 -0.004 0.000 2.132 46 G HA2 -0.173 3.826 3.960 0.065 0.000 0.234 46 G HA3 -0.173 3.826 3.960 0.065 0.000 0.234 46 G C -0.097 174.796 174.900 -0.012 0.000 0.989 46 G CA 0.190 45.286 45.100 -0.007 0.000 0.676 46 G HN 0.412 nan 8.290 nan 0.000 0.522 47 L N 0.871 122.085 121.223 -0.016 0.000 2.296 47 L HA 0.416 4.795 4.340 0.065 0.000 0.286 47 L C -2.022 174.833 176.870 -0.026 0.000 1.023 47 L CA -2.136 52.690 54.840 -0.024 0.000 0.812 47 L CB 1.860 43.900 42.059 -0.032 0.000 1.223 47 L HN -0.117 nan 8.230 nan 0.000 0.421 48 P HA 0.138 nan 4.420 nan 0.000 0.271 48 P C -1.043 176.236 177.300 -0.035 0.000 1.220 48 P CA 0.005 63.089 63.100 -0.027 0.000 0.768 48 P CB 1.240 32.924 31.700 -0.027 0.000 0.848 49 V N 3.857 123.752 119.914 -0.032 0.000 2.891 49 V HA 0.417 4.576 4.120 0.065 0.000 0.304 49 V C -0.975 175.099 176.094 -0.032 0.000 1.171 49 V CA -0.979 61.298 62.300 -0.038 0.000 0.943 49 V CB 2.255 34.054 31.823 -0.040 0.000 1.037 49 V HN 0.398 nan 8.190 nan 0.000 0.427 50 R N 4.068 124.546 120.500 -0.037 0.000 2.297 50 R HA 0.388 4.767 4.340 0.065 0.000 0.308 50 R C -0.544 175.736 176.300 -0.033 0.000 1.029 50 R CA -0.564 55.516 56.100 -0.033 0.000 0.929 50 R CB 0.775 31.053 30.300 -0.035 0.000 1.046 50 R HN 0.770 nan 8.270 nan 0.000 0.461 51 D N 3.241 123.625 120.400 -0.026 0.000 2.414 51 D HA -0.045 4.633 4.640 0.065 0.000 0.242 51 D C 1.283 177.562 176.300 -0.036 0.000 1.129 51 D CA 0.002 53.987 54.000 -0.024 0.000 0.885 51 D CB 1.649 42.440 40.800 -0.014 0.000 1.198 51 D HN 0.284 nan 8.370 nan 0.000 0.437 52 V N 2.522 122.411 119.914 -0.041 0.000 2.407 52 V HA -0.278 3.881 4.120 0.065 0.000 0.248 52 V C 2.452 178.494 176.094 -0.086 0.000 1.055 52 V CA 2.262 64.521 62.300 -0.068 0.000 1.049 52 V CB -0.537 31.250 31.823 -0.059 0.000 0.662 52 V HN 0.638 nan 8.190 nan 0.000 0.455 53 S N -0.408 115.260 115.700 -0.053 0.000 2.383 53 S HA -0.308 4.201 4.470 0.065 0.000 0.229 53 S C 1.877 176.456 174.600 -0.035 0.000 1.030 53 S CA 1.719 59.895 58.200 -0.041 0.000 1.002 53 S CB -0.580 62.621 63.200 0.003 0.000 0.829 53 S HN 0.730 nan 8.310 nan 0.000 0.467 54 D N 0.838 121.220 120.400 -0.030 0.000 2.178 54 D HA -0.061 4.618 4.640 0.065 0.000 0.202 54 D C 1.791 178.078 176.300 -0.022 0.000 0.974 54 D CA 0.878 54.864 54.000 -0.023 0.000 0.841 54 D CB -0.070 40.718 40.800 -0.020 0.000 0.953 54 D HN 0.432 nan 8.370 nan 0.000 0.478 55 L N 0.287 121.486 121.223 -0.041 0.000 2.341 55 L HA 0.010 4.389 4.340 0.065 0.000 0.214 55 L C 2.268 179.117 176.870 -0.035 0.000 1.115 55 L CA 1.567 56.384 54.840 -0.038 0.000 0.820 55 L CB -0.221 41.798 42.059 -0.067 0.000 0.944 55 L HN 0.057 nan 8.230 nan 0.000 0.452 56 T N -5.417 109.094 114.554 -0.072 0.000 3.014 56 T HA 0.376 4.765 4.350 0.065 0.000 0.250 56 T C 1.540 176.329 174.700 0.147 0.000 1.060 56 T CA 0.393 62.465 62.100 -0.047 0.000 1.040 56 T CB 0.384 69.012 68.868 -0.400 0.000 0.971 56 T HN 0.415 nan 8.240 nan 0.000 0.497 57 G N 1.001 109.841 108.800 0.068 0.000 2.241 57 G HA2 -0.181 3.818 3.960 0.065 0.000 0.244 57 G HA3 -0.181 3.818 3.960 0.065 0.000 0.244 57 G C -0.148 174.705 174.900 -0.079 0.000 0.998 57 G CA -0.158 44.947 45.100 0.008 0.000 0.621 57 G HN 0.527 nan 8.290 nan 0.000 0.519 58 F N 3.423 123.325 119.950 -0.080 0.000 2.422 58 F HA 0.601 5.167 4.527 0.065 0.000 0.333 58 F C -1.148 174.635 175.800 -0.028 0.000 1.095 58 F CA -2.204 55.786 58.000 -0.016 0.000 1.038 58 F CB 1.704 40.762 39.000 0.096 0.000 1.156 58 F HN -0.097 nan 8.300 nan 0.000 0.483 59 P HA 0.132 nan 4.420 nan 0.000 0.276 59 P C -0.875 176.529 177.300 0.173 0.000 1.261 59 P CA -0.446 62.728 63.100 0.123 0.000 0.800 59 P CB 0.915 32.666 31.700 0.085 0.000 1.066 60 E N 0.342 120.618 120.200 0.126 0.000 2.373 60 E HA 0.374 4.763 4.350 0.065 0.000 0.263 60 E C 0.188 176.861 176.600 0.122 0.000 1.073 60 E CA -0.052 56.429 56.400 0.135 0.000 0.894 60 E CB 0.438 30.200 29.700 0.103 0.000 1.008 60 E HN 0.463 nan 8.360 nan 0.000 0.420 61 M N -0.413 119.258 119.600 0.118 0.000 2.682 61 M HA 0.354 4.873 4.480 0.065 0.000 0.272 61 M C -0.978 175.372 176.300 0.082 0.000 1.232 61 M CA -0.781 54.578 55.300 0.098 0.000 0.849 61 M CB 1.489 34.156 32.600 0.112 0.000 1.695 61 M HN 0.508 nan 8.290 nan 0.000 0.481 62 L N 0.356 121.621 121.223 0.069 0.000 3.717 62 L HA -0.164 4.215 4.340 0.065 0.000 0.411 62 L C 0.721 177.629 176.870 0.063 0.000 1.233 62 L CA 0.849 55.726 54.840 0.061 0.000 0.917 62 L CB -2.529 39.565 42.059 0.059 0.000 1.902 62 L HN 1.423 nan 8.230 nan 0.000 0.894 63 G N -0.987 107.849 108.800 0.060 0.000 2.272 63 G HA2 0.119 4.117 3.960 0.065 0.000 0.280 63 G HA3 0.119 4.117 3.960 0.065 0.000 0.280 63 G C 1.138 176.081 174.900 0.071 0.000 1.067 63 G CA 0.641 45.773 45.100 0.053 0.000 0.902 63 G HN 1.934 nan 8.290 nan 0.000 0.500 64 G N -1.295 107.562 108.800 0.096 0.000 2.179 64 G HA2 -0.332 3.667 3.960 0.065 0.000 0.260 64 G HA3 -0.332 3.667 3.960 0.065 0.000 0.260 64 G C 1.210 176.222 174.900 0.186 0.000 0.977 64 G CA 1.204 46.390 45.100 0.144 0.000 0.641 64 G HN 0.931 nan 8.290 nan 0.000 0.533 65 R N -0.779 119.806 120.500 0.142 0.000 2.115 65 R HA 0.210 4.589 4.340 0.065 0.000 0.226 65 R C 0.552 176.904 176.300 0.088 0.000 1.100 65 R CA 1.376 57.558 56.100 0.137 0.000 0.980 65 R CB 0.210 30.572 30.300 0.104 0.000 0.875 65 R HN 0.347 nan 8.270 nan 0.000 0.445 66 V N 1.208 121.166 119.914 0.072 0.000 2.380 66 V HA 0.178 4.336 4.120 0.065 0.000 0.286 66 V C -0.137 176.006 176.094 0.081 0.000 1.015 66 V CA -0.315 62.003 62.300 0.029 0.000 0.834 66 V CB 1.643 33.459 31.823 -0.011 0.000 1.009 66 V HN 0.147 nan 8.190 nan 0.000 0.428 67 K N 1.606 122.062 120.400 0.093 0.000 2.485 67 K HA 0.130 4.489 4.320 0.065 0.000 0.200 67 K C 1.267 178.003 176.600 0.226 0.000 1.352 67 K CA 0.801 57.182 56.287 0.156 0.000 0.953 67 K CB 0.956 33.521 32.500 0.108 0.000 1.387 67 K HN 0.688 nan 8.250 nan 0.000 0.512 68 T N -1.399 113.249 114.554 0.157 0.000 3.170 68 T HA 0.330 4.719 4.350 0.065 0.000 0.288 68 T C 0.199 175.009 174.700 0.183 0.000 0.992 68 T CA -0.387 61.826 62.100 0.189 0.000 0.909 68 T CB -0.046 68.839 68.868 0.027 0.000 1.133 68 T HN -0.099 nan 8.240 nan 0.000 0.530 69 L N 3.561 124.772 121.223 -0.020 0.000 2.480 69 L HA 0.408 4.787 4.340 0.065 0.000 0.243 69 L C 0.003 176.632 176.870 -0.401 0.000 1.315 69 L CA -0.261 54.509 54.840 -0.116 0.000 1.231 69 L CB -0.662 41.285 42.059 -0.186 0.000 1.444 69 L HN 0.413 nan 8.230 nan 0.000 0.409 70 H N -0.624 118.464 119.070 0.030 0.000 2.895 70 H HA 0.261 4.856 4.556 0.065 0.000 0.373 70 H C -1.978 173.337 175.328 -0.022 0.000 1.174 70 H CA -1.957 54.048 56.048 -0.071 0.000 1.144 70 H CB 1.811 31.487 29.762 -0.144 0.000 1.793 70 H HN -0.093 nan 8.280 nan 0.000 0.551 71 P HA -0.131 nan 4.420 nan 0.000 0.218 71 P C 1.388 178.494 177.300 -0.324 0.000 1.148 71 P CA 1.738 64.858 63.100 0.033 0.000 0.822 71 P CB 0.061 31.876 31.700 0.192 0.000 0.784 72 A N -0.707 121.750 122.820 -0.605 0.000 1.933 72 A HA -0.150 4.208 4.320 0.065 0.000 0.218 72 A C 2.293 179.502 177.584 -0.626 0.000 1.175 72 A CA 1.793 53.098 52.037 -1.219 0.000 0.628 72 A CB -1.589 17.012 19.000 -0.664 0.000 0.814 72 A HN 0.056 nan 8.150 nan 0.000 0.444 73 V N -0.780 118.937 119.914 -0.328 0.000 2.273 73 V HA -0.170 3.989 4.120 0.065 0.000 0.242 73 V C 2.384 178.295 176.094 -0.305 0.000 1.035 73 V CA 1.808 63.934 62.300 -0.290 0.000 1.013 73 V CB -1.003 30.660 31.823 -0.266 0.000 0.652 73 V HN 0.646 nan 8.190 nan 0.000 0.452 74 H N 0.063 119.061 119.070 -0.120 0.000 2.423 74 H HA 0.010 4.604 4.556 0.064 0.000 0.297 74 H C 2.312 177.606 175.328 -0.057 0.000 1.075 74 H CA 1.566 57.570 56.048 -0.073 0.000 1.342 74 H CB -0.119 29.613 29.762 -0.049 0.000 1.395 74 H HN 0.456 nan 8.280 nan 0.000 0.530 75 A N 0.763 123.591 122.820 0.014 0.000 1.929 75 A HA -0.039 4.320 4.320 0.065 0.000 0.216 75 A C 2.800 180.397 177.584 0.022 0.000 1.176 75 A CA 1.275 53.349 52.037 0.062 0.000 0.628 75 A CB -0.945 18.172 19.000 0.195 0.000 0.816 75 A HN 0.436 nan 8.150 nan 0.000 0.444 76 G N -0.006 108.746 108.800 -0.081 0.000 2.432 76 G HA2 -0.165 3.834 3.960 0.065 0.000 0.219 76 G HA3 -0.165 3.834 3.960 0.065 0.000 0.219 76 G C 1.471 176.343 174.900 -0.047 0.000 1.135 76 G CA 1.210 46.272 45.100 -0.064 0.000 0.767 76 G HN 0.490 nan 8.290 nan 0.000 0.550 77 I N -0.302 120.230 120.570 -0.062 0.000 2.400 77 I HA 0.074 4.282 4.170 0.065 0.000 0.248 77 I C 2.412 178.530 176.117 0.002 0.000 1.109 77 I CA 0.505 61.778 61.300 -0.044 0.000 1.425 77 I CB 0.004 37.958 38.000 -0.077 0.000 1.094 77 I HN 0.082 nan 8.210 nan 0.000 0.425 78 L N 0.478 121.719 121.223 0.031 0.000 2.307 78 L HA 0.199 4.577 4.340 0.065 0.000 0.211 78 L C 1.450 178.343 176.870 0.039 0.000 1.099 78 L CA -0.290 54.578 54.840 0.047 0.000 0.816 78 L CB -0.319 41.783 42.059 0.072 0.000 0.952 78 L HN 0.093 nan 8.230 nan 0.000 0.455 79 A N 1.610 124.456 122.820 0.043 0.000 2.507 79 A HA 0.303 4.661 4.320 0.065 0.000 0.235 79 A C 0.290 177.889 177.584 0.025 0.000 1.070 79 A CA 0.106 52.170 52.037 0.044 0.000 0.768 79 A CB 0.112 19.149 19.000 0.062 0.000 1.011 79 A HN 0.373 nan 8.150 nan 0.000 0.502 80 R N 0.991 121.503 120.500 0.020 0.000 2.888 80 R HA 0.395 4.774 4.340 0.065 0.000 0.264 80 R C -0.820 175.485 176.300 0.008 0.000 1.045 80 R CA -0.996 55.108 56.100 0.008 0.000 0.962 80 R CB 0.621 30.920 30.300 -0.001 0.000 1.210 80 R HN 0.521 nan 8.270 nan 0.000 0.479 81 N N 1.436 120.137 118.700 0.002 0.000 3.193 81 N HA 0.149 4.928 4.740 0.065 0.000 0.312 81 N C -0.491 175.020 175.510 0.002 0.000 1.261 81 N CA -0.321 52.731 53.050 0.003 0.000 1.208 81 N CB -0.651 37.836 38.487 0.000 0.000 1.471 81 N HN 0.532 nan 8.380 nan 0.000 0.548 82 I N -2.839 117.733 120.570 0.005 0.000 2.730 82 I HA 0.540 4.749 4.170 0.065 0.000 0.298 82 I C -2.014 174.106 176.117 0.005 0.000 1.089 82 I CA -2.489 58.813 61.300 0.004 0.000 1.041 82 I CB 2.262 40.264 38.000 0.003 0.000 1.235 82 I HN -0.203 nan 8.210 nan 0.000 0.423 83 P HA -0.206 nan 4.420 nan 0.000 0.217 83 P C 0.984 178.286 177.300 0.004 0.000 1.162 83 P CA 1.857 64.959 63.100 0.003 0.000 0.901 83 P CB 0.168 31.869 31.700 0.001 0.000 0.793 84 E N -0.622 119.581 120.200 0.005 0.000 2.058 84 E HA -0.187 4.202 4.350 0.065 0.000 0.194 84 E C 1.813 178.419 176.600 0.010 0.000 0.997 84 E CA 1.470 57.874 56.400 0.006 0.000 0.801 84 E CB -1.045 28.659 29.700 0.006 0.000 0.746 84 E HN 0.286 nan 8.360 nan 0.000 0.450 85 D N 0.063 120.471 120.400 0.014 0.000 2.117 85 D HA -0.092 4.587 4.640 0.065 0.000 0.197 85 D C 1.535 177.849 176.300 0.023 0.000 0.987 85 D CA 0.761 54.775 54.000 0.023 0.000 0.829 85 D CB -0.247 40.567 40.800 0.024 0.000 0.961 85 D HN 0.091 nan 8.370 nan 0.000 0.460 86 N N 0.440 119.149 118.700 0.015 0.000 2.166 86 N HA -0.099 4.680 4.740 0.065 0.000 0.186 86 N C 1.726 177.238 175.510 0.004 0.000 1.019 86 N CA 1.124 54.181 53.050 0.013 0.000 0.856 86 N CB -0.290 38.202 38.487 0.008 0.000 0.993 86 N HN 0.124 nan 8.380 nan 0.000 0.426 87 A N 1.689 124.508 122.820 -0.001 0.000 1.883 87 A HA -0.188 4.171 4.320 0.065 0.000 0.217 87 A C 1.861 179.434 177.584 -0.020 0.000 1.186 87 A CA 1.761 53.792 52.037 -0.010 0.000 0.624 87 A CB -0.536 18.459 19.000 -0.008 0.000 0.822 87 A HN 0.146 nan 8.150 nan 0.000 0.444 88 D N -0.278 120.116 120.400 -0.010 0.000 2.087 88 D HA -0.169 4.510 4.640 0.065 0.000 0.192 88 D C 2.087 178.359 176.300 -0.045 0.000 0.993 88 D CA 1.587 55.576 54.000 -0.018 0.000 0.828 88 D CB -0.391 40.419 40.800 0.017 0.000 0.968 88 D HN 0.299 nan 8.370 nan 0.000 0.448 89 M N 0.556 120.158 119.600 0.002 0.000 2.108 89 M HA -0.132 4.387 4.480 0.065 0.000 0.261 89 M C 1.812 178.078 176.300 -0.057 0.000 1.066 89 M CA 1.127 56.438 55.300 0.018 0.000 1.107 89 M CB -1.430 31.221 32.600 0.086 0.000 1.356 89 M HN 0.110 nan 8.290 nan 0.000 0.406 90 N N 0.311 118.986 118.700 -0.042 0.000 2.069 90 N HA -0.207 4.572 4.740 0.065 0.000 0.191 90 N C 1.787 177.241 175.510 -0.093 0.000 1.031 90 N CA 1.376 54.395 53.050 -0.051 0.000 0.852 90 N CB -0.137 38.331 38.487 -0.031 0.000 1.018 90 N HN 0.363 nan 8.380 nan 0.000 0.423 91 K N 0.746 121.081 120.400 -0.108 0.000 2.057 91 K HA -0.131 4.228 4.320 0.065 0.000 0.207 91 K C 1.438 177.915 176.600 -0.206 0.000 1.049 91 K CA 1.157 57.369 56.287 -0.125 0.000 0.931 91 K CB 0.235 32.674 32.500 -0.101 0.000 0.714 91 K HN 0.137 nan 8.250 nan 0.000 0.440 92 Q N 0.303 119.882 119.800 -0.369 0.000 2.403 92 Q HA -0.041 4.338 4.340 0.065 0.000 0.203 92 Q C -0.240 175.401 176.000 -0.600 0.000 0.932 92 Q CA 0.604 56.006 55.803 -0.668 0.000 0.945 92 Q CB 0.290 28.168 28.738 -1.433 0.000 1.045 92 Q HN 0.386 nan 8.270 nan 0.000 0.511 93 D N -0.509 119.709 120.400 -0.304 0.000 2.800 93 D HA -0.176 4.503 4.640 0.065 0.000 0.232 93 D C -1.336 175.002 176.300 0.064 0.000 1.137 93 D CA 0.237 54.178 54.000 -0.099 0.000 0.718 93 D CB -0.957 39.814 40.800 -0.048 0.000 1.084 93 D HN 0.003 nan 8.370 nan 0.000 0.432 94 F N 0.619 120.573 119.950 0.006 0.000 2.385 94 F HA 0.442 5.008 4.527 0.065 0.000 0.336 94 F C 1.305 177.103 175.800 -0.004 0.000 1.100 94 F CA -1.368 56.634 58.000 0.003 0.000 1.116 94 F CB 1.210 40.215 39.000 0.009 0.000 1.166 94 F HN -0.039 nan 8.300 nan 0.000 0.511 95 S N 3.034 118.845 115.700 0.184 0.000 2.617 95 S HA 0.716 5.224 4.470 0.065 0.000 0.283 95 S C -0.408 174.220 174.600 0.046 0.000 1.189 95 S CA -1.008 57.241 58.200 0.082 0.000 1.036 95 S CB 1.188 64.411 63.200 0.040 0.000 1.014 95 S HN 0.453 nan 8.310 nan 0.000 0.522 96 L N 1.687 122.925 121.223 0.026 0.000 2.397 96 L HA 0.353 4.731 4.340 0.065 0.000 0.271 96 L C -0.514 176.341 176.870 -0.026 0.000 1.148 96 L CA -0.801 54.042 54.840 0.004 0.000 0.825 96 L CB 0.609 42.671 42.059 0.005 0.000 1.117 96 L HN 0.449 nan 8.230 nan 0.000 0.456 97 V N 3.963 123.852 119.914 -0.042 0.000 2.350 97 V HA 0.241 4.400 4.120 0.065 0.000 0.276 97 V C 0.921 176.984 176.094 -0.051 0.000 1.028 97 V CA -0.372 61.891 62.300 -0.062 0.000 0.860 97 V CB 1.271 33.041 31.823 -0.088 0.000 0.990 97 V HN 0.766 nan 8.190 nan 0.000 0.453 98 R N 3.604 124.072 120.500 -0.053 0.000 2.189 98 R HA 0.240 4.619 4.340 0.065 0.000 0.203 98 R C -0.124 176.148 176.300 -0.047 0.000 1.012 98 R CA 0.665 56.739 56.100 -0.043 0.000 1.015 98 R CB 0.645 30.921 30.300 -0.040 0.000 0.938 98 R HN 0.537 nan 8.270 nan 0.000 0.472 99 V N 1.376 121.249 119.914 -0.069 0.000 2.709 99 V HA 0.373 4.532 4.120 0.065 0.000 0.308 99 V C -0.888 175.157 176.094 -0.082 0.000 1.062 99 V CA -0.812 61.445 62.300 -0.071 0.000 0.901 99 V CB 2.182 33.938 31.823 -0.112 0.000 1.003 99 V HN -0.192 nan 8.190 nan 0.000 0.425 100 V N 5.016 124.897 119.914 -0.055 0.000 2.443 100 V HA 0.490 4.649 4.120 0.065 0.000 0.293 100 V C -0.507 175.576 176.094 -0.019 0.000 1.021 100 V CA -0.547 61.717 62.300 -0.060 0.000 0.848 100 V CB 1.991 33.772 31.823 -0.070 0.000 0.998 100 V HN 0.613 nan 8.190 nan 0.000 0.424 101 V N 4.321 124.223 119.914 -0.021 0.000 2.350 101 V HA 0.593 4.752 4.120 0.065 0.000 0.285 101 V C -0.272 175.838 176.094 0.028 0.000 1.014 101 V CA -0.372 61.958 62.300 0.051 0.000 0.831 101 V CB 1.373 33.221 31.823 0.042 0.000 1.000 101 V HN 0.997 nan 8.190 nan 0.000 0.433 102 C N 5.958 125.278 119.300 0.032 0.000 2.891 102 C HA 0.839 5.338 4.460 0.065 0.000 0.342 102 C C -1.095 173.883 174.990 -0.020 0.000 1.126 102 C CA -0.451 58.563 59.018 -0.006 0.000 1.322 102 C CB 1.376 29.086 27.740 -0.050 0.000 1.763 102 C HN 1.108 nan 8.230 nan 0.000 0.491 103 N N 4.064 122.755 118.700 -0.016 0.000 2.357 103 N HA 0.757 5.536 4.740 0.065 0.000 0.284 103 N C -1.530 173.967 175.510 -0.021 0.000 1.236 103 N CA -0.855 52.175 53.050 -0.034 0.000 0.774 103 N CB 0.826 39.291 38.487 -0.037 0.000 1.534 103 N HN 0.644 nan 8.380 nan 0.000 0.478 104 L N 0.128 121.344 121.223 -0.011 0.000 2.387 104 L HA 0.456 4.835 4.340 0.065 0.000 0.266 104 L C -0.123 176.819 176.870 0.119 0.000 1.059 104 L CA -1.207 53.576 54.840 -0.096 0.000 0.801 104 L CB 0.262 42.065 42.059 -0.426 0.000 1.223 104 L HN 0.484 nan 8.230 nan 0.000 0.456 105 Y N 1.254 121.600 120.300 0.077 0.000 2.904 105 Y HA -0.005 4.583 4.550 0.064 0.000 0.336 105 Y C -1.696 174.348 175.900 0.239 0.000 1.263 105 Y CA -2.139 56.051 58.100 0.150 0.000 1.547 105 Y CB -0.583 37.986 38.460 0.183 0.000 1.272 105 Y HN 0.295 nan 8.280 nan 0.000 0.596 106 P HA 0.002 nan 4.420 nan 0.000 0.226 106 P C 0.763 178.184 177.300 0.202 0.000 1.783 106 P CA 0.193 63.437 63.100 0.239 0.000 0.980 106 P CB -0.810 30.961 31.700 0.119 0.000 1.967 107 F N 1.901 121.937 119.950 0.144 0.000 2.095 107 F HA -0.253 4.310 4.527 0.060 0.000 0.298 107 F C 2.001 177.720 175.800 -0.136 0.000 1.104 107 F CA 1.703 59.663 58.000 -0.066 0.000 1.232 107 F CB -0.501 38.348 39.000 -0.252 0.000 0.987 107 F HN -0.120 nan 8.300 nan 0.000 0.475 108 V N 0.653 120.625 119.914 0.098 0.000 2.332 108 V HA -0.355 3.803 4.120 0.065 0.000 0.248 108 V C 2.457 178.478 176.094 -0.123 0.000 1.055 108 V CA 2.427 64.715 62.300 -0.020 0.000 1.038 108 V CB -0.740 31.133 31.823 0.082 0.000 0.651 108 V HN 0.340 nan 8.190 nan 0.000 0.450 109 K N -0.689 119.671 120.400 -0.067 0.000 2.148 109 K HA -0.150 4.208 4.320 0.065 0.000 0.204 109 K C 2.162 178.672 176.600 -0.150 0.000 1.050 109 K CA 1.693 57.933 56.287 -0.078 0.000 0.942 109 K CB -0.183 32.301 32.500 -0.027 0.000 0.724 109 K HN 0.497 nan 8.250 nan 0.000 0.446 110 T N 0.577 114.996 114.554 -0.226 0.000 2.701 110 T HA -0.115 4.274 4.350 0.065 0.000 0.263 110 T C 1.629 176.099 174.700 -0.383 0.000 1.040 110 T CA 1.626 63.552 62.100 -0.290 0.000 1.147 110 T CB -0.120 68.548 68.868 -0.335 0.000 0.865 110 T HN 0.267 nan 8.240 nan 0.000 0.426 111 V N 0.010 119.562 119.914 -0.603 0.000 3.510 111 V HA 0.131 4.290 4.120 0.065 0.000 0.270 111 V C 1.918 177.845 176.094 -0.279 0.000 1.201 111 V CA 0.889 62.849 62.300 -0.567 0.000 1.166 111 V CB -0.777 30.483 31.823 -0.937 0.000 0.825 111 V HN 0.237 nan 8.190 nan 0.000 0.484 112 S N 0.227 115.798 115.700 -0.215 0.000 2.522 112 S HA 0.113 4.621 4.470 0.065 0.000 0.227 112 S C 1.169 175.716 174.600 -0.089 0.000 0.986 112 S CA 0.454 58.583 58.200 -0.118 0.000 0.929 112 S CB -0.185 62.962 63.200 -0.089 0.000 0.769 112 S HN 0.655 nan 8.310 nan 0.000 0.529 113 S N 2.607 118.243 115.700 -0.106 0.000 2.548 113 S HA 0.215 4.724 4.470 0.065 0.000 0.277 113 S C -1.583 172.982 174.600 -0.058 0.000 1.315 113 S CA -1.101 57.055 58.200 -0.074 0.000 1.050 113 S CB 1.154 64.307 63.200 -0.079 0.000 0.918 113 S HN 0.164 nan 8.310 nan 0.000 0.497 114 P HA 0.078 nan 4.420 nan 0.000 0.218 114 P C 1.060 178.352 177.300 -0.015 0.000 1.152 114 P CA 0.489 63.577 63.100 -0.020 0.000 0.826 114 P CB 0.055 31.747 31.700 -0.013 0.000 0.790 115 G N -0.016 108.772 108.800 -0.019 0.000 3.383 115 G HA2 0.133 4.132 3.960 0.065 0.000 0.251 115 G HA3 0.133 4.132 3.960 0.065 0.000 0.251 115 G C 0.045 174.934 174.900 -0.018 0.000 1.203 115 G CA -0.085 45.008 45.100 -0.013 0.000 0.852 115 G HN 0.254 nan 8.290 nan 0.000 0.531 116 V N 2.004 121.900 119.914 -0.030 0.000 2.715 116 V HA 0.490 4.649 4.120 0.065 0.000 0.299 116 V C 0.911 