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 1pkx_1_A DATA FIRST_RESID 3 DATA SEQUENCE PGQLALFSVS DKTGLVEFAR NLTALGLNLV ASGGTAKALR DAGLAVRDVS DATA SEQUENCE ELTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMARLD FNLIRVVACN DATA SEQUENCE LYPFVKTVAS PGVTVEEAVE QIDIGGVTLL RAAAKNHARV TVVCEPEDYV DATA SEQUENCE VVSTEMQSSE SKDTSLETRR QLALKAFTHT AQYDEAISDY FRKQYSKGVS DATA SEQUENCE QMPLRYGMNP HQTPAQLYTL QPKLPITVLN GAPGFINLCD ALNAWQLVKE DATA SEQUENCE LKEALGIPAA ASFKHVSPAG AAVGIPLSED EAKVCMVYDL YKTLTPISAA DATA SEQUENCE YARARGADRM SSFGDFVALS DVCDVPTAKI ISREVSDGII APGYEEEALT DATA SEQUENCE ILSKKKNGNY CVLQMDQSYK PDENEVRTLF GLHLSQKRNN GVVDKSLFSN DATA SEQUENCE VVTKNKDLPE SALRDLIVAT IAVKYTQSNS VCYAKNGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NYWWLRHHPQ VLSMKFKTGV XXAEISNAID QYVTGTIGED DATA SEQUENCE EDLIKWKALF EEVPELLTEA EKKEWVEKLT EVSISSDAFF PFRDNVDRAK DATA SEQUENCE RSGVAYIAAP SGSAADKVVI EACDELGIIL AHTNLRLFHH 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.301 177.300 0.001 0.000 1.155 3 P CA 0.000 63.103 63.100 0.005 0.000 0.800 3 P CB 0.000 31.702 31.700 0.004 0.000 0.726 4 G N 1.658 110.459 108.800 0.001 0.000 2.571 4 G HA2 0.496 4.456 3.960 -0.001 0.000 0.327 4 G HA3 0.496 4.456 3.960 -0.001 0.000 0.327 4 G C 0.072 174.969 174.900 -0.005 0.000 1.008 4 G CA 0.164 45.261 45.100 -0.004 0.000 1.136 4 G HN 0.767 nan 8.290 nan 0.000 0.444 5 Q N 0.605 120.400 119.800 -0.008 0.000 2.479 5 Q HA 0.179 4.519 4.340 -0.001 0.000 0.267 5 Q C 0.140 176.128 176.000 -0.020 0.000 1.071 5 Q CA 0.311 56.107 55.803 -0.013 0.000 0.935 5 Q CB 1.279 30.007 28.738 -0.016 0.000 1.295 5 Q HN 0.444 nan 8.270 nan 0.000 0.476 6 L N 0.661 121.868 121.223 -0.027 0.000 2.343 6 L HA 0.597 4.937 4.340 -0.001 0.000 0.275 6 L C -0.328 176.505 176.870 -0.061 0.000 1.056 6 L CA -0.778 54.042 54.840 -0.033 0.000 0.804 6 L CB 1.286 43.324 42.059 -0.036 0.000 1.203 6 L HN 0.607 nan 8.230 nan 0.000 0.440 7 A N 3.314 126.104 122.820 -0.049 0.000 2.311 7 A HA 0.610 4.929 4.320 -0.001 0.000 0.306 7 A C -1.120 176.389 177.584 -0.124 0.000 1.189 7 A CA -0.434 51.518 52.037 -0.143 0.000 0.791 7 A CB 1.151 20.099 19.000 -0.086 0.000 1.172 7 A HN 0.507 nan 8.150 nan 0.000 0.481 8 L N 3.162 124.230 121.223 -0.259 0.000 2.275 8 L HA 0.817 5.157 4.340 -0.001 0.000 0.288 8 L C -1.579 175.114 176.870 -0.294 0.000 1.046 8 L CA -0.279 54.470 54.840 -0.152 0.000 0.805 8 L CB 0.148 42.125 42.059 -0.137 0.000 1.193 8 L HN 0.491 nan 8.230 nan 0.000 0.426 9 F N 3.385 123.310 119.950 -0.040 0.000 2.507 9 F HA 0.649 5.176 4.527 -0.001 0.000 0.325 9 F C 0.369 176.163 175.800 -0.010 0.000 1.116 9 F CA -0.573 57.419 58.000 -0.014 0.000 0.930 9 F CB 2.130 41.117 39.000 -0.020 0.000 1.146 9 F HN 0.447 nan 8.300 nan 0.000 0.447 10 S N 2.945 118.739 115.700 0.156 0.000 2.397 10 S HA 0.566 5.035 4.470 -0.001 0.000 0.190 10 S C -1.590 173.055 174.600 0.074 0.000 1.100 10 S CA -0.541 57.712 58.200 0.088 0.000 1.150 10 S CB 0.173 63.387 63.200 0.024 0.000 1.302 10 S HN 0.623 nan 8.310 nan 0.000 0.417 11 V N 1.894 121.875 119.914 0.111 0.000 2.735 11 V HA 0.721 4.840 4.120 -0.001 0.000 0.310 11 V C 0.842 177.002 176.094 0.110 0.000 1.061 11 V CA -0.583 61.780 62.300 0.105 0.000 0.913 11 V CB 1.545 33.464 31.823 0.160 0.000 1.005 11 V HN 0.449 nan 8.190 nan 0.000 0.428 12 S N 1.255 117.022 115.700 0.111 0.000 2.406 12 S HA 0.006 4.476 4.470 -0.001 0.000 0.224 12 S C 0.658 175.324 174.600 0.111 0.000 1.030 12 S CA 1.303 59.589 58.200 0.144 0.000 0.958 12 S CB -0.146 63.171 63.200 0.195 0.000 0.811 12 S HN 1.041 nan 8.310 nan 0.000 0.489 13 D N 0.894 121.353 120.400 0.099 0.000 2.396 13 D HA 0.291 4.930 4.640 -0.001 0.000 0.225 13 D C 0.162 176.525 176.300 0.106 0.000 1.121 13 D CA -0.168 53.883 54.000 0.085 0.000 0.853 13 D CB 0.951 41.790 40.800 0.065 0.000 1.043 13 D HN -0.201 nan 8.370 nan 0.000 0.500 14 K N 1.271 121.730 120.400 0.099 0.000 2.444 14 K HA 0.129 4.448 4.320 -0.001 0.000 0.193 14 K C 0.188 176.865 176.600 0.128 0.000 1.024 14 K CA 0.044 56.399 56.287 0.114 0.000 1.077 14 K CB 0.144 32.690 32.500 0.077 0.000 0.833 14 K HN 0.373 nan 8.250 nan 0.000 0.517 15 T N 0.844 115.465 114.554 0.111 0.000 2.891 15 T HA 0.120 4.469 4.350 -0.001 0.000 0.296 15 T C 1.305 176.119 174.700 0.191 0.000 1.025 15 T CA 1.186 63.349 62.100 0.105 0.000 1.149 15 T CB 0.421 69.322 68.868 0.054 0.000 1.007 15 T HN 0.585 nan 8.240 nan 0.000 0.528 16 G N 2.301 111.204 108.800 0.171 0.000 2.196 16 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.268 16 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.268 16 G C 0.869 175.922 174.900 0.256 0.000 0.975 16 G CA 0.604 45.850 45.100 0.243 0.000 0.648 16 G HN 0.703 nan 8.290 nan 0.000 0.538 17 L N 0.819 122.160 121.223 0.196 0.000 1.955 17 L HA -0.031 4.308 4.340 -0.001 0.000 0.213 17 L C 2.964 179.820 176.870 -0.024 0.000 1.072 17 L CA 2.910 57.795 54.840 0.075 0.000 0.755 17 L CB -0.863 41.232 42.059 0.061 0.000 0.888 17 L HN 0.278 nan 8.230 nan 0.000 0.432 18 V N 0.208 120.104 119.914 -0.030 0.000 2.250 18 V HA -0.385 3.734 4.120 -0.001 0.000 0.253 18 V C 3.026 179.092 176.094 -0.046 0.000 1.065 18 V CA 2.657 64.916 62.300 -0.069 0.000 1.039 18 V CB -1.787 30.014 31.823 -0.037 0.000 0.647 18 V HN 0.724 nan 8.190 nan 0.000 0.446 19 E N -0.773 119.441 120.200 0.023 0.000 2.110 19 E HA -0.299 4.050 4.350 -0.001 0.000 0.193 19 E C 1.922 178.579 176.600 0.094 0.000 0.988 19 E CA 1.653 58.085 56.400 0.053 0.000 0.804 19 E CB -0.721 29.030 29.700 0.086 0.000 0.745 19 E HN 0.618 nan 8.360 nan 0.000 0.458 20 F N 1.352 121.244 119.950 -0.098 0.000 2.113 20 F HA 0.196 4.722 4.527 -0.001 0.000 0.297 20 F C 2.698 178.450 175.800 -0.081 0.000 1.103 20 F CA 1.162 59.081 58.000 -0.135 0.000 1.248 20 F CB -0.718 38.004 39.000 -0.464 0.000 0.999 20 F HN 0.260 nan 8.300 nan 0.000 0.475 21 A N 0.961 123.636 122.820 -0.241 0.000 1.908 21 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 21 A C 2.436 179.871 177.584 -0.248 0.000 1.181 21 A CA 1.528 53.318 52.037 -0.412 0.000 0.627 21 A CB -0.697 17.925 19.000 -0.629 0.000 0.818 21 A HN 0.370 nan 8.150 nan 0.000 0.445 22 R N -0.171 120.234 120.500 -0.158 0.000 2.083 22 R HA -0.141 4.199 4.340 -0.001 0.000 0.237 22 R C 1.838 178.088 176.300 -0.082 0.000 1.137 22 R CA 1.616 57.657 56.100 -0.099 0.000 0.951 22 R CB -0.623 29.644 30.300 -0.054 0.000 0.851 22 R HN 0.595 nan 8.270 nan 0.000 0.434 23 N N 0.974 119.632 118.700 -0.069 0.000 2.084 23 N HA -0.134 4.605 4.740 -0.001 0.000 0.190 23 N C 2.043 177.498 175.510 -0.092 0.000 1.030 23 N CA 1.130 54.152 53.050 -0.046 0.000 0.849 23 N CB -0.358 38.141 38.487 0.019 0.000 1.012 23 N HN 0.220 nan 8.380 nan 0.000 0.423 24 L N 0.638 121.750 121.223 -0.186 0.000 2.141 24 L HA -0.087 4.253 4.340 -0.001 0.000 0.209 24 L C 2.229 179.036 176.870 -0.105 0.000 1.094 24 L CA 0.965 55.700 54.840 -0.176 0.000 0.763 24 L CB -0.811 41.081 42.059 -0.277 0.000 0.908 24 L HN 0.134 nan 8.230 nan 0.000 0.437 25 T N 0.295 114.787 114.554 -0.104 0.000 2.674 25 T HA -0.139 4.211 4.350 -0.001 0.000 0.265 25 T C 1.776 176.443 174.700 -0.055 0.000 1.039 25 T CA 1.384 63.439 62.100 -0.075 0.000 1.150 25 T