177.002 176.094 -0.005 0.000 1.054 116 V CA 0.136 62.406 62.300 -0.049 0.000 1.077 116 V CB 1.180 32.933 31.823 -0.117 0.000 0.972 116 V HN 0.392 nan 8.190 nan 0.000 0.484 117 T N 3.383 117.935 114.554 -0.003 0.000 2.902 117 T HA 0.371 4.760 4.350 0.065 0.000 0.280 117 T C 1.021 175.768 174.700 0.079 0.000 0.992 117 T CA -0.102 62.024 62.100 0.043 0.000 1.015 117 T CB 1.557 70.446 68.868 0.036 0.000 1.044 117 T HN 0.393 nan 8.240 nan 0.000 0.520 118 V N 2.052 122.057 119.914 0.152 0.000 2.358 118 V HA -0.015 4.144 4.120 0.065 0.000 0.246 118 V C -0.585 175.624 176.094 0.191 0.000 1.047 118 V CA 1.373 63.820 62.300 0.245 0.000 1.035 118 V CB -1.615 30.400 31.823 0.319 0.000 0.658 118 V HN 0.753 nan 8.190 nan 0.000 0.452 119 P HA -0.139 nan 4.420 nan 0.000 0.216 119 P C 1.554 178.893 177.300 0.064 0.000 1.150 119 P CA 1.302 64.467 63.100 0.109 0.000 0.837 119 P CB 0.033 31.780 31.700 0.078 0.000 0.786 120 E N -0.435 119.777 120.200 0.020 0.000 2.077 120 E HA -0.148 4.241 4.350 0.065 0.000 0.193 120 E C 2.114 178.666 176.600 -0.080 0.000 0.989 120 E CA 1.251 57.629 56.400 -0.036 0.000 0.800 120 E CB -0.550 29.112 29.700 -0.063 0.000 0.746 120 E HN 0.144 nan 8.360 nan 0.000 0.452 121 A N 0.773 123.512 122.820 -0.135 0.000 1.873 121 A HA -0.144 4.215 4.320 0.065 0.000 0.215 121 A C 2.496 180.118 177.584 0.064 0.000 1.186 121 A CA 1.134 53.002 52.037 -0.281 0.000 0.616 121 A CB -0.741 17.857 19.000 -0.670 0.000 0.823 121 A HN 0.124 nan 8.150 nan 0.000 0.442 122 V N 0.068 120.079 119.914 0.162 0.000 2.324 122 V HA -0.252 3.907 4.120 0.065 0.000 0.250 122 V C 2.544 178.755 176.094 0.195 0.000 1.060 122 V CA 2.464 64.917 62.300 0.255 0.000 1.042 122 V CB -0.697 31.284 31.823 0.263 0.000 0.650 122 V HN 0.611 nan 8.190 nan 0.000 0.450 123 E N -0.208 120.064 120.200 0.120 0.000 2.338 123 E HA -0.099 4.290 4.350 0.065 0.000 0.197 123 E C 1.823 178.465 176.600 0.069 0.000 1.007 123 E CA 0.624 57.071 56.400 0.078 0.000 0.849 123 E CB -0.027 29.681 29.700 0.013 0.000 0.774 123 E HN 0.347 nan 8.360 nan 0.000 0.506 124 K N -0.062 120.416 120.400 0.130 0.000 2.387 124 K HA 0.187 4.546 4.320 0.065 0.000 0.198 124 K C -0.029 176.858 176.600 0.479 0.000 1.022 124 K CA -0.076 56.335 56.287 0.208 0.000 1.128 124 K CB 0.340 32.907 32.500 0.112 0.000 0.853 124 K HN 0.191 nan 8.250 nan 0.000 0.523 125 I N 2.529 123.342 120.570 0.405 0.000 2.347 125 I HA -0.005 4.204 4.170 0.065 0.000 0.294 125 I C 0.455 176.805 176.117 0.389 0.000 1.090 125 I CA -0.296 61.184 61.300 0.301 0.000 1.314 125 I CB 0.301 38.389 38.000 0.146 0.000 1.423 125 I HN -0.107 nan 8.210 nan 0.000 0.503 126 D N 6.875 127.522 120.400 0.412 0.000 2.383 126 D HA 0.065 4.743 4.640 0.065 0.000 0.252 126 D C 0.635 176.943 176.300 0.013 0.000 1.166 126 D CA 0.034 54.034 54.000 0.000 0.000 0.879 126 D CB 1.296 41.952 40.800 -0.240 0.000 1.164 126 D HN 0.315 nan 8.370 nan 0.000 0.462 127 I N 3.239 123.781 120.570 -0.046 0.000 2.900 127 I HA 0.036 4.245 4.170 0.065 0.000 0.251 127 I C 2.351 178.435 176.117 -0.054 0.000 1.102 127 I CA 0.551 61.842 61.300 -0.015 0.000 1.457 127 I CB -1.362 36.649 38.000 0.018 0.000 1.285 127 I HN 0.526 nan 8.210 nan 0.000 0.459 128 G N 0.695 109.450 108.800 -0.075 0.000 2.408 128 G HA2 -0.134 3.864 3.960 0.065 0.000 0.217 128 G HA3 -0.134 3.864 3.960 0.065 0.000 0.217 128 G C 1.664 176.529 174.900 -0.060 0.000 1.150 128 G CA 0.836 45.913 45.100 -0.039 0.000 0.776 128 G HN 0.475 nan 8.290 nan 0.000 0.542 129 G N 0.476 109.180 108.800 -0.159 0.000 2.422 129 G HA2 -0.125 3.874 3.960 0.065 0.000 0.218 129 G HA3 -0.125 3.874 3.960 0.065 0.000 0.218 129 G C 1.752 176.574 174.900 -0.129 0.000 1.146 129 G CA 1.094 46.097 45.100 -0.161 0.000 0.769 129 G HN 0.300 nan 8.290 nan 0.000 0.547 130 V N 1.515 121.343 119.914 -0.142 0.000 2.343 130 V HA -0.160 3.999 4.120 0.065 0.000 0.247 130 V C 3.308 179.386 176.094 -0.027 0.000 1.051 130 V CA 2.035 64.275 62.300 -0.100 0.000 1.036 130 V CB -0.763 31.016 31.823 -0.074 0.000 0.654 130 V HN 0.474 nan 8.190 nan 0.000 0.451 131 A N -0.303 122.523 122.820 0.011 0.000 1.930 131 A HA -0.122 4.237 4.320 0.065 0.000 0.217 131 A C 2.195 179.874 177.584 0.159 0.000 1.175 131 A CA 1.622 53.711 52.037 0.086 0.000 0.627 131 A CB -0.457 18.593 19.000 0.083 0.000 0.815 131 A HN 0.511 nan 8.150 nan 0.000 0.443 132 L N -0.646 120.627 121.223 0.083 0.000 1.994 132 L HA -0.198 4.181 4.340 0.065 0.000 0.208 132 L C 2.600 179.440 176.870 -0.051 0.000 1.071 132 L CA 1.258 56.083 54.840 -0.024 0.000 0.745 132 L CB -0.734 41.265 42.059 -0.099 0.000 0.892 132 L HN 0.359 nan 8.230 nan 0.000 0.431 133 L N -0.532 120.646 121.223 -0.075 0.000 2.012 133 L HA -0.225 4.153 4.340 0.065 0.000 0.210 133 L C 2.909 179.657 176.870 -0.204 0.000 1.073 133 L CA 1.439 56.202 54.840 -0.128 0.000 0.748 133 L CB -0.529 41.460 42.059 -0.117 0.000 0.891 133 L HN 0.233 nan 8.230 nan 0.000 0.431 134 R N -0.232 120.187 120.500 -0.134 0.000 2.075 134 R HA -0.092 4.287 4.340 0.065 0.000 0.232 134 R C 2.467 178.746 176.300 -0.035 0.000 1.126 134 R CA 1.208 57.225 56.100 -0.137 0.000 0.963 134 R CB -0.500 29.869 30.300 0.115 0.000 0.858 134 R HN 0.346 nan 8.270 nan 0.000 0.435 135 A N 1.512 124.357 122.820 0.041 0.000 1.883 135 A HA -0.146 4.213 4.320 0.065 0.000 0.217 135 A C 2.405 180.007 177.584 0.030 0.000 1.186 135 A CA 1.826 53.914 52.037 0.086 0.000 0.624 135 A CB -0.741 18.361 19.000 0.171 0.000 0.822 135 A HN 0.398 nan 8.150 nan 0.000 0.444 136 A N -0.267 122.535 122.820 -0.031 0.000 1.902 136 A HA 0.174 4.533 4.320 0.065 0.000 0.217 136 A C 2.519 180.080 177.584 -0.039 0.000 1.181 136 A CA 2.129 54.142 52.037 -0.041 0.000 0.623 136 A CB -1.056 17.904 19.000 -0.066 0.000 0.818 136 A HN 1.099 nan 8.150 nan 0.000 0.443 137 A N -0.028 122.690 122.820 -0.170 0.000 1.902 137 A HA -0.191 4.167 4.320 0.065 0.000 0.217 137 A C 2.148 179.817 177.584 0.142 0.000 1.181 137 A CA 2.055 53.945 52.037 -0.245 0.000 0.623 137 A CB -0.465 17.943 19.000 -0.986 0.000 0.818 137 A HN 0.591 nan 8.150 nan 0.000 0.443 138 K N -0.621 119.906 120.400 0.212 0.000 2.097 138 K HA -0.160 4.198 4.320 0.065 0.000 0.205 138 K C 0.916 177.646 176.600 0.217 0.000 1.050 138 K CA 1.568 58.088 56.287 0.389 0.000 0.938 138 K CB -0.164 32.524 32.500 0.314 0.000 0.718 138 K HN 0.358 nan 8.250 nan 0.000 0.442 139 N N 1.284 120.053 118.700 0.114 0.000 2.455 139 N HA -0.041 4.737 4.740 0.065 0.000 0.258 139 N C 0.743 176.244 175.510 -0.016 0.000 1.158 139 N CA -0.106 52.953 53.050 0.016 0.000 0.893 139 N CB -0.118 38.380 38.487 0.018 0.000 1.173 139 N HN 0.364 nan 8.380 nan 0.000 0.503 140 H N -1.789 117.299 119.070 0.030 0.000 2.543 140 H HA 0.040 4.634 4.556 0.065 0.000 0.286 140 H C 1.319 176.652 175.328 0.008 0.000 1.037 140 H CA 0.949 57.002 56.048 0.008 0.000 1.250 140 H CB -0.101 29.668 29.762 0.012 0.000 1.373 140 H HN 0.218 nan 8.280 nan 0.000 0.580 141 A N 1.431 124.045 122.820 -0.343 0.000 2.024 141 A HA -0.158 4.201 4.320 0.065 0.000 0.220 141 A C 2.538 180.082 177.584 -0.067 0.000 1.164 141 A CA 1.718 53.639 52.037 -0.193 0.000 0.643 141 A CB -0.469 18.419 19.000 -0.186 0.000 0.806 141 A HN 0.493 nan 8.150 nan 0.000 0.451 142 R N -2.001 118.471 120.500 -0.046 0.000 2.350 142 R HA 0.230 4.609 4.340 0.065 0.000 0.199 142 R C -0.631 175.665 176.300 -0.006 0.000 0.876 142 R CA 0.314 56.403 56.100 -0.019 0.000 1.062 142 R CB 0.697 30.985 30.300 -0.019 0.000 1.263 142 R HN 0.204 nan 8.270 nan 0.000 0.641 143 V N 2.093 122.008 119.914 0.001 0.000 2.465 143 V HA 0.264 4.423 4.120 0.065 0.000 0.279 143 V C -0.161 175.941 176.094 0.013 0.000 1.045 143 V CA -0.292 62.009 62.300 0.001 0.000 0.938 143 V CB 1.567 33.387 31.823 -0.005 0.000 0.986 143 V HN 0.135 nan 8.190 nan 0.000 0.467 144 T N 4.730 119.284 114.554 0.001 0.000 2.728 144 T HA 0.335 4.723 4.350 0.065 0.000 0.296 144 T C -0.316 174.385 174.700 0.002 0.000 0.940 144 T CA 0.042 62.144 62.100 0.005 0.000 1.013 144 T CB 1.131 70.010 68.868 0.020 0.000 0.912 144 T HN 0.475 nan 8.240 nan 0.000 0.484 145 V N 5.953 125.859 119.914 -0.015 0.000 2.398 145 V HA 0.625 4.784 4.120 0.065 0.000 0.286 145 V C -0.776 175.317 176.094 -0.002 0.000 1.026 145 V CA -0.437 61.847 62.300 -0.026 0.000 0.868 145 V CB 1.279 33.055 31.823 -0.079 0.000 0.982 145 V HN 0.666 nan 8.190 nan 0.000 0.443 146 V N 6.906 126.849 119.914 0.048 0.000 2.380 146 V HA 0.246 4.404 4.120 0.065 0.000 0.286 146 V C 0.610 176.747 176.094 0.071 0.000 1.015 146 V CA -0.291 62.067 62.300 0.097 0.000 0.834 146 V CB 0.920 32.898 31.823 0.258 0.000 1.009 146 V HN 1.075 nan 8.190 nan 0.000 0.428 147 C N -0.164 119.114 119.300 -0.037 0.000 2.974 147 C HA 0.449 4.948 4.460 0.065 0.000 0.282 147 C C 0.324 175.195 174.990 -0.197 0.000 1.292 147 C CA -0.132 58.808 59.018 -0.129 0.000 1.710 147 C CB -0.858 26.737 27.740 -0.241 0.000 2.036 147 C HN 0.750 nan 8.230 nan 0.000 0.629 148 D N 0.913 121.215 120.400 -0.164 0.000 2.575 148 D HA 0.378 5.057 4.640 0.065 0.000 0.250 148 D C -2.073 173.933 176.300 -0.490 0.000 1.279 148 D CA -1.730 52.112 54.000 -0.263 0.000 0.925 148 D CB 2.126 42.800 40.800 -0.210 0.000 1.261 148 D HN -0.151 nan 8.370 nan 0.000 0.567 149 P HA -0.106 nan 4.420 nan 0.000 0.220 149 P C 0.951 177.673 177.300 -0.962 0.000 1.144 149 P CA 0.999 63.191 63.100 -1.513 0.000 0.800 149 P CB 0.287 31.529 31.700 -0.763 0.000 0.772 150 A N -0.543 121.976 122.820 -0.502 0.000 2.121 150 A HA -0.159 4.200 4.320 0.065 0.000 0.218 150 A C 1.698 179.129 177.584 -0.255 0.000 1.154 150 A CA 1.550 53.406 52.037 -0.302 0.000 0.679 150 A CB -0.829 18.055 19.000 -0.193 0.000 0.795 150 A HN 0.096 nan 8.150 nan 0.000 0.458 151 D N -1.842 118.383 120.400 -0.293 0.000 2.360 151 D HA 0.037 4.716 4.640 0.065 0.000 0.210 151 D C 1.025 177.217 176.300 -0.180 0.000 1.047 151 D CA 0.197 54.098 54.000 -0.164 0.000 0.854 151 D CB -0.119 40.631 40.800 -0.084 0.000 0.936 151 D HN 0.440 nan 8.370 nan 0.000 0.514 152 Y N 1.352 121.367 120.300 -0.475 0.000 2.128 152 Y HA -0.159 4.430 4.550 0.064 0.000 0.284 152 Y C 2.741 178.319 175.900 -0.536 0.000 1.154 152 Y CA 0.272 57.812 58.100 -0.934 0.000 1.149 152 Y CB -1.147 36.834 38.460 -0.799 0.000 0.976 152 Y HN -0.056 nan 8.280 nan 0.000 0.505 153 S N -0.199 115.446 115.700 -0.091 0.000 2.353 153 S HA -0.199 4.310 4.470 0.065 0.000 0.222 153 S C 2.417 177.007 174.600 -0.018 0.000 1.035 153 S CA 1.973 60.156 58.200 -0.028 0.000 1.025 153 S CB -0.609 62.579 63.200 -0.020 0.000 0.902 153 S HN 0.650 nan 8.310 nan 0.000 0.440 154 S N 0.704 116.386 115.700 -0.030 0.000 2.368 154 S HA -0.058 4.451 4.470 0.065 0.000 0.225 154 S C 1.881 176.497 174.600 0.027 0.000 1.030 154 S CA 1.383 59.585 58.200 0.003 0.000 0.999 154 S CB -0.943 62.260 63.200 0.006 0.000 0.844 154 S HN 0.339 nan 8.310 nan 0.000 0.459 155 V N 2.739 122.659 119.914 0.010 0.000 2.295 155 V HA -0.119 4.040 4.120 0.065 0.000 0.246 155 V C 3.175 179.356 176.094 0.144 0.000 1.049 155 V CA 1.689 64.032 62.300 0.072 0.000 1.024 155 V CB -1.541 30.333 31.823 0.085 0.000 0.648 155 V HN 0.674 nan 8.190 nan 0.000 0.447 156 A N 0.021 122.948 122.820 0.178 0.000 1.908 156 A HA -0.214 4.145 4.320 0.065 0.000 0.218 156 A C 2.272 179.925 177.584 0.115 0.000 1.181 156 A CA 1.757 53.930 52.037 0.226 0.000 0.627 156 A CB -0.397 18.764 19.000 0.268 0.000 0.818 156 A HN 0.475 nan 8.150 nan 0.000 0.445 157 K N -0.157 120.290 120.400 0.078 0.000 2.026 157 K HA -0.179 4.180 4.320 0.065 0.000 0.208 157 K C 1.933 178.563 176.600 0.050 0.000 1.048 157 K CA 1.538 57.858 56.287 0.054 0.000 0.929 157 K CB -0.598 31.925 32.500 0.038 0.000 0.713 157 K HN 0.783 nan 8.250 nan 0.000 0.439 158 E N 0.856 121.088 120.200 0.054 0.000 2.077 158 E HA -0.146 4.242 4.350 0.065 0.000 0.193 158 E C 2.065 178.692 176.600 0.045 0.000 0.989 158 E CA 1.046 57.475 56.400 0.048 0.000 0.800 158 E CB 0.025 29.757 29.700 0.054 0.000 0.746 158 E HN 0.237 nan 8.360 nan 0.000 0.452 159 M N 0.121 119.754 119.600 0.056 0.000 2.132 159 M HA -0.097 4.422 4.480 0.065 0.000 0.263 159 M C 2.477 178.796 176.300 0.031 0.000 1.065 159 M CA 1.377 56.703 55.300 0.043 0.000 1.122 159 M CB -0.138 32.493 32.600 0.051 0.000 1.365 159 M HN 0.189 nan 8.290 nan 0.000 0.411 160 A N 0.471 123.313 122.820 0.037 0.000 1.902 160 A HA -0.013 4.346 4.320 0.065 0.000 0.217 160 A C 2.310 179.907 177.584 0.021 0.000 1.181 160 A CA 1.892 53.945 52.037 0.026 0.000 0.623 160 A CB -0.832 18.186 19.000 0.031 0.000 0.818 160 A HN 0.494 nan 8.150 nan 0.000 0.443 161 A N -0.157 122.678 122.820 0.024 0.000 2.119 161 A HA 0.257 4.616 4.320 0.065 0.000 0.216 161 A C 1.580 179.175 177.584 0.018 0.000 1.152 161 A CA 0.919 52.968 52.037 0.020 0.000 0.708 161 A CB -0.723 18.290 19.000 0.022 0.000 0.805 161 A HN 0.826 nan 8.150 nan 0.000 0.460 162 S N 0.127 115.838 115.700 0.020 0.000 2.576 162 S HA 0.170 4.679 4.470 0.065 0.000 0.276 162 S C 0.431 175.038 174.600 0.012 0.000 1.339 162 S CA -0.395 57.815 58.200 0.017 0.000 1.039 162 S CB 0.552 63.764 63.200 0.019 0.000 0.902 162 S HN 0.362 nan 8.310 nan 0.000 0.516 163 K N 1.686 122.093 120.400 0.011 0.000 2.630 163 K HA 0.059 4.418 4.320 0.065 0.000 0.204 163 K C -0.198 176.406 176.600 0.006 0.000 1.024 163 K CA 0.343 56.635 56.287 0.008 0.000 1.157 163 K CB -0.388 32.117 32.500 0.008 0.000 0.899 163 K HN 0.833 nan 8.250 nan 0.000 0.501 164 D N -0.780 119.624 120.400 0.006 0.000 2.682 164 D HA 0.008 4.687 4.640 0.065 0.000 0.291 164 D C -0.339 175.961 176.300 0.001 0.000 1.585 164 D CA -0.428 53.573 54.000 0.003 0.000 0.845 164 D CB -0.206 40.596 40.800 0.004 0.000 1.323 164 D HN -0.068 nan 8.370 nan 0.000 0.438 165 K N -0.099 120.302 120.400 0.003 0.000 3.016 165 K HA -0.212 4.147 4.320 0.065 0.000 0.262 165 K C -0.489 176.111 176.600 0.000 0.000 1.043 165 K CA 1.432 57.719 56.287 0.000 0.000 0.761 165 K CB -1.003 31.492 32.500 -0.008 0.000 1.230 165 K HN 0.369 nan 8.250 nan 0.000 0.485 166 D N -0.809 119.595 120.400 0.007 0.000 2.531 166 D HA 0.340 5.019 4.640 0.065 0.000 0.244 166 D C -0.202 176.108 176.300 0.018 0.000 1.090 166 D CA -0.227 53.778 54.000 0.008 0.000 0.989 166 D CB 1.377 42.180 40.800 0.004 0.000 1.433 166 D HN 0.074 nan 8.370 nan 0.000 0.492 167 T N -1.297 113.268 114.554 0.018 0.000 2.847 167 T HA 0.561 4.950 4.350 0.065 0.000 0.279 167 T C 0.586 175.297 174.700 0.018 0.000 0.984 167 T CA -0.750 61.362 62.100 0.021 0.000 0.988 167 T CB 0.747 69.624 68.868 0.014 0.000 1.040 167 T HN 0.343 nan 8.240 nan 0.000 0.528 168 S N 0.112 115.824 115.700 0.021 0.000 2.632 168 S HA 0.268 4.777 4.470 0.065 0.000 0.267 168 S C 1.727 176.341 174.600 0.022 0.000 1.276 168 S CA -0.387 57.827 58.200 0.024 0.000 0.998 168 S CB 0.758 63.978 63.200 0.033 0.000 0.953 168 S HN 0.961 nan 8.310 nan 0.000 0.547 169 V N -1.341 118.592 119.914 0.031 0.000 2.515 169 V HA -0.070 4.089 4.120 0.065 0.000 0.250 169 V C 2.310 178.437 176.094 0.055 0.000 1.058 169 V CA 1.558 63.885 62.300 0.045 0.000 1.064 169 V CB -1.191 30.659 31.823 0.046 0.000 0.675 169 V HN 0.831 nan 8.190 nan 0.000 0.461 170 E N 0.879 121.111 120.200 0.052 0.000 2.072 170 E HA -0.133 4.256 4.350 0.065 0.000 0.191 170 E C 2.390 179.017 176.600 0.045 0.000 0.985 170 E CA 1.909 58.350 56.400 0.070 0.000 0.801 170 E CB -0.515 29.235 29.700 0.084 0.000 0.750 170 E HN 0.674 nan 8.360 nan 0.000 0.452 171 T N 0.941 115.496 114.554 0.001 0.000 2.684 171 T HA -0.132 4.257 4.350 0.065 0.000 0.267 171 T C 1.898 176.364 174.700 -0.390 0.000 1.036 171 T CA 1.073 63.067 62.100 -0.176 0.000 1.148 171 T CB -0.081 68.756 68.868 -0.052 0.000 0.863 171 T HN 0.133 nan 8.240 nan 0.000 0.436 172 R N 0.494 120.907 120.500 -0.145 0.000 2.152 172 R HA 0.036 4.415 4.340 0.065 0.000 0.232 172 R C 2.687 178.932 176.300 -0.092 0.000 1.117 172 R CA 0.913 56.961 56.100 -0.087 0.000 0.981 172 R CB -0.129 30.195 30.300 0.040 0.000 0.870 172 R HN 0.374 nan 8.270 nan 0.000 0.451 173 R N -0.217 120.249 120.500 -0.055 0.000 2.066 173 R HA -0.157 4.222 4.340 0.065 0.000 0.232 173 R C 2.288 178.515 176.300 -0.121 0.000 1.131 173 R CA 1.978 58.014 56.100 -0.106 0.000 0.955 173 R CB -0.481 29.834 30.300 0.024 0.000 0.851 173 R HN 0.505 nan 8.270 nan 0.000 0.432 174 H N -0.241 118.807 119.070 -0.037 0.000 2.428 174 H HA 0.015 4.609 4.556 0.064 0.000 0.296 174 H C 1.741 177.046 175.328 -0.039 0.000 1.062 174 H CA 0.841 56.870 56.048 -0.032 0.000 1.350 174 H CB -0.214 29.540 29.762 -0.013 0.000 1.403 174 H HN 0.008 nan 8.280 nan 0.000 0.533 175 L N 0.885 121.931 121.223 -0.296 0.000 2.056 175 L HA 0.039 4.418 4.340 0.065 0.000 0.207 175 L C 2.711 179.518 176.870 -0.106 0.000 1.078 175 L CA 1.619 56.372 54.840 -0.144 0.000 0.749 175 L CB -1.705 40.242 42.059 -0.188 0.000 0.901 175 L HN 0.592 nan 8.230 nan 0.000 0.433 176 A N -0.367 122.360 122.820 -0.155 0.000 1.877 176 A HA -0.211 4.148 4.320 0.065 0.000 0.216 176 A C 2.362 179.909 177.584 -0.061 0.000 1.186 176 A CA 1.494 53.423 52.037 -0.180 0.000 0.620 176 A CB -0.748 18.034 19.000 -0.363 0.000 0.822 176 A HN 0.369 nan 8.150 nan 0.000 0.443 177 L N -0.552 120.665 121.223 -0.010 0.000 2.012 177 L HA -0.232 4.147 4.340 0.065 0.000 0.210 177 L C 2.580 179.506 176.870 0.093 0.000 1.073 177 L CA 2.560 57.451 54.840 0.085 0.000 0.748 177 L CB -0.469 41.630 42.059 0.066 0.000 0.891 177 L HN 0.554 nan 8.230 nan 0.000 0.431 178 K N -0.327 120.108 120.400 0.057 0.000 2.032 178 K HA -0.209 4.150 4.320 0.065 0.000 0.209 178 K C 2.017 178.642 176.600 0.042 0.000 1.048 178 K CA 1.555 57.873 56.287 0.052 0.000 0.927 178 K CB -0.145 32.380 32.500 0.042 0.000 0.712 178 K HN 0.429 nan 8.250 nan 0.000 0.441 179 A N 0.514 123.314 122.820 -0.034 0.000 1.883 179 A HA -0.147 4.212 4.320 0.065 0.000 0.217 179 A C 1.952 179.512 177.584 -0.040 0.000 1.186 179 A CA 1.480 53.463 52.037 -0.089 0.000 0.624 179 A CB -0.865 17.990 19.000 -0.241 0.000 0.822 179 A HN 0.364 nan 8.150 nan 0.000 0.444 180 F N 0.704 120.681 119.950 0.044 0.000 2.216 180 F HA -0.103 4.462 4.527 0.063 0.000 0.300 180 F C 2.731 178.564 175.800 0.055 0.000 1.085 180 F CA 1.650 59.675 58.000 0.042 0.000 1.326 180 F CB -1.051 37.964 39.000 0.024 0.000 1.027 180 F HN 0.146 nan 8.300 nan 0.000 0.497 181 T N -2.041 112.650 114.554 0.229 0.000 2.777 181 T HA -0.236 4.152 4.350 0.065 0.000 0.266 181 T C 1.768 176.567 174.700 0.164 0.000 1.040 181 T CA 1.774 63.974 62.100 0.166 0.000 1.141 181 T CB -0.461 68.484 68.868 0.129 0.000 0.868 181 T HN 0.317 nan 8.240 nan 0.000 0.444 182 H N 1.290 120.398 119.070 0.062 0.000 2.353 182 H HA -0.086 4.510 4.556 0.066 0.000 0.300 182 H C 2.428 177.800 175.328 0.072 0.000 1.090 182 H CA 2.200 58.276 56.048 0.047 0.000 1.327 182 H CB -0.389 29.370 29.762 -0.005 0.000 1.383 182 H HN 0.420 nan 8.280 nan 0.000 0.508 183 T N -2.335 112.260 114.554 0.068 0.000 2.867 183 T HA -0.011 4.378 4.350 0.065 0.000 0.268 183 T C 2.238 176.989 174.700 0.085 0.000 1.057 183 T CA 0.949 63.072 62.100 0.039 0.000 1.136 183 T CB -0.694 68.225 68.868 0.086 0.000 0.874 183 T HN 0.404 nan 8.240 nan 0.000 0.466 184 A N 1.833 124.717 122.820 0.106 0.000 1.877 184 A HA -0.121 4.238 4.320 0.065 