CB -0.252 68.565 68.868 -0.085 0.000 0.864 25 T HN 0.417 nan 8.240 nan 0.000 0.427 26 A N 0.333 123.122 122.820 -0.052 0.000 2.263 26 A HA 0.195 4.515 4.320 -0.001 0.000 0.205 26 A C 1.600 179.167 177.584 -0.029 0.000 1.226 26 A CA 0.490 52.506 52.037 -0.034 0.000 0.810 26 A CB -0.431 18.553 19.000 -0.027 0.000 0.784 26 A HN 0.367 nan 8.150 nan 0.000 0.486 27 L N -1.922 119.279 121.223 -0.037 0.000 2.959 27 L HA 0.425 4.765 4.340 -0.001 0.000 0.259 27 L C 1.240 178.094 176.870 -0.027 0.000 1.185 27 L CA 0.934 55.757 54.840 -0.029 0.000 0.998 27 L CB -0.155 41.883 42.059 -0.035 0.000 1.337 27 L HN 0.594 nan 8.230 nan 0.000 0.555 28 G N -0.053 108.730 108.800 -0.028 0.000 2.157 28 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.248 28 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.248 28 G C 0.160 175.045 174.900 -0.025 0.000 0.979 28 G CA 0.402 45.488 45.100 -0.023 0.000 0.650 28 G HN 0.282 nan 8.290 nan 0.000 0.529 29 L N 0.619 121.821 121.223 -0.034 0.000 2.325 29 L HA 0.484 4.823 4.340 -0.001 0.000 0.279 29 L C -0.174 176.681 176.870 -0.024 0.000 1.054 29 L CA -1.147 53.674 54.840 -0.032 0.000 0.804 29 L CB 1.155 43.186 42.059 -0.048 0.000 1.200 29 L HN -0.010 nan 8.230 nan 0.000 0.436 30 N N 2.792 121.483 118.700 -0.014 0.000 2.426 30 N HA 0.401 5.141 4.740 -0.001 0.000 0.275 30 N C -0.740 174.780 175.510 0.017 0.000 1.019 30 N CA -0.550 52.495 53.050 -0.007 0.000 0.941 30 N CB 1.691 40.173 38.487 -0.007 0.000 1.123 30 N HN 0.252 nan 8.380 nan 0.000 0.486 31 L N 1.702 122.937 121.223 0.019 0.000 2.349 31 L HA 0.411 4.751 4.340 -0.001 0.000 0.275 31 L C 0.167 177.070 176.870 0.055 0.000 1.115 31 L CA -0.326 54.554 54.840 0.067 0.000 0.820 31 L CB 0.696 42.730 42.059 -0.042 0.000 1.135 31 L HN 0.168 nan 8.230 nan 0.000 0.445 32 V N 1.458 121.445 119.914 0.122 0.000 2.686 32 V HA 0.946 5.065 4.120 -0.001 0.000 0.306 32 V C -0.257 175.913 176.094 0.127 0.000 1.065 32 V CA -0.616 61.726 62.300 0.071 0.000 0.894 32 V CB 1.539 33.376 31.823 0.024 0.000 1.004 32 V HN 0.950 nan 8.190 nan 0.000 0.424 33 A N 2.630 125.492 122.820 0.071 0.000 2.587 33 A HA 0.936 5.256 4.320 -0.001 0.000 0.293 33 A C -0.152 177.460 177.584 0.047 0.000 1.087 33 A CA -0.265 51.824 52.037 0.086 0.000 0.692 33 A CB 1.911 20.949 19.000 0.064 0.000 1.291 33 A HN 1.134 nan 8.150 nan 0.000 0.407 34 S N 0.182 115.915 115.700 0.056 0.000 2.624 34 S HA 0.509 4.978 4.470 -0.001 0.000 0.263 34 S C 1.468 176.095 174.600 0.045 0.000 1.287 34 S CA 0.008 58.236 58.200 0.047 0.000 0.990 34 S CB 0.616 63.848 63.200 0.054 0.000 0.950 34 S HN 2.004 nan 8.310 nan 0.000 0.561 35 G N 1.186 110.014 108.800 0.047 0.000 2.839 35 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.221 35 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.221 35 G C 1.420 176.343 174.900 0.038 0.000 1.271 35 G CA 1.147 46.272 45.100 0.041 0.000 0.789 35 G HN 1.108 nan 8.290 nan 0.000 0.659 36 G N -0.462 108.368 108.800 0.051 0.000 2.446 36 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.217 36 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.217 36 G C 1.905 176.827 174.900 0.037 0.000 1.168 36 G CA 2.043 47.171 45.100 0.047 0.000 0.771 36 G HN 0.476 nan 8.290 nan 0.000 0.551 37 T N 1.655 116.237 114.554 0.047 0.000 2.788 37 T HA 0.021 4.371 4.350 -0.001 0.000 0.268 37 T C 2.788 177.484 174.700 -0.008 0.000 1.044 37 T CA 1.533 63.654 62.100 0.034 0.000 1.139 37 T CB -0.365 68.546 68.868 0.072 0.000 0.867 37 T HN 0.397 nan 8.240 nan 0.000 0.454 38 A N 1.661 124.480 122.820 -0.001 0.000 1.902 38 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 38 A C 2.239 179.804 177.584 -0.031 0.000 1.181 38 A CA 1.894 53.916 52.037 -0.025 0.000 0.623 38 A CB -0.537 18.458 19.000 -0.008 0.000 0.818 38 A HN 0.482 nan 8.150 nan 0.000 0.443 39 K N -0.277 120.115 120.400 -0.013 0.000 2.097 39 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 39 K C 2.126 178.713 176.600 -0.022 0.000 1.049 39 K CA 1.163 57.441 56.287 -0.014 0.000 0.933 39 K CB -0.340 32.159 32.500 -0.002 0.000 0.717 39 K HN 0.350 nan 8.250 nan 0.000 0.442 40 A N 1.362 124.170 122.820 -0.020 0.000 1.908 40 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 40 A C 2.087 179.641 177.584 -0.051 0.000 1.181 40 A CA 1.466 53.488 52.037 -0.025 0.000 0.627 40 A CB -0.574 18.418 19.000 -0.014 0.000 0.818 40 A HN 0.329 nan 8.150 nan 0.000 0.445 41 L N -1.682 119.492 121.223 -0.081 0.000 2.072 41 L HA -0.097 4.242 4.340 -0.001 0.000 0.205 41 L C 2.804 179.623 176.870 -0.086 0.000 1.079 41 L CA 1.211 55.981 54.840 -0.117 0.000 0.752 41 L CB -0.456 41.491 42.059 -0.186 0.000 0.906 41 L HN 0.291 nan 8.230 nan 0.000 0.436 42 R N 0.189 120.650 120.500 -0.066 0.000 2.105 42 R HA -0.158 4.181 4.340 -0.001 0.000 0.239 42 R C 1.691 177.967 176.300 -0.040 0.000 1.135 42 R CA 1.505 57.575 56.100 -0.050 0.000 0.967 42 R CB -0.290 29.988 30.300 -0.037 0.000 0.861 42 R HN 0.313 nan 8.270 nan 0.000 0.442 43 D N -0.145 120.234 120.400 -0.034 0.000 2.350 43 D HA -0.063 4.576 4.640 -0.001 0.000 0.216 43 D C 1.004 177.287 176.300 -0.028 0.000 0.968 43 D CA 0.931 54.915 54.000 -0.026 0.000 0.894 43 D CB 0.145 40.934 40.800 -0.019 0.000 0.909 43 D HN 0.275 nan 8.370 nan 0.000 0.520 44 A N -0.527 122.270 122.820 -0.039 0.000 2.348 44 A HA 0.496 4.815 4.320 -0.001 0.000 0.224 44 A C 1.608 179.165 177.584 -0.043 0.000 1.227 44 A CA 0.582 52.595 52.037 -0.040 0.000 0.885 44 A CB 0.024 18.994 19.000 -0.051 0.000 0.933 44 A HN 0.154 nan 8.150 nan 0.000 0.506 45 G N -0.660 108.114 108.800 -0.043 0.000 2.137 45 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.237 45 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.237 45 G C -0.074 174.795 174.900 -0.052 0.000 1.002 45 G CA 0.358 45.433 45.100 -0.041 0.000 0.702 45 G HN 0.450 nan 8.290 nan 0.000 0.515 46 L N 0.251 121.432 121.223 -0.069 0.000 2.322 46 L HA 0.758 5.098 4.340 -0.001 0.000 0.279 46 L C 0.967 177.790 176.870 -0.077 0.000 1.036 46 L CA -0.665 54.124 54.840 -0.084 0.000 0.807 46 L CB 1.785 43.769 42.059 -0.126 0.000 1.226 46 L HN 0.279 nan 8.230 nan 0.000 0.433 47 A N 2.863 125.641 122.820 -0.069 0.000 2.409 47 A HA 0.548 4.867 4.320 -0.001 0.000 0.262 47 A C -0.493 177.051 177.584 -0.067 0.000 1.113 47 A CA -0.173 51.830 52.037 -0.056 0.000 0.790 47 A CB 0.829 19.803 19.000 -0.045 0.000 1.046 47 A HN 0.493 nan 8.150 nan 0.000 0.496 48 V N 3.948 123.828 119.914 -0.056 0.000 3.048 48 V HA 0.609 4.728 4.120 -0.001 0.000 0.303 48 V C -0.827 175.248 176.094 -0.032 0.000 1.214 48 V CA -0.841 61.427 62.300 -0.054 0.000 0.984 48 V CB 2.167 33.940 31.823 -0.082 0.000 1.054 48 V HN 1.058 nan 8.190 nan 0.000 0.430 49 R N 3.300 123.788 120.500 -0.019 0.000 2.532 49 R HA 0.559 4.898 4.340 -0.001 0.000 0.295 49 R C -1.197 175.099 176.300 -0.008 0.000 0.968 49 R CA -0.733 55.359 56.100 -0.013 0.000 0.916 49 R CB 1.502 31.796 30.300 -0.010 0.000 1.124 49 R HN 0.722 nan 8.270 nan 0.000 0.463 50 D N 0.488 120.883 120.400 -0.008 0.000 2.345 50 D HA 0.015 4.654 4.640 -0.001 0.000 0.247 50 D C 1.114 177.409 176.300 -0.009 0.000 1.108 50 D CA -0.048 53.950 54.000 -0.003 0.000 0.894 50 D CB 1.493 42.292 40.800 -0.002 0.000 1.203 50 D HN 0.143 nan 8.370 nan 0.000 0.430 51 V N 2.074 121.984 119.914 -0.006 0.000 2.469 51 V HA -0.266 3.853 4.120 -0.001 0.000 0.251 51 V C 2.209 178.283 176.094 -0.034 0.000 1.064 51 V CA 2.216 64.501 62.300 -0.024 0.000 1.066 51 V CB -0.627 31.185 31.823 -0.018 0.000 0.667 51 V HN 0.726 nan 8.190 nan 0.000 0.461 52 S N -0.166 115.527 115.700 -0.012 0.000 2.440 52 S HA -0.256 4.213 4.470 -0.001 0.000 0.238 52 S C 1.662 176.244 174.600 -0.029 0.000 1.010 52 S CA 1.647 59.842 58.200 -0.008 0.000 0.972 52 S CB -0.478 62.729 63.200 0.010 0.000 0.774 52 S HN 0.767 nan 8.310 nan 0.000 0.501 53 E N 0.477 120.661 120.200 -0.027 0.000 2.216 53 E HA 0.067 4.416 4.350 -0.001 0.000 0.192 53 E C 1.463 178.046 176.600 -0.028 0.000 0.988 53 E CA 0.655 57.041 56.400 -0.024 0.000 0.834 53 E CB -0.154 29.536 29.700 -0.015 0.000 0.772 53 E HN 0.402 nan 8.360 nan 0.000 0.479 54 L N 0.034 121.225 121.223 -0.052 0.000 2.307 54 L HA -0.035 4.304 4.340 -0.001 0.000 0.211 54 L C 2.477 179.272 176.870 -0.126 0.000 1.099 54 L CA 1.390 56.189 54.840 -0.067 0.000 0.816 54 L CB -0.175 41.822 42.059 -0.104 0.000 0.952 54 L HN 0.187 nan 8.230 nan 0.000 0.455 55 T N -5.089 109.348 114.554 -0.195 0.000 3.039 55 T HA 0.290 4.639 4.350 -0.001 0.000 0.250 55 T C 1.615 176.187 174.700 -0.214 0.000 1.052 55 T CA 0.607 62.436 62.100 -0.452 0.000 1.125 55 T CB 0.246 68.817 68.868 -0.495 0.000 0.908 55 T HN 0.292 nan 8.240 nan 0.000 0.473 56 G N 0.909 109.659 108.800 -0.083 0.000 2.176 56 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.253 56 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.253 56 G C -0.173 174.584 174.900 -0.238 0.000 0.979 56 G CA -0.068 44.963 45.100 -0.116 0.000 0.641 56 G HN 0.550 nan 8.290 nan 0.000 0.530 57 F N 1.266 121.160 119.950 -0.094 0.000 2.449 57 F HA 0.571 5.097 4.527 -0.001 0.000 0.342 57 F C -1.908 173.879 175.800 -0.022 0.000 1.127 57 F CA -2.335 55.647 58.000 -0.030 0.000 0.975 57 F CB 2.124 41.127 39.000 0.005 0.000 1.146 57 F HN -0.165 nan 8.300 nan 0.000 0.444 58 P HA 0.131 nan 4.420 nan 0.000 0.274 58 P C -0.759 176.611 177.300 0.117 0.000 1.237 58 P CA -0.546 62.605 63.100 0.085 0.000 0.793 58 P CB 0.580 32.309 31.700 0.048 0.000 0.977 59 E N 1.655 121.907 120.200 0.086 0.000 2.414 59 E HA 0.181 4.530 4.350 -0.001 0.000 0.263 59 E C 0.134 176.787 176.600 0.089 0.000 1.000 59 E CA 0.370 56.822 56.400 0.087 0.000 0.914 59 E CB 0.191 29.935 29.700 0.073 0.000 0.948 59 E HN 0.428 nan 8.360 nan 0.000 0.444 60 M N 0.077 119.733 119.600 0.094 0.000 2.704 60 M HA 0.410 4.890 4.480 -0.001 0.000 0.284 60 M C -0.604 175.742 176.300 0.077 0.000 1.275 60 M CA -0.907 54.445 55.300 0.087 0.000 0.811 60 M CB 1.433 34.098 32.600 0.107 0.000 1.741 60 M HN 0.485 nan 8.290 nan 0.000 0.458 61 L N 0.569 121.833 121.223 0.068 0.000 3.678 61 L HA -0.204 4.135 4.340 -0.001 0.000 0.425 61 L C 0.758 177.665 176.870 0.060 0.000 1.240 61 L CA 0.856 55.733 54.840 0.061 0.000 0.876 61 L CB -2.578 39.519 42.059 0.064 0.000 1.766 61 L HN 1.329 nan 8.230 nan 0.000 0.917 62 G N -0.823 108.010 108.800 0.054 0.000 2.273 62 G HA2 0.059 4.018 3.960 -0.001 0.000 0.280 62 G HA3 0.059 4.018 3.960 -0.001 0.000 0.280 62 G C 1.145 176.081 174.900 0.061 0.000 1.047 62 G CA 0.720 45.848 45.100 0.047 0.000 0.869 62 G HN 1.974 nan 8.290 nan 0.000 0.502 63 G N -1.408 107.441 108.800 0.082 0.000 2.159 63 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.256 63 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.256 63 G C 1.176 176.172 174.900 0.161 0.000 0.977 63 G CA 1.231 46.404 45.100 0.121 0.000 0.652 63 G HN 0.896 nan 8.290 nan 0.000 0.531 64 R N -0.903 119.674 120.500 0.129 0.000 2.148 64 R HA 0.208 4.547 4.340 -0.001 0.000 0.223 64 R C 0.497 176.864 176.300 0.112 0.000 1.088 64 R CA 1.367 57.551 56.100 0.139 0.000 0.985 64 R CB 0.242 30.606 30.300 0.107 0.000 0.880 64 R HN 0.357 nan 8.270 nan 0.000 0.451 65 V N 1.279 121.248 119.914 0.091 0.000 2.447 65 V HA 0.198 4.317 4.120 -0.001 0.000 0.292 65 V C -0.024 176.114 176.094 0.073 0.000 1.021 65 V CA -0.445 61.895 62.300 0.067 0.000 0.850 65 V CB 1.711 33.560 31.823 0.043 0.000 1.005 65 V HN 0.165 nan 8.190 nan 0.000 0.426 66 K N 1.591 122.032 120.400 0.068 0.000 2.556 66 K HA 0.123 4.443 4.320 -0.001 0.000 0.201 66 K C 1.193 177.821 176.600 0.047 0.000 1.423 66 K CA 0.801 57.128 56.287 0.066 0.000 1.010 66 K CB 1.136 33.680 32.500 0.074 0.000 1.409 66 K HN 0.690 nan 8.250 nan 0.000 0.538 67 T N -1.190 113.391 114.554 0.046 0.000 3.091 67 T HA 0.329 4.678 4.350 -0.001 0.000 0.277 67 T C 0.458 175.216 174.700 0.098 0.000 0.996 67 T CA -0.376 61.745 62.100 0.035 0.000 0.897 67 T CB -0.027 68.843 68.868 0.003 0.000 1.109 67 T HN -0.084 nan 8.240 nan 0.000 0.534 68 L N 3.323 124.609 121.223 0.105 0.000 2.391 68 L HA 0.410 4.749 4.340 -0.001 0.000 0.249 68 L C 0.182 177.110 176.870 0.097 0.000 1.308 68 L CA -0.263 54.652 54.840 0.125 0.000 1.209 68 L CB -0.526 41.552 42.059 0.032 0.000 1.401 68 L HN 0.428 nan 8.230 nan 0.000 0.416 69 H N 1.427 120.518 119.070 0.035 0.000 2.961 69 H HA 0.273 4.828 4.556 -0.001 0.000 0.371 69 H C -2.388 172.932 175.328 -0.013 0.000 1.190 69 H CA -1.599 54.421 56.048 -0.046 0.000 1.138 69 H CB 3.012 32.716 29.762 -0.096 0.000 1.816 69 H HN -0.059 nan 8.280 nan 0.000 0.551 70 P HA -0.081 nan 4.420 nan 0.000 0.218 70 P C 1.122 178.316 177.300 -0.176 0.000 1.148 70 P CA 2.042 65.092 63.100 -0.083 0.000 0.822 70 P CB 0.064 31.740 31.700 -0.040 0.000 0.784 71 A N -0.694 121.994 122.820 -0.219 0.000 1.940 71 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 71 A C 2.292 179.566 177.584 -0.517 0.000 1.176 71 A CA 1.923 53.350 52.037 -1.017 0.000 0.631 71 A CB -1.633 16.956 19.000 -0.684 0.000 0.814 71 A HN 0.055 nan 8.150 nan 0.000 0.446 72 V N -0.763 118.987 119.914 -0.274 0.000 2.273 72 V HA -0.168 3.951 4.120 -0.001 0.000 0.242 72 V C 2.408 178.249 176.094 -0.421 0.000 1.035 72 V CA 1.861 63.957 62.300 -0.340 0.000 1.013 72 V CB -0.964 30.635 31.823 -0.372 0.000 0.652 72 V HN 0.655 nan 8.190 nan 0.000 0.452 73 H N 0.094 119.120 119.070 -0.075 0.000 2.428 73 H HA 0.050 4.605 4.556 -0.001 0.000 0.296 73 H C 2.319 177.629 175.328 -0.031 0.000 1.062 73 H CA 1.487 57.505 56.048 -0.049 0.000 1.350 73 H CB -0.252 29.487 29.762 -0.038 0.000 1.403 73 H HN 0.451 nan 8.280 nan 0.000 0.533 74 A N 0.854 123.693 122.820 0.031 0.000 1.969 74 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 74 A C 2.806 180.411 177.584 0.034 0.000 1.169 74 A CA 1.341 53.425 52.037 0.077 0.000 0.635 74 A CB -0.988 18.130 19.000 0.197 0.000 0.810 74 A HN 0.443 nan 8.150 nan 0.000 0.445 75 G N -0.081 108.687 108.800 -0.054 0.000 2.432 75 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.219 75 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.219 75 G C 1.460 176.333 174.900 -0.046 0.000 1.135 75 G CA 1.217 46.283 45.100 -0.055 0.000 0.767 75 G HN 0.500 nan 8.290 nan 0.000 0.550 76 I N -0.343 120.192 120.570 -0.060 0.000 2.585 76 I HA 0.117 4.286 4.170 -0.001 0.000 0.254 76 I C 2.308 178.428 176.117 0.005 0.000 1.129 76 I CA 0.390 61.667 61.300 -0.039 0.000 1.455 76 I CB 0.067 38.035 38.000 -0.054 