0.000 0.216 184 A C 2.514 180.129 177.584 0.052 0.000 1.186 184 A CA 1.579 53.666 52.037 0.084 0.000 0.620 184 A CB -0.813 18.241 19.000 0.090 0.000 0.822 184 A HN 0.630 nan 8.150 nan 0.000 0.443 185 Q N -2.093 117.731 119.800 0.040 0.000 2.084 185 Q HA -0.200 4.178 4.340 0.065 0.000 0.202 185 Q C 2.040 178.043 176.000 0.005 0.000 0.978 185 Q CA 1.724 57.539 55.803 0.021 0.000 0.844 185 Q CB -0.355 28.398 28.738 0.025 0.000 0.898 185 Q HN 0.794 nan 8.270 nan 0.000 0.426 186 Y N 2.040 122.229 120.300 -0.186 0.000 2.128 186 Y HA -0.260 4.333 4.550 0.071 0.000 0.284 186 Y C 1.675 177.471 175.900 -0.173 0.000 1.154 186 Y CA 1.898 59.876 58.100 -0.203 0.000 1.149 186 Y CB -0.098 38.203 38.460 -0.264 0.000 0.976 186 Y HN 0.099 nan 8.280 nan 0.000 0.505 187 D N -0.572 119.815 120.400 -0.022 0.000 2.224 187 D HA -0.085 4.594 4.640 0.065 0.000 0.205 187 D C 2.188 178.429 176.300 -0.098 0.000 0.965 187 D CA 1.157 55.102 54.000 -0.092 0.000 0.852 187 D CB -0.440 40.360 40.800 0.000 0.000 0.947 187 D HN 0.440 nan 8.370 nan 0.000 0.494 188 A N 0.798 123.586 122.820 -0.054 0.000 1.930 188 A HA 0.004 4.363 4.320 0.065 0.000 0.217 188 A C 2.272 179.809 177.584 -0.078 0.000 1.175 188 A CA 1.888 53.900 52.037 -0.042 0.000 0.627 188 A CB -0.655 18.346 19.000 0.001 0.000 0.815 188 A HN 0.219 nan 8.150 nan 0.000 0.443 189 A N 0.151 122.913 122.820 -0.096 0.000 1.877 189 A HA -0.102 4.256 4.320 0.065 0.000 0.216 189 A C 2.115 179.645 177.584 -0.089 0.000 1.186 189 A CA 1.566 53.563 52.037 -0.065 0.000 0.620 189 A CB -0.662 18.317 19.000 -0.036 0.000 0.822 189 A HN 0.483 nan 8.150 nan 0.000 0.443 190 I N -0.224 120.122 120.570 -0.374 0.000 2.163 190 I HA -0.264 3.945 4.170 0.065 0.000 0.243 190 I C 2.757 178.810 176.117 -0.106 0.000 1.085 190 I CA 1.550 62.549 61.300 -0.503 0.000 1.347 190 I CB -0.339 37.241 38.000 -0.700 0.000 1.044 190 I HN 0.239 nan 8.210 nan 0.000 0.408 191 S N 0.183 115.850 115.700 -0.055 0.000 2.359 191 S HA -0.270 4.239 4.470 0.065 0.000 0.224 191 S C 1.714 176.288 174.600 -0.042 0.000 1.035 191 S CA 1.934 60.141 58.200 0.013 0.000 1.018 191 S CB -0.401 62.785 63.200 -0.023 0.000 0.876 191 S HN 0.496 nan 8.310 nan 0.000 0.448 192 D N -0.058 120.275 120.400 -0.111 0.000 2.123 192 D HA -0.166 4.512 4.640 0.065 0.000 0.196 192 D C 1.759 177.995 176.300 -0.108 0.000 0.992 192 D CA 1.175 55.068 54.000 -0.178 0.000 0.833 192 D CB -0.277 40.420 40.800 -0.171 0.000 0.954 192 D HN 0.474 nan 8.370 nan 0.000 0.455 193 Y N -0.222 119.975 120.300 -0.172 0.000 2.128 193 Y HA -0.205 4.393 4.550 0.080 0.000 0.284 193 Y C 1.844 177.563 175.900 -0.303 0.000 1.154 193 Y CA 1.718 59.672 58.100 -0.242 0.000 1.149 193 Y CB -0.586 37.727 38.460 -0.244 0.000 0.976 193 Y HN -0.047 nan 8.280 nan 0.000 0.505 194 F N 0.190 120.010 119.950 -0.217 0.000 2.234 194 F HA -0.055 4.496 4.527 0.040 0.000 0.299 194 F C 2.553 178.147 175.800 -0.343 0.000 1.087 194 F CA 1.314 59.042 58.000 -0.454 0.000 1.340 194 F CB -0.737 38.125 39.000 -0.231 0.000 1.031 194 F HN -0.055 nan 8.300 nan 0.000 0.500 195 R N 0.490 120.963 120.500 -0.044 0.000 2.083 195 R HA -0.177 4.202 4.340 0.065 0.000 0.237 195 R C 2.118 178.365 176.300 -0.088 0.000 1.137 195 R CA 1.606 57.678 56.100 -0.048 0.000 0.951 195 R CB -0.285 29.957 30.300 -0.097 0.000 0.851 195 R HN 0.264 nan 8.270 nan 0.000 0.434 196 K N -0.339 119.958 120.400 -0.172 0.000 2.155 196 K HA -0.150 4.209 4.320 0.065 0.000 0.203 196 K C 1.912 178.392 176.600 -0.201 0.000 1.052 196 K CA 1.063 57.250 56.287 -0.167 0.000 0.948 196 K CB 0.062 32.456 32.500 -0.177 0.000 0.728 196 K HN 0.042 nan 8.250 nan 0.000 0.448 197 E N -0.411 119.575 120.200 -0.357 0.000 2.102 197 E HA -0.074 4.315 4.350 0.065 0.000 0.190 197 E C 0.993 177.613 176.600 0.032 0.000 0.971 197 E CA 1.133 57.337 56.400 -0.326 0.000 0.821 197 E CB 0.207 29.452 29.700 -0.759 0.000 0.777 197 E HN 0.228 nan 8.360 nan 0.000 0.460 198 Y N -1.355 118.925 120.300 -0.033 0.000 2.498 198 Y HA 0.393 4.944 4.550 0.002 0.000 0.259 198 Y C 1.550 177.439 175.900 -0.018 0.000 1.086 198 Y CA 0.032 58.126 58.100 -0.010 0.000 1.287 198 Y CB 0.258 38.722 38.460 0.007 0.000 1.146 198 Y HN -0.034 nan 8.280 nan 0.000 0.523 199 S N 0.205 115.980 115.700 0.124 0.000 2.651 199 S HA 0.156 4.664 4.470 0.065 0.000 0.246 199 S C 0.243 174.861 174.600 0.030 0.000 1.039 199 S CA -0.503 57.737 58.200 0.068 0.000 1.013 199 S CB -0.381 62.856 63.200 0.062 0.000 0.861 199 S HN 0.185 nan 8.310 nan 0.000 0.485 200 K N 0.639 121.052 120.400 0.022 0.000 2.416 200 K HA 0.339 4.698 4.320 0.065 0.000 0.283 200 K C 1.187 177.787 176.600 -0.000 0.000 1.037 200 K CA 1.179 57.468 56.287 0.004 0.000 0.995 200 K CB -0.085 32.414 32.500 -0.002 0.000 0.938 200 K HN 0.308 nan 8.250 nan 0.000 0.475 201 G N 2.111 110.906 108.800 -0.009 0.000 2.184 201 G HA2 -0.265 3.734 3.960 0.065 0.000 0.264 201 G HA3 -0.265 3.734 3.960 0.065 0.000 0.264 201 G C 0.411 175.300 174.900 -0.019 0.000 0.975 201 G CA 0.442 45.531 45.100 -0.020 0.000 0.642 201 G HN 0.461 nan 8.290 nan 0.000 0.536 202 V N 0.346 120.256 119.914 -0.007 0.000 3.050 202 V HA 0.266 4.425 4.120 0.065 0.000 0.223 202 V C 2.334 178.427 176.094 -0.001 0.000 1.162 202 V CA 2.137 64.434 62.300 -0.005 0.000 1.247 202 V CB 0.307 32.135 31.823 0.007 0.000 1.125 202 V HN 0.908 nan 8.190 nan 0.000 0.508 203 S N -1.151 114.560 115.700 0.019 0.000 2.539 203 S HA 0.236 4.745 4.470 0.065 0.000 0.221 203 S C 0.451 175.089 174.600 0.064 0.000 0.987 203 S CA -0.111 58.111 58.200 0.038 0.000 0.929 203 S CB 0.350 63.584 63.200 0.056 0.000 0.832 203 S HN 0.460 nan 8.310 nan 0.000 0.492 204 Q N 0.535 120.360 119.800 0.042 0.000 2.345 204 Q HA 0.588 4.967 4.340 0.065 0.000 0.275 204 Q C -2.379 173.632 176.000 0.019 0.000 1.063 204 Q CA -0.703 55.134 55.803 0.057 0.000 0.819 204 Q CB 2.282 31.039 28.738 0.032 0.000 1.356 204 Q HN 0.414 nan 8.270 nan 0.000 0.418 205 L N 5.256 126.491 121.223 0.020 0.000 2.457 205 L HA 0.501 4.879 4.340 0.065 0.000 0.266 205 L C -2.621 174.247 176.870 -0.004 0.000 0.979 205 L CA -1.355 53.478 54.840 -0.012 0.000 0.857 205 L CB 2.043 44.074 42.059 -0.046 0.000 1.213 205 L HN 0.417 nan 8.230 nan 0.000 0.418 206 P HA 0.145 nan 4.420 nan 0.000 0.264 206 P C -0.869 176.423 177.300 -0.013 0.000 1.193 206 P CA 0.333 63.434 63.100 0.002 0.000 0.763 206 P CB 0.467 32.165 31.700 -0.003 0.000 0.810 207 L N 3.642 124.865 121.223 -0.001 0.000 2.352 207 L HA 0.409 4.788 4.340 0.065 0.000 0.269 207 L C 1.992 178.831 176.870 -0.050 0.000 1.034 207 L CA -0.850 53.970 54.840 -0.033 0.000 0.806 207 L CB 1.110 43.170 42.059 0.002 0.000 1.244 207 L HN 0.361 nan 8.230 nan 0.000 0.447 208 R N 1.055 121.464 120.500 -0.151 0.000 2.083 208 R HA -0.113 4.266 4.340 0.065 0.000 0.237 208 R C -0.562 175.694 176.300 -0.074 0.000 1.137 208 R CA 1.767 57.753 56.100 -0.189 0.000 0.951 208 R CB -0.216 29.832 30.300 -0.421 0.000 0.851 208 R HN 0.633 nan 8.270 nan 0.000 0.434 209 Y N -4.430 115.900 120.300 0.050 0.000 2.895 209 Y HA 0.528 5.116 4.550 0.064 0.000 0.339 209 Y C 0.197 176.121 175.900 0.040 0.000 1.363 209 Y CA -1.005 57.109 58.100 0.024 0.000 1.085 209 Y CB 0.042 38.498 38.460 -0.006 0.000 1.500 209 Y HN -0.070 nan 8.280 nan 0.000 0.442 210 G N 0.156 109.076 108.800 0.200 0.000 2.928 210 G HA2 0.273 4.272 3.960 0.065 0.000 0.163 210 G HA3 0.273 4.272 3.960 0.065 0.000 0.163 210 G C 0.482 175.308 174.900 -0.124 0.000 1.573 210 G CA -0.021 45.006 45.100 -0.121 0.000 1.084 210 G HN 0.706 nan 8.290 nan 0.000 0.569 211 M N 0.134 119.465 119.600 -0.448 0.000 2.202 211 M HA 0.052 4.571 4.480 0.065 0.000 0.262 211 M C 0.302 176.597 176.300 -0.008 0.000 1.063 211 M CA 1.034 56.213 55.300 -0.202 0.000 1.097 211 M CB -0.317 32.138 32.600 -0.243 0.000 1.382 211 M HN 0.351 nan 8.290 nan 0.000 0.413 212 N N -2.134 116.498 118.700 -0.113 0.000 2.416 212 N HA 0.271 5.050 4.740 0.065 0.000 0.276 212 N C -2.436 172.847 175.510 -0.379 0.000 1.261 212 N CA -1.208 51.739 53.050 -0.173 0.000 0.790 212 N CB 1.245 39.645 38.487 -0.145 0.000 1.554 212 N HN -0.269 nan 8.380 nan 0.000 0.481 213 P HA -0.153 nan 4.420 nan 0.000 0.216 213 P C 1.065 178.200 177.300 -0.275 0.000 1.150 213 P CA 1.424 64.077 63.100 -0.745 0.000 0.837 213 P CB -0.109 31.242 31.700 -0.583 0.000 0.786 214 H N -1.224 117.748 119.070 -0.163 0.000 2.563 214 H HA 0.072 4.668 4.556 0.065 0.000 0.272 214 H C 0.061 175.361 175.328 -0.046 0.000 1.005 214 H CA 0.402 56.402 56.048 -0.081 0.000 1.171 214 H CB -0.639 29.085 29.762 -0.064 0.000 1.351 214 H HN 0.231 nan 8.280 nan 0.000 0.602 215 Q N 2.072 121.622 119.800 -0.417 0.000 2.430 215 Q HA 0.355 4.733 4.340 0.065 0.000 0.245 215 Q C -0.585 175.365 176.000 -0.082 0.000 1.021 215 Q CA -0.529 55.116 55.803 -0.263 0.000 0.867 215 Q CB 1.455 29.977 28.738 -0.359 0.000 1.210 215 Q HN 0.472 nan 8.270 nan 0.000 0.487 216 S N 1.175 116.861 115.700 -0.023 0.000 2.550 216 S HA 0.773 5.282 4.470 0.065 0.000 0.270 216 S C -2.403 172.212 174.600 0.025 0.000 1.145 216 S CA -1.207 57.011 58.200 0.029 0.000 0.852 216 S CB 1.067 64.302 63.200 0.057 0.000 1.119 216 S HN 0.398 nan 8.310 nan 0.000 0.465 217 P HA 0.857 nan 4.420 nan 0.000 0.282 217 P C -1.031 176.309 177.300 0.068 0.000 1.287 217 P CA -0.661 62.471 63.100 0.052 0.000 0.792 217 P CB 0.605 32.332 31.700 0.044 0.000 1.163 218 A N -0.233 122.642 122.820 0.092 0.000 2.572 218 A HA 0.669 5.027 4.320 0.065 0.000 0.295 218 A C -1.369 176.291 177.584 0.126 0.000 1.072 218 A CA -0.547 51.576 52.037 0.143 0.000 0.691 218 A CB 1.768 20.894 19.000 0.211 0.000 1.291 218 A HN 0.761 nan 8.150 nan 0.000 0.404 219 Q N -0.016 119.875 119.800 0.151 0.000 2.522 219 Q HA 0.726 5.104 4.340 0.065 0.000 0.285 219 Q C -1.902 174.145 176.000 0.078 0.000 0.982 219 Q CA -0.883 54.984 55.803 0.108 0.000 0.805 219 Q CB 1.602 30.419 28.738 0.132 0.000 1.457 219 Q HN 1.089 nan 8.270 nan 0.000 0.394 220 L N 2.214 123.449 121.223 0.019 0.000 2.346 220 L HA 0.794 5.173 4.340 0.065 0.000 0.276 220 L C -1.677 175.215 176.870 0.038 0.000 1.006 220 L CA -0.347 54.450 54.840 -0.070 0.000 0.817 220 L CB 1.526 43.495 42.059 -0.149 0.000 1.272 220 L HN 0.765 nan 8.230 nan 0.000 0.421 221 Y N 0.918 121.183 120.300 -0.058 0.000 2.670 221 Y HA 0.822 5.413 4.550 0.069 0.000 0.334 221 Y C -1.103 174.777 175.900 -0.034 0.000 1.185 221 Y CA -0.905 57.171 58.100 -0.041 0.000 1.053 221 Y CB 1.358 39.808 38.460 -0.017 0.000 1.298 221 Y HN 0.695 nan 8.280 nan 0.000 0.459 222 T N -0.238 114.445 114.554 0.214 0.000 2.909 222 T HA 0.352 4.741 4.350 0.065 0.000 0.299 222 T C 0.436 175.286 174.700 0.251 0.000 1.073 222 T CA -0.043 62.139 62.100 0.136 0.000 0.999 222 T CB 1.270 70.166 68.868 0.048 0.000 1.098 222 T HN 1.029 nan 8.240 nan 0.000 0.477 223 T N 1.260 115.936 114.554 0.203 0.000 3.160 223 T HA 0.232 4.620 4.350 0.065 0.000 0.257 223 T C 0.928 175.692 174.700 0.106 0.000 1.147 223 T CA 0.206 62.402 62.100 0.161 0.000 1.064 223 T CB -0.166 68.783 68.868 0.135 0.000 0.949 223 T HN 0.463 nan 8.240 nan 0.000 0.526 224 R N 1.310 121.871 120.500 0.102 0.000 2.580 224 R HA 0.300 4.679 4.340 0.065 0.000 0.267 224 R C -1.603 174.737 176.300 0.066 0.000 1.125 224 R CA -2.083 54.066 56.100 0.080 0.000 1.188 224 R CB -0.062 30.295 30.300 0.095 0.000 1.155 224 R HN -0.011 nan 8.270 nan 0.000 0.586 225 P HA -0.091 nan 4.420 nan 0.000 0.218 225 P C -0.575 176.744 177.300 0.032 0.000 1.149 225 P CA 1.563 64.685 63.100 0.037 0.000 0.817 225 P CB 0.379 32.096 31.700 0.027 0.000 0.785 226 K N -1.357 119.061 120.400 0.030 0.000 2.527 226 K HA 0.397 4.756 4.320 0.065 0.000 0.260 226 K C -0.912 175.682 176.600 -0.010 0.000 0.937 226 K CA -0.854 55.438 56.287 0.009 0.000 0.826 226 K CB 1.948 34.447 32.500 -0.000 0.000 1.359 226 K HN -0.162 nan 8.250 nan 0.000 0.434 227 L N 3.701 124.896 121.223 -0.046 0.000 2.426 227 L HA 0.185 4.564 4.340 0.065 0.000 0.271 227 L C -1.167 175.603 176.870 -0.166 0.000 1.169 227 L CA -1.146 53.623 54.840 -0.119 0.000 0.836 227 L CB 0.567 42.551 42.059 -0.125 0.000 1.112 227 L HN 0.567 nan 8.230 nan 0.000 0.465 228 P HA -0.016 nan 4.420 nan 0.000 0.236 228 P C -0.140 176.961 177.300 -0.332 0.000 1.177 228 P CA 0.389 63.293 63.100 -0.325 0.000 0.773 228 P CB 0.394 31.709 31.700 -0.643 0.000 0.878 229 L N 1.398 122.423 121.223 -0.331 0.000 2.287 229 L HA 0.443 4.822 4.340 0.065 0.000 0.287 229 L C -0.135 176.619 176.870 -0.193 0.000 1.022 229 L CA -0.226 54.437 54.840 -0.294 0.000 0.814 229 L CB 1.290 43.154 42.059 -0.326 0.000 1.217 229 L HN -0.113 nan 8.230 nan 0.000 0.420 230 T N 1.567 116.029 114.554 -0.153 0.000 2.924 230 T HA 0.692 5.081 4.350 0.065 0.000 0.291 230 T C -0.560 174.087 174.700 -0.089 0.000 1.045 230 T CA -0.855 61.182 62.100 -0.105 0.000 1.015 230 T CB 1.585 70.406 68.868 -0.079 0.000 1.103 230 T HN 0.243 nan 8.240 nan 0.000 0.496 231 V N 3.000 122.867 119.914 -0.079 0.000 2.364 231 V HA 0.192 4.351 4.120 0.065 0.000 0.272 231 V C 1.193 177.240 176.094 -0.079 0.000 1.036 231 V CA -0.437 61.816 62.300 -0.079 0.000 0.880 231 V CB 0.889 32.667 31.823 -0.075 0.000 0.991 231 V HN 0.915 nan 8.190 nan 0.000 0.460 232 V N 3.489 123.342 119.914 -0.101 0.000 2.878 232 V HA 0.158 4.317 4.120 0.065 0.000 0.250 232 V C 0.683 176.702 176.094 -0.126 0.000 1.075 232 V CA 0.729 62.957 62.300 -0.119 0.000 1.096 232 V CB -0.591 31.116 31.823 -0.193 0.000 0.724 232 V HN 0.902 nan 8.190 nan 0.000 0.467 233 N N -1.598 117.022 118.700 -0.134 0.000 2.598 233 N HA 0.528 5.307 4.740 0.065 0.000 0.263 233 N C -0.101 175.348 175.510 -0.102 0.000 1.254 233 N CA 0.587 53.573 53.050 -0.108 0.000 0.863 233 N CB 1.872 40.293 38.487 -0.110 0.000 1.586 233 N HN 0.408 nan 8.380 nan 0.000 0.491 234 G N 0.903 109.660 108.800 -0.071 0.000 2.562 234 G HA2 -0.019 3.980 3.960 0.065 0.000 0.250 234 G HA3 -0.019 3.980 3.960 0.065 0.000 0.250 234 G C -0.781 174.081 174.900 -0.063 0.000 1.269 234 G CA 0.029 45.091 45.100 -0.064 0.000 0.919 234 G HN 1.319 nan 8.290 nan 0.000 0.574 235 S N 1.118 116.779 115.700 -0.064 0.000 2.626 235 S HA 0.667 5.176 4.470 0.065 0.000 0.275 235 S C -2.861 171.695 174.600 -0.073 0.000 1.175 235 S CA 0.149 58.310 58.200 -0.065 0.000 0.982 235 S CB 2.234 65.400 63.200 -0.055 0.000 1.093 235 S HN 0.856 nan 8.310 nan 0.000 0.472 236 P HA 0.445 nan 4.420 nan 0.000 0.278 236 P C 0.244 177.463 177.300 -0.135 0.000 1.238 236 P CA -0.151 62.899 63.100 -0.083 0.000 0.794 236 P CB 1.109 32.749 31.700 -0.100 0.000 0.955 237 G N 0.640 109.348 108.800 -0.154 0.000 2.613 237 G HA2 0.262 4.261 3.960 0.065 0.000 0.303 237 G HA3 0.262 4.261 3.960 0.065 0.000 0.303 237 G C 0.148 174.991 174.900 -0.095 0.000 1.312 237 G CA -0.724 44.242 45.100 -0.223 0.000 1.036 237 G HN 0.394 nan 8.290 nan 0.000 0.513 238 F N -0.300 119.548 119.950 -0.169 0.000 2.051 238 F HA -0.036 4.528 4.527 0.062 0.000 0.296 238 F C 2.569 178.323 175.800 -0.077 0.000 1.122 238 F CA 1.558 59.504 58.000 -0.090 0.000 1.201 238 F CB -0.090 38.896 39.000 -0.023 0.000 0.978 238 F HN 0.229 nan 8.300 nan 0.000 0.472 239 I N 0.322 121.047 120.570 0.259 0.000 2.286 239 I HA -0.351 3.858 4.170 0.065 0.000 0.248 239 I C 1.934 178.023 176.117 -0.047 0.000 1.115 239 I CA 1.697 63.089 61.300 0.152 0.000 1.392 239 I CB -0.753 37.356 38.000 0.182 0.000 1.065 239 I HN 0.248 nan 8.210 nan 0.000 0.418 240 N N 0.778 119.422 118.700 -0.093 0.000 2.091 240 N HA -0.222 4.557 4.740 0.065 0.000 0.193 240 N C 1.864 177.005 175.510 -0.615 0.000 1.021 240 N CA 1.249 54.119 53.050 -0.299 0.000 0.862 240 N CB -0.168 38.235 38.487 -0.140 0.000 1.018 240 N HN 0.301 nan 8.380 nan 0.000 0.429 241 L N 0.110 121.076 121.223 -0.429 0.000 2.109 241 L HA -0.118 4.260 4.340 0.065 0.000 0.207 241 L C 2.362 179.000 176.870 -0.385 0.000 1.086 241 L CA 0.583 55.152 54.840 -0.452 0.000 0.760 241 L CB -0.424 41.383 42.059 -0.420 0.000 0.910 241 L HN 0.383 nan 8.230 nan 0.000 0.437 242 C N -0.048 119.074 119.300 -0.297 0.000 2.413 242 C HA -0.176 4.323 4.460 0.065 0.000 0.276 242 C C 2.459 177.392 174.990 -0.096 0.000 1.248 242 C CA 0.637 59.569 59.018 -0.144 0.000 1.742 242 C CB -0.742 26.997 27.740 -0.003 0.000 2.017 242 C HN 0.550 nan 8.230 nan 0.000 0.481 243 D N 0.749 121.065 120.400 -0.140 0.000 2.097 243 D HA -0.052 4.627 4.640 0.065 0.000 0.197 243 D C 2.365 178.419 176.300 -0.410 0.000 0.984 243 D CA 1.667 55.614 54.000 -0.090 0.000 0.826 243 D CB -0.583 40.227 40.800 0.016 0.000 0.973 243 D HN 0.470 nan 8.370 nan 0.000 0.460 244 A N 0.996 123.442 122.820 -0.623 0.000 1.883 244 A HA -0.149 4.210 4.320 0.065 0.000 0.217 244 A C 2.426 179.832 177.584 -0.298 0.000 1.186 244 A CA 1.121 52.835 52.037 -0.538 0.000 0.624 244 A CB -0.859 17.698 19.000 -0.738 0.000 0.822 244 A HN 0.206 nan 8.150 nan 0.000 0.444 245 L N -0.533 120.524 121.223 -0.276 0.000 2.156 245 L HA -0.126 4.253 4.340 0.065 0.000 0.208 245 L C 2.321 179.111 176.870 -0.135 0.000 1.095 245 L CA 0.843 55.592 54.840 -0.151 0.000 0.770 245 L CB -0.515 41.455 42.059 -0.148 0.000 0.914 245 L HN 0.403 nan 8.230 nan 0.000 0.439 246 N N 0.308 118.876 118.700 -0.221 0.000 2.173 246 N HA -0.079 4.700 4.740 0.065 0.000 0.184 246 N C 1.940 177.057 175.510 -0.654 0.000 1.025 246 N CA 1.412 54.304 53.050 -0.263 0.000 0.852 246 N CB -0.054 38.483 38.487 0.084 0.000 0.998 246 N HN 0.254 nan 8.380 nan 0.000 0.427 247 A N 1.526 123.706 122.820 -1.067 0.000 1.933 247 A HA -0.163 4.196 4.320 0.065 0.000 0.218 247 A C 2.032 179.384 177.584 -0.386 0.000 1.175 247 A CA 0.921 52.356 52.037 -1.003 0.000 0.628 247 A CB -1.077 17.383 19.000 -0.901 0.000 0.814 247 A HN 0.603 nan 8.150 nan 0.000 0.444 248 W N 0.766 121.828 121.300 -0.396 0.000 2.335 248 W HA -0.248 4.452 4.660 0.068 0.000 0.311 248 W C 2.033 178.392 176.519 -0.266 0.000 1.213 248 W CA 2.061 59.254 57.345 -0.254 0.000 1.274 248 W CB -0.407 28.931 29.460 -0.202 0.000 1.148 248 W HN 0.515 nan 8.180 nan 0.000 0.498 249 Q N 0.608 120.145 119.800 -0.438 0.000 2.096 249 Q HA -0.251 4.128 4.340 0.065 0.000 0.204 249 Q C 2.495 178.089 176.000 -0.677 0.000 0.982 249 Q CA 1.997 57.454 55.803 -0.576 0.000 0.850 249 Q CB -0.648 27.730 28.738 -0.600 0.000 0.901 249 Q HN 0.392 nan 8.270 nan 0.000 0.422 250 L N 0.619 121.376 121.223 -0.777 0.000 1.971 250 L HA -0.217 4.162 4.340 0.065 0.000 0.215 250 L C 2.414 179.137 176.870 -0.244 0.000 1.072 250 L CA 1.715 56.320 54.840 -0.392 0.000 0.758 250 L CB -0.378 41.597 42.059 -0.140 0.000 0.889 250 L HN 0.266 nan 8.230 nan 0.000 0.433 251 V N -2.481 117.252 119.914 -0.302 0.000 2.427 251 V HA -0.247 3.912 4.120 0.065 0.000 0.248 251 V C 2.488 178.355 176.094 -0.377 0.000 1.051 251 V CA 1.993 64.134 62.300 -0.265 0.000 1.048 251 V CB -0.872 30.819 31.823 -0.220 0.000 0.666 251 V HN 0.529 nan 8.190 nan 0.000 0.456 252 K N 0.413 120.434 120.400 -0.632 0.000 2.097 252 K HA -0.220 4.139 4.320 0.065 0.000 0.206 252 K C 2.188 178.609 176.600 -0.298 0.000 1.049 252 K CA 2.127 58.062 56.287 -0.587 0.000 0.933 252 K CB -0.203 31.815 32.500 -0.803 0.000 0.717 252 K HN 0.682 nan 8.250 nan 0.000 0.442 253 E N 0.491 120.550 120.200 -0.234 0.000 2.107 253 E HA -0.121 4.268 4.350 0.065 