0.000 1.111 76 I HN 0.074 nan 8.210 nan 0.000 0.433 77 L N 0.624 121.867 121.223 0.032 0.000 2.446 77 L HA 0.214 4.553 4.340 -0.001 0.000 0.219 77 L C 1.376 178.266 176.870 0.033 0.000 1.116 77 L CA -0.345 54.521 54.840 0.043 0.000 0.844 77 L CB -0.266 41.833 42.059 0.066 0.000 0.970 77 L HN 0.089 nan 8.230 nan 0.000 0.457 78 A N 0.969 123.810 122.820 0.036 0.000 2.498 78 A HA 0.304 4.623 4.320 -0.001 0.000 0.239 78 A C 0.271 177.865 177.584 0.018 0.000 1.068 78 A CA 0.239 52.298 52.037 0.036 0.000 0.766 78 A CB 0.162 19.192 19.000 0.050 0.000 1.003 78 A HN 0.291 nan 8.150 nan 0.000 0.497 79 R N 0.665 121.174 120.500 0.014 0.000 2.902 79 R HA 0.309 4.648 4.340 -0.001 0.000 0.258 79 R C -0.310 175.992 176.300 0.004 0.000 1.071 79 R CA -0.983 55.118 56.100 0.002 0.000 1.024 79 R CB 0.832 31.130 30.300 -0.003 0.000 1.184 79 R HN 0.766 nan 8.270 nan 0.000 0.492 80 N N 2.676 121.375 118.700 -0.002 0.000 2.807 80 N HA 0.165 4.904 4.740 -0.001 0.000 0.259 80 N C -1.054 174.457 175.510 0.001 0.000 1.149 80 N CA 0.099 53.150 53.050 0.001 0.000 1.042 80 N CB -0.261 38.225 38.487 -0.002 0.000 1.367 80 N HN 0.423 nan 8.380 nan 0.000 0.516 81 I N -1.272 119.300 120.570 0.004 0.000 3.006 81 I HA 0.495 4.664 4.170 -0.001 0.000 0.306 81 I C -2.299 173.821 176.117 0.005 0.000 1.250 81 I CA -2.311 58.992 61.300 0.003 0.000 0.996 81 I CB 2.036 40.038 38.000 0.003 0.000 1.261 81 I HN -0.127 nan 8.210 nan 0.000 0.442 82 P HA -0.268 nan 4.420 nan 0.000 0.210 82 P C 1.255 178.557 177.300 0.004 0.000 1.151 82 P CA 2.301 65.403 63.100 0.003 0.000 0.949 82 P CB -0.079 31.622 31.700 0.002 0.000 0.786 83 E N -0.175 120.027 120.200 0.004 0.000 2.114 83 E HA -0.255 4.094 4.350 -0.001 0.000 0.199 83 E C 1.591 178.196 176.600 0.008 0.000 1.008 83 E CA 1.907 58.310 56.400 0.004 0.000 0.810 83 E CB -1.606 28.097 29.700 0.005 0.000 0.739 83 E HN 0.285 nan 8.360 nan 0.000 0.456 84 D N 1.074 121.481 120.400 0.012 0.000 2.097 84 D HA -0.082 4.558 4.640 -0.001 0.000 0.197 84 D C 1.780 178.092 176.300 0.020 0.000 0.984 84 D CA 1.009 55.021 54.000 0.020 0.000 0.826 84 D CB -0.353 40.460 40.800 0.020 0.000 0.973 84 D HN 0.150 nan 8.370 nan 0.000 0.460 85 N N 0.501 119.210 118.700 0.014 0.000 2.149 85 N HA -0.139 4.600 4.740 -0.001 0.000 0.188 85 N C 1.662 177.176 175.510 0.007 0.000 1.019 85 N CA 1.202 54.260 53.050 0.013 0.000 0.857 85 N CB -0.211 38.282 38.487 0.008 0.000 0.997 85 N HN 0.137 nan 8.380 nan 0.000 0.426 86 A N 1.423 124.245 122.820 0.002 0.000 1.873 86 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 86 A C 1.837 179.412 177.584 -0.014 0.000 1.186 86 A CA 1.457 53.490 52.037 -0.006 0.000 0.616 86 A CB -0.360 18.636 19.000 -0.006 0.000 0.823 86 A HN 0.085 nan 8.150 nan 0.000 0.442 87 D N -0.351 120.045 120.400 -0.007 0.000 2.117 87 D HA -0.137 4.503 4.640 -0.001 0.000 0.197 87 D C 1.937 178.219 176.300 -0.031 0.000 0.987 87 D CA 1.197 55.189 54.000 -0.014 0.000 0.829 87 D CB -0.290 40.516 40.800 0.010 0.000 0.961 87 D HN 0.261 nan 8.370 nan 0.000 0.460 88 M N 0.296 119.899 119.600 0.005 0.000 2.229 88 M HA 0.011 4.490 4.480 -0.001 0.000 0.264 88 M C 2.186 178.469 176.300 -0.030 0.000 1.063 88 M CA 0.585 55.899 55.300 0.024 0.000 1.114 88 M CB -0.957 31.689 32.600 0.076 0.000 1.387 88 M HN -0.034 nan 8.290 nan 0.000 0.420 89 A N 1.334 124.136 122.820 -0.030 0.000 1.872 89 A HA -0.169 4.151 4.320 -0.001 0.000 0.214 89 A C 2.222 179.762 177.584 -0.074 0.000 1.187 89 A CA 1.503 53.518 52.037 -0.036 0.000 0.614 89 A CB -0.565 18.422 19.000 -0.021 0.000 0.826 89 A HN 0.596 nan 8.150 nan 0.000 0.442 90 R N -0.850 119.599 120.500 -0.085 0.000 2.148 90 R HA 0.068 4.407 4.340 -0.001 0.000 0.227 90 R C 1.249 177.441 176.300 -0.180 0.000 1.103 90 R CA 1.228 57.266 56.100 -0.102 0.000 0.983 90 R CB -0.374 29.878 30.300 -0.080 0.000 0.874 90 R HN 0.347 nan 8.270 nan 0.000 0.451 91 L N 1.052 122.097 121.223 -0.296 0.000 2.529 91 L HA 0.059 4.398 4.340 -0.001 0.000 0.223 91 L C -0.078 176.396 176.870 -0.660 0.000 1.113 91 L CA 0.836 55.304 54.840 -0.619 0.000 0.861 91 L CB -0.856 40.594 42.059 -1.014 0.000 1.012 91 L HN 0.271 nan 8.230 nan 0.000 0.461 92 D N -0.144 120.077 120.400 -0.297 0.000 2.699 92 D HA -0.262 4.378 4.640 -0.001 0.000 0.239 92 D C -0.707 175.647 176.300 0.090 0.000 1.136 92 D CA 0.390 54.334 54.000 -0.092 0.000 0.668 92 D CB -0.793 39.976 40.800 -0.052 0.000 1.060 92 D HN -0.065 nan 8.370 nan 0.000 0.429 93 F N -0.206 119.758 119.950 0.023 0.000 2.436 93 F HA 0.542 5.068 4.527 -0.001 0.000 0.340 93 F C 1.300 177.107 175.800 0.012 0.000 1.113 93 F CA -0.752 57.263 58.000 0.024 0.000 1.022 93 F CB 0.436 39.456 39.000 0.033 0.000 1.128 93 F HN 0.106 nan 8.300 nan 0.000 0.466 94 N N 3.157 121.971 118.700 0.190 0.000 2.463 94 N HA 0.688 5.427 4.740 -0.001 0.000 0.270 94 N C -0.480 175.063 175.510 0.055 0.000 1.205 94 N CA -0.675 52.429 53.050 0.090 0.000 0.974 94 N CB 0.634 39.151 38.487 0.051 0.000 1.197 94 N HN 0.592 nan 8.380 nan 0.000 0.504 95 L N 0.439 121.680 121.223 0.031 0.000 2.350 95 L HA 0.485 4.824 4.340 -0.001 0.000 0.275 95 L C -0.021 176.837 176.870 -0.020 0.000 1.099 95 L CA -0.369 54.476 54.840 0.008 0.000 0.808 95 L CB 0.984 43.049 42.059 0.009 0.000 1.149 95 L HN 0.593 nan 8.230 nan 0.000 0.442 96 I N 2.748 123.294 120.570 -0.041 0.000 2.321 96 I HA 0.241 4.410 4.170 -0.001 0.000 0.291 96 I C 0.897 176.979 176.117 -0.059 0.000 0.998 96 I CA -0.172 61.089 61.300 -0.064 0.000 1.227 96 I CB 1.722 39.665 38.000 -0.095 0.000 1.368 96 I HN 0.656 nan 8.210 nan 0.000 0.466 97 R N 4.553 125.015 120.500 -0.062 0.000 2.206 97 R HA 0.286 4.625 4.340 -0.001 0.000 0.198 97 R C -0.434 175.827 176.300 -0.065 0.000 0.986 97 R CA 0.542 56.611 56.100 -0.052 0.000 1.029 97 R CB 0.665 30.941 30.300 -0.040 0.000 0.966 97 R HN 0.488 nan 8.270 nan 0.000 0.487 98 V N 1.070 120.919 119.914 -0.108 0.000 2.709 98 V HA 0.426 4.546 4.120 -0.001 0.000 0.308 98 V C -1.062 174.905 176.094 -0.212 0.000 1.062 98 V CA -0.904 61.315 62.300 -0.135 0.000 0.901 98 V CB 2.154 33.874 31.823 -0.170 0.000 1.003 98 V HN -0.220 nan 8.190 nan 0.000 0.425 99 V N 3.280 123.091 119.914 -0.172 0.000 2.482 99 V HA 0.774 4.893 4.120 -0.001 0.000 0.295 99 V C 0.076 176.073 176.094 -0.162 0.000 1.026 99 V CA -0.468 61.713 62.300 -0.199 0.000 0.856 99 V CB 1.771 33.511 31.823 -0.138 0.000 1.001 99 V HN 1.017 nan 8.190 nan 0.000 0.424 100 A N 4.009 126.690 122.820 -0.232 0.000 2.273 100 A HA 0.769 5.088 4.320 -0.001 0.000 0.315 100 A C -0.538 177.040 177.584 -0.009 0.000 1.256 100 A CA -0.408 51.603 52.037 -0.043 0.000 0.851 100 A CB 0.987 19.993 19.000 0.010 0.000 1.172 100 A HN 1.030 nan 8.150 nan 0.000 0.508 101 C N 3.779 123.070 119.300 -0.016 0.000 2.701 101 C HA 0.744 5.204 4.460 -0.001 0.000 0.336 101 C C -1.453 173.491 174.990 -0.077 0.000 1.123 101 C CA -0.775 58.220 59.018 -0.039 0.000 1.326 101 C CB 1.127 28.815 27.740 -0.086 0.000 1.833 101 C HN 0.909 nan 8.230 nan 0.000 0.473 102 N N 3.849 122.523 118.700 -0.042 0.000 2.265 102 N HA 0.721 5.460 4.740 -0.001 0.000 0.300 102 N C -1.110 174.371 175.510 -0.048 0.000 1.148 102 N CA -0.369 52.657 53.050 -0.039 0.000 0.772 102 N CB 1.848 40.348 38.487 0.023 0.000 1.434 102 N HN 0.668 nan 8.380 nan 0.000 0.481 103 L N 0.761 121.959 121.223 -0.043 0.000 2.358 103 L HA 0.468 4.807 4.340 -0.001 0.000 0.268 103 L C -0.152 176.761 176.870 0.072 0.000 1.032 103 L CA -1.030 53.724 54.840 -0.143 0.000 0.805 103 L CB 0.286 42.066 42.059 -0.465 0.000 1.253 103 L HN 0.335 nan 8.230 nan 0.000 0.452 104 Y N 1.556 121.912 120.300 0.092 0.000 2.811 104 Y HA -0.002 4.547 4.550 -0.001 0.000 0.334 104 Y C -1.576 174.467 175.900 0.238 0.000 1.247 104 Y CA -2.202 55.993 58.100 0.158 0.000 1.526 104 Y CB -0.628 37.945 38.460 0.188 0.000 1.284 104 Y HN 0.302 nan 8.280 nan 0.000 0.586 105 P HA -0.089 nan 4.420 nan 0.000 0.238 105 P C 0.760 178.169 177.300 0.181 0.000 1.729 105 P CA 0.370 63.602 63.100 0.219 0.000 1.055 105 P CB -0.742 31.026 31.700 0.113 0.000 1.980 106 F N 2.540 122.563 119.950 0.122 0.000 2.075 106 F HA -0.220 4.306 4.527 -0.001 0.000 0.297 106 F C 2.076 177.777 175.800 -0.165 0.000 1.113 106 F CA 1.577 59.525 58.000 -0.088 0.000 1.218 106 F CB -0.511 38.314 39.000 -0.291 0.000 0.984 106 F HN -0.112 nan 8.300 nan 0.000 0.472 107 V N 0.809 120.757 119.914 0.056 0.000 2.332 107 V HA -0.335 3.784 4.120 -0.001 0.000 0.248 107 V C 2.323 178.324 176.094 -0.155 0.000 1.055 107 V CA 2.332 64.593 62.300 -0.065 0.000 1.038 107 V CB -0.748 31.100 31.823 0.043 0.000 0.651 107 V HN 0.306 nan 8.190 nan 0.000 0.450 108 K N -0.397 119.948 120.400 -0.092 0.000 2.057 108 K HA -0.117 4.203 4.320 -0.001 0.000 0.206 108 K C 2.255 178.757 176.600 -0.165 0.000 1.050 108 K CA 1.734 57.964 56.287 -0.095 0.000 0.935 108 K CB -0.461 32.016 32.500 -0.039 0.000 0.715 108 K HN 0.462 nan 8.250 nan 0.000 0.439 109 T N 1.445 115.863 114.554 -0.226 0.000 2.652 109 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 109 T C 1.963 176.434 174.700 -0.381 0.000 1.039 109 T CA 1.825 63.755 62.100 -0.283 0.000 1.153 109 T CB -0.289 68.388 68.868 -0.319 0.000 0.863 109 T HN 0.204 nan 8.240 nan 0.000 0.428 110 V N -0.034 119.512 119.914 -0.614 0.000 3.305 110 V HA 0.341 4.461 4.120 -0.001 0.000 0.269 110 V C 2.270 178.181 176.094 -0.305 0.000 1.157 110 V CA 0.916 62.854 62.300 -0.603 0.000 1.157 110 V CB -1.316 29.870 31.823 -1.061 0.000 0.772 110 V HN 0.418 nan 8.190 nan 0.000 0.498 111 A N 0.071 122.748 122.820 -0.238 0.000 2.030 111 A HA 0.215 4.534 4.320 -0.001 0.000 0.215 111 A C 1.612 179.135 177.584 -0.103 0.000 1.164 111 A CA 0.687 52.643 52.037 -0.134 0.000 0.697 111 A CB -0.408 18.529 19.000 -0.105 0.000 0.827 111 A HN 0.529 nan 8.150 nan 0.000 0.457 112 S N 1.698 117.326 115.700 -0.119 0.000 2.558 112 S HA 0.306 4.776 4.470 -0.001 0.000 0.288 112 S C -2.437 172.121 174.600 -0.069 0.000 1.318 112 S CA -0.555 57.593 58.200 -0.087 0.000 1.056 112 S CB 0.170 63.314 63.200 -0.094 0.000 0.853 112 S HN 0.228 nan 8.310 nan 0.000 0.505 113 P HA 0.189 nan 4.420 nan 0.000 0.267 113 P C 0.630 177.911 177.300 -0.032 0.000 1.205 113 P CA 0.615 63.695 63.100 -0.033 0.000 0.765 113 P CB 0.179 31.864 31.700 -0.025 0.000 0.828 114 G N 2.122 110.908 108.800 -0.024 0.000 2.323 114 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.292 114 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.292 114 G C 0.194 175.081 174.900 -0.022 0.000 1.040 114 G CA 0.005 45.095 45.100 -0.017 0.000 0.942 114 G HN 0.625 nan 8.290 nan 0.000 0.506 115 V N 0.893 120.786 119.914 -0.035 0.000 2.686 115 V HA 0.758 4.877 4.120 -0.001 0.000 0.295 115 V C 1.089 177.177 176.094 -0.010 0.000 1.055 115 V CA 0.659 62.928 62.300 -0.052 0.000 1.050 115 V CB 1.430 33.183 31.823 -0.118 0.000 0.984 115 V HN 1.059 nan 8.190 nan 0.000 0.482 116 T N 2.932 117.485 114.554 -0.003 0.000 2.945 116 T HA 0.415 4.764 4.350 -0.001 0.000 0.286 116 T C 1.018 175.768 174.700 0.083 0.000 1.025 116 T CA -0.146 61.980 62.100 0.043 0.000 1.039 116 T CB 1.570 70.460 68.868 0.038 0.000 1.068 116 T HN 0.414 nan 8.240 nan 0.000 0.497 117 V N 1.642 121.648 119.914 0.153 0.000 2.282 117 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 117 V C 2.724 178.936 176.094 0.196 0.000 1.057 117 V CA 2.248 64.697 62.300 0.248 0.000 1.032 117 V CB -1.096 30.894 31.823 0.279 0.000 0.645 117 V HN 0.897 nan 8.190 nan 0.000 0.447 118 E N 0.222 120.505 120.200 0.138 0.000 2.058 118 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 118 E C 2.186 178.826 176.600 0.067 0.000 0.997 118 E CA 1.712 58.175 56.400 0.106 0.000 0.801 118 E CB -0.343 29.401 29.700 0.074 0.000 0.746 118 E HN 0.718 nan 8.360 nan 0.000 0.450 119 E N 0.190 120.404 120.200 0.024 0.000 2.051 119 E HA -0.153 4.197 4.350 -0.001 0.000 0.192 119 E C 2.073 178.636 176.600 -0.062 0.000 0.991 119 E CA 0.994 57.378 56.400 -0.026 0.000 0.799 119 E CB -0.215 29.453 29.700 -0.053 0.000 0.748 119 E HN 0.275 nan 8.360 nan 0.000 0.449 120 A N 1.110 123.861 122.820 -0.114 0.000 1.865 120 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 120 A C 2.555 180.156 177.584 0.028 0.000 1.191 120 A CA 1.457 53.333 52.037 -0.268 0.000 0.623 120 A CB -0.942 17.703 19.000 -0.591 0.000 0.826 120 A HN 0.132 nan 8.150 nan 0.000 0.444 121 V N 0.058 120.068 119.914 0.159 0.000 2.324 121 V HA -0.260 3.860 4.120 -0.001 0.000 0.250 121 V C 2.525 178.736 176.094 0.195 0.000 1.060 121 V CA 2.468 64.928 62.300 0.267 0.000 1.042 121 V CB -0.749 31.246 31.823 0.286 0.000 0.650 121 V HN 0.647 nan 8.190 nan 0.000 0.450 122 E N -0.305 119.962 120.200 0.112 0.000 2.409 122 E HA -0.125 4.224 4.350 -0.001 0.000 0.198 122 E C 1.844 178.466 176.600 0.036 0.000 1.024 122 E CA 0.548 56.984 56.400 0.062 0.000 0.861 122 E CB -0.051 29.650 29.700 0.003 0.000 0.788 122 E HN 0.520 nan 8.360 nan 0.000 0.521 123 Q N -0.359 119.504 119.800 0.105 0.000 2.204 123 Q HA 0.211 4.551 4.340 -0.001 0.000 0.209 123 Q C -0.218 176.049 176.000 0.446 0.000 0.861 123 Q CA -0.046 55.862 55.803 0.175 0.000 0.971 123 Q CB 0.489 29.288 28.738 0.101 0.000 1.095 123 Q HN 0.315 nan 8.270 nan 0.000 0.486 124 I N 1.777 122.577 120.570 0.384 0.000 2.301 124 I HA 0.062 4.231 4.170 -0.001 0.000 0.292 124 I C 0.417 176.794 176.117 0.433 0.000 1.046 124 I CA -0.400 61.086 61.300 0.311 0.000 1.282 124 I CB 0.652 38.746 38.000 0.157 0.000 1.409 124 I HN -0.148 nan 8.210 nan 0.000 0.484 125 D N 7.010 127.704 120.400 0.489 0.000 2.383 125 D HA 0.077 4.717 4.640 -0.001 0.000 0.252 125 D C 0.568 176.921 176.300 0.088 0.000 1.166 125 D CA 0.048 54.121 54.000 0.123 0.000 0.879 125 D CB 1.314 42.000 40.800 -0.190 0.000 1.164 125 D HN 0.330 nan 8.370 nan 0.000 0.462 126 I N 3.203 123.794 120.570 0.035 0.000 3.196 126 I HA 0.032 4.201 4.170 -0.001 0.000 0.248 126 I C 2.389 178.495 176.117 -0.019 0.000 1.105 126 I CA 0.455 61.776 61.300 0.035 0.000 1.482 126 I CB -1.409 36.630 38.000 0.064 0.000 1.400 126 I HN 0.529 nan 8.210 nan 0.000 0.464 127 G N 0.991 109.775 108.800 -0.028 0.000 2.442 127 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.219 127 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.219 127 G C 1.657 176.531 174.900 -0.043 0.000 1.141 127 G CA 0.978 46.070 45.100 -0.014 0.000 0.763 127 G HN 0.484 nan 8.290 nan 0.000 0.554 128 G N 0.310 109.027 108.800 -0.138 0.000 2.402 128 