0.000 0.191 253 E C 2.080 178.636 176.600 -0.073 0.000 0.982 253 E CA 0.750 57.087 56.400 -0.104 0.000 0.809 253 E CB 0.039 29.730 29.700 -0.015 0.000 0.756 253 E HN 0.272 nan 8.360 nan 0.000 0.459 254 L N 0.866 122.042 121.223 -0.078 0.000 1.994 254 L HA -0.238 4.140 4.340 0.065 0.000 0.208 254 L C 2.540 179.379 176.870 -0.052 0.000 1.071 254 L CA 1.287 56.101 54.840 -0.043 0.000 0.745 254 L CB -0.289 41.751 42.059 -0.032 0.000 0.892 254 L HN 0.034 nan 8.230 nan 0.000 0.431 255 K N 0.081 120.428 120.400 -0.087 0.000 2.063 255 K HA -0.228 4.130 4.320 0.065 0.000 0.208 255 K C 2.086 178.650 176.600 -0.061 0.000 1.048 255 K CA 1.592 57.834 56.287 -0.075 0.000 0.928 255 K CB -0.113 32.323 32.500 -0.106 0.000 0.713 255 K HN 0.260 nan 8.250 nan 0.000 0.442 256 Q N -0.732 119.024 119.800 -0.073 0.000 2.050 256 Q HA -0.100 4.278 4.340 0.065 0.000 0.202 256 Q C 2.130 178.107 176.000 -0.038 0.000 0.980 256 Q CA 1.736 57.508 55.803 -0.053 0.000 0.840 256 Q CB -0.250 28.453 28.738 -0.058 0.000 0.898 256 Q HN 0.471 nan 8.270 nan 0.000 0.424 257 A N 0.142 122.941 122.820 -0.035 0.000 1.930 257 A HA -0.084 4.274 4.320 0.065 0.000 0.217 257 A C 1.798 179.374 177.584 -0.013 0.000 1.175 257 A CA 1.118 53.140 52.037 -0.025 0.000 0.627 257 A CB -0.176 18.812 19.000 -0.020 0.000 0.815 257 A HN 0.302 nan 8.150 nan 0.000 0.443 258 L N -2.316 118.900 121.223 -0.011 0.000 2.672 258 L HA 0.309 4.688 4.340 0.065 0.000 0.236 258 L C 1.503 178.370 176.870 -0.005 0.000 1.092 258 L CA 0.429 55.268 54.840 -0.002 0.000 0.887 258 L CB 0.083 42.145 42.059 0.005 0.000 1.168 258 L HN 0.491 nan 8.230 nan 0.000 0.502 259 G N 1.764 110.557 108.800 -0.013 0.000 2.198 259 G HA2 -0.277 3.722 3.960 0.065 0.000 0.260 259 G HA3 -0.277 3.722 3.960 0.065 0.000 0.260 259 G C -0.062 174.834 174.900 -0.006 0.000 1.025 259 G CA 0.272 45.365 45.100 -0.011 0.000 0.769 259 G HN 0.305 nan 8.290 nan 0.000 0.507 260 I N -0.153 120.413 120.570 -0.006 0.000 2.647 260 I HA 0.336 4.545 4.170 0.065 0.000 0.295 260 I C -2.298 173.819 176.117 -0.002 0.000 1.078 260 I CA -2.802 58.500 61.300 0.002 0.000 1.048 260 I CB 2.565 40.571 38.000 0.011 0.000 1.239 260 I HN -0.196 nan 8.210 nan 0.000 0.421 261 P HA 0.068 nan 4.420 nan 0.000 0.264 261 P C -1.037 176.269 177.300 0.010 0.000 1.179 261 P CA 0.149 63.250 63.100 0.003 0.000 0.763 261 P CB 0.550 32.260 31.700 0.016 0.000 0.806 262 A N 1.857 124.676 122.820 -0.002 0.000 2.515 262 A HA 0.898 5.257 4.320 0.065 0.000 0.296 262 A C -1.191 176.412 177.584 0.031 0.000 1.094 262 A CA -0.302 51.741 52.037 0.009 0.000 0.718 262 A CB 1.850 20.835 19.000 -0.026 0.000 1.307 262 A HN 0.548 nan 8.150 nan 0.000 0.408 263 A N -0.611 122.255 122.820 0.078 0.000 2.609 263 A HA 1.026 5.384 4.320 0.065 0.000 0.291 263 A C -0.605 177.089 177.584 0.183 0.000 1.096 263 A CA -0.056 52.069 52.037 0.146 0.000 0.684 263 A CB 1.223 20.369 19.000 0.244 0.000 1.282 263 A HN 2.668 nan 8.150 nan 0.000 0.412 264 A N -0.292 122.683 122.820 0.258 0.000 2.574 264 A HA 0.796 5.154 4.320 0.065 0.000 0.297 264 A C -0.684 177.157 177.584 0.429 0.000 1.062 264 A CA 0.164 52.390 52.037 0.314 0.000 0.686 264 A CB 1.361 20.552 19.000 0.318 0.000 1.285 264 A HN 1.865 nan 8.150 nan 0.000 0.403 265 S N 0.926 116.876 115.700 0.417 0.000 2.566 265 S HA 0.734 5.243 4.470 0.065 0.000 0.324 265 S C -1.454 173.403 174.600 0.428 0.000 1.081 265 S CA -0.241 58.213 58.200 0.423 0.000 1.105 265 S CB -0.209 63.158 63.200 0.279 0.000 0.981 265 S HN 0.469 nan 8.310 nan 0.000 0.464 266 F N 3.452 123.538 119.950 0.226 0.000 2.450 266 F HA 0.733 5.299 4.527 0.065 0.000 0.332 266 F C 0.142 176.059 175.800 0.194 0.000 1.093 266 F CA -0.713 57.407 58.000 0.202 0.000 1.003 266 F CB 1.951 41.069 39.000 0.198 0.000 1.151 266 F HN 0.460 nan 8.300 nan 0.000 0.474 267 K N 1.929 122.430 120.400 0.169 0.000 2.565 267 K HA 0.320 4.679 4.320 0.065 0.000 0.251 267 K C -0.692 176.007 176.600 0.164 0.000 0.956 267 K CA -0.406 55.974 56.287 0.156 0.000 0.809 267 K CB 0.370 32.970 32.500 0.167 0.000 1.267 267 K HN 0.599 nan 8.250 nan 0.000 0.438 268 H N 3.113 122.286 119.070 0.172 0.000 2.713 268 H HA -0.145 4.450 4.556 0.065 0.000 0.311 268 H C -0.227 175.188 175.328 0.145 0.000 1.175 268 H CA 1.220 57.357 56.048 0.148 0.000 1.143 268 H CB -1.394 28.437 29.762 0.115 0.000 1.434 268 H HN 0.678 nan 8.280 nan 0.000 0.418 269 V N -1.843 118.240 119.914 0.282 0.000 4.349 269 V HA -0.301 3.858 4.120 0.065 0.000 0.247 269 V C 0.647 176.881 176.094 0.234 0.000 0.442 269 V CA 1.551 64.070 62.300 0.364 0.000 0.865 269 V CB -1.981 30.024 31.823 0.303 0.000 0.887 269 V HN 0.577 nan 8.190 nan 0.000 1.302 270 S N -0.286 115.325 115.700 -0.150 0.000 2.588 270 S HA 0.740 5.249 4.470 0.065 0.000 0.275 270 S C -2.891 171.057 174.600 -1.086 0.000 1.130 270 S CA -1.155 56.783 58.200 -0.436 0.000 0.855 270 S CB 2.965 66.100 63.200 -0.108 0.000 1.116 270 S HN 0.194 nan 8.310 nan 0.000 0.472 271 P HA 0.303 nan 4.420 nan 0.000 0.276 271 P C -0.149 177.023 177.300 -0.214 0.000 1.243 271 P CA -0.205 62.521 63.100 -0.623 0.000 0.768 271 P CB 0.662 32.269 31.700 -0.156 0.000 0.856 272 A N 3.495 126.265 122.820 -0.085 0.000 2.016 272 A HA 0.407 4.766 4.320 0.065 0.000 0.217 272 A C 1.066 178.680 177.584 0.049 0.000 1.162 272 A CA 1.468 53.519 52.037 0.024 0.000 0.662 272 A CB -0.626 18.426 19.000 0.086 0.000 0.812 272 A HN 0.623 nan 8.150 nan 0.000 0.450 273 G N -2.984 105.856 108.800 0.067 0.000 2.601 273 G HA2 0.679 4.677 3.960 0.065 0.000 0.291 273 G HA3 0.679 4.677 3.960 0.065 0.000 0.291 273 G C -1.300 173.669 174.900 0.115 0.000 1.456 273 G CA 0.135 45.279 45.100 0.073 0.000 0.804 273 G HN 1.273 nan 8.290 nan 0.000 0.499 274 A N -1.024 121.852 122.820 0.093 0.000 2.582 274 A HA 1.080 5.438 4.320 0.065 0.000 0.297 274 A C -0.485 177.144 177.584 0.075 0.000 1.059 274 A CA 0.359 52.465 52.037 0.114 0.000 0.705 274 A CB 1.225 20.308 19.000 0.138 0.000 1.279 274 A HN 2.623 nan 8.150 nan 0.000 0.404 275 A N 0.239 123.106 122.820 0.079 0.000 2.586 275 A HA 0.872 5.231 4.320 0.065 0.000 0.290 275 A C -0.472 177.148 177.584 0.059 0.000 1.086 275 A CA 0.033 52.106 52.037 0.061 0.000 0.665 275 A CB 0.536 19.575 19.000 0.065 0.000 1.279 275 A HN 2.339 nan 8.150 nan 0.000 0.423 276 V N -1.443 118.500 119.914 0.049 0.000 2.966 276 V HA 0.847 5.006 4.120 0.065 0.000 0.317 276 V C 0.823 176.950 176.094 0.056 0.000 1.070 276 V CA -0.053 62.272 62.300 0.042 0.000 1.008 276 V CB 1.474 33.314 31.823 0.028 0.000 1.070 276 V HN 1.743 nan 8.190 nan 0.000 0.457 277 G N 1.733 110.566 108.800 0.055 0.000 3.353 277 G HA2 0.353 4.352 3.960 0.065 0.000 0.247 277 G HA3 0.353 4.352 3.960 0.065 0.000 0.247 277 G C 0.047 174.988 174.900 0.068 0.000 1.025 277 G CA -0.284 44.856 45.100 0.067 0.000 1.863 277 G HN 0.634 nan 8.290 nan 0.000 0.635 278 I N 1.381 121.995 120.570 0.074 0.000 2.533 278 I HA 0.128 4.337 4.170 0.065 0.000 0.284 278 I C -1.742 174.435 176.117 0.101 0.000 1.109 278 I CA -1.642 59.705 61.300 0.079 0.000 1.412 278 I CB 1.050 39.097 38.000 0.079 0.000 1.396 278 I HN 0.079 nan 8.210 nan 0.000 0.543 279 P HA -0.008 nan 4.420 nan 0.000 0.263 279 P C -0.841 176.555 177.300 0.160 0.000 1.175 279 P CA -0.074 63.096 63.100 0.117 0.000 0.761 279 P CB 0.298 32.054 31.700 0.093 0.000 0.794 280 L N 2.582 123.930 121.223 0.209 0.000 2.326 280 L HA 0.240 4.619 4.340 0.065 0.000 0.278 280 L C 1.102 178.133 176.870 0.267 0.000 1.092 280 L CA 0.347 55.319 54.840 0.221 0.000 0.810 280 L CB 0.470 42.637 42.059 0.180 0.000 1.153 280 L HN 0.400 nan 8.230 nan 0.000 0.439 281 S N 1.210 117.025 115.700 0.192 0.000 2.608 281 S HA 0.083 4.592 4.470 0.065 0.000 0.261 281 S C 1.077 175.715 174.600 0.063 0.000 1.314 281 S CA -0.074 58.231 58.200 0.176 0.000 0.992 281 S CB 0.480 63.776 63.200 0.159 0.000 0.935 281 S HN 0.738 nan 8.310 nan 0.000 0.564 282 E N 0.593 120.847 120.200 0.090 0.000 2.077 282 E HA -0.207 4.182 4.350 0.065 0.000 0.193 282 E C 1.809 178.380 176.600 -0.047 0.000 0.989 282 E CA 1.601 57.991 56.400 -0.018 0.000 0.800 282 E CB -0.202 29.588 29.700 0.151 0.000 0.746 282 E HN 0.834 nan 8.360 nan 0.000 0.452 283 E N -0.013 120.184 120.200 -0.004 0.000 2.106 283 E HA -0.205 4.184 4.350 0.065 0.000 0.192 283 E C 2.001 178.551 176.600 -0.084 0.000 0.984 283 E CA 1.018 57.393 56.400 -0.042 0.000 0.806 283 E CB -0.000 29.711 29.700 0.019 0.000 0.750 283 E HN 0.156 nan 8.360 nan 0.000 0.458 284 E N 0.994 121.190 120.200 -0.005 0.000 2.106 284 E HA -0.101 4.288 4.350 0.065 0.000 0.192 284 E C 1.824 178.396 176.600 -0.046 0.000 0.984 284 E CA 1.136 57.540 56.400 0.007 0.000 0.806 284 E CB -0.162 29.642 29.700 0.173 0.000 0.750 284 E HN 0.237 nan 8.360 nan 0.000 0.458 285 A N 0.237 122.999 122.820 -0.097 0.000 2.019 285 A HA -0.224 4.135 4.320 0.065 0.000 0.219 285 A C 2.063 179.615 177.584 -0.054 0.000 1.164 285 A CA 1.579 53.547 52.037 -0.115 0.000 0.644 285 A CB -0.423 18.350 19.000 -0.378 0.000 0.805 285 A HN 0.323 nan 8.150 nan 0.000 0.449 286 Q N -0.628 119.120 119.800 -0.086 0.000 2.049 286 Q HA -0.083 4.296 4.340 0.065 0.000 0.198 286 Q C 2.117 178.041 176.000 -0.126 0.000 0.971 286 Q CA 1.498 57.237 55.803 -0.107 0.000 0.833 286 Q CB -0.325 28.306 28.738 -0.178 0.000 0.896 286 Q HN 0.465 nan 8.270 nan 0.000 0.434 287 V N 0.307 120.098 119.914 -0.205 0.000 2.380 287 V HA -0.298 3.861 4.120 0.065 0.000 0.251 287 V C 1.938 177.969 176.094 -0.104 0.000 1.063 287 V CA 1.400 63.548 62.300 -0.254 0.000 1.055 287 V CB -0.380 31.121 31.823 -0.536 0.000 0.657 287 V HN 0.494 nan 8.190 nan 0.000 0.455 288 C N -0.160 119.110 119.300 -0.050 0.000 2.697 288 C HA 0.289 4.788 4.460 0.065 0.000 0.267 288 C C 1.250 176.239 174.990 -0.002 0.000 1.278 288 C CA -0.587 58.432 59.018 0.002 0.000 1.708 288 C CB -1.047 26.712 27.740 0.032 0.000 1.860 288 C HN 0.657 nan 8.230 nan 0.000 0.589 289 M N -0.089 119.503 119.600 -0.013 0.000 2.297 289 M HA -0.135 4.384 4.480 0.065 0.000 0.200 289 M C 0.410 176.722 176.300 0.021 0.000 0.414 289 M CA 0.744 56.042 55.300 -0.003 0.000 0.449 289 M CB -2.236 30.355 32.600 -0.016 0.000 1.436 289 M HN 0.456 nan 8.290 nan 0.000 0.912 290 V N -4.721 115.215 119.914 0.036 0.000 3.329 290 V HA 0.176 4.335 4.120 0.065 0.000 0.317 290 V C 1.749 177.880 176.094 0.061 0.000 1.495 290 V CA 0.480 62.810 62.300 0.051 0.000 1.105 290 V CB 0.010 31.868 31.823 0.058 0.000 0.985 290 V HN 0.651 nan 8.190 nan 0.000 0.475 291 H N 3.430 122.481 119.070 -0.032 0.000 2.390 291 H HA -0.212 4.383 4.556 0.065 0.000 0.298 291 H C 1.865 177.216 175.328 0.039 0.000 1.106 291 H CA 2.620 58.644 56.048 -0.040 0.000 1.297 291 H CB 0.048 29.772 29.762 -0.064 0.000 1.375 291 H HN 0.769 nan 8.280 nan 0.000 0.509 292 D N 0.489 120.917 120.400 0.046 0.000 2.310 292 D HA -0.132 4.547 4.640 0.065 0.000 0.212 292 D C 1.830 178.120 176.300 -0.017 0.000 0.965 292 D CA 0.616 54.620 54.000 0.006 0.000 0.879 292 D CB -0.509 40.321 40.800 0.049 0.000 0.921 292 D HN 0.450 nan 8.370 nan 0.000 0.510 293 L N -0.728 120.501 121.223 0.009 0.000 2.693 293 L HA 0.167 4.546 4.340 0.065 0.000 0.235 293 L C 2.205 179.109 176.870 0.057 0.000 1.127 293 L CA -0.381 54.474 54.840 0.026 0.000 0.914 293 L CB -0.363 41.721 42.059 0.042 0.000 1.193 293 L HN 0.061 nan 8.230 nan 0.000 0.502 294 H N 1.951 120.961 119.070 -0.101 0.000 2.261 294 H HA -0.275 4.319 4.556 0.064 0.000 0.290 294 H C 1.843 177.140 175.328 -0.051 0.000 1.081 294 H CA 2.178 58.173 56.048 -0.087 0.000 1.196 294 H CB 0.319 29.972 29.762 -0.182 0.000 1.350 294 H HN 0.236 nan 8.280 nan 0.000 0.498 295 K N -0.602 119.725 120.400 -0.122 0.000 2.228 295 K HA -0.141 4.218 4.320 0.065 0.000 0.205 295 K C 2.196 178.743 176.600 -0.089 0.000 1.045 295 K CA 1.820 58.009 56.287 -0.164 0.000 0.931 295 K CB -0.128 32.310 32.500 -0.103 0.000 0.727 295 K HN 0.558 nan 8.250 nan 0.000 0.458 296 T N -0.967 113.565 114.554 -0.037 0.000 3.067 296 T HA 0.100 4.488 4.350 0.065 0.000 0.257 296 T C 0.830 175.533 174.700 0.006 0.000 1.105 296 T CA -0.156 61.937 62.100 -0.012 0.000 1.104 296 T CB -0.212 68.657 68.868 0.002 0.000 0.925 296 T HN -0.025 nan 8.240 nan 0.000 0.498 297 L N 3.626 124.861 121.223 0.020 0.000 2.578 297 L HA 0.208 4.587 4.340 0.065 0.000 0.279 297 L C 1.061 177.950 176.870 0.033 0.000 1.227 297 L CA -0.094 54.776 54.840 0.049 0.000 0.900 297 L CB -0.051 42.067 42.059 0.098 0.000 1.144 297 L HN 0.417 nan 8.230 nan 0.000 0.496 298 T N -0.188 114.393 114.554 0.044 0.000 2.948 298 T HA 0.374 4.763 4.350 0.065 0.000 0.285 298 T C -1.954 172.777 174.700 0.051 0.000 1.019 298 T CA -2.012 60.110 62.100 0.037 0.000 1.013 298 T CB 1.829 70.717 68.868 0.033 0.000 1.117 298 T HN 0.251 nan 8.240 nan 0.000 0.533 299 P HA -0.114 nan 4.420 nan 0.000 0.216 299 P C 1.709 179.047 177.300 0.063 0.000 1.157 299 P CA 0.558 63.688 63.100 0.051 0.000 0.880 299 P CB -0.072 31.650 31.700 0.037 0.000 0.791 300 L N -0.563 120.694 121.223 0.056 0.000 2.042 300 L HA -0.149 4.230 4.340 0.065 0.000 0.210 300 L C 2.254 179.187 176.870 0.106 0.000 1.076 300 L CA 2.180 57.061 54.840 0.069 0.000 0.749 300 L CB -1.507 40.580 42.059 0.046 0.000 0.893 300 L HN -0.113 nan 8.230 nan 0.000 0.432 301 A N -1.709 121.172 122.820 0.101 0.000 1.933 301 A HA -0.184 4.174 4.320 0.065 0.000 0.218 301 A C 2.379 180.052 177.584 0.148 0.000 1.175 301 A CA 1.951 54.067 52.037 0.132 0.000 0.628 301 A CB -0.879 18.182 19.000 0.102 0.000 0.814 301 A HN 0.525 nan 8.150 nan 0.000 0.444 302 S N -0.020 115.752 115.700 0.121 0.000 2.368 302 S HA -0.032 4.477 4.470 0.065 0.000 0.225 302 S C 2.308 176.979 174.600 0.119 0.000 1.030 302 S CA 1.133 59.405 58.200 0.120 0.000 0.999 302 S CB -0.477 62.789 63.200 0.111 0.000 0.844 302 S HN 0.800 nan 8.310 nan 0.000 0.459 303 A N 0.686 123.578 122.820 0.121 0.000 1.877 303 A HA -0.146 4.213 4.320 0.065 0.000 0.216 303 A C 2.001 179.678 177.584 0.156 0.000 1.186 303 A CA 1.684 53.794 52.037 0.123 0.000 0.620 303 A CB -0.976 18.091 19.000 0.111 0.000 0.822 303 A HN 0.555 nan 8.150 nan 0.000 0.443 304 Y N 0.581 120.928 120.300 0.078 0.000 2.200 304 Y HA -0.033 4.557 4.550 0.065 0.000 0.290 304 Y C 2.699 178.657 175.900 0.097 0.000 1.137 304 Y CA 0.960 59.112 58.100 0.087 0.000 1.163 304 Y CB -0.735 37.772 38.460 0.079 0.000 0.988 304 Y HN 0.313 nan 8.280 nan 0.000 0.518 305 A N 0.663 123.462 122.820 -0.034 0.000 1.892 305 A HA -0.254 4.105 4.320 0.065 0.000 0.218 305 A C 2.352 179.895 177.584 -0.069 0.000 1.188 305 A CA 2.164 54.155 52.037 -0.077 0.000 0.631 305 A CB -0.675 18.356 19.000 0.051 0.000 0.822 305 A HN 0.540 nan 8.150 nan 0.000 0.447 306 R N -0.576 119.932 120.500 0.015 0.000 2.115 306 R HA -0.038 4.341 4.340 0.065 0.000 0.230 306 R C 2.525 178.841 176.300 0.027 0.000 1.111 306 R CA 1.342 57.486 56.100 0.074 0.000 0.976 306 R CB -0.310 30.055 30.300 0.109 0.000 0.870 306 R HN 0.518 nan 8.270 nan 0.000 0.445 307 S N 0.489 116.164 115.700 -0.042 0.000 2.355 307 S HA -0.116 4.393 4.470 0.065 0.000 0.222 307 S C 1.842 176.389 174.600 -0.089 0.000 1.031 307 S CA 1.000 59.184 58.200 -0.028 0.000 0.993 307 S CB -0.117 63.110 63.200 0.045 0.000 0.859 307 S HN 0.291 nan 8.310 nan 0.000 0.453 308 R N 0.547 120.858 120.500 -0.316 0.000 2.189 308 R HA -0.013 4.365 4.340 0.065 0.000 0.218 308 R C 2.194 178.467 176.300 -0.045 0.000 1.074 308 R CA 0.875 56.831 56.100 -0.240 0.000 0.991 308 R CB -0.389 29.620 30.300 -0.485 0.000 0.883 308 R HN 0.443 nan 8.270 nan 0.000 0.457 309 G N -0.427 108.375 108.800 0.003 0.000 2.598 309 G HA2 -0.145 3.854 3.960 0.065 0.000 0.215 309 G HA3 -0.145 3.854 3.960 0.065 0.000 0.215 309 G C 1.347 176.407 174.900 0.266 0.000 1.131 309 G CA 0.546 45.727 45.100 0.136 0.000 0.785 309 G HN 0.388 nan 8.290 nan 0.000 0.539 310 A N -0.083 122.850 122.820 0.188 0.000 1.865 310 A HA 0.010 4.369 4.320 0.065 0.000 0.217 310 A C 1.163 178.892 177.584 0.241 0.000 1.191 310 A CA 1.601 53.753 52.037 0.191 0.000 0.623 310 A CB -0.024 19.019 19.000 0.071 0.000 0.826 310 A HN 0.296 nan 8.150 nan 0.000 0.444 311 D N -2.273 118.230 120.400 0.172 0.000 2.375 311 D HA 0.261 4.940 4.640 0.065 0.000 0.241 311 D C 0.519 176.903 176.300 0.140 0.000 1.361 311 D CA -0.434 53.664 54.000 0.164 0.000 0.995 311 D CB 0.672 41.557 40.800 0.141 0.000 1.312 311 D HN 0.188 nan 8.370 nan 0.000 0.576 312 R N 2.260 122.840 120.500 0.134 0.000 2.148 312 R HA 0.028 4.407 4.340 0.065 0.000 0.227 312 R C 1.840 178.228 176.300 0.147 0.000 1.103 312 R CA 0.812 56.984 56.100 0.120 0.000 0.983 312 R CB 0.300 30.656 30.300 0.093 0.000 0.874 312 R HN 0.478 nan 8.270 nan 0.000 0.451 313 M N -0.235 119.449 119.600 0.140 0.000 2.236 313 M HA -0.046 4.473 4.480 0.065 0.000 0.266 313 M C 2.102 178.510 176.300 0.180 0.000 1.070 313 M CA 1.234 56.622 55.300 0.147 0.000 1.137 313 M CB 0.025 32.680 32.600 0.092 0.000 1.378 313 M HN -0.012 nan 8.290 nan 0.000 0.426 314 S N 0.303 116.097 115.700 0.157 0.000 2.419 314 S HA -0.088 4.421 4.470 0.065 0.000 0.235 314 S C 1.832 176.549 174.600 0.196 0.000 1.019 314 S CA 1.267 59.565 58.200 0.164 0.000 0.982 314 S CB -0.189 63.090 63.200 0.131 0.000 0.789 314 S HN 0.386 nan 8.310 nan 0.000 0.490 315 S N 0.657 116.473 115.700 0.193 0.000 2.603 315 S HA 0.208 4.717 4.470 0.065 0.000 0.220 315 S C 0.294 175.027 174.600 0.222 0.000 0.967 315 S CA -0.328 57.990 58.200 0.196 0.000 0.920 315 S CB -0.262 63.030 63.200 0.154 0.000 0.773 315 S HN 0.526 nan 8.310 nan 0.000 0.529 316 F N 3.033 123.047 119.950 0.106 0.000 2.571 316 F HA 0.367 4.933 4.527 0.065 0.000 0.390 316 F C 1.243 177.109 175.800 0.110 0.000 1.043 316 F CA 0.491 58.550 58.000 0.097 0.000 1.164 316 F CB -0.270 38.780 39.000 0.083 0.000 1.049 316 F HN 0.265 nan 8.300 nan 0.000 0.552 317 G N 4.178 112.849 108.800 -0.214 0.000 2.246 317 G HA2 -0.281 3.718 3.960 0.065 0.000 0.273 317 G HA3 -0.281 3.718 3.960 0.065 0.000 0.273 317 G C -0.359 174.586 174.900 0.076 0.000 1.055 317 G CA 0.082 45.127 45.100 -0.091 0.000 0.851 317 G HN 1.023 nan 8.290 nan 0.000 0.500 318 D N -0.894 119.575 120.400 0.114 0.000 2.358 318 D HA 0.524 5.202 4.640 0.065 0.000 0.244 318 D C -0.059 176.348 176.300 0.178 0.000 1.163 318 D CA -0.987 53.131 54.000 0.196 0.000 0.945 318 D CB 0.763 41.713 40.800 0.250 0.000 1.152 318 D HN 0.054 nan 8.370 nan 0.000 0.451 319 F N -0.037 120.013 119.950 0.167 0.000 2.427 319 F HA 0.434 5.000 4.527 0.064 0.000 0.346 319 F C -0.289 175.607 175.800 0.160 0.000 1.120 319 F CA -1.001 57.067 58.000 0.113 0.000 1.033 319 F CB 0.789 39.828 39.000 0.066 0.000 1.126 319 F HN 0.205 nan 8.300 nan 0.000 0.462 320 I N 4.792 125.409 120.570 0.078 0.000 2.437 320 I HA 0.627 4.836 4.170 0.065 0.000 0.298 320 I C -0.346 175.887 176.117 0.193 0.000 0.984 320 I CA -0.811 60.574 61.300 0.143 0.000 1.214 320 I CB 1.632 39.557 38.000 -0.125 0.000 1.365 320 I HN 0.654 nan 8.210 nan 0.000 0.469 321 A N 7.192 130.127 122.820 0.192 0.000 2.355 321 A HA 0.868 5.227 4.320 0.065 0.000 0.317 321 A C -0.957 176.704 177.584 0.129 0.000 1.094 321 A CA -0.511 51.633 52.037 0.177 0.000 0.764 321 A CB 1.010 20.087 19.000 0.128 0.000 1.230 321 A HN 0.665 nan 8.150 nan 0.000 