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.216 128 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.216 128 G C 1.762 176.581 174.900 -0.135 0.000 1.162 128 G CA 1.084 46.088 45.100 -0.159 0.000 0.777 128 G HN 0.313 nan 8.290 nan 0.000 0.539 129 V N 0.923 120.754 119.914 -0.138 0.000 2.343 129 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 129 V C 3.152 179.215 176.094 -0.052 0.000 1.051 129 V CA 2.350 64.588 62.300 -0.103 0.000 1.036 129 V CB -0.771 31.023 31.823 -0.047 0.000 0.654 129 V HN 0.378 nan 8.190 nan 0.000 0.451 130 T N 0.221 114.757 114.554 -0.031 0.000 2.821 130 T HA -0.077 4.272 4.350 -0.001 0.000 0.267 130 T C 1.857 176.597 174.700 0.066 0.000 1.046 130 T CA 1.295 63.384 62.100 -0.018 0.000 1.139 130 T CB -0.234 68.580 68.868 -0.091 0.000 0.871 130 T HN 0.302 nan 8.240 nan 0.000 0.454 131 L N 0.409 121.685 121.223 0.089 0.000 2.046 131 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 131 L C 2.471 179.322 176.870 -0.031 0.000 1.077 131 L CA 1.149 56.032 54.840 0.070 0.000 0.747 131 L CB -0.600 41.447 42.059 -0.021 0.000 0.896 131 L HN 0.258 nan 8.230 nan 0.000 0.432 132 L N -0.677 120.493 121.223 -0.088 0.000 2.017 132 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 132 L C 2.893 179.616 176.870 -0.246 0.000 1.073 132 L CA 1.355 56.095 54.840 -0.167 0.000 0.745 132 L CB -0.511 41.441 42.059 -0.178 0.000 0.894 132 L HN 0.230 nan 8.230 nan 0.000 0.432 133 R N -0.074 120.312 120.500 -0.191 0.000 2.081 133 R HA -0.128 4.212 4.340 -0.001 0.000 0.235 133 R C 2.415 178.659 176.300 -0.092 0.000 1.131 133 R CA 1.337 57.310 56.100 -0.213 0.000 0.960 133 R CB -0.501 29.833 30.300 0.056 0.000 0.856 133 R HN 0.347 nan 8.270 nan 0.000 0.436 134 A N 1.371 124.189 122.820 -0.004 0.000 1.902 134 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 134 A C 2.389 179.985 177.584 0.020 0.000 1.181 134 A CA 1.640 53.711 52.037 0.058 0.000 0.623 134 A CB -0.601 18.492 19.000 0.155 0.000 0.818 134 A HN 0.391 nan 8.150 nan 0.000 0.443 135 A N -0.204 122.595 122.820 -0.035 0.000 1.898 135 A HA 0.196 4.515 4.320 -0.001 0.000 0.216 135 A C 2.488 180.043 177.584 -0.048 0.000 1.181 135 A CA 1.993 54.001 52.037 -0.048 0.000 0.620 135 A CB -0.949 18.003 19.000 -0.081 0.000 0.819 135 A HN 1.017 nan 8.150 nan 0.000 0.442 136 A N -0.037 122.679 122.820 -0.174 0.000 1.898 136 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 136 A C 2.129 179.799 177.584 0.144 0.000 1.181 136 A CA 1.946 53.858 52.037 -0.208 0.000 0.620 136 A CB -0.449 18.028 19.000 -0.872 0.000 0.819 136 A HN 0.575 nan 8.150 nan 0.000 0.442 137 K N -0.475 120.037 120.400 0.186 0.000 2.057 137 K HA -0.179 4.140 4.320 -0.001 0.000 0.207 137 K C 1.031 177.758 176.600 0.211 0.000 1.049 137 K CA 1.663 58.157 56.287 0.344 0.000 0.931 137 K CB -0.153 32.515 32.500 0.281 0.000 0.714 137 K HN 0.381 nan 8.250 nan 0.000 0.440 138 N N 1.114 119.874 118.700 0.100 0.000 2.378 138 N HA -0.041 4.698 4.740 -0.001 0.000 0.243 138 N C 0.760 176.225 175.510 -0.075 0.000 1.137 138 N CA -0.136 52.909 53.050 -0.009 0.000 0.862 138 N CB -0.123 38.364 38.487 -0.001 0.000 1.116 138 N HN 0.358 nan 8.380 nan 0.000 0.499 139 H N -1.613 117.473 119.070 0.027 0.000 2.541 139 H HA -0.014 4.542 4.556 -0.001 0.000 0.289 139 H C 1.232 176.570 175.328 0.017 0.000 1.054 139 H CA 1.071 57.127 56.048 0.013 0.000 1.250 139 H CB -0.252 29.523 29.762 0.021 0.000 1.369 139 H HN 0.236 nan 8.280 nan 0.000 0.578 140 A N 1.176 123.652 122.820 -0.574 0.000 2.125 140 A HA -0.121 4.198 4.320 -0.001 0.000 0.219 140 A C 2.531 180.043 177.584 -0.120 0.000 1.156 140 A CA 1.547 53.394 52.037 -0.317 0.000 0.671 140 A CB -0.471 18.368 19.000 -0.270 0.000 0.794 140 A HN 0.520 nan 8.150 nan 0.000 0.459 141 R N -2.042 118.404 120.500 -0.090 0.000 2.428 141 R HA 0.218 4.557 4.340 -0.001 0.000 0.193 141 R C -0.543 175.745 176.300 -0.020 0.000 0.852 141 R CA 0.349 56.425 56.100 -0.040 0.000 1.055 141 R CB 0.558 30.836 30.300 -0.037 0.000 1.343 141 R HN 0.170 nan 8.270 nan 0.000 0.655 142 V N 2.209 122.112 119.914 -0.019 0.000 2.546 142 V HA 0.265 4.384 4.120 -0.001 0.000 0.284 142 V C -0.153 175.947 176.094 0.010 0.000 1.050 142 V CA -0.158 62.135 62.300 -0.011 0.000 0.981 142 V CB 1.546 33.356 31.823 -0.021 0.000 0.990 142 V HN 0.184 nan 8.190 nan 0.000 0.474 143 T N 4.473 119.028 114.554 0.001 0.000 2.733 143 T HA 0.404 4.753 4.350 -0.001 0.000 0.294 143 T C -0.420 174.275 174.700 -0.007 0.000 0.956 143 T CA -0.084 62.025 62.100 0.016 0.000 0.987 143 T CB 1.260 70.149 68.868 0.036 0.000 0.920 143 T HN 0.481 nan 8.240 nan 0.000 0.470 144 V N 5.649 125.551 119.914 -0.020 0.000 2.417 144 V HA 0.666 4.785 4.120 -0.001 0.000 0.291 144 V C -0.917 175.138 176.094 -0.064 0.000 1.024 144 V CA -0.466 61.798 62.300 -0.060 0.000 0.861 144 V CB 1.431 33.192 31.823 -0.102 0.000 0.985 144 V HN 0.683 nan 8.190 nan 0.000 0.436 145 V N 6.890 126.770 119.914 -0.057 0.000 2.409 145 V HA 0.244 4.364 4.120 -0.001 0.000 0.290 145 V C 0.665 176.684 176.094 -0.124 0.000 1.017 145 V CA -0.271 61.984 62.300 -0.075 0.000 0.841 145 V CB 1.027 32.858 31.823 0.013 0.000 1.003 145 V HN 1.087 nan 8.190 nan 0.000 0.426 146 C N 0.918 120.075 119.300 -0.239 0.000 2.926 146 C HA 0.441 4.900 4.460 -0.001 0.000 0.272 146 C C 0.505 175.282 174.990 -0.355 0.000 1.249 146 C CA -0.421 58.386 59.018 -0.353 0.000 1.691 146 C CB -0.946 26.418 27.740 -0.627 0.000 1.983 146 C HN 0.792 nan 8.230 nan 0.000 0.615 147 E N 1.715 121.714 120.200 -0.334 0.000 2.191 147 E HA 0.262 4.612 4.350 -0.001 0.000 0.263 147 E C -2.105 174.139 176.600 -0.594 0.000 0.881 147 E CA -1.772 54.423 56.400 -0.341 0.000 0.757 147 E CB 2.032 31.585 29.700 -0.243 0.000 1.147 147 E HN -0.012 nan 8.360 nan 0.000 0.414 148 P HA -0.222 nan 4.420 nan 0.000 0.216 148 P C 1.266 178.040 177.300 -0.876 0.000 1.150 148 P CA 1.583 63.981 63.100 -1.170 0.000 0.843 148 P CB 0.258 31.674 31.700 -0.474 0.000 0.787 149 E N -0.036 119.896 120.200 -0.446 0.000 2.463 149 E HA -0.212 4.138 4.350 -0.001 0.000 0.201 149 E C 1.436 177.883 176.600 -0.255 0.000 1.045 149 E CA 1.348 57.588 56.400 -0.267 0.000 0.872 149 E CB -1.371 28.229 29.700 -0.165 0.000 0.797 149 E HN 0.345 nan 8.360 nan 0.000 0.538 150 D N -1.466 118.714 120.400 -0.367 0.000 2.367 150 D HA 0.030 4.669 4.640 -0.001 0.000 0.207 150 D C 1.099 177.270 176.300 -0.214 0.000 1.034 150 D CA 0.019 53.871 54.000 -0.247 0.000 0.861 150 D CB 0.015 40.682 40.800 -0.222 0.000 0.943 150 D HN 0.505 nan 8.370 nan 0.000 0.515 151 Y N 1.292 121.367 120.300 -0.374 0.000 2.128 151 Y HA -0.197 4.353 4.550 -0.001 0.000 0.284 151 Y C 2.618 178.387 175.900 -0.218 0.000 1.154 151 Y CA 0.110 57.829 58.100 -0.635 0.000 1.149 151 Y CB -1.239 36.767 38.460 -0.757 0.000 0.976 151 Y HN -0.163 nan 8.280 nan 0.000 0.505 152 V N -0.276 119.676 119.914 0.063 0.000 2.282 152 V HA -0.309 3.810 4.120 -0.001 0.000 0.249 152 V C 2.376 178.510 176.094 0.066 0.000 1.057 152 V CA 1.970 64.318 62.300 0.080 0.000 1.032 152 V CB -1.157 30.694 31.823 0.046 0.000 0.645 152 V HN 0.314 nan 8.190 nan 0.000 0.447 153 V N -0.556 119.374 119.914 0.025 0.000 2.343 153 V HA -0.203 3.916 4.120 -0.001 0.000 0.247 