0.448 322 L N 2.444 123.746 121.223 0.131 0.000 2.356 322 L HA 0.356 4.735 4.340 0.065 0.000 0.277 322 L C 1.471 178.385 176.870 0.073 0.000 0.996 322 L CA -0.454 54.428 54.840 0.070 0.000 0.822 322 L CB 2.161 44.230 42.059 0.016 0.000 1.256 322 L HN 0.940 nan 8.230 nan 0.000 0.413 323 S N -0.030 115.652 115.700 -0.031 0.000 2.423 323 S HA -0.011 4.498 4.470 0.065 0.000 0.231 323 S C 0.337 174.928 174.600 -0.015 0.000 1.014 323 S CA 0.572 58.700 58.200 -0.120 0.000 0.965 323 S CB -0.120 62.995 63.200 -0.142 0.000 0.785 323 S HN 0.685 nan 8.310 nan 0.000 0.495 324 D N 0.064 120.464 120.400 -0.000 0.000 2.414 324 D HA 0.535 5.213 4.640 0.065 0.000 0.241 324 D C -0.384 175.889 176.300 -0.045 0.000 1.008 324 D CA -0.830 53.166 54.000 -0.006 0.000 1.001 324 D CB 0.894 41.689 40.800 -0.008 0.000 1.277 324 D HN 0.139 nan 8.370 nan 0.000 0.538 325 I N 0.868 121.403 120.570 -0.059 0.000 2.826 325 I HA -0.094 4.115 4.170 0.065 0.000 0.295 325 I C 0.638 176.686 176.117 -0.115 0.000 1.213 325 I CA 0.104 61.333 61.300 -0.120 0.000 1.436 325 I CB 0.202 38.163 38.000 -0.065 0.000 1.348 325 I HN 0.255 nan 8.210 nan 0.000 0.570 326 C N 7.911 127.091 119.300 -0.199 0.000 2.627 326 C HA 0.156 4.655 4.460 0.065 0.000 0.404 326 C C 0.342 175.339 174.990 0.013 0.000 1.340 326 C CA -0.629 58.344 59.018 -0.076 0.000 1.758 326 C CB -1.232 26.492 27.740 -0.026 0.000 2.501 326 C HN 0.853 nan 8.230 nan 0.000 0.588 327 D N 4.080 124.492 120.400 0.021 0.000 2.529 327 D HA 0.285 4.963 4.640 0.065 0.000 0.273 327 D C 1.002 177.325 176.300 0.039 0.000 1.197 327 D CA -0.715 53.303 54.000 0.030 0.000 1.070 327 D CB 0.353 41.167 40.800 0.023 0.000 1.134 327 D HN 0.258 nan 8.370 nan 0.000 0.590 328 V N -0.461 119.472 119.914 0.032 0.000 2.295 328 V HA -0.101 4.057 4.120 0.065 0.000 0.246 328 V C -0.905 175.206 176.094 0.027 0.000 1.049 328 V CA 1.654 63.970 62.300 0.027 0.000 1.024 328 V CB -1.847 29.988 31.823 0.019 0.000 0.648 328 V HN 0.518 nan 8.190 nan 0.000 0.447 329 P HA -0.125 nan 4.420 nan 0.000 0.215 329 P C 1.865 179.197 177.300 0.053 0.000 1.153 329 P CA 1.839 64.962 63.100 0.039 0.000 0.853 329 P CB -0.243 31.481 31.700 0.041 0.000 0.788 330 T N -0.527 114.060 114.554 0.056 0.000 2.708 330 T HA -0.139 4.249 4.350 0.065 0.000 0.266 330 T C 1.911 176.632 174.700 0.035 0.000 1.037 330 T CA 1.699 63.839 62.100 0.066 0.000 1.146 330 T CB -0.998 67.900 68.868 0.050 0.000 0.865 330 T HN 0.050 nan 8.240 nan 0.000 0.435 331 A N 1.529 124.364 122.820 0.025 0.000 1.933 331 A HA -0.130 4.229 4.320 0.065 0.000 0.218 331 A C 2.184 179.758 177.584 -0.016 0.000 1.175 331 A CA 2.138 54.176 52.037 0.002 0.000 0.628 331 A CB -0.548 18.463 19.000 0.017 0.000 0.814 331 A HN 0.499 nan 8.150 nan 0.000 0.444 332 K N -0.073 120.330 120.400 0.005 0.000 2.057 332 K HA -0.082 4.277 4.320 0.065 0.000 0.207 332 K C 1.699 178.306 176.600 0.012 0.000 1.049 332 K CA 1.710 57.998 56.287 0.002 0.000 0.931 332 K CB -0.390 32.118 32.500 0.013 0.000 0.714 332 K HN 0.478 nan 8.250 nan 0.000 0.440 333 I N 0.656 121.255 120.570 0.049 0.000 2.179 333 I HA -0.279 3.929 4.170 0.065 0.000 0.242 333 I C 2.200 178.366 176.117 0.081 0.000 1.088 333 I CA 1.299 62.653 61.300 0.090 0.000 1.357 333 I CB -0.224 37.882 38.000 0.176 0.000 1.051 333 I HN 0.187 nan 8.210 nan 0.000 0.409 334 I N -0.160 120.435 120.570 0.042 0.000 2.208 334 I HA -0.350 3.859 4.170 0.065 0.000 0.245 334 I C 2.783 178.821 176.117 -0.131 0.000 1.097 334 I CA 1.392 62.664 61.300 -0.047 0.000 1.363 334 I CB -0.451 37.450 38.000 -0.164 0.000 1.051 334 I HN 0.231 nan 8.210 nan 0.000 0.413 335 S N 1.290 116.910 115.700 -0.134 0.000 2.372 335 S HA -0.257 4.252 4.470 0.065 0.000 0.227 335 S C 2.019 176.539 174.600 -0.133 0.000 1.044 335 S CA 2.025 60.126 58.200 -0.165 0.000 1.050 335 S CB -0.280 62.856 63.200 -0.107 0.000 0.901 335 S HN 0.530 nan 8.310 nan 0.000 0.447 336 R N 0.013 120.470 120.500 -0.072 0.000 2.334 336 R HA 0.247 4.626 4.340 0.065 0.000 0.220 336 R C -0.217 176.056 176.300 -0.045 0.000 0.917 336 R CA 0.019 56.087 56.100 -0.054 0.000 1.073 336 R CB 0.028 30.311 30.300 -0.028 0.000 1.056 336 R HN 0.286 nan 8.270 nan 0.000 0.506 337 E N 1.221 121.392 120.200 -0.048 0.000 2.222 337 E HA 0.241 4.630 4.350 0.065 0.000 0.267 337 E C -0.633 175.911 176.600 -0.092 0.000 0.963 337 E CA -1.103 55.281 56.400 -0.028 0.000 0.837 337 E CB 2.428 32.160 29.700 0.052 0.000 1.183 337 E HN -0.128 nan 8.360 nan 0.000 0.403 338 V N 1.707 121.543 119.914 -0.130 0.000 2.405 338 V HA 0.223 4.382 4.120 0.065 0.000 0.264 338 V C 0.349 176.313 176.094 -0.216 0.000 1.048 338 V CA 0.148 62.278 62.300 -0.285 0.000 0.966 338 V CB 0.606 32.032 31.823 -0.662 0.000 1.015 338 V HN 0.513 nan 8.190 nan 0.000 0.477 339 S N 2.614 118.242 115.700 -0.119 0.000 2.546 339 S HA 0.462 4.971 4.470 0.065 0.000 0.274 339 S C 0.125 174.814 174.600 0.147 0.000 1.121 339 S CA -0.615 57.602 58.200 0.028 0.000 0.887 339 S CB 2.090 65.348 63.200 0.097 0.000 1.094 339 S HN 0.724 nan 8.310 nan 0.000 0.474 340 D N 1.676 122.104 120.400 0.047 0.000 2.355 340 D HA 0.374 5.053 4.640 0.065 0.000 0.206 340 D C 0.737 176.779 176.300 -0.430 0.000 1.010 340 D CA 1.205 55.183 54.000 -0.038 0.000 0.875 340 D CB 0.773 41.594 40.800 0.034 0.000 0.966 340 D HN 0.767 nan 8.370 nan 0.000 0.512 341 G N -0.976 107.309 108.800 -0.858 0.000 2.356 341 G HA2 0.419 4.418 3.960 0.065 0.000 0.294 341 G HA3 0.419 4.418 3.960 0.065 0.000 0.294 341 G C -2.082 171.845 174.900 -1.622 0.000 1.423 341 G CA -0.248 43.840 45.100 -1.687 0.000 0.806 341 G HN 0.084 nan 8.290 nan 0.000 0.527 342 V N -0.995 118.230 119.914 -1.149 0.000 3.012 342 V HA 0.854 5.013 4.120 0.065 0.000 0.307 342 V C -1.346 174.786 176.094 0.063 0.000 1.166 342 V CA -0.602 61.462 62.300 -0.394 0.000 0.974 342 V CB 1.883 33.667 31.823 -0.066 0.000 1.040 342 V HN 1.667 nan 8.190 nan 0.000 0.428 343 V N 5.587 125.644 119.914 0.240 0.000 2.709 343 V HA 1.046 5.205 4.120 0.065 0.000 0.308 343 V C -0.206 175.994 176.094 0.177 0.000 1.062 343 V CA 0.483 62.925 62.300 0.237 0.000 0.901 343 V CB 1.510 33.461 31.823 0.214 0.000 1.003 343 V HN 1.936 nan 8.190 nan 0.000 0.425 344 A N 6.755 129.600 122.820 0.041 0.000 2.599 344 A HA 0.890 5.248 4.320 0.065 0.000 0.290 344 A C -2.782 174.690 177.584 -0.186 0.000 1.101 344 A CA -0.766 51.226 52.037 -0.074 0.000 0.674 344 A CB 1.778 20.503 19.000 -0.457 0.000 1.277 344 A HN 0.534 nan 8.150 nan 0.000 0.419 345 P HA 0.228 nan 4.420 nan 0.000 0.236 345 P C 0.675 177.899 177.300 -0.127 0.000 1.177 345 P CA 1.482 64.539 63.100 -0.071 0.000 0.773 345 P CB 0.490 32.255 31.700 0.107 0.000 0.878 346 G N -1.343 107.285 108.800 -0.286 0.000 2.451 346 G HA2 0.490 4.489 3.960 0.065 0.000 0.292 346 G HA3 0.490 4.489 3.960 0.065 0.000 0.292 346 G C -2.383 172.211 174.900 -0.510 0.000 1.427 346 G CA -0.589 44.376 45.100 -0.225 0.000 0.792 346 G HN -0.109 nan 8.290 nan 0.000 0.498 347 Y N 0.182 120.482 120.300 0.000 0.000 2.401 347 Y HA 0.410 4.999 4.550 0.065 0.000 0.330 347 Y C 0.206 176.106 175.900 0.000 0.000 1.071 347 Y CA -0.936 57.164 58.100 0.001 0.000 1.049 347 Y CB 2.001 40.458 38.460 -0.005 0.000 1.239 347 Y HN 0.549 nan 8.280 nan 0.000 0.437 348 E N 3.178 123.452 120.200 0.123 0.000 2.392 348 E HA 0.004 4.393 4.350 0.065 0.000 0.264 348 E C 0.367 177.017 176.600 0.083 0.000 1.024 348 E CA -0.218 56.229 56.400 0.077 0.000 0.903 348 E CB 0.899 30.629 29.700 0.049 0.000 0.963 348 E HN 0.652 nan 8.360 nan 0.000 0.432 349 E N 2.604 122.836 120.200 0.054 0.000 2.086 349 E HA -0.300 4.089 4.350 0.065 0.000 0.200 349 E C 1.728 178.344 176.600 0.027 0.000 1.012 349 E CA 1.465 57.886 56.400 0.036 0.000 0.812 349 E CB -0.071 29.642 29.700 0.022 0.000 0.743 349 E HN 0.627 nan 8.360 nan 0.000 0.453 350 E N 0.430 120.645 120.200 0.026 0.000 2.058 350 E HA -0.186 4.203 4.350 0.065 0.000 0.194 350 E C 2.031 178.643 176.600 0.020 0.000 0.997 350 E CA 1.198 57.608 56.400 0.017 0.000 0.801 350 E CB -0.052 29.657 29.700 0.016 0.000 0.746 350 E HN 0.236 nan 8.360 nan 0.000 0.450 351 A N 0.727 123.572 122.820 0.043 0.000 1.902 351 A HA -0.168 4.190 4.320 0.065 0.000 0.217 351 A C 2.134 179.741 177.584 0.038 0.000 1.181 351 A CA 1.255 53.325 52.037 0.055 0.000 0.623 351 A CB -0.669 18.394 19.000 0.105 0.000 0.818 351 A HN 0.368 nan 8.150 nan 0.000 0.443 352 L N -0.137 121.108 121.223 0.037 0.000 2.042 352 L HA -0.171 4.208 4.340 0.065 0.000 0.210 352 L C 2.267 179.105 176.870 -0.053 0.000 1.076 352 L CA 2.239 57.050 54.840 -0.049 0.000 0.749 352 L CB -0.387 41.639 42.059 -0.054 0.000 0.893 352 L HN 0.336 nan 8.230 nan 0.000 0.432 353 K N -0.552 119.832 120.400 -0.027 0.000 2.057 353 K HA -0.149 4.209 4.320 0.065 0.000 0.207 353 K C 2.076 178.653 176.600 -0.038 0.000 1.049 353 K CA 1.861 58.130 56.287 -0.030 0.000 0.931 353 K CB -0.280 32.209 32.500 -0.019 0.000 0.714 353 K HN 0.382 nan 8.250 nan 0.000 0.440 354 I N 1.056 121.604 120.570 -0.036 0.000 2.252 354 I HA -0.280 3.928 4.170 0.065 0.000 0.245 354 I C 2.131 178.197 176.117 -0.086 0.000 1.102 354 I CA 1.185 62.453 61.300 -0.052 0.000 1.385 354 I CB -0.238 37.738 38.000 -0.040 0.000 1.064 354 I HN 0.116 nan 8.210 nan 0.000 0.414 355 L N -0.268 120.907 121.223 -0.080 0.000 2.056 355 L HA -0.154 4.225 4.340 0.065 0.000 0.207 355 L C 2.637 179.477 176.870 -0.049 0.000 1.078 355 L CA 1.067 55.845 54.840 -0.104 0.000 0.749 355 L CB -0.671 41.377 42.059 -0.018 0.000 0.901 355 L HN 0.132 nan 8.230 nan 0.000 0.433 356 S N -0.172 115.505 115.700 -0.038 0.000 2.419 356 S HA -0.175 4.334 4.470 0.065 0.000 0.235 356 S C 1.892 176.481 174.600 -0.018 0.000 1.019 356 S CA 1.216 59.404 58.200 -0.019 0.000 0.982 356 S CB -0.164 63.009 63.200 -0.045 0.000 0.789 356 S HN 0.341 nan 8.310 nan 0.000 0.490 357 K N 0.927 121.300 120.400 -0.046 0.000 2.362 357 K HA 0.034 4.393 4.320 0.065 0.000 0.200 357 K C 0.550 177.114 176.600 -0.059 0.000 1.046 357 K CA 0.617 56.875 56.287 -0.048 0.000 0.952 357 K CB 0.089 32.556 32.500 -0.054 0.000 0.753 357 K HN 0.293 nan 8.250 nan 0.000 0.466 358 K N 0.949 121.290 120.400 -0.098 0.000 2.219 358 K HA 0.051 4.410 4.320 0.065 0.000 0.258 358 K C -0.153 176.438 176.600 -0.016 0.000 1.008 358 K CA 0.065 56.269 56.287 -0.138 0.000 0.928 358 K CB 0.487 32.726 32.500 -0.435 0.000 0.983 358 K HN -0.105 nan 8.250 nan 0.000 0.484 359 K N 2.186 122.576 120.400 -0.017 0.000 3.156 359 K HA -0.356 4.003 4.320 0.065 0.000 0.266 359 K C -0.428 176.185 176.600 0.021 0.000 0.966 359 K CA 0.587 56.890 56.287 0.026 0.000 0.719 359 K CB -1.250 31.300 32.500 0.084 0.000 1.333 359 K HN 0.779 nan 8.250 nan 0.000 0.468 360 N N -1.835 116.866 118.700 0.002 0.000 2.828 360 N HA -0.215 4.564 4.740 0.065 0.000 0.248 360 N C 0.593 176.105 175.510 0.003 0.000 1.044 360 N CA 1.851 54.902 53.050 0.002 0.000 0.851 360 N CB -0.929 37.563 38.487 0.008 0.000 1.136 360 N HN 0.935 nan 8.380 nan 0.000 0.572 361 G N -2.205 106.599 108.800 0.007 0.000 2.168 361 G HA2 -0.120 3.879 3.960 0.065 0.000 0.197 361 G HA3 -0.120 3.879 3.960 0.065 0.000 0.197 361 G C 0.589 175.497 174.900 0.015 0.000 0.997 361 G CA 0.471 45.574 45.100 0.005 0.000 0.658 361 G HN 0.790 nan 8.290 nan 0.000 0.513 362 G N -0.537 108.282 108.800 0.032 0.000 3.651 362 G HA2 0.422 4.420 3.960 0.065 0.000 0.279 362 G HA3 0.422 4.420 3.960 0.065 0.000 0.279 362 G C 0.299 175.226 174.900 0.045 0.000 1.024 362 G CA -0.173 44.942 45.100 0.025 0.000 0.813 362 G HN 0.558 nan 8.290 nan 0.000 0.518 363 Y N 0.897 121.152 120.300 -0.075 0.000 2.620 363 Y HA 0.230 4.819 4.550 0.066 0.000 0.330 363 Y C 0.725 176.557 175.900 -0.112 0.000 1.186 363 Y CA -1.242 56.797 58.100 -0.102 0.000 1.467 363 Y CB 0.493 38.879 38.460 -0.123 0.000 1.262 363 Y HN 0.052 nan 8.280 nan 0.000 0.550 364 C N 8.047 126.981 119.300 -0.609 0.000 2.540 364 C HA 0.519 5.018 4.460 0.065 0.000 0.377 364 C C -0.579 174.058 174.990 -0.589 0.000 1.274 364 C CA -0.617 58.127 59.018 -0.457 0.000 1.718 364 C CB -2.243 25.335 27.740 -0.270 0.000 2.391 364 C HN 0.585 nan 8.230 nan 0.000 0.565 365 V N 8.700 128.418 119.914 -0.326 0.000 2.407 365 V HA 0.478 4.637 4.120 0.065 0.000 0.291 365 V C -0.088 175.908 176.094 -0.164 0.000 1.018 365 V CA -0.317 61.806 62.300 -0.294 0.000 0.842 365 V CB 1.304 32.905 31.823 -0.371 0.000 0.996 365 V HN 0.726 nan 8.190 nan 0.000 0.426 366 L N 4.245 125.452 121.223 -0.025 0.000 2.346 366 L HA 0.678 5.057 4.340 0.065 0.000 0.274 366 L C -0.419 176.524 176.870 0.122 0.000 1.007 366 L CA -0.551 54.302 54.840 0.021 0.000 0.818 366 L CB 2.155 44.232 42.059 0.029 0.000 1.284 366 L HN 0.610 nan 8.230 nan 0.000 0.424 367 Q N 2.613 122.434 119.800 0.035 0.000 2.333 367 Q HA 0.594 4.972 4.340 0.065 0.000 0.267 367 Q C -1.330 174.549 176.000 -0.202 0.000 1.012 367 Q CA -0.798 55.016 55.803 0.018 0.000 0.824 367 Q CB 2.244 31.031 28.738 0.082 0.000 1.290 367 Q HN 0.559 nan 8.270 nan 0.000 0.449 368 M N 3.646 123.015 119.600 -0.385 0.000 2.243 368 M HA 0.293 4.812 4.480 0.065 0.000 0.324 368 M C -1.393 174.622 176.300 -0.475 0.000 1.031 368 M CA -0.581 54.335 55.300 -0.641 0.000 0.949 368 M CB 1.606 33.385 32.600 -1.368 0.000 1.615 368 M HN 0.526 nan 8.290 nan 0.000 0.430 369 D N 6.355 126.576 120.400 -0.298 0.000 2.382 369 D HA 0.172 4.851 4.640 0.065 0.000 0.259 369 D C -1.839 174.469 176.300 0.014 0.000 1.224 369 D CA -1.471 52.468 54.000 -0.103 0.000 0.894 369 D CB 1.321 42.094 40.800 -0.044 0.000 1.127 369 D HN 0.403 nan 8.370 nan 0.000 0.487 370 P HA -0.025 nan 4.420 nan 0.000 0.230 370 P C 0.562 177.998 177.300 0.227 0.000 1.158 370 P CA 0.503 63.792 63.100 0.314 0.000 0.769 370 P CB 0.340 32.190 31.700 0.249 0.000 0.807 371 N N -1.408 117.383 118.700 0.152 0.000 2.422 371 N HA -0.064 4.715 4.740 0.065 0.000 0.181 371 N C 0.464 176.050 175.510 0.126 0.000 1.080 371 N CA 0.032 53.150 53.050 0.113 0.000 0.893 371 N CB -0.397 38.133 38.487 0.071 0.000 0.973 371 N HN 0.284 nan 8.380 nan 0.000 0.456 372 Y N 2.485 122.810 120.300 0.042 0.000 2.511 372 Y HA 0.038 4.627 4.550 0.065 0.000 0.332 372 Y C -0.150 175.781 175.900 0.052 0.000 1.177 372 Y CA 0.211 58.326 58.100 0.026 0.000 1.422 372 Y CB 0.535 38.988 38.460 -0.012 0.000 1.271 372 Y HN -0.134 nan 8.280 nan 0.000 0.550 373 E N 7.863 127.601 120.200 -0.770 0.000 2.263 373 E HA 0.292 4.681 4.350 0.065 0.000 0.268 373 E C -2.685 173.420 176.600 -0.826 0.000 0.884 373 E CA -2.020 54.027 56.400 -0.588 0.000 0.766 373 E CB 1.760 31.311 29.700 -0.249 0.000 1.196 373 E HN 0.537 nan 8.360 nan 0.000 0.416 374 P HA 0.211 nan 4.420 nan 0.000 0.277 374 P C -0.381 176.840 177.300 -0.131 0.000 1.240 374 P CA -0.490 62.451 63.100 -0.264 0.000 0.798 374 P CB 1.032 32.736 31.700 0.007 0.000 0.979 375 D N 1.148 121.513 120.400 -0.058 0.000 2.390 375 D HA -0.036 4.643 4.640 0.065 0.000 0.236 375 D C 1.088 177.382 176.300 -0.009 0.000 1.189 375 D CA 0.218 54.202 54.000 -0.027 0.000 0.887 375 D CB 0.372 41.174 40.800 0.004 0.000 1.198 375 D HN 0.329 nan 8.370 nan 0.000 0.444 376 D N 0.010 120.406 120.400 -0.007 0.000 2.149 376 D HA -0.067 4.612 4.640 0.065 0.000 0.201 376 D C 0.178 176.488 176.300 0.016 0.000 0.972 376 D CA 0.891 54.892 54.000 0.002 0.000 0.835 376 D CB 0.139 40.937 40.800 -0.003 0.000 0.966 376 D HN 0.266 nan 8.370 nan 0.000 0.476 377 N N 1.171 119.882 118.700 0.018 0.000 2.509 377 N HA 0.218 4.997 4.740 0.065 0.000 0.287 377 N C -0.399 175.131 175.510 0.033 0.000 1.121 377 N CA 0.082 53.147 53.050 0.025 0.000 0.977 377 N CB 1.352 39.853 38.487 0.023 0.000 1.167 377 N HN 0.020 nan 8.380 nan 0.000 0.476 378 E N 1.053 121.277 120.200 0.039 0.000 2.246 378 E HA 0.475 4.864 4.350 0.065 0.000 0.266 378 E C -0.598 176.029 176.600 0.044 0.000 0.880 378 E CA -0.473 55.953 56.400 0.044 0.000 0.762 378 E CB 1.948 31.682 29.700 0.057 0.000 1.180 378 E HN 0.405 nan 8.360 nan 0.000 0.416 379 I N 3.204 123.799 120.570 0.041 0.000 2.493 379 I HA 0.484 4.693 4.170 0.065 0.000 0.298 379 I C -0.183 175.964 176.117 0.049 0.000 0.998 379 I CA -0.831 60.497 61.300 0.045 0.000 1.137 379 I CB 1.569 39.596 38.000 0.046 0.000 1.310 379 I HN 0.398 nan 8.210 nan 0.000 0.445 380 R N 2.545 123.078 120.500 0.055 0.000 2.744 380 R HA 0.670 5.049 4.340 0.065 0.000 0.279 380 R C -1.447 174.891 176.300 0.063 0.000 0.977 380 R CA -0.666 55.471 56.100 0.063 0.000 0.906 380 R CB 1.735 32.075 30.300 0.066 0.000 1.197 380 R HN 0.395 nan 8.270 nan 0.000 0.463 381 T N 3.528 118.123 114.554 0.069 0.000 2.749 381 T HA 0.352 4.741 4.350 0.065 0.000 0.287 381 T C -1.108 173.636 174.700 0.073 0.000 0.970 381 T CA -0.489 61.651 62.100 0.066 0.000 0.980 381 T CB 0.842 69.749 68.868 0.065 0.000 0.924 381 T HN 0.362 nan 8.240 nan 0.000 0.456 382 L N 5.384 126.654 121.223 0.079 0.000 2.372 382 L HA 0.441 4.820 4.340 0.065 0.000 0.274 382 L C -0.449 176.523 176.870 0.170 0.000 0.988 382 L CA -0.928 53.974 54.840 0.103 0.000 0.833 382 L CB 0.346 42.453 42.059 0.079 0.000 1.236 382 L HN 0.736 nan 8.230 nan 0.000 0.410 383 Y N 5.593 125.898 120.300 0.010 0.000 3.305 383 Y HA -0.168 4.421 4.550 0.065 0.000 0.212 383 Y C 1.328 177.235 175.900 0.012 0.000 1.248 383 Y CA 1.484 59.588 58.100 0.008 0.000 1.359 383 Y CB -1.066 37.396 38.460 0.003 0.000 1.407 383 Y HN 1.107 nan 8.280 nan 0.000 0.572 384 G N -0.648 108.143 108.800 -0.015 0.000 2.184 384 G HA2 -0.315 3.684 3.960 0.065 0.000 0.264 384 G HA3 -0.315 3.684 3.960 0.065 0.000 0.264 384 G C 0.272 175.156 174.900 -0.027 0.000 0.975 384 G CA 0.355 45.416 45.100 -0.066 0.000 0.642 384 G HN 0.681 nan 8.290 nan 0.000 0.536 385 L N -0.673 120.558 121.223 0.013 0.000 2.358 385 L HA 0.748 5.127 4.340 0.065 0.000 0.268 385 L C 0.256 177.151 176.870 0.042 0.000 1.032 385 L CA -1.166 53.690 54.840 0.027 0.000 0.805 385 L CB 1.311 43.395 42.059 0.041 0.000 1.253 385 L HN -0.021 nan 8.230 nan 0.000 0.452 386 Q N 1.651 121.474 119.800 0.039 0.000 2.307 386 Q HA 0.580 4.959 4.340 0.065 0.000 0.262 386 Q C -1.153 174.873 176.000 0.044 0.000 0.961 386 Q CA 0.025 55.855 55.803 0.044 0.000 0.882 386 Q CB 1.935 30.699 28.738 0.042 0.000 1.264 386 Q HN 0.387 nan 8.270 nan 0.000 0.446 387 L N 3.037 124.289 121.223 0.047 0.000 2.296 387 L HA 0.601 4.979 4.340 0.065 0.000 0.286 387 L C -0.570 176.327 176.870 0.046 0.000 1.023 387 L CA -0.495 54.373 54.840 0.046 0.000 0.812 387 L CB 1.221 43.309 42.059 0.048 0.000 1.223 387 L HN 0.530 nan 8.230 nan 0.000 0.421 388 M N 4.831 124.456 119.600 0.042 0.000 2.465 388 M HA 0.510 5.029 4.480 0.065 0.000 0.316 388 M C -1.376 174.948 176.300 0.040 0.000 1.121 388 M CA -0.236 55.088 55.300 0.040 0.000 0.934 388 M CB 2.047 34.668 32.600 0.036 0.000 1.692 388 M HN 0.708 nan 8.290 nan 0.000 0.444 389 Q N 2.251 122.076 119.800 0.041 0.000 2.575 389 Q HA 0.440 4.819 4.340 0.065 0.000 0.290 389 Q C -1.746 174.276 176.000 0.036 0.000 0.963 389 Q CA -1.281 54.545 55.803 0.039 0.000 0.783 389 Q CB 1.680 30.447 28.738 0.048 0.000 1.467 389 Q HN 0.690 nan 8.270 nan 0.000 0.402 390 K N 1.362 121.780 120.400 0.030 0.000 2.326 390 K HA 0.187 4.546 4.320 0.065 0.000 0.275 390 K C -0.119 176.501 176.600 0.034 0.000 1.018 390 K CA -0.489 55.813 56.287 0.026 0.000 0.962 390 K CB 0.736 33.246 32.500 0.016 0.000 0.953 390 K HN 0.703 nan 8.250 nan 0.000 0.475 391 R N 2.264 122.786 120.500 0.038 0.000 2.726 391 R HA 0.065 4.444 4.340 0.065 0.000 0.272 391 R C -0.219 176.105 176.300 0.039 0.000 1.097 391 R CA -0.657 55.474 56.100 0.053 0.000 1.198 391 R CB 0.173 30.511 30.300 0.064 0.000 1.114 391 R HN 0.479 nan 8.270 nan 0.000 0.550 392 N N 1.443 120.169 118.700 0.044 0.000 2.448 392 N HA -0.025 4.754 4.740 0.065 0.000 0.250 392 N C -0.780 174.732 175.510 0.003 0.000 1.136 392 N CA -0.400 52.654 53.050 0.006 0.000 0.953 392 N CB 0.214 38.687 38.487 -0.023 0.000 1.251 392 N HN 0.722 nan 8.380 nan 0.000 0.502 393 N N 1.879 120.578 118.700 -0.001 0.000 2.273 393 N HA 0.076 4.855 4.740 0.065 0.000 0.231 393 N C -0.289 175.209 175.510 -0.019 0.000 1.134 393 N CA -0.485 52.567 53.050 0.004 0.000 0.856 393 N CB -0.021 38.469 38.487 0.005 0.000 1.068 393 N HN 0.281 nan 8.380 nan 0.000 0.510 394 A N 0.751 123.547 122.820 -0.040 0.000 2.545 394 A HA 0.282 4.641 4.320 0.065 0.000 0.253 394 A C 0.265 177.813 177.584 -0.059 0.000 1.074 394 A CA -0.246 51.757 52.037 -0.057 0.000 0.760 394 A CB 0.059 19.014 19.000 -0.076 0.000 1.005 394 A HN 0.142 nan 8.150 nan 0.000 0.506 395 V N 4.747 124.625 119.914 -0.061 0.000 2.555 395 V HA 0.115 4.274 4.120 0.065 0.000 0.286 395 V C 0.250 176.288 176.094 -0.092 0.000 1.044 395 V CA -0.168 62.093 62.300 -0.064 0.000 1.026 395 V CB 0.934 32.718 31.823 -0.065 0.000 0.981 395 V HN 0.640 nan 8.190 nan 0.000 0.480 396 I N 6.013 126.533 120.570 -0.083 0.000 2.330 396 I HA 0.474 4.683 4.170 0.065 0.000 0.286 396 I C -0.157 175.887 176.117 -0.123 0.000 1.025 396 I CA -0.233 60.999 61.300 -0.114 0.000 1.197 396 I CB 0.776 38.739 38.000 -0.063 0.000 1.358 396 I HN 0.867 nan 8.210 nan 0.000 0.467 397 D N 5.009 125.288 120.400 -0.201 0.000 2.895 397 D HA 0.333 5.011 4.640 0.065 0.000 0.320 397 D C 0.722 176.839 176.300 -0.305 0.000 1.249 397 D CA -0.677 53.218 54.000 -0.175 0.000 0.997 397 D CB 0.746 41.480 40.800 -0.111 0.000 1.430 397 D HN 0.144 nan 8.370 nan 0.000 0.558 398 R N -0.289 120.107 120.500 -0.173 0.000 2.159 398 R HA -0.057 4.322 4.340 0.065 0.000 0.237 398 R C 1.901 178.053 176.300 -0.246 0.000 1.131 398 R CA 1.778 57.794 56.100 -0.141 0.000 0.982 398 R CB -0.502 29.791 30.300 -0.012 0.000 0.868 398 R HN 0.578 nan 8.270 nan 0.000 0.453 399 S N 0.651 116.215 115.700 -0.226 0.000 2.507 399 S HA -0.064 4.444 4.470 0.065 0.000 0.235 399 S C 1.807 176.247 174.600 -0.268 0.000 0.988 399 S CA 0.501 58.591 58.200 -0.184 0.000 0.944 399 S CB -0.092 63.033 63.200 -0.124 0.000 0.762 399 S HN 0.164 nan 8.310 nan 0.000 0.526 400 L N 0.502 121.417 121.223 -0.513 0.000 2.362 400 L HA 0.248 4.627 4.340 0.065 0.000 0.219 400 L C 0.791 177.419 176.870 -0.404 0.000 1.134 400 L CA 1.290 55.806 54.840 -0.540 0.000 0.807 400 L CB -0.766 40.847 42.059 -0.743 0.000 0.927 400 L HN 0.341 nan 8.230 nan 0.000 0.447 401 F N -1.667 118.267 119.950 -0.027 0.000 2.641 401 F HA 0.221 4.787 4.527 0.065 0.000 0.302 401 F C 1.839 177.627 175.800 -0.020 0.000 1.098 401 F CA -0.416 57.569 58.000 -0.025 0.000 1.318 401 F CB -0.862 38.117 39.000 -0.036 0.000 1.035 401 F HN -0.044 nan 8.300 nan 0.000 0.551 402 K N 0.385 120.832 120.400 0.078 0.000 2.063 402 K HA -0.197 4.162 4.320 0.065 0.000 0.208 402 K C 0.870 177.503 176.600 0.055 0.000 1.048 402 K CA 1.313 57.630 56.287 0.051 0.000 0.928 402 K CB -0.231 32.274 32.500 0.008 0.000 0.713 402 K HN 0.029 nan 8.250 nan 0.000 0.442 403 N N 1.543 120.279 118.700 0.059 0.000 3.050 403 N HA 0.079 4.858 4.740 0.065 0.000 0.289 403 N C -1.113 174.433 175.510 0.060 0.000 1.209 403 N CA 0.034 53.117 53.050 0.055 0.000 1.154 403 N CB -0.226 38.295 38.487 0.056 0.000 1.444 403 N HN 0.046 nan 8.380 nan 0.000 0.529 404 I N 2.159 122.756 120.570 0.044 0.000 2.337 404 I HA 0.009 4.218 4.170 0.065 0.000 0.291 404 I C 1.382 177.497 176.117 -0.003 0.000 1.046 404 I CA -0.500 60.812 61.300 0.020 0.000 1.324 404 I CB 1.140 39.154 38.000 0.022 0.000 1.409 404 I HN 0.236 nan 8.210 nan 0.000 0.494 405 V N 1.477 121.365 119.914 -0.043 0.000 3.650 405 V HA 0.069 4.228 4.120 0.065 0.000 0.271 405 V C 0.967 177.030 176.094 -0.052 0.000 1.281 405 V CA 0.038 62.308 62.300 -0.049 0.000 1.120 405 V CB -0.859 30.912 31.823 -0.087 0.000 0.856 405 V HN 0.766 nan 8.190 nan 0.000 0.443 406 T N -1.825 112.698 114.554 -0.052 0.000 2.874 406 T HA 0.369 4.758 4.350 0.065 0.000 0.281 406 T C 0.769 175.459 174.700 -0.017 0.000 0.994 406 T CA -0.401 61.677 62.100 -0.036 0.000 1.015 406 T CB 1.794 70.641 68.868 -0.036 0.000 1.028 406 T HN 0.210 nan 8.240 nan 0.000 0.523 407 K N 0.168 120.560 120.400 -0.014 0.000 2.097 407 K HA -0.015 4.344 4.320 0.065 0.000 0.205 407 K C 0.908 177.506 176.600 -0.003 0.000 1.050 407 K CA 0.603 56.885 56.287 -0.007 0.000 0.938 407 K CB -0.153 32.343 32.500 -0.007 0.000 0.718 407 K HN 0.448 nan 8.250 nan 0.000 0.442 408 N N 1.288 119.986 118.700 -0.004 0.000 2.497 408 N HA 0.003 4.782 4.740 0.065 0.000 0.271 408 N C -0.201 175.317 175.510 0.014 0.000 1.142 408 N CA 0.379 53.431 53.050 0.005 0.000 0.965 408 N CB 1.026 39.515 38.487 0.004 0.000 1.077 408 N HN -0.168 nan 8.380 nan 0.000 0.462 409 K N 0.494 120.905 120.400 0.018 0.000 2.373 409 K HA 0.209 4.568 4.320 0.065 0.000 0.202 409 K C -0.391 176.225 176.600 0.027 0.000 1.025 409 K CA -0.021 56.278 56.287 0.020 0.000 1.115 409 K CB 0.232 32.739 32.500 0.013 0.000 0.858 409 K HN 0.464 nan 8.250 nan 0.000 0.525 410 T N 1.666 116.248 114.554 0.047 0.000 2.642 410 T HA -0.020 4.369 4.350 0.065 0.000 0.258 410 T C -0.640 174.106 174.700 0.078 0.000 1.022 410 T CA 0.585 62.728 62.100 0.072 0.000 1.266 410 T CB -0.125 68.811 68.868 0.113 0.000 0.987 410 T HN -0.069 nan 8.240 nan 0.000 0.518 411 L N 7.905 129.106 121.223 -0.037 0.000 2.514 411 L HA 0.414 4.793 4.340 0.065 0.000 0.257 411 L C -2.328 174.411 176.870 -0.218 0.000 1.101 411 L CA -2.022 52.700 54.840 -0.196 0.000 0.911 411 L CB 1.064 43.025 42.059 -0.164 0.000 1.162 411 L HN 0.338 nan 8.230 nan 0.000 0.477 412 P HA 0.253 nan 4.420 nan 0.000 0.272 412 P C 0.649 177.825 177.300 -0.207 0.000 1.240 412 P CA -0.322 62.667 63.100 -0.185 0.000 0.791 412 P CB 0.895 32.502 31.700 -0.155 0.000 0.978 413 E N 0.435 120.563 120.200 -0.121 0.000 2.130 413 E HA -0.174 4.214 4.350 0.065 0.000 0.196 413 E C 1.820 178.349 176.600 -0.119 0.000 0.998 413 E CA 1.986 58.329 56.400 -0.095 0.000 0.806 413 E CB -0.677 28.992 29.700 -0.050 0.000 0.738 413 E HN 0.601 nan 8.360 nan 0.000 0.459 414 S N 0.746 116.369 115.700 -0.128 0.000 2.382 414 S HA -0.077 4.432 4.470 0.065 0.000 0.228 414 S C 2.196 176.674 174.600 -0.204 0.000 1.027 414 S CA 1.199 59.328 58.200 -0.119 0.000 0.991 414 S CB -0.193 62.963 63.200 -0.074 0.000 0.823 414 S HN 0.279 nan 8.310 nan 0.000 0.469 415 A N 1.252 123.832 122.820 -0.400 0.000 1.970 415 A HA 0.230 4.588 4.320 0.065 0.000 0.216 415 A C 2.348 179.653 177.584 -0.465 0.000 1.170 415 A CA 1.050 52.719 52.037 -0.612 0.000 0.645 415 A CB -0.878 17.203 19.000 -1.531 0.000 0.816 415 A HN 0.409 nan 8.150 nan 0.000 0.447 416 V N 0.464 120.166 119.914 -0.354 0.000 2.287 416 V HA -0.291 3.868 4.120 0.065 0.000 0.248 416 V C 2.671 178.731 176.094 -0.056 0.000 1.053 416 V CA 2.390 64.571 62.300 -0.198 0.000 1.027 416 V CB -0.802 31.001 31.823 -0.034 0.000 0.646 416 V HN 0.708 nan 8.190 nan 0.000 0.447 417 R N 0.105 120.565 120.500 -0.066 0.000 2.070 417 R HA -0.199 4.180 4.340 0.065 0.000 0.233 417 R C 2.022 178.311 176.300 -0.019 0.000 1.137 417 R CA 2.291 58.380 56.100 -0.018 0.000 0.945 417 R CB -0.428 29.858 30.300 -0.024 0.000 0.845 417 R HN 0.491 nan 8.270 nan 0.000 0.430 418 D N 0.589 120.950 120.400 -0.066 0.000 2.144 418 D HA -0.115 4.564 4.640 0.065 0.000 0.200 418 D C 2.034 178.312 176.300 -0.037 0.000 0.978 418 D CA 0.947 54.920 54.000 -0.046 0.000 0.833 418 D CB -0.133 40.638 40.800 -0.049 0.000 0.961 418 D HN 0.271 nan 8.370 nan 0.000 0.470 419 L N 0.243 121.407 121.223 -0.099 0.000 2.141 419 L HA -0.086 4.293 4.340 0.065 0.000 0.209 419 L C 2.375 179.338 176.870 0.154 0.000 1.094 419 L CA 0.590 55.390 54.840 -0.068 0.000 0.763 419 L CB -0.164 41.633 42.059 -0.436 0.000 0.908 419 L HN 0.006 nan 8.230 nan 0.000 0.437 420 I N -1.312 119.381 120.570 0.206 0.000 2.286 420 I HA -0.230 3.979 4.170 0.065 0.000 0.245 420 I C 2.379 178.555 176.117 0.097 0.000 1.104 420 I CA 0.822 62.239 61.300 0.194 0.000 1.397 420 I CB -0.171 37.921 38.000 0.153 0.000 1.072 420 I HN -0.029 nan 8.210 nan 0.000 0.417 421 V N 1.070 121.023 119.914 0.065 0.000 2.287 421 V HA -0.321 3.838 4.120 0.065 0.000 0.248 421 V C 2.689 178.815 176.094 0.052 0.000 1.053 421 V CA 2.126 64.455 62.300 0.049 0.000 1.027 421 V CB -1.064 30.776 31.823 0.029 0.000 0.646 421 V HN 0.505 nan 8.190 nan 0.000 0.447 422 A N -0.611 122.234 122.820 0.042 0.000 1.930 422 A HA -0.175 4.184 4.320 0.065 0.000 0.217 422 A C 2.458 180.068 177.584 0.044 0.000 1.175 422 A CA 2.118 54.176 52.037 0.036 0.000 0.627 422 A CB -0.551 18.458 19.000 0.015 0.000 0.815 422 A HN 0.516 nan 8.150 nan 0.000 0.443 423 S N -0.303 115.434 115.700 0.061 0.000 2.387 423 S HA -0.018 4.491 4.470 0.065 0.000 0.226 423 S C 1.761 176.375 174.600 0.023 0.000 1.026 423 S CA 1.214 59.440 58.200 0.043 0.000 0.972 423 S CB -0.387 62.855 63.200 0.069 0.000 0.814 423 S HN 0.547 nan 8.310 nan 0.000 0.477 424 I N 1.705 122.308 120.570 0.054 0.000 2.315 424 I HA -0.163 4.046 4.170 0.065 0.000 0.248 424 I C 2.657 178.867 176.117 0.156 0.000 1.117 424 I CA 0.901 62.258 61.300 0.096 0.000 1.404 424 I CB -0.436 37.633 38.000 0.116 0.000 1.071 424 I HN 0.250 nan 8.210 nan 0.000 0.419 425 A N 0.444 123.339 122.820 0.125 0.000 1.883 425 A HA -0.177 4.182 4.320 0.065 0.000 0.217 425 A C 2.457 180.099 177.584 0.096 0.000 1.186 425 A CA 1.815 53.935 52.037 0.138 0.000 0.624 425 A CB -1.052 18.004 19.000 0.093 0.000 0.822 425 A HN 0.220 nan 8.150 nan 0.000 0.444 426 V N 0.353 120.293 119.914 0.044 0.000 2.332 426 V HA -0.288 3.871 4.120 0.065 0.000 0.248 426 V C 2.579 178.638 176.094 -0.059 0.000 1.055 426 V CA 2.460 64.766 62.300 0.009 0.000 1.038 426 V CB -0.605 31.218 31.823 0.001 0.000 0.651 426 V HN 0.734 nan 8.190 nan 0.000 0.450 427 K N -0.756 119.556 120.400 -0.145 0.000 2.152 427 K HA -0.197 4.162 4.320 0.065 0.000 0.206 427 K C 1.289 177.453 176.600 -0.726 0.000 1.048 427 K CA 1.823 57.863 56.287 -0.412 0.000 0.933 427 K CB -0.129 32.054 32.500 -0.528 0.000 0.721 427 K HN 0.573 nan 8.250 nan 0.000 0.447 428 Y N 0.313 120.524 120.300 -0.147 0.000 2.658 428 Y HA 0.216 4.805 4.550 0.065 0.000 0.276 428 Y C -0.292 175.622 175.900 0.023 0.000 1.167 428 Y CA -0.257 57.714 58.100 -0.216 0.000 1.230 428 Y CB 0.854 39.341 38.460 0.045 0.000 1.144 428 Y HN -0.186 nan 8.280 nan 0.000 0.529 429 T N 1.792 116.411 114.554 0.109 0.000 2.794 429 T HA 0.215 4.604 4.350 0.065 0.000 0.280 429 T C -0.136 174.690 174.700 0.210 0.000 0.987 429 T CA -0.878 61.309 62.100 0.145 0.000 0.993 429 T CB 1.017 69.923 68.868 0.064 0.000 0.939 429 T HN -0.045 nan 8.240 nan 0.000 0.449 430 Q N 2.070 121.983 119.800 0.188 0.000 2.304 430 Q HA 0.135 4.514 4.340 0.065 0.000 0.301 430 Q C 0.329 176.311 176.000 -0.030 0.000 1.063 430 Q CA 0.344 56.182 55.803 0.058 0.000 0.947 430 Q CB 0.321 29.105 28.738 0.077 0.000 1.201 430 Q HN 0.596 nan 8.270 nan 0.000 0.389 431 S N 2.235 117.784 115.700 -0.251 0.000 2.617 431 S HA 0.182 4.691 4.470 0.065 0.000 0.269 431 S C 0.505 175.083 174.600 -0.036 0.000 1.292 431 S CA -0.797 57.274 58.200 -0.216 0.000 1.010 431 S CB 0.494 63.388 63.200 -0.510 0.000 0.944 431 S HN 0.699 nan 8.310 nan 0.000 0.536 432 N N 0.131 118.802 118.700 -0.049 0.000 2.408 432 N HA 0.474 5.253 4.740 0.065 0.000 0.260 432 N C -0.786 174.746 175.510 0.036 0.000 1.242 432 N CA -0.523 52.503 53.050 -0.039 0.000 0.959 432 N CB 0.507 38.987 38.487 -0.012 0.000 1.201 432 N HN 0.584 nan 8.380 nan 0.000 0.511 433 S N -1.833 113.912 115.700 0.075 0.000 2.537 433 S HA 0.658 5.167 4.470 0.065 0.000 0.271 433 S C -1.472 173.181 174.600 0.088 0.000 1.148 433 S CA -0.904 57.344 58.200 0.080 0.000 0.868 433 S CB 0.850 64.088 63.200 0.063 0.000 1.115 433 S HN 0.489 nan 8.310 nan 0.000 0.461 434 V N 0.808 120.783 119.914 0.102 0.000 2.841 434 V HA 0.746 4.905 4.120 0.065 0.000 0.310 434 V C -0.767 175.385 176.094 0.098 0.000 1.090 434 V CA -0.656 61.700 62.300 0.094 0.000 0.930 434 V CB 1.715 33.626 31.823 0.146 0.000 1.014 434 V HN 1.273 nan 8.190 nan 0.000 0.425 435 C N 4.897 124.219 119.300 0.038 0.000 2.482 435 C HA 0.771 5.270 4.460 0.065 0.000 0.317 435 C C -1.163 173.832 174.990 0.007 0.000 1.197 435 C CA -0.602 58.461 59.018 0.075 0.000 1.432 435 C CB 0.599 28.372 27.740 0.054 0.000 2.062 435 C HN 0.780 nan 8.230 nan 0.000 0.471 436 Y N 3.504 123.806 120.300 0.003 0.000 2.342 436 Y HA 0.669 5.257 4.550 0.064 0.000 0.334 436 Y C 0.613 176.463 175.900 -0.082 0.000 1.067 436 Y CA -0.062 58.022 58.100 -0.026 0.000 1.128 436 Y CB 1.529 39.971 38.460 -0.030 0.000 1.200 436 Y HN 0.944 nan 8.280 nan 0.000 0.464 437 A N 3.628 126.474 122.820 0.043 0.000 2.498 437 A HA 0.863 5.222 4.320 0.065 0.000 0.298 437 A C -1.243 176.299 177.584 -0.070 0.000 1.075 437 A CA -0.843 51.165 52.037 -0.048 0.000 0.714 437 A CB 2.184 21.170 19.000 -0.024 0.000 1.299 437 A HN 0.658 nan 8.150 nan 0.000 0.407 438 K N 0.970 121.291 120.400 -0.130 0.000 2.578 438 K HA 0.362 4.721 4.320 0.065 0.000 0.269 438 K C -1.408 175.168 176.600 -0.040 0.000 0.941 438 K CA -0.428 55.809 56.287 -0.084 0.000 0.847 438 K CB 1.305 33.732 32.500 -0.122 0.000 1.397 438 K HN 0.697 nan 8.250 nan 0.000 0.422 439 D N 1.883 122.301 120.400 0.031 0.000 2.708 439 D HA -0.182 4.497 4.640 0.065 0.000 0.236 439 D C 0.535 176.870 176.300 0.059 0.000 1.146 439 D CA 2.042 56.089 54.000 0.077 0.000 0.662 439 D CB -1.249 39.653 40.800 0.170 0.000 1.059 439 D HN 1.056 nan 8.370 nan 0.000 0.428 440 G N 0.051 108.866 108.800 0.024 0.000 2.179 440 G HA2 -0.305 3.694 3.960 0.065 0.000 0.257 440 G HA3 -0.305 3.694 3.960 0.065 0.000 0.257 440 G C 0.134 175.045 174.900 0.020 0.000 1.010 440 G CA 1.176 46.291 45.100 0.024 0.000 0.736 440 G HN 0.842 nan 8.290 nan 0.000 0.513 441 Q N -1.678 118.114 119.800 -0.013 0.000 2.462 441 Q HA 0.701 5.080 4.340 0.065 0.000 0.285 441 Q C -0.542 175.397 176.000 -0.102 0.000 1.035 441 Q CA -1.188 54.596 55.803 -0.033 0.000 0.799 441 Q CB 1.846 30.577 28.738 -0.012 0.000 1.452 441 Q HN 0.372 nan 8.270 nan 0.000 0.404 442 V N 3.201 123.072 119.914 -0.072 0.000 2.585 442 V HA 0.032 4.191 4.120 0.065 0.000 0.296 442 V C 1.024 176.977 176.094 -0.235 0.000 1.035 442 V CA 0.563 62.812 62.300 -0.086 0.000 1.084 442 V CB 0.191 32.006 31.823 -0.014 0.000 0.953 442 V HN 0.835 nan 8.190 nan 0.000 0.483 443 I N 1.585 121.972 120.570 -0.305 0.000 4.288 443 I HA 0.657 4.866 4.170 0.065 0.000 0.331 443 I C 0.770 176.787 176.117 -0.166 0.000 1.322 443 I CA 0.246 61.209 61.300 -0.563 0.000 1.149 443 I CB 0.834 38.210 38.000 -1.040 0.000 1.112 443 I HN 0.619 nan 8.210 nan 0.000 0.403 444 G N 2.180 110.965 108.800 -0.025 0.000 2.715 444 G HA2 0.617 4.616 3.960 0.065 0.000 0.297 444 G HA3 0.617 4.616 3.960 0.065 0.000 0.297 444 G C -1.876 173.118 174.900 0.156 0.000 1.386 444 G CA -0.316 44.814 45.100 0.050 0.000 1.157 444 G HN 0.154 nan 8.290 nan 0.000 0.585 445 I N 1.590 122.235 120.570 0.124 0.000 2.656 445 I HA 0.769 4.978 4.170 0.065 0.000 0.292 445 I C 0.092 176.278 176.117 0.115 0.000 1.144 445 I CA -0.817 60.561 61.300 0.129 0.000 1.038 445 I CB 2.239 40.287 38.000 0.081 0.000 1.244 445 I HN 0.686 nan 8.210 nan 0.000 0.420 446 G N 5.018 113.892 108.800 0.124 0.000 2.452 446 G HA2 0.835 4.834 3.960 0.065 0.000 0.324 446 G HA3 0.835 4.834 3.960 0.065 0.000 0.324 446 G C -1.587 173.364 174.900 0.084 0.000 1.214 446 G CA -0.472 44.693 45.100 0.108 0.000 0.947 446 G HN 0.841 nan 8.290 nan 0.000 0.478 447 A N 0.203 123.064 122.820 0.070 0.000 2.486 447 A HA 0.807 5.166 4.320 0.065 0.000 0.300 447 A C 0.721 178.336 177.584 0.052 0.000 1.048 447 A CA 0.237 52.308 52.037 0.057 0.000 0.696 447 A CB 1.304 20.333 19.000 0.049 0.000 1.278 447 A HN 2.541 nan 8.150 nan 0.000 0.405 448 G N 0.588 109.417 108.800 0.048 0.000 2.179 448 G HA2 -0.196 3.803 3.960 0.065 0.000 0.257 448 G HA3 -0.196 3.803 3.960 0.065 0.000 0.257 448 G C 0.161 175.082 174.900 0.036 0.000 1.010 448 G CA 0.644 45.775 45.100 0.050 0.000 0.736 448 G HN 0.816 nan 8.290 nan 0.000 0.513 449 Q N -0.870 118.952 119.800 0.037 0.000 2.249 449 Q HA 0.513 4.892 4.340 0.065 0.000 0.226 449 Q C 1.261 177.270 176.000 0.016 0.000 0.983 449 Q CA -0.074 55.750 55.803 0.035 0.000 0.930 449 Q CB 0.520 29.299 28.738 0.068 0.000 1.193 449 Q HN 0.633 nan 8.270 nan 0.000 0.508 450 Q N -0.507 119.300 119.800 0.013 0.000 2.164 450 Q HA 0.208 4.587 4.340 0.065 0.000 0.226 450 Q C -0.256 175.758 176.000 0.024 0.000 0.813 450 Q CA -0.078 55.722 55.803 -0.005 0.000 0.978 450 Q CB 1.300 30.021 28.738 -0.028 0.000 1.149 450 Q HN 0.456 nan 8.270 nan 0.000 0.489 451 S N -0.293 115.453 115.700 0.076 0.000 2.575 451 S HA 0.420 4.929 4.470 0.065 0.000 0.278 451 S C 0.012 174.718 174.600 0.177 0.000 1.139 451 S CA -0.636 57.654 58.200 0.149 0.000 0.954 451 S CB 1.953 65.300 63.200 0.245 0.000 1.054 451 S HN 0.142 nan 8.310 nan 0.000 0.483 452 R N 3.062 123.655 120.500 0.154 0.000 2.082 452 R HA -0.008 4.371 4.340 0.065 0.000 0.234 452 R C 1.929 178.322 176.300 0.156 0.000 1.136 452 R CA 2.363 58.562 56.100 0.165 0.000 0.935 452 R CB -1.109 29.299 30.300 0.180 0.000 0.842 452 R HN 0.758 nan 8.270 nan 0.000 0.430 453 I N 0.472 121.109 120.570 0.111 0.000 2.264 453 I HA -0.239 3.970 4.170 0.065 0.000 0.248 453 I C 1.529 177.620 176.117 -0.044 0.000 1.111 453 I CA 1.836 63.134 61.300 -0.004 0.000 1.382 453 I CB -0.567 37.394 38.000 -0.064 0.000 1.060 453 I HN 0.324 nan 8.210 nan 0.000 0.418 454 H N -1.590 117.523 119.070 0.071 0.000 2.421 454 H HA -0.171 4.424 4.556 0.065 0.000 0.298 454 H C 2.448 177.821 175.328 0.074 0.000 1.087 454 H CA 1.876 57.961 56.048 0.063 0.000 1.330 454 H CB -0.444 29.349 29.762 0.051 0.000 1.388 454 H HN 0.487 nan 8.280 nan 0.000 0.526 455 C N -0.145 119.268 119.300 0.188 0.000 2.486 455 C HA -0.095 4.404 4.460 0.065 0.000 0.279 455 C C 2.732 177.826 174.990 0.172 0.000 1.302 455 C CA 1.284 60.399 59.018 0.162 0.000 1.720 455 C CB -0.853 26.977 27.740 0.149 0.000 2.030 455 C HN 0.561 nan 8.230 nan 0.000 0.490 456 T N 0.529 115.181 114.554 0.162 0.000 2.684 456 T HA -0.180 4.209 4.350 0.065 0.000 0.267 456 T C 1.973 176.788 174.700 0.192 0.000 1.036 456 T CA 1.590 63.798 62.100 0.180 0.000 1.148 456 T CB -0.289 68.612 68.868 0.056 0.000 0.863 456 T HN 0.593 nan 8.240 nan 0.000 0.436 457 R N 0.294 120.851 120.500 0.096 0.000 2.081 457 R HA 0.056 4.435 4.340 0.065 0.000 0.235 457 R C 2.552 178.897 176.300 0.075 0.000 1.131 457 R CA 1.073 57.211 56.100 0.062 0.000 0.960 457 R CB -0.556 29.748 30.300 0.006 0.000 0.856 457 R HN 0.351 nan 8.270 nan 0.000 0.436 458 L N 0.290 121.574 121.223 0.101 0.000 2.046 458 L HA -0.109 4.270 4.340 0.065 0.000 0.208 458 L C 2.279 179.200 176.870 0.085 0.000 1.077 458 L CA 1.613 56.508 54.840 0.092 0.000 0.747 458 L CB -0.288 41.835 42.059 0.108 0.000 0.896 458 L HN 0.173 nan 8.230 nan 0.000 0.432 459 A N -0.312 122.592 122.820 0.140 0.000 1.968 459 A HA -0.017 4.341 4.320 0.065 0.000 0.217 459 A C 2.252 179.775 177.584 -0.102 0.000 1.169 459 A CA 1.145 53.274 52.037 0.152 0.000 0.638 459 A CB -1.176 18.035 19.000 0.352 0.000 0.812 459 A HN 0.542 nan 8.150 nan 0.000 0.446 460 G N -0.179 108.528 108.800 -0.155 0.000 2.408 460 G HA2 -0.193 3.806 3.960 0.065 0.000 0.217 460 G HA3 -0.193 3.806 3.960 0.065 0.000 0.217 460 G C 1.067 175.804 174.900 -0.272 0.000 1.150 460 G CA 1.164 45.934 45.100 -0.549 0.000 0.776 460 G HN 0.438 nan 8.290 nan 0.000 0.542 461 D N 0.479 120.826 120.400 -0.089 0.000 2.183 461 D HA -0.001 4.677 4.640 0.065 0.000 0.203 461 D C 2.450 178.761 176.300 0.019 0.000 0.969 461 D CA 0.699 54.691 54.000 -0.014 0.000 0.842 461 D CB -0.060 40.752 40.800 0.020 0.000 0.957 461 D HN 0.277 nan 8.370 nan 0.000 0.484 462 K N 0.532 120.939 120.400 0.012 0.000 2.097 462 K HA 0.018 4.377 4.320 0.065 0.000 0.205 462 K C 2.058 178.722 176.600 0.107 0.000 1.050 462 K CA 1.021 57.350 56.287 0.071 0.000 0.938 462 K CB 0.002 32.546 32.500 0.073 0.000 0.718 462 K HN 0.007 nan 8.250 nan 0.000 0.442 463 A N 1.546 124.353 122.820 -0.021 0.000 1.969 463 A HA -0.184 4.175 4.320 0.065 0.000 0.218 463 A C 1.707 179.428 177.584 0.229 0.000 1.169 463 A CA 1.498 53.559 52.037 0.040 0.000 0.635 463 A CB -0.631 18.193 19.000 -0.294 0.000 0.810 463 A HN 0.344 nan 8.150 nan 0.000 0.445 464 N N -0.034 118.744 118.700 0.131 0.000 2.043 464 N HA -0.148 4.631 4.740 0.065 0.000 0.193 464 N C 1.966 177.667 175.510 0.318 0.000 1.037 464 N CA 1.568 54.754 53.050 0.227 0.000 0.851 464 N CB -0.138 38.428 38.487 0.132 0.000 1.027 464 N HN 0.441 nan 8.380 nan 0.000 0.422 465 S N 0.254 116.104 115.700 0.250 0.000 2.359 465 S HA -0.187 4.321 4.470 0.065 0.000 0.224 465 S C 1.428 176.228 174.600 0.334 0.000 1.035 465 S CA 1.070 59.417 58.200 0.244 0.000 1.018 465 S CB -0.490 62.827 63.200 0.195 0.000 0.876 465 S HN 0.527 nan 8.310 nan 0.000 0.448 466 W N 1.391 122.832 121.300 0.236 0.000 2.338 466 W HA -0.139 4.559 4.660 0.065 0.000 0.304 466 W C 2.180 179.010 176.519 0.518 0.000 1.212 466 W CA 1.326 58.859 57.345 0.313 0.000 1.264 466 W CB -0.457 29.167 29.460 0.272 0.000 1.142 466 W HN 0.405 nan 8.180 nan 0.000 0.512 467 W N 0.548 122.076 121.300 0.380 0.000 2.379 467 W HA -0.197 4.502 4.660 0.064 0.000 0.307 467 W C 1.851 178.620 176.519 0.416 0.000 1.200 467 W CA 1.320 58.782 57.345 0.196 0.000 1.297 467 W CB -0.606 29.024 29.460 0.283 0.000 1.140 467 W HN -0.156 nan 8.180 nan 0.000 0.507 468 L N 0.681 122.085 121.223 0.302 0.000 2.187 468 L HA -0.196 4.183 4.340 0.065 0.000 0.213 468 L C 2.486 179.309 176.870 -0.079 0.000 1.100 468 L CA 1.177 56.051 54.840 0.058 0.000 0.765 468 L CB -0.653 41.469 42.059 0.104 0.000 0.904 468 L HN -0.074 nan 8.230 nan 0.000 0.437 469 R N -1.210 119.286 120.500 -0.006 0.000 2.285 469 R HA -0.106 4.273 4.340 0.065 0.000 0.213 469 R C 1.455 177.596 176.300 -0.266 0.000 1.068 469 R CA 0.563 56.599 56.100 -0.105 0.000 1.004 469 R CB -0.126 30.113 30.300 -0.101 0.000 0.873 469 R HN 0.424 nan 8.270 nan 0.000 0.467 470 H N -1.728 117.121 119.070 -0.368 0.000 2.539 470 H HA 0.066 4.661 4.556 0.065 0.000 0.269 470 H C 0.166 175.205 175.328 -0.482 0.000 0.980 470 H CA 0.026 55.853 56.048 -0.369 0.000 1.152 470 H CB -0.011 29.480 29.762 -0.451 0.000 1.407 470 H HN 0.075 nan 8.280 nan 0.000 0.564 471 H N 1.773 120.364 119.070 -0.800 0.000 2.964 471 H HA -0.035 4.560 4.556 0.065 0.000 0.328 471 H C -1.568 173.365 175.328 -0.659 0.000 1.030 471 H CA -1.683 53.590 56.048 -1.292 0.000 1.445 471 H CB 1.296 30.343 29.762 -1.193 0.000 1.449 471 H HN 0.115 nan 8.280 nan 0.000 0.581 472 P HA -0.221 nan 4.420 nan 0.000 0.217 472 P C 1.554 178.787 177.300 -0.111 0.000 1.158 472 P CA 1.799 64.750 63.100 -0.248 0.000 0.887 472 P CB 0.060 31.612 31.700 -0.247 0.000 0.792 473 R N -0.499 120.035 120.500 0.056 0.000 2.152 473 R HA -0.089 4.290 4.340 0.065 0.000 0.232 473 R C 1.717 177.895 176.300 -0.204 0.000 1.117 473 R CA 1.064 57.115 56.100 -0.081 0.000 0.981 473 R CB -0.415 29.830 30.300 -0.092 0.000 0.870 473 R HN 0.084 nan 8.270 nan 0.000 0.451 474 V N 0.385 120.189 119.914 -0.182 0.000 2.500 474 V HA -0.128 4.031 4.120 0.065 0.000 0.243 474 V C 2.162 178.149 176.094 -0.178 0.000 1.039 474 V CA 1.052 63.226 62.300 -0.209 0.000 1.053 474 V CB -0.242 31.500 31.823 -0.135 0.000 0.695 474 V HN 0.296 nan 8.190 nan 0.000 0.463 475 L N 0.351 121.467 121.223 -0.179 0.000 2.127 475 L HA -0.149 4.230 4.340 0.065 0.000 0.211 475 L C 2.164 178.937 176.870 -0.161 0.000 1.089 475 L CA 1.599 56.337 54.840 -0.170 0.000 0.757 475 L CB -0.548 41.404 42.059 -0.179 0.000 0.899 475 L HN 0.338 nan 8.230 nan 0.000 0.434 476 S N -1.075 114.517 115.700 -0.180 0.000 2.575 476 S HA 0.186 4.695 4.470 0.065 0.000 0.215 476 S C 0.802 175.252 174.600 -0.251 0.000 0.966 476 S CA -0.097 57.990 58.200 -0.188 0.000 0.911 476 S CB -0.092 63.004 63.200 -0.173 0.000 0.780 476 S HN 0.223 nan 8.310 nan 0.000 0.514 477 M N 2.297 121.716 119.600 -0.301 0.000 2.248 477 M HA 0.022 4.541 4.480 0.065 0.000 0.343 477 M C 0.058 176.107 176.300 -0.419 0.000 1.243 477 M CA 0.904 55.884 55.300 -0.532 0.000 1.025 477 M CB 0.173 32.445 32.600 -0.547 0.000 1.759 477 M HN -0.057 nan 8.290 nan 0.000 0.452 478 K N 3.968 123.991 120.400 -0.628 0.000 2.404 478 K HA 0.402 4.760 4.320 0.065 0.000 0.257 478 K C -1.288 175.178 176.600 -0.222 0.000 1.026 478 K CA -0.255 55.845 56.287 -0.311 0.000 0.951 478 K CB 0.819 33.168 32.500 -0.251 0.000 1.203 478 K HN 0.358 nan 8.250 nan 0.000 0.446 479 F N 1.790 121.781 119.950 0.067 0.000 2.371 479 F HA 0.253 4.819 4.527 0.065 0.000 0.329 479 F C 1.094 176.921 175.800 0.044 0.000 1.107 479 F CA -0.464 57.629 58.000 0.156 0.000 1.137 479 F CB 0.840 39.888 39.000 0.081 0.000 1.214 479 F HN 0.124 nan 8.300 nan 0.000 0.536 480 K N 1.528 122.052 120.400 0.207 0.000 2.237 480 K HA 0.477 4.836 4.320 0.065 0.000 0.270 480 K C -0.006 176.645 176.600 0.085 0.000 1.015 480 K CA -0.593 55.750 56.287 0.094 0.000 0.949 480 K CB 0.806 33.331 32.500 0.043 0.000 0.976 480 K HN 0.720 nan 8.250 nan 0.000 0.472 481 A N 1.056 123.906 122.820 0.049 0.000 2.492 481 A HA 0.334 4.693 4.320 0.065 0.000 0.236 481 A C 1.269 178.866 177.584 0.021 0.000 1.078 481 A CA 0.834 52.890 52.037 0.032 0.000 0.773 481 A CB -0.537 18.474 19.000 0.019 0.000 1.023 481 A HN 0.954 nan 8.150 nan 0.000 0.504 482 G N -0.565 108.241 108.800 0.009 0.000 2.205 482 G HA2 -0.182 3.817 3.960 0.065 0.000 0.261 482 G HA3 -0.182 3.817 3.960 0.065 0.000 0.261 482 G C 0.239 175.135 174.900 -0.006 0.000 0.980 482 G CA 0.235 45.335 45.100 0.001 0.000 0.632 482 G HN 1.484 nan 8.290 nan 0.000 0.533 483 V N 2.455 122.366 119.914 -0.005 0.000 2.427 483 V HA 0.299 4.458 4.120 0.065 0.000 0.268 483 V C 1.010 177.061 176.094 -0.072 0.000 1.046 483 V CA -0.152 62.129 62.300 -0.032 0.000 0.970 483 V CB 1.025 32.846 31.823 -0.003 0.000 1.001 483 V HN 0.371 nan 8.190 nan 0.000 0.476 484 K N 4.573 124.937 120.400 -0.061 0.000 2.180 484 K HA 0.289 4.648 4.320 0.065 0.000 0.251 484 K C 1.206 177.751 176.600 -0.091 0.000 1.014 484 K CA -0.689 55.566 56.287 -0.053 0.000 0.913 484 K CB 0.695 33.187 32.500 -0.013 0.000 1.008 484 K HN 0.430 nan 8.250 nan 0.000 0.490 485 R N 0.866 121.326 120.500 -0.067 0.000 2.096 485 R HA -0.216 4.163 4.340 0.065 0.000 0.240 485 R C 2.115 178.384 176.300 -0.053 0.000 1.139 485 R CA 1.928 57.981 56.100 -0.078 0.000 0.952 485 R CB -0.958 29.323 30.300 -0.032 0.000 0.854 485 R HN 0.791 nan 8.270 nan 0.000 0.436 486 A N 1.471 124.307 122.820 0.026 0.000 1.972 486 A HA -0.186 4.173 4.320 0.065 0.000 0.219 486 A C 2.026 179.613 177.584 0.004 0.000 1.169 486 A CA 1.454 53.547 52.037 0.092 0.000 0.635 486 A CB -0.286 18.850 19.000 0.228 0.000 0.810 486 A HN 0.417 nan 8.150 nan 0.000 0.446 487 E N -0.382 119.789 120.200 -0.048 0.000 2.072 487 E HA -0.092 4.297 4.350 0.065 0.000 0.190 487 E C 1.968 178.478 176.600 -0.150 0.000 0.982 487 E CA 1.134 57.486 56.400 -0.081 0.000 0.803 487 E CB -0.287 29.362 29.700 -0.085 0.000 0.755 487 E HN 0.389 nan 8.360 nan 0.000 0.453 488 V N 1.310 121.037 119.914 -0.311 0.000 2.287 488 V HA -0.290 3.869 4.120 0.065 0.000 0.248 488 V C 2.298 178.276 176.094 -0.195 0.000 1.053 488 V CA 1.981 63.940 62.300 -0.569 0.000 1.027 488 V CB -0.578 30.784 31.823 -0.768 0.000 0.646 488 V HN 0.204 nan 8.190 nan 0.000 0.447 489 S N 0.572 116.216 115.700 -0.094 0.000 2.365 489 S HA -0.263 4.246 4.470 0.065 0.000 0.225 489 S C 1.736 176.371 174.600 0.059 0.000 1.039 489 S CA 2.251 60.458 58.200 0.011 0.000 1.033 489 S CB -0.665 62.565 63.200 0.050 0.000 0.887 489 S HN 0.787 nan 8.310 nan 0.000 0.447 490 N N 1.637 120.363 118.700 0.044 0.000 2.142 490 N HA 0.008 4.787 4.740 0.065 0.000 0.186 490 N C 1.980 177.590 175.510 0.168 0.000 1.023 490 N CA 0.892 53.989 53.050 0.079 0.000 0.852 490 N CB -0.281 38.229 38.487 0.039 0.000 0.998 490 N HN 0.394 nan 8.380 nan 0.000 0.424 491 A N 1.329 124.249 122.820 0.168 0.000 1.902 491 A HA -0.087 4.272 4.320 0.065 0.000 0.217 491 A C 2.149 180.044 177.584 0.519 0.000 1.181 491 A CA 1.075 53.300 52.037 0.313 0.000 0.623 491 A CB -0.590 18.446 19.000 0.060 0.000 0.818 491 A HN 0.203 nan 8.150 nan 0.000 0.443 492 I N -0.556 120.236 120.570 0.371 0.000 2.353 492 I HA -0.177 4.032 4.170 0.065 0.000 0.248 492 I C 2.311 178.618 176.117 0.316 0.000 1.119 492 I CA 1.424 62.945 61.300 0.367 0.000 1.417 492 I CB -0.220 37.932 38.000 0.252 0.000 1.078 492 I HN 0.452 nan 8.210 nan 0.000 0.421 493 D N 0.701 121.240 120.400 0.233 0.000 2.117 493 D HA -0.231 4.448 4.640 0.065 0.000 0.197 493 D C 2.012 178.412 176.300 0.166 0.000 0.987 493 D CA 1.506 55.612 54.000 0.177 0.000 0.829 493 D CB 0.104 40.984 40.800 0.134 0.000 0.961 493 D HN 0.445 nan 8.370 nan 0.000 0.460 494 Q N -0.888 119.032 119.800 0.199 0.000 2.084 494 Q HA -0.188 4.191 4.340 0.065 0.000 0.202 494 Q C 2.086 178.120 176.000 0.057 0.000 0.978 494 Q CA 1.234 57.105 55.803 0.113 0.000 0.844 494 Q CB -0.301 28.513 28.738 0.127 0.000 0.898 494 Q HN 0.440 nan 8.270 nan 0.000 0.426 495 Y N 1.077 121.414 120.300 0.061 0.000 2.145 495 Y HA -0.230 4.359 4.550 0.065 0.000 0.286 495 Y C 2.135 178.016 175.900 -0.031 0.000 1.145 495 Y CA 1.598 59.688 58.100 -0.016 0.000 1.148 495 Y CB -0.071 38.528 38.460 0.232 0.000 0.981 495 Y HN 0.037 nan 8.280 nan 0.000 0.507 496 V N -2.546 117.442 119.914 0.124 0.000 2.871 496 V HA -0.071 4.088 4.120 0.065 0.000 0.256 496 V C 1.727 177.807 176.094 -0.024 0.000 1.082 496 V CA 1.859 64.170 62.300 0.019 0.000 1.105 496 V CB -1.311 30.585 31.823 0.122 0.000 0.713 496 V HN 0.559 nan 8.190 nan 0.000 0.473 497 T N -2.924 111.627 114.554 -0.005 0.000 3.086 497 T HA 0.406 4.795 4.350 0.065 0.000 0.250 497 T C 1.524 176.187 174.700 -0.062 0.000 1.074 497 T CA 0.522 62.615 62.100 -0.012 0.000 0.988 497 T CB -0.034 68.848 68.868 0.022 0.000 0.988 497 T HN 1.599 nan 8.240 nan 0.000 0.530 498 G N 2.241 110.965 108.800 -0.127 0.000 2.295 498 G HA2 -0.257 3.742 3.960 0.065 0.000 0.287 498 G HA3 -0.257 3.742 3.960 0.065 0.000 0.287 498 G C 0.420 175.240 174.900 -0.132 0.000 1.055 498 G CA 0.471 45.470 45.100 -0.169 0.000 0.922 498 G HN 1.053 nan 8.290 nan 0.000 0.503 499 T N -2.507 111.978 114.554 -0.114 0.000 3.266 499 T HA 0.512 4.901 4.350 0.065 0.000 0.278 499 T C 2.044 176.678 174.700 -0.111 0.000 1.010 499 T CA 0.233 62.282 62.100 -0.085 0.000 0.909 499 T CB 0.156 69.002 68.868 -0.035 0.000 1.122 499 T HN 0.310 nan 8.240 nan 0.000 0.536 500 I N 1.794 122.236 120.570 -0.214 0.000 2.163 500 I HA 0.171 4.380 4.170 0.065 0.000 0.243 500 I C 1.746 177.772 176.117 -0.151 0.000 1.085 500 I CA 1.603 62.723 61.300 -0.299 0.000 1.347 500 I CB -0.699 36.924 38.000 -0.629 0.000 1.044 500 I HN 0.723 nan 8.210 nan 0.000 0.408 501 G N 0.355 109.077 108.800 -0.129 0.000 2.408 501 G HA2 -0.102 3.897 3.960 0.065 0.000 0.682 501 G HA3 -0.102 3.897 3.960 0.065 0.000 0.682 501 G C -0.047 174.811 174.900 -0.070 0.000 1.303 501 G CA -0.020 45.037 45.100 -0.070 0.000 0.966 501 G HN 0.350 nan 8.290 nan 0.000 0.560 502 E N -0.914 119.262 120.200 -0.040 0.000 2.354 502 E HA 0.245 4.634 4.350 0.065 0.000 0.203 502 E C 0.874 177.467 176.600 -0.012 0.000 0.841 502 E CA 0.509 56.889 56.400 -0.033 0.000 1.046 502 E CB 0.640 30.321 29.700 -0.031 0.000 1.040 502 E HN 0.323 nan 8.360 nan 0.000 0.504 503 D N 1.111 121.509 120.400 -0.004 0.000 2.685 503 D HA 0.058 4.737 4.640 0.065 0.000 0.257 503 D C 1.582 177.892 176.300 0.017 0.000 1.472 503 D CA 0.306 54.309 54.000 0.006 0.000 1.125 503 D CB 0.100 40.901 40.800 0.003 0.000 0.969 503 D HN -0.052 nan 8.370 nan 0.000 0.281 504 E N 0.448 120.658 120.200 0.017 0.000 2.371 504 E HA -0.069 4.320 4.350 0.065 0.000 0.194 504 E C 0.932 177.555 176.600 0.037 0.000 1.012 504 E CA 0.422 56.837 56.400 0.025 0.000 0.860 504 E CB 0.206 29.916 29.700 0.018 0.000 0.811 504 E HN 0.290 nan 8.360 nan 0.000 0.502 505 D N 0.872 121.293 120.400 0.034 0.000 2.123 505 D HA -0.133 4.545 4.640 0.065 0.000 0.200 505 D C 2.059 178.412 176.300 0.088 0.000 0.976 505 D CA 0.533 54.563 54.000 0.050 0.000 0.831 505 D CB 0.046 40.860 40.800 0.024 0.000 0.974 505 D HN 0.123 nan 8.370 nan 0.000 0.469 506 L N 1.293 122.554 121.223 0.063 0.000 2.046 506 L HA -0.145 4.234 4.340 0.065 0.000 0.208 506 L C 2.323 179.296 176.870 0.172 0.000 1.077 506 L CA 1.319 56.218 54.840 0.098 0.000 0.747 506 L CB -0.647 41.437 42.059 0.041 0.000 0.896 506 L HN -0.164 nan 8.230 nan 0.000 0.432 507 V N 0.002 119.979 119.914 0.106 0.000 2.287 507 V HA -0.350 3.809 4.120 0.065 0.000 0.248 507 V C 2.598 178.744 176.094 0.086 0.000 1.053 507 V CA 2.264 64.617 62.300 0.088 0.000 1.027 507 V CB -0.732 31.122 31.823 0.052 0.000 0.646 507 V HN 0.484 nan 8.190 nan 0.000 0.447 508 K N -1.468 118.982 120.400 0.083 0.000 2.097 508 K HA -0.250 4.109 4.320 0.065 0.000 0.206 508 K C 1.962 178.599 176.600 0.062 0.000 1.049 508 K CA 1.948 58.269 56.287 0.057 0.000 0.933 508 K CB -0.313 32.219 32.500 0.053 0.000 0.717 508 K HN 0.644 nan 8.250 nan 0.000 0.442 509 W N 2.461 123.725 121.300 -0.060 0.000 2.381 509 W HA -0.151 4.548 4.660 0.064 0.000 0.301 509 W C 1.804 178.220 176.519 -0.172 0.000 1.205 509 W CA 1.293 58.576 57.345 -0.104 0.000 1.285 509 W CB 0.100 29.528 29.460 -0.054 0.000 1.133 509 W HN 0.048 nan 8.180 nan 0.000 0.521 510 Q N -0.307 119.573 119.800 0.133 0.000 2.297 510 Q HA -0.051 4.328 4.340 0.065 0.000 0.204 510 Q C 2.217 178.136 176.000 -0.136 0.000 0.962 510 Q CA 1.130 56.938 55.803 0.009 0.000 0.879 510 Q CB -0.375 28.476 28.738 0.188 0.000 0.947 510 Q HN 0.330 nan 8.270 nan 0.000 0.462 511 A N 0.311 123.059 122.820 -0.120 0.000 2.168 511 A HA -0.046 4.313 4.320 0.065 0.000 0.215 511 A C 1.781 179.264 177.584 -0.168 0.000 1.152 511 A CA 0.702 52.677 52.037 -0.103 0.000 0.716 511 A CB -0.217 18.751 19.000 -0.054 0.000 0.794 511 A HN 0.283 nan 8.150 nan 0.000 0.465 512 M N -1.156 118.232 119.600 -0.354 0.000 2.561 512 M HA 0.207 4.726 4.480 0.065 0.000 0.238 512 M C -0.712 175.377 176.300 -0.352 0.000 1.131 512 M CA 0.286 55.373 55.300 -0.356 0.000 1.046 512 M CB 0.182 32.505 32.600 -0.462 0.000 1.532 512 M HN 0.264 nan 8.290 nan 0.000 0.497 513 F N -0.477 119.267 119.950 -0.344 0.000 2.458 513 F HA 0.255 4.820 4.527 0.065 0.000 0.330 513 F C 1.278 176.936 175.800 -0.237 0.000 1.082 513 F CA -1.378 56.372 58.000 -0.416 0.000 0.995 513 F CB 1.093 39.757 39.000 -0.560 0.000 1.170 513 F HN -0.113 nan 8.300 nan 0.000 0.478 514 E N 0.544 120.752 120.200 0.013 0.000 2.033 514 E HA -0.035 4.354 4.350 0.065 0.000 0.189 514 E C -0.324 176.237 176.600 -0.065 0.000 0.979 514 E CA 0.993 57.374 56.400 -0.032 0.000 0.802 514 E CB 0.254 29.924 29.700 -0.049 0.000 0.763 514 E HN 0.597 nan 8.360 nan 0.000 0.449 515 E N 0.092 120.203 120.200 -0.149 0.000 2.199 515 E HA 0.295 4.683 4.350 0.065 0.000 0.269 515 E C -1.387 175.067 176.600 -0.243 0.000 0.899 515 E CA -0.661 55.639 56.400 -0.168 0.000 0.772 515 E CB 2.667 32.251 29.700 -0.194 0.000 1.155 515 E HN -0.081 nan 8.360 nan 0.000 0.408 516 V N 4.108 123.956 119.914 -0.111 0.000 2.461 516 V HA 0.265 4.424 4.120 0.065 0.000 0.275 516 V C -1.978 174.069 176.094 -0.078 0.000 1.047 516 V CA -1.452 60.833 62.300 -0.027 0.000 0.955 516 V CB 0.491 32.381 31.823 0.112 0.000 0.988 516 V HN 0.610 nan 8.190 nan 0.000 0.471 517 P HA 0.571 nan 4.420 nan 0.000 0.286 517 P C -0.578 176.797 177.300 0.124 0.000 1.261 517 P CA -0.438 62.611 63.100 -0.085 0.000 0.821 517 P CB 1.177 32.714 31.700 -0.273 0.000 1.013 518 A N 2.436 125.300 122.820 0.074 0.000 2.407 518 A HA 0.204 4.563 4.320 0.065 0.000 0.248 518 A C 0.223 177.912 177.584 0.176 0.000 1.082 518 A CA -0.304 51.791 52.037 0.095 0.000 0.785 518 A CB -0.147 18.872 19.000 0.032 0.000 1.020 518 A HN 0.590 nan 8.150 nan 0.000 0.489 519 Q N 0.330 120.191 119.800 0.101 0.000 2.306 519 Q HA 0.398 4.777 4.340 0.065 0.000 0.241 519 Q C -0.703 175.216 176.000 -0.135 0.000 0.948 519 Q CA -0.273 55.506 55.803 -0.041 0.000 0.886 519 Q CB 0.865 29.469 28.738 -0.223 0.000 1.227 519 Q HN 0.666 nan 8.270 nan 0.000 0.457 520 L N 1.735 122.782 121.223 -0.293 0.000 2.416 520 L HA 0.151 4.530 4.340 0.065 0.000 0.272 520 L C 0.925 177.687 176.870 -0.180 0.000 1.161 520 L CA -0.465 54.232 54.840 -0.239 0.000 0.845 520 L CB 0.172 42.030 42.059 -0.335 0.000 1.119 520 L HN 0.736 nan 8.230 nan 0.000 0.464 521 T N -1.750 112.741 114.554 -0.105 0.000 2.788 521 T HA 0.108 4.497 4.350 0.065 0.000 0.287 521 T C 0.995 175.659 174.700 -0.060 0.000 1.007 521 T CA -0.793 61.263 62.100 -0.073 0.000 1.005 521 T CB 1.154 69.999 68.868 -0.038 0.000 1.012 521 T HN 0.531 nan 8.240 nan 0.000 0.530 522 E N 0.602 120.776 120.200 -0.044 0.000 2.106 522 E HA -0.068 4.321 4.350 0.065 0.000 0.192 522 E C 2.422 179.026 176.600 0.007 0.000 0.984 522 E CA 1.407 57.793 56.400 -0.024 0.000 0.806 522 E CB -0.943 28.744 29.700 -0.022 0.000 0.750 522 E HN 0.816 nan 8.360 nan 0.000 0.458 523 A N 1.380 124.206 122.820 0.010 0.000 1.898 523 A HA -0.193 4.166 4.320 0.065 0.000 0.216 523 A C 2.080 179.700 177.584 0.060 0.000 1.181 523 A CA 1.448 53.505 52.037 0.032 0.000 0.620 523 A CB -0.384 18.631 19.000 0.025 0.000 0.819 523 A HN 0.193 nan 8.150 nan 0.000 0.442 524 E N -0.175 120.056 120.200 0.051 0.000 2.047 524 E HA -0.176 4.213 4.350 0.065 0.000 0.191 524 E C 2.067 178.755 176.600 0.147 0.000 0.987 524 E CA 1.331 57.788 56.400 0.095 0.000 0.799 524 E CB -0.142 29.584 29.700 0.044 0.000 0.752 524 E HN 0.540 nan 8.360 nan 0.000 0.449 525 K N 0.883 121.330 120.400 0.079 0.000 2.074 525 K HA -0.220 4.139 4.320 0.065 0.000 0.209 525 K C 2.181 178.902 176.600 0.202 0.000 1.048 525 K CA 1.244 57.604 56.287 0.122 0.000 0.926 525 K CB -0.083 32.438 32.500 0.035 0.000 0.713 525 K HN -0.039 nan 8.250 nan 0.000 0.444 526 K N 1.067 121.551 