153 V C 2.340 178.466 176.094 0.053 0.000 1.051 153 V CA 1.844 64.159 62.300 0.025 0.000 1.036 153 V CB -0.872 30.948 31.823 -0.004 0.000 0.654 153 V HN 0.405 nan 8.190 nan 0.000 0.451 154 V N 0.276 120.232 119.914 0.070 0.000 2.358 154 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 154 V C 2.630 178.832 176.094 0.180 0.000 1.047 154 V CA 2.174 64.548 62.300 0.124 0.000 1.035 154 V CB -0.717 31.205 31.823 0.166 0.000 0.658 154 V HN 0.545 nan 8.190 nan 0.000 0.452 155 S N 0.112 115.957 115.700 0.242 0.000 2.351 155 S HA -0.234 4.235 4.470 -0.001 0.000 0.220 155 S C 2.123 176.797 174.600 0.122 0.000 1.035 155 S CA 2.113 60.446 58.200 0.221 0.000 1.031 155 S CB -0.646 62.704 63.200 0.249 0.000 0.928 155 S HN 0.649 nan 8.310 nan 0.000 0.433 156 T N 1.609 116.223 114.554 0.100 0.000 2.760 156 T HA -0.205 4.145 4.350 -0.001 0.000 0.269 156 T C 1.799 176.532 174.700 0.055 0.000 1.047 156 T CA 1.752 63.892 62.100 0.066 0.000 1.139 156 T CB -0.321 68.579 68.868 0.053 0.000 0.855 156 T HN 0.600 nan 8.240 nan 0.000 0.471 157 E N 0.207 120.444 120.200 0.061 0.000 2.112 157 E HA -0.003 4.346 4.350 -0.001 0.000 0.190 157 E C 2.134 178.762 176.600 0.047 0.000 0.979 157 E CA 0.569 56.998 56.400 0.049 0.000 0.814 157 E CB -0.100 29.629 29.700 0.048 0.000 0.762 157 E HN 0.483 nan 8.360 nan 0.000 0.460 158 M N 0.311 119.946 119.600 0.058 0.000 2.254 158 M HA -0.107 4.372 4.480 -0.001 0.000 0.265 158 M C 2.161 178.481 176.300 0.033 0.000 1.066 158 M CA 1.275 56.602 55.300 0.045 0.000 1.123 158 M CB 0.074 32.704 32.600 0.050 0.000 1.388 158 M HN 0.091 nan 8.290 nan 0.000 0.425 159 Q N -0.537 119.286 119.800 0.038 0.000 2.123 159 Q HA -0.052 4.287 4.340 -0.001 0.000 0.199 159 Q C 2.024 178.038 176.000 0.024 0.000 0.966 159 Q CA 1.443 57.263 55.803 0.029 0.000 0.845 159 Q CB -0.020 28.738 28.738 0.034 0.000 0.907 159 Q HN 0.399 nan 8.270 nan 0.000 0.439 160 S N 0.852 116.568 115.700 0.027 0.000 2.470 160 S HA -0.009 4.460 4.470 -0.001 0.000 0.225 160 S C 0.937 175.548 174.600 0.019 0.000 1.006 160 S CA 0.226 58.439 58.200 0.022 0.000 0.934 160 S CB 0.086 63.300 63.200 0.024 0.000 0.778 160 S HN 0.419 nan 8.310 nan 0.000 0.517 161 S N 1.362 117.074 115.700 0.021 0.000 2.580 161 S HA 0.490 4.959 4.470 -0.001 0.000 0.274 161 S C 1.128 175.737 174.600 0.014 0.000 1.329 161 S CA 0.118 58.329 58.200 0.018 0.000 1.036 161 S CB 1.076 64.288 63.200 0.021 0.000 0.919 161 S HN 0.399 nan 8.310 nan 0.000 0.515 162 E N 2.145 122.353 120.200 0.012 0.000 2.110 162 E HA -0.065 4.285 4.350 -0.001 0.000 0.193 162 E C 1.838 178.443 176.600 0.008 0.000 0.988 162 E CA 1.709 58.115 56.400 0.009 0.000 0.804 162 E CB -1.149 28.556 29.700 0.008 0.000 0.745 162 E HN 0.797 nan 8.360 nan 0.000 0.458 163 S N -0.550 115.156 115.700 0.009 0.000 2.650 163 S HA 0.364 4.833 4.470 -0.001 0.000 0.219 163 S C 1.521 176.125 174.600 0.007 0.000 0.960 163 S CA 0.898 59.102 58.200 0.007 0.000 0.925 163 S CB -0.177 63.028 63.200 0.008 0.000 0.775 163 S HN 1.031 nan 8.310 nan 0.000 0.525 164 K N 0.799 121.205 120.400 0.009 0.000 3.035 164 K HA -0.245 4.075 4.320 -0.001 0.000 0.262 164 K C -0.396 176.210 176.600 0.010 0.000 1.024 164 K CA 1.592 57.884 56.287 0.008 0.000 0.748 164 K CB -2.593 29.908 32.500 0.002 0.000 1.247 164 K HN 0.638 nan 8.250 nan 0.000 0.482 165 D N -1.598 118.811 120.400 0.015 0.000 2.570 165 D HA 0.642 5.281 4.640 -0.001 0.000 0.244 165 D C 0.576 176.892 176.300 0.027 0.000 1.178 165 D CA 0.644 54.654 54.000 0.017 0.000 0.881 165 D CB 1.633 42.440 40.800 0.011 0.000 1.453 165 D HN 0.482 nan 8.370 nan 0.000 0.447 166 T N -0.985 113.589 114.554 0.032 0.000 2.754 166 T HA 0.523 4.873 4.350 -0.001 0.000 0.286 166 T C 0.573 175.292 174.700 0.033 0.000 0.997 166 T CA -0.632 61.491 62.100 0.038 0.000 0.982 166 T CB 0.638 69.533 68.868 0.046 0.000 1.027 166 T HN 0.412 nan 8.240 nan 0.000 0.529 167 S N -0.039 115.682 115.700 0.035 0.000 2.654 167 S HA 0.378 4.847 4.470 -0.001 0.000 0.283 167 S C 1.021 175.647 174.600 0.043 0.000 1.180 167 S CA -0.952 57.268 58.200 0.033 0.000 1.021 167 S CB 1.053 64.271 63.200 0.030 0.000 1.018 167 S HN 0.682 nan 8.310 nan 0.000 0.532 168 L N 0.886 122.136 121.223 0.045 0.000 2.046 168 L HA 0.023 4.362 4.340 -0.001 0.000 0.208 168 L C 2.460 179.377 176.870 0.078 0.000 1.077 168 L CA 2.253 57.133 54.840 0.067 0.000 0.747 168 L CB -1.102 40.992 42.059 0.059 0.000 0.896 168 L HN 0.964 nan 8.230 nan 0.000 0.432 169 E N -0.934 119.298 120.200 0.053 0.000 2.153 169 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 169 E C 1.992 178.613 176.600 0.035 0.000 0.988 169 E CA 1.843 58.269 56.400 0.043 0.000 0.811 169 E CB -0.378 29.340 29.700 0.031 0.000 0.746 169 E HN 0.532 nan 8.360 nan 0.000 0.466 170 T N 0.117 114.693 114.554 0.036 0.000 2.812 170 T HA -0.026 4.323 4.350 -0.001 0.000 0.264 170 T C 1.761 176.480 174.700 0.031 0.000 1.042 170 T CA 1.102 63.219 62.100 0.028 0.000 1.140 170 T CB -0.129 68.757 68.868 0.030 0.000 0.870 170 T HN 0.176 nan 8.240 nan 0.000 0.445 171 R N 0.711 121.246 120.500 0.060 0.000 2.152 171 R HA 0.037 4.376 4.340 -0.001 0.000 0.232 171 R C 2.650 178.989 176.300 0.065 0.000 1.117 171 R CA 0.738 56.890 56.100 0.086 0.000 0.981 171 R CB -0.076 30.305 30.300 0.136 0.000 0.870 171 R HN 0.286 nan 8.270 nan 0.000 0.451 172 R N 0.899 121.424 120.500 0.042 0.000 2.061 172 R HA -0.166 4.174 4.340 -0.001 0.000 0.230 172 R C 2.273 178.516 176.300 -0.095 0.000 1.140 172 R CA 1.424 57.469 56.100 -0.092 0.000 0.940 172 R CB -0.798 29.488 30.300 -0.022 0.000 0.839 172 R HN 0.416 nan 8.270 nan 0.000 0.429 173 Q N 1.238 121.016 119.800 -0.037 0.000 2.135 173 Q HA -0.134 4.205 4.340 -0.001 0.000 0.204 173 Q C 2.096 178.072 176.000 -0.040 0.000 0.981 173 Q CA 1.416 57.201 55.803 -0.030 0.000 0.856 173 Q CB -0.118 28.611 28.738 -0.015 0.000 0.902 173 Q HN 0.360 nan 8.270 nan 0.000 0.425 174 L N 0.384 121.582 121.223 -0.041 0.000 2.109 174 L HA -0.069 4.271 4.340 -0.001 0.000 0.207 174 L C 2.697 179.519 176.870 -0.081 0.000 1.086 174 L CA 0.868 55.674 54.840 -0.056 0.000 0.760 174 L CB -0.568 41.467 42.059 -0.039 0.000 0.910 174 L HN 0.279 nan 8.230 nan 0.000 0.437 175 A N 0.148 122.914 122.820 -0.089 0.000 1.898 175 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 175 A C 2.191 179.745 177.584 -0.049 0.000 1.181 175 A CA 1.482 53.446 52.037 -0.121 0.000 0.620 175 A CB -0.596 18.289 19.000 -0.192 0.000 0.819 175 A HN 0.327 nan 8.150 nan 0.000 0.442 176 L N 0.091 121.300 121.223 -0.023 0.000 2.046 176 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 176 L C 2.181 179.083 176.870 0.055 0.000 1.077 176 L CA 2.694 57.565 54.840 0.052 0.000 0.747 176 L CB -0.645 41.420 42.059 0.011 0.000 0.896 176 L HN 0.429 nan 8.230 nan 0.000 0.432 177 K N -0.616 119.784 120.400 0.000 0.000 2.097 177 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 177 K C 1.988 178.587 176.600 -0.003 0.000 1.049 177 K CA 1.266 57.552 56.287 -0.001 0.000 0.933 177 K CB -0.224 32.250 32.500 -0.043 0.000 0.717 177 K HN 0.485 nan 8.250 nan 0.000 0.442 178 A N 0.499 123.269 122.820 -0.083 0.000 1.877 178 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 178 A C 1.878 