120.400 0.139 0.000 2.026 526 K HA -0.222 4.137 4.320 0.065 0.000 0.208 526 K C 2.289 178.986 176.600 0.161 0.000 1.048 526 K CA 1.500 57.865 56.287 0.129 0.000 0.929 526 K CB 0.016 32.563 32.500 0.079 0.000 0.713 526 K HN 0.149 nan 8.250 nan 0.000 0.439 527 Q N -0.217 119.686 119.800 0.172 0.000 2.124 527 Q HA -0.205 4.174 4.340 0.065 0.000 0.202 527 Q C 1.890 178.033 176.000 0.238 0.000 0.977 527 Q CA 1.336 57.240 55.803 0.170 0.000 0.850 527 Q CB -0.156 28.676 28.738 0.157 0.000 0.901 527 Q HN 0.551 nan 8.270 nan 0.000 0.429 528 W N 0.906 122.296 121.300 0.151 0.000 2.354 528 W HA -0.204 4.494 4.660 0.064 0.000 0.315 528 W C 1.656 178.402 176.519 0.378 0.000 1.206 528 W CA 1.104 58.567 57.345 0.196 0.000 1.290 528 W CB -0.330 29.237 29.460 0.178 0.000 1.152 528 W HN 0.145 nan 8.180 nan 0.000 0.489 529 I N 1.499 122.326 120.570 0.429 0.000 2.248 529 I HA -0.329 3.879 4.170 0.065 0.000 0.248 529 I C 2.599 178.781 176.117 0.109 0.000 1.107 529 I CA 1.592 63.104 61.300 0.354 0.000 1.373 529 I CB -0.831 37.334 38.000 0.274 0.000 1.055 529 I HN -0.032 nan 8.210 nan 0.000 0.418 530 A N 0.305 123.169 122.820 0.073 0.000 2.121 530 A HA -0.177 4.181 4.320 0.065 0.000 0.218 530 A C 2.212 179.752 177.584 -0.073 0.000 1.154 530 A CA 1.225 53.258 52.037 -0.008 0.000 0.679 530 A CB -0.360 18.648 19.000 0.013 0.000 0.795 530 A HN 0.352 nan 8.150 nan 0.000 0.458 531 K N -1.149 119.204 120.400 -0.079 0.000 2.288 531 K HA 0.032 4.391 4.320 0.065 0.000 0.201 531 K C 0.116 176.546 176.600 -0.284 0.000 1.048 531 K CA 0.025 56.225 56.287 -0.144 0.000 0.956 531 K CB -0.218 32.155 32.500 -0.211 0.000 0.746 531 K HN 0.393 nan 8.250 nan 0.000 0.461 532 L N 2.039 122.935 121.223 -0.544 0.000 2.410 532 L HA 0.054 4.433 4.340 0.065 0.000 0.273 532 L C 0.029 176.606 176.870 -0.488 0.000 1.144 532 L CA 0.773 55.035 54.840 -0.963 0.000 0.863 532 L CB 0.533 41.685 42.059 -1.511 0.000 1.140 532 L HN 0.131 nan 8.230 nan 0.000 0.463 533 T N 1.740 116.061 114.554 -0.388 0.000 2.865 533 T HA 0.731 5.120 4.350 0.065 0.000 0.294 533 T C 0.137 174.735 174.700 -0.169 0.000 1.119 533 T CA -0.441 61.518 62.100 -0.235 0.000 1.007 533 T CB 1.457 70.225 68.868 -0.167 0.000 1.225 533 T HN 1.689 nan 8.240 nan 0.000 0.515 534 A N 0.026 122.758 122.820 -0.147 0.000 2.800 534 A HA 0.036 4.395 4.320 0.065 0.000 0.292 534 A C 0.215 177.836 177.584 0.061 0.000 1.474 534 A CA 0.403 52.422 52.037 -0.030 0.000 0.744 534 A CB -2.581 16.487 19.000 0.113 0.000 1.044 534 A HN 1.290 nan 8.150 nan 0.000 0.489 535 V N 0.538 120.421 119.914 -0.052 0.000 2.644 535 V HA 0.623 4.782 4.120 0.065 0.000 0.295 535 V C 0.922 177.074 176.094 0.095 0.000 1.053 535 V CA 0.089 62.401 62.300 0.021 0.000 0.987 535 V CB 1.913 33.738 31.823 0.002 0.000 1.006 535 V HN 0.680 nan 8.190 nan 0.000 0.472 536 S N 3.617 119.392 115.700 0.124 0.000 2.549 536 S HA 0.775 5.283 4.470 0.065 0.000 0.297 536 S C -0.713 173.884 174.600 -0.005 0.000 1.115 536 S CA -0.467 57.805 58.200 0.119 0.000 1.059 536 S CB 1.419 64.665 63.200 0.077 0.000 1.046 536 S HN 0.625 nan 8.310 nan 0.000 0.506 537 L N 1.871 123.063 121.223 -0.052 0.000 2.431 537 L HA 0.739 5.118 4.340 0.065 0.000 0.266 537 L C -0.872 175.949 176.870 -0.081 0.000 0.978 537 L CA -0.156 54.586 54.840 -0.163 0.000 0.822 537 L CB 2.065 43.924 42.059 -0.334 0.000 1.310 537 L HN 0.652 nan 8.230 nan 0.000 0.409 538 S N 2.311 117.964 115.700 -0.078 0.000 2.500 538 S HA 0.667 5.175 4.470 0.065 0.000 0.301 538 S C -1.117 173.449 174.600 -0.058 0.000 1.092 538 S CA -0.382 57.791 58.200 -0.044 0.000 1.030 538 S CB 1.763 64.962 63.200 -0.002 0.000 1.031 538 S HN 0.685 nan 8.310 nan 0.000 0.483 539 S N 2.040 117.674 115.700 -0.111 0.000 2.500 539 S HA 0.346 4.855 4.470 0.065 0.000 0.301 539 S C 0.518 175.042 174.600 -0.126 0.000 1.092 539 S CA -0.662 57.460 58.200 -0.129 0.000 1.030 539 S CB 1.135 64.115 63.200 -0.367 0.000 1.031 539 S HN 0.863 nan 8.310 nan 0.000 0.483 540 D N 3.277 123.648 120.400 -0.048 0.000 2.348 540 D HA 0.209 4.888 4.640 0.065 0.000 0.216 540 D C 0.483 176.691 176.300 -0.153 0.000 0.970 540 D CA 0.697 54.670 54.000 -0.045 0.000 0.889 540 D CB -0.002 40.845 40.800 0.079 0.000 0.912 540 D HN 0.552 nan 8.370 nan 0.000 0.524 541 A N -0.673 122.046 122.820 -0.169 0.000 2.583 541 A HA 0.562 4.921 4.320 0.065 0.000 0.289 541 A C -0.811 176.588 177.584 -0.310 0.000 1.151 541 A CA -1.040 50.816 52.037 -0.301 0.000 0.695 541 A CB 0.394 19.209 19.000 -0.309 0.000 1.290 541 A HN 0.161 nan 8.150 nan 0.000 0.419 542 F N -0.525 119.310 119.950 -0.192 0.000 2.553 542 F HA 0.608 5.174 4.527 0.065 0.000 0.356 542 F C -0.738 175.012 175.800 -0.083 0.000 1.142 542 F CA -0.948 56.929 58.000 -0.205 0.000 1.322 542 F CB -0.307 38.591 39.000 -0.170 0.000 1.126 542 F HN 0.226 nan 8.300 nan 0.000 0.599 543 F N 4.178 124.305 119.950 0.296 0.000 2.444 543 F HA 0.329 4.895 4.527 0.065 0.000 0.360 543 F C -1.463 174.469 175.800 0.219 0.000 1.106 543 F CA -2.547 55.570 58.000 0.196 0.000 1.170 543 F CB 0.449 39.530 39.000 0.135 0.000 1.113 543 F HN 0.338 nan 8.300 nan 0.000 0.521 544 P HA -0.095 nan 4.420 nan 0.000 0.216 544 P C -0.351 176.645 177.300 -0.508 0.000 1.153 544 P CA 1.610 64.640 63.100 -0.116 0.000 0.848 544 P CB 0.277 31.835 31.700 -0.236 0.000 0.787 545 F N -2.623 117.431 119.950 0.173 0.000 2.650 545 F HA 0.370 4.936 4.527 0.065 0.000 0.320 545 F C 1.607 177.429 175.800 0.036 0.000 1.091 545 F CA -1.106 56.947 58.000 0.088 0.000 0.962 545 F CB 0.592 39.623 39.000 0.053 0.000 1.363 545 F HN -0.375 nan 8.300 nan 0.000 0.482 546 R N -0.404 120.240 120.500 0.240 0.000 2.339 546 R HA -0.032 4.347 4.340 0.065 0.000 0.199 546 R C 0.547 176.847 176.300 -0.001 0.000 1.018 546 R CA 1.403 57.552 56.100 0.082 0.000 1.036 546 R CB -0.735 29.606 30.300 0.068 0.000 0.899 546 R HN 0.611 nan 8.270 nan 0.000 0.473 547 D N 0.986 121.400 120.400 0.022 0.000 2.182 547 D HA -0.218 4.461 4.640 0.065 0.000 0.201 547 D C 1.046 177.269 176.300 -0.128 0.000 0.986 547 D CA 1.099 55.074 54.000 -0.041 0.000 0.847 547 D CB -0.536 40.251 40.800 -0.021 0.000 0.942 547 D HN 0.260 nan 8.370 nan 0.000 0.467 548 N N 0.423 118.975 118.700 -0.248 0.000 2.120 548 N HA -0.103 4.676 4.740 0.065 0.000 0.188 548 N C 2.004 177.239 175.510 -0.458 0.000 1.024 548 N CA 1.311 54.047 53.050 -0.523 0.000 0.852 548 N CB -0.070 37.619 38.487 -1.329 0.000 1.003 548 N HN 0.199 nan 8.380 nan 0.000 0.424 549 V N 2.044 121.749 119.914 -0.347 0.000 2.358 549 V HA -0.163 3.995 4.120 0.065 0.000 0.246 549 V C 1.835 177.866 176.094 -0.105 0.000 1.047 549 V CA 1.512 63.703 62.300 -0.181 0.000 1.035 549 V CB -0.481 31.293 31.823 -0.082 0.000 0.658 549 V HN 0.153 nan 8.190 nan 0.000 0.452 550 D N 0.093 120.441 120.400 -0.087 0.000 2.123 550 D HA -0.208 4.471 4.640 0.065 0.000 0.196 550 D C 2.328 178.602 176.300 -0.044 0.000 0.992 550 D CA 1.572 55.539 54.000 -0.055 0.000 0.833 550 D CB -0.180 40.593 40.800 -0.046 0.000 0.954 550 D HN 0.260 nan 8.370 nan 0.000 0.455 551 R N 1.169 121.637 120.500 -0.053 0.000 2.075 551 R HA 0.003 4.382 4.340 0.065 0.000 0.232 551 R C 1.990 178.315 176.300 0.042 0.000 1.126 551 R CA 1.662 57.755 56.100 -0.012 0.000 0.963 551 R CB -0.697 29.595 30.300 -0.014 0.000 0.858 551 R HN 0.064 nan 8.270 nan 0.000 0.435 552 A N 0.577 123.417 122.820 0.035 0.000 1.933 552 A HA -0.151 4.208 4.320 0.065 0.000 0.218 552 A C 2.052 179.677 177.584 0.068 0.000 1.175 552 A CA 1.806 53.917 52.037 0.124 0.000 0.628 552 A CB -0.533 18.468 19.000 0.002 0.000 0.814 552 A HN 0.335 nan 8.150 nan 0.000 0.444 553 K N 0.278 120.674 120.400 -0.006 0.000 2.103 553 K HA -0.094 4.265 4.320 0.065 0.000 0.207 553 K C 1.934 178.518 176.600 -0.027 0.000 1.048 553 K CA 1.563 57.829 56.287 -0.036 0.000 0.930 553 K CB -0.318 32.153 32.500 -0.049 0.000 0.716 553 K HN 0.433 nan 8.250 nan 0.000 0.444 554 R N -0.535 119.961 120.500 -0.007 0.000 2.341 554 R HA -0.037 4.342 4.340 0.065 0.000 0.213 554 R C 0.734 177.030 176.300 -0.007 0.000 1.082 554 R CA 0.854 56.950 56.100 -0.006 0.000 1.017 554 R CB -0.103 30.198 30.300 0.002 0.000 0.860 554 R HN 0.209 nan 8.270 nan 0.000 0.473 555 I N -0.833 119.735 120.570 -0.003 0.000 3.833 555 I HA 0.256 4.465 4.170 0.065 0.000 0.328 555 I C 0.496 176.565 176.117 -0.079 0.000 1.554 555 I CA 0.136 61.415 61.300 -0.035 0.000 1.116 555 I CB 0.767 38.731 38.000 -0.060 0.000 1.182 555 I HN 0.214 nan 8.210 nan 0.000 0.459 556 G N 0.633 109.380 108.800 -0.089 0.000 2.141 556 G HA2 -0.199 3.800 3.960 0.065 0.000 0.242 556 G HA3 -0.199 3.800 3.960 0.065 0.000 0.242 556 G C 0.290 175.109 174.900 -0.136 0.000 0.982 556 G CA 0.140 45.154 45.100 -0.143 0.000 0.662 556 G HN 0.283 nan 8.290 nan 0.000 0.527 557 V N 0.678 120.548 119.914 -0.073 0.000 2.540 557 V HA 0.282 4.441 4.120 0.065 0.000 0.297 557 V C 1.345 177.289 176.094 -0.249 0.000 1.024 557 V CA 1.744 63.980 62.300 -0.106 0.000 1.105 557 V CB 1.601 33.403 31.823 -0.035 0.000 0.938 557 V HN 0.583 nan 8.190 nan 0.000 0.482 558 Q N 3.471 122.984 119.800 -0.478 0.000 2.288 558 Q HA 0.272 4.650 4.340 0.065 0.000 0.256 558 Q C -0.608 174.831 176.000 -0.936 0.000 0.835 558 Q CA 0.100 55.414 55.803 -0.815 0.000 0.958 558 Q CB 0.691 28.710 28.738 -1.199 0.000 1.125 558 Q HN 0.681 nan 8.270 nan 0.000 0.513 559 F N 0.947 120.845 119.950 -0.086 0.000 2.518 559 F HA 0.556 5.122 4.527 0.065 0.000 0.323 559 F C -0.486 175.250 175.800 -0.107 0.000 1.129 559 F CA -0.884 57.047 58.000 -0.114 0.000 0.920 559 F CB 1.348 40.253 39.000 -0.159 0.000 1.160 559 F HN -0.151 nan 8.300 nan 0.000 0.440 560 I N 3.455 124.059 120.570 0.057 0.000 2.533 560 I HA 0.546 4.755 4.170 0.065 0.000 0.290 560 I C -1.311 174.815 176.117 0.016 0.000 1.056 560 I CA -1.136 60.184 61.300 0.033 0.000 1.057 560 I CB 2.408 40.456 38.000 0.080 0.000 1.240 560 I HN 0.397 nan 8.210 nan 0.000 0.423 561 V N 5.980 125.900 119.914 0.010 0.000 2.540 561 V HA 0.959 5.118 4.120 0.065 0.000 0.302 561 V C -0.751 175.327 176.094 -0.027 0.000 1.035 561 V CA -0.002 62.324 62.300 0.042 0.000 0.873 561 V CB 1.543 33.454 31.823 0.146 0.000 0.992 561 V HN 0.916 nan 8.190 nan 0.000 0.428 562 A N 6.900 129.707 122.820 -0.021 0.000 2.608 562 A HA 0.909 5.267 4.320 0.065 0.000 0.292 562 A C -3.276 174.291 177.584 -0.028 0.000 1.066 562 A CA -1.361 50.597 52.037 -0.132 0.000 0.676 562 A CB 2.007 20.757 19.000 -0.417 0.000 1.277 562 A HN 0.615 nan 8.150 nan 0.000 0.413 563 P HA 0.215 nan 4.420 nan 0.000 0.269 563 P C 0.375 177.564 177.300 -0.185 0.000 1.209 563 P CA 0.267 63.308 63.100 -0.098 0.000 0.776 563 P CB 0.747 32.384 31.700 -0.105 0.000 0.876 564 S N 1.145 116.610 115.700 -0.392 0.000 2.652 564 S HA 0.609 5.118 4.470 0.065 0.000 0.267 564 S C 1.029 175.413 174.600 -0.360 0.000 1.201 564 S CA 0.245 57.990 58.200 -0.759 0.000 0.996 564 S CB 0.291 63.061 63.200 -0.715 0.000 1.054 564 S HN 0.829 nan 8.310 nan 0.000 0.561 565 G N -0.728 107.801 108.800 -0.450 0.000 2.273 565 G HA2 -0.078 3.921 3.960 0.065 0.000 0.162 565 G HA3 -0.078 3.921 3.960 0.065 0.000 0.162 565 G C 0.034 174.321 174.900 -1.022 0.000 1.006 565 G CA 0.107 44.903 45.100 -0.506 0.000 0.704 565 G HN 1.279 nan 8.290 nan 0.000 0.487 566 S N 0.070 115.139 115.700 -1.052 0.000 2.616 566 S HA 0.710 5.219 4.470 0.065 0.000 0.277 566 S C 1.693 176.018 174.600 -0.459 0.000 1.234 566 S CA 0.783 58.385 58.200 -0.998 0.000 1.028 566 S CB 1.537 64.327 63.200 -0.684 0.000 0.988 566 S HN 1.557 nan 8.310 nan 0.000 0.522 567 A N 2.774 125.393 122.820 -0.334 0.000 2.216 567 A HA 0.357 4.716 4.320 0.065 0.000 0.214 567 A C 1.557 179.077 177.584 -0.106 0.000 1.160 567 A CA 1.130 53.065 52.037 -0.171 0.000 0.725 567 A CB -0.698 18.241 19.000 -0.103 0.000 0.784 567 A HN 1.275 nan 8.150 nan 0.000 0.472 568 A N -0.973 121.770 122.820 -0.129 0.000 2.594 568 A HA 0.342 4.701 4.320 0.065 0.000 0.287 568 A C 0.834 178.413 177.584 -0.007 0.000 1.227 568 A CA 0.253 52.274 52.037 -0.027 0.000 0.952 568 A CB -0.022 19.004 19.000 0.044 0.000 1.161 568 A HN 0.223 nan 8.150 nan 0.000 0.524 569 D N 0.701 121.072 120.400 -0.048 0.000 2.133 569 D HA -0.201 4.478 4.640 0.065 0.000 0.195 569 D C 1.692 178.045 176.300 0.088 0.000 0.997 569 D CA 1.645 55.667 54.000 0.036 0.000 0.840 569 D CB 0.097 40.894 40.800 -0.005 0.000 0.947 569 D HN 0.487 nan 8.370 nan 0.000 0.452 570 E N 0.242 120.471 120.200 0.048 0.000 2.160 570 E HA -0.111 4.278 4.350 0.065 0.000 0.195 570 E C 2.015 178.646 176.600 0.051 0.000 0.991 570 E CA 0.360 56.789 56.400 0.047 0.000 0.810 570 E CB -0.117 29.599 29.700 0.028 0.000 0.742 570 E HN 0.100 nan 8.360 nan 0.000 0.466 571 V N -0.778 119.173 119.914 0.063 0.000 2.407 571 V HA -0.160 3.998 4.120 0.065 0.000 0.245 571 V C 2.287 178.428 176.094 0.078 0.000 1.041 571 V CA 1.232 63.575 62.300 0.071 0.000 1.040 571 V CB -0.182 31.701 31.823 0.099 0.000 0.671 571 V HN 0.135 nan 8.190 nan 0.000 0.455 572 V N 0.056 120.031 119.914 0.102 0.000 2.407 572 V HA -0.242 3.917 4.120 0.065 0.000 0.248 572 V C 2.181 178.320 176.094 0.075 0.000 1.055 572 V CA 2.030 64.401 62.300 0.117 0.000 1.049 572 V CB -0.456 31.483 31.823 0.193 0.000 0.662 572 V HN 0.436 nan 8.190 nan 0.000 0.455 573 I N -0.387 120.216 120.570 0.056 0.000 2.142 573 I HA -0.190 4.019 4.170 0.065 0.000 0.240 573 I C 2.673 178.791 176.117 0.001 0.000 1.078 573 I CA 1.377 62.676 61.300 -0.001 0.000 1.343 573 I CB -0.456 37.544 38.000 -0.001 0.000 1.046 573 I HN 0.280 nan 8.210 nan 0.000 0.405 574 E N 0.958 121.168 120.200 0.016 0.000 2.110 574 E HA -0.198 4.191 4.350 0.065 0.000 0.193 574 E C 2.307 178.911 176.600 0.006 0.000 0.988 574 E CA 1.412 57.817 56.400 0.009 0.000 0.804 574 E CB -0.304 29.405 29.700 0.015 0.000 0.745 574 E HN 0.506 nan 8.360 nan 0.000 0.458 575 A N 0.692 123.521 122.820 0.015 0.000 1.902 575 A HA -0.205 4.154 4.320 0.065 0.000 0.217 575 A C 2.636 180.215 177.584 -0.008 0.000 1.181 575 A CA 1.538 53.578 52.037 0.006 0.000 0.623 575 A CB -0.899 18.111 19.000 0.017 0.000 0.818 575 A HN 0.356 nan 8.150 nan 0.000 0.443 576 C N -0.399 118.897 119.300 -0.008 0.000 2.446 576 C HA -0.072 4.427 4.460 0.065 0.000 0.277 576 C C 2.670 177.641 174.990 -0.032 0.000 1.275 576 C CA 0.968 59.971 59.018 -0.025 0.000 1.727 576 C CB -1.467 26.257 27.740 -0.026 0.000 2.010 576 C HN 0.631 nan 8.230 nan 0.000 0.486 577 N N 0.816 119.502 118.700 -0.025 0.000 2.104 577 N HA -0.168 4.611 4.740 0.065 0.000 0.190 577 N C 1.816 177.312 175.510 -0.024 0.000 1.024 577 N CA 1.458 54.494 53.050 -0.023 0.000 0.853 577 N CB -0.649 37.828 38.487 -0.016 0.000 1.008 577 N HN 0.703 nan 8.380 nan 0.000 0.424 578 E N 0.952 121.140 120.200 -0.020 0.000 2.077 578 E HA -0.129 4.259 4.350 0.065 0.000 0.193 578 E C 1.448 178.030 176.600 -0.030 0.000 0.989 578 E CA 0.802 57.190 56.400 -0.021 0.000 0.800 578 E CB -0.069 29.622 29.700 -0.015 0.000 0.746 578 E HN 0.325 nan 8.360 nan 0.000 0.452 579 L N -0.030 121.171 121.223 -0.037 0.000 2.591 579 L HA 0.207 4.586 4.340 0.065 0.000 0.228 579 L C 1.240 178.070 176.870 -0.067 0.000 1.133 579 L CA 0.339 55.149 54.840 -0.049 0.000 0.880 579 L CB -0.001 42.026 42.059 -0.052 0.000 1.033 579 L HN 0.399 nan 8.230 nan 0.000 0.450 580 G N 1.404 110.167 108.800 -0.062 0.000 2.198 580 G HA2 -0.284 3.715 3.960 0.065 0.000 0.257 580 G HA3 -0.284 3.715 3.960 0.065 0.000 0.257 580 G C -0.035 174.798 174.900 -0.111 0.000 1.042 580 G CA -0.061 44.995 45.100 -0.075 0.000 0.791 580 G HN 0.325 nan 8.290 nan 0.000 0.502 581 I N 0.815 121.324 120.570 -0.102 0.000 2.377 581 I HA 0.331 4.540 4.170 0.065 0.000 0.293 581 I C 0.597 176.667 176.117 -0.078 0.000 0.987 581 I CA -0.618 60.603 61.300 -0.133 0.000 1.185 581 I CB 1.783 39.718 38.000 -0.109 0.000 1.341 581 I HN 0.032 nan 8.210 nan 0.000 0.455 582 T N 7.248 121.770 114.554 -0.054 0.000 2.749 582 T HA 0.354 4.743 4.350 0.065 0.000 0.295 582 T C -0.451 174.253 174.700 0.007 0.000 0.936 582 T CA -0.178 61.934 62.100 0.019 0.000 1.060 582 T CB 0.547 69.493 68.868 0.130 0.000 0.904 582 T HN 0.198 nan 8.240 nan 0.000 0.500 583 L N 5.682 126.885 121.223 -0.034 0.000 2.313 583 L HA 0.662 5.041 4.340 0.065 0.000 0.283 583 L C -1.117 175.699 176.870 -0.090 0.000 1.013 583 L CA -0.514 54.283 54.840 -0.072 0.000 0.816 583 L CB 0.835 42.811 42.059 -0.138 0.000 1.236 583 L HN 0.563 nan 8.230 nan 0.000 0.419 584 I N 4.796 125.343 120.570 -0.038 0.000 2.354 584 I HA 0.347 4.556 4.170 0.065 0.000 0.292 584 I C -0.390 175.769 176.117 0.070 0.000 0.989 584 I CA -0.242 61.077 61.300 0.031 0.000 1.188 584 I CB 1.130 39.209 38.000 0.132 0.000 1.342 584 I HN 0.585 nan 8.210 nan 0.000 0.457 585 H N 3.860 122.948 119.070 0.030 0.000 2.488 585 H HA 0.463 5.058 4.556 0.065 0.000 0.322 585 H C -0.042 175.285 175.328 -0.002 0.000 1.078 585 H CA -0.633 55.416 56.048 0.001 0.000 1.260 585 H CB 1.405 31.163 29.762 -0.007 0.000 1.425 585 H HN 0.650 nan 8.280 nan 0.000 0.471 586 T N -0.094 114.517 114.554 0.095 0.000 2.938 586 T HA 0.131 4.519 4.350 0.065 0.000 0.285 586 T C 0.629 175.305 174.700 -0.040 0.000 1.028 586 T CA -1.010 61.098 62.100 0.013 0.000 1.005 586 T CB 1.526 70.387 68.868 -0.011 0.000 1.157 586 T HN 0.465 nan 8.240 nan 0.000 0.550 587 N N -0.041 118.627 118.700 -0.053 0.000 2.328 587 N HA 0.194 4.972 4.740 0.065 0.000 0.247 587 N C -0.969 174.492 175.510 -0.082 0.000 1.165 587 N CA -0.408 52.601 53.050 -0.068 0.000 0.873 587 N CB -0.348 38.105 38.487 -0.056 0.000 1.125 587 N HN 0.551 nan 8.380 nan 0.000 0.513 588 L N 1.202 122.370 121.223 -0.091 0.000 2.366 588 L HA 0.470 4.849 4.340 0.065 0.000 0.266 588 L C -0.160 176.623 176.870 -0.145 0.000 1.010 588 L CA -0.551 54.224 54.840 -0.108 0.000 0.879 588 L CB 0.598 42.598 42.059 -0.099 0.000 1.228 588 L HN -0.049 nan 8.230 nan 0.000 0.439 589 R N 3.787 124.175 120.500 -0.187 0.000 2.490 589 R HA 0.418 4.797 4.340 0.065 0.000 0.280 589 R C -0.428 175.719 176.300 -0.255 0.000 1.077 589 R CA -0.196 55.725 56.100 -0.297 0.000 1.065 589 R CB 0.594 30.633 30.300 -0.436 0.000 1.003 589 R HN 0.784 nan 8.270 nan 0.000 0.470 590 L N 5.468 126.541 121.223 -0.251 0.000 3.168 590 L HA 0.299 4.677 4.340 0.065 0.000 0.277 590 L C -0.719 176.168 176.870 0.028 0.000 1.308 590 L CA -0.571 54.194 54.840 -0.126 0.000 0.976 590 L CB 0.100 42.090 42.059 -0.115 0.000 1.383 590 L HN 0.477 nan 8.230 nan 0.000 0.572 591 F N 0.182 120.082 119.950 -0.084 0.000 2.518 591 F HA 0.231 4.796 4.527 0.064 0.000 0.359 591 F C 0.659 176.417 175.800 -0.072 0.000 1.118 591 F CA -0.264 57.675 58.000 -0.101 0.000 1.287 591 F CB 0.158 39.125 39.000 -0.055 0.000 1.132 591 F HN 0.130 nan 8.300 nan 0.000 0.587 592 H N 2.814 121.796 119.070 -0.147 0.000 2.877 592 H HA 0.458 5.052 4.556 0.064 0.000 0.347 592 H C -1.164 173.925 175.328 -0.399 0.000 1.042 592 H CA -0.388 55.558 56.048 -0.170 0.000 1.276 592 H CB 0.661 30.358 29.762 -0.108 0.000 1.681 592 H HN 0.560 nan 8.280 nan 0.000 0.521 593 H N 0.000 118.900 119.070 -0.284 0.000 2.539 593 H HA 0.000 4.595 4.556 0.064 0.000 0.296 593 H CA 0.000 55.903 56.048 -0.242 0.000 1.023 593 H CB 0.000 29.696 29.762 -0.110 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496