179.420 177.584 -0.070 0.000 1.186 178 A CA 1.268 53.212 52.037 -0.156 0.000 0.620 178 A CB -0.749 18.061 19.000 -0.316 0.000 0.822 178 A HN 0.338 nan 8.150 nan 0.000 0.443 179 F N 0.707 120.669 119.950 0.019 0.000 2.234 179 F HA -0.074 4.452 4.527 -0.001 0.000 0.299 179 F C 2.694 178.518 175.800 0.040 0.000 1.087 179 F CA 1.608 59.623 58.000 0.026 0.000 1.340 179 F CB -0.954 38.050 39.000 0.006 0.000 1.031 179 F HN 0.139 nan 8.300 nan 0.000 0.500 180 T N -1.972 112.714 114.554 0.220 0.000 2.777 180 T HA -0.236 4.113 4.350 -0.001 0.000 0.266 180 T C 1.729 176.514 174.700 0.141 0.000 1.040 180 T CA 1.760 63.947 62.100 0.146 0.000 1.141 180 T CB -0.460 68.472 68.868 0.107 0.000 0.868 180 T HN 0.301 nan 8.240 nan 0.000 0.444 181 H N 1.295 120.389 119.070 0.039 0.000 2.290 181 H HA -0.110 4.445 4.556 -0.001 0.000 0.298 181 H C 2.527 177.881 175.328 0.043 0.000 1.087 181 H CA 2.426 58.483 56.048 0.015 0.000 1.291 181 H CB -0.398 29.335 29.762 -0.048 0.000 1.369 181 H HN 0.423 nan 8.280 nan 0.000 0.492 182 T N -2.071 112.570 114.554 0.145 0.000 2.867 182 T HA -0.052 4.298 4.350 -0.001 0.000 0.268 182 T C 2.214 176.993 174.700 0.131 0.000 1.057 182 T CA 1.043 63.211 62.100 0.114 0.000 1.136 182 T CB -0.709 68.234 68.868 0.125 0.000 0.874 182 T HN 0.421 nan 8.240 nan 0.000 0.466 183 A N 1.797 124.694 122.820 0.127 0.000 1.877 183 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 183 A C 2.495 180.112 177.584 0.056 0.000 1.186 183 A CA 1.606 53.696 52.037 0.089 0.000 0.620 183 A CB -0.825 18.221 19.000 0.077 0.000 0.822 183 A HN 0.628 nan 8.150 nan 0.000 0.443 184 Q N -2.322 117.504 119.800 0.042 0.000 2.172 184 Q HA -0.152 4.187 4.340 -0.001 0.000 0.200 184 Q C 1.944 177.958 176.000 0.024 0.000 0.964 184 Q CA 1.397 57.211 55.803 0.017 0.000 0.855 184 Q CB -0.259 28.479 28.738 -0.000 0.000 0.918 184 Q HN 0.807 nan 8.270 nan 0.000 0.444 185 Y N 1.975 122.195 120.300 -0.132 0.000 2.145 185 Y HA -0.242 4.308 4.550 -0.001 0.000 0.286 185 Y C 1.577 177.380 175.900 -0.161 0.000 1.145 185 Y CA 1.801 59.808 58.100 -0.154 0.000 1.148 185 Y CB -0.009 38.353 38.460 -0.163 0.000 0.981 185 Y HN 0.075 nan 8.280 nan 0.000 0.507 186 D N -0.529 119.865 120.400 -0.010 0.000 2.224 186 D HA -0.114 4.526 4.640 -0.001 0.000 0.205 186 D C 2.037 178.286 176.300 -0.085 0.000 0.965 186 D CA 1.157 55.107 54.000 -0.085 0.000 0.852 186 D CB -0.168 40.640 40.800 0.014 0.000 0.947 186 D HN 0.403 nan 8.370 nan 0.000 0.494 187 E N 0.964 121.135 120.200 -0.048 0.000 2.072 187 E HA -0.063 4.286 4.350 -0.001 0.000 0.191 187 E C 1.855 178.414 176.600 -0.068 0.000 0.985 187 E CA 1.426 57.804 56.400 -0.036 0.000 0.801 187 E CB -0.360 29.334 29.700 -0.010 0.000 0.750 187 E HN 0.113 nan 8.360 nan 0.000 0.452 188 A N 0.605 123.372 122.820 -0.089 0.000 1.902 188 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 188 A C 2.417 179.961 177.584 -0.066 0.000 1.181 188 A CA 1.534 53.541 52.037 -0.051 0.000 0.623 188 A CB -0.730 18.265 19.000 -0.008 0.000 0.818 188 A HN 0.353 nan 8.150 nan 0.000 0.443 189 I N 0.713 121.058 120.570 -0.375 0.000 2.179 189 I HA -0.267 3.902 4.170 -0.001 0.000 0.242 189 I C 2.911 178.966 176.117 -0.104 0.000 1.088 189 I CA 1.707 62.687 61.300 -0.534 0.000 1.357 189 I CB -0.289 37.266 38.000 -0.742 0.000 1.051 189 I HN 0.508 nan 8.210 nan 0.000 0.409 190 S N -0.110 115.578 115.700 -0.021 0.000 2.402 190 S HA -0.239 4.230 4.470 -0.001 0.000 0.229 190 S C 1.667 176.283 174.600 0.028 0.000 1.021 190 S CA 1.489 59.743 58.200 0.090 0.000 0.974 190 S CB -0.509 62.724 63.200 0.055 0.000 0.800 190 S HN 0.472 nan 8.310 nan 0.000 0.484 191 D N 0.406 120.775 120.400 -0.050 0.000 2.144 191 D HA -0.172 4.467 4.640 -0.001 0.000 0.199 191 D C 1.759 178.015 176.300 -0.072 0.000 0.984 191 D CA 1.123 55.048 54.000 -0.123 0.000 0.834 191 D CB -0.428 40.281 40.800 -0.152 0.000 0.955 191 D HN 0.524 nan 8.370 nan 0.000 0.465 192 Y N -0.140 120.059 120.300 -0.168 0.000 2.145 192 Y HA -0.164 4.385 4.550 -0.001 0.000 0.286 192 Y C 1.651 177.377 175.900 -0.291 0.000 1.145 192 Y CA 1.602 59.552 58.100 -0.250 0.000 1.148 192 Y CB -0.570 37.721 38.460 -0.282 0.000 0.981 192 Y HN -0.050 nan 8.280 nan 0.000 0.507 193 F N 0.248 120.089 119.950 -0.182 0.000 2.293 193 F HA -0.052 4.474 4.527 -0.001 0.000 0.300 193 F C 2.518 178.160 175.800 -0.263 0.000 1.086 193 F CA 1.205 58.969 58.000 -0.394 0.000 1.375 193 F CB -0.663 38.274 39.000 -0.106 0.000 1.045 193 F HN -0.026 nan 8.300 nan 0.000 0.516 194 R N 0.429 120.935 120.500 0.009 0.000 2.066 194 R HA -0.144 4.196 4.340 -0.001 0.000 0.232 194 R C 2.134 178.397 176.300 -0.062 0.000 1.131 194 R CA 1.452 57.552 56.100 -0.001 0.000 0.955 194 R CB -0.225 30.049 30.300 -0.044 0.000 0.851 194 R HN 0.229 nan 8.270 nan 0.000 0.432 195 K N -0.072 120.238 120.400 -0.149 0.000 2.057 195 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 195 K C 2.246 178.725 176.600 -0.200 0.000 1.050 195 K CA 1.077 57.269 56.287 -0.159 0.000 0.935 195 K CB 0.068 32.463 32.500 -0.175 0.000 0.715 195 K HN 0.099 nan 8.250 nan 0.000 0.439 196 Q N -0.567 119.004 119.800 -0.382 0.000 2.096 196 Q HA -0.071 4.268 4.340 -0.001 0.000 0.197 196 Q C 1.401 177.362 176.000 -0.065 0.000 0.964 196 Q CA 1.474 57.045 55.803 -0.387 0.000 0.838 196 Q CB 0.152 28.388 28.738 -0.837 0.000 0.906 196 Q HN 0.446 nan 8.270 nan 0.000 0.444 197 Y N -1.541 118.735 120.300 -0.040 0.000 2.444 197 Y HA 0.307 4.857 4.550 -0.001 0.000 0.249 197 Y C 1.335 177.224 175.900 -0.018 0.000 1.134 197 Y CA -0.512 57.578 58.100 -0.016 0.000 1.261 197 Y CB 0.606 39.066 38.460 -0.000 0.000 1.143 197 Y HN -0.128 nan 8.280 nan 0.000 0.523 198 S N 0.042 115.817 115.700 0.126 0.000 2.941 198 S HA 0.155 4.625 4.470 -0.001 0.000 0.251 198 S C 0.068 174.687 174.600 0.033 0.000 1.029 198 S CA -0.556 57.687 58.200 0.071 0.000 1.062 198 S CB -0.226 63.018 63.200 0.072 0.000 0.977 198 S HN 0.194 nan 8.310 nan 0.000 0.552 199 K N 0.793 121.206 120.400 0.022 0.000 2.447 199 K HA 0.334 4.654 4.320 -0.001 0.000 0.281 199 K C 1.179 177.779 176.600 0.001 0.000 1.031 199 K CA 1.293 57.582 56.287 0.003 0.000 1.019 199 K CB -0.103 32.393 32.500 -0.006 0.000 0.918 199 K HN 0.362 nan 8.250 nan 0.000 0.476 200 G N 2.162 110.958 108.800 -0.006 0.000 2.179 200 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.260 200 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.260 200 G C 0.434 175.324 174.900 -0.016 0.000 0.977 200 G CA 0.363 45.454 45.100 -0.015 0.000 0.641 200 G HN 0.471 nan 8.290 nan 0.000 0.533 201 V N 0.483 120.394 119.914 -0.005 0.000 3.050 201 V HA 0.267 4.386 4.120 -0.001 0.000 0.223 201 V C 2.380 178.473 176.094 -0.002 0.000 1.162 201 V CA 2.247 64.543 62.300 -0.006 0.000 1.247 201 V CB 0.271 32.097 31.823 0.004 0.000 1.125 201 V HN 0.937 nan 8.190 nan 0.000 0.508 202 S N -1.315 114.397 115.700 0.020 0.000 2.539 202 S HA 0.213 4.682 4.470 -0.001 0.000 0.221 202 S C 0.540 175.182 174.600 0.070 0.000 0.987 202 S CA -0.101 58.122 58.200 0.038 0.000 0.929 202 S CB 0.380 63.615 63.200 0.058 0.000 0.832 202 S HN 0.433 nan 8.310 nan 0.000 0.492 203 Q N 1.076 120.907 119.800 0.052 0.000 2.372 203 Q HA 0.531 4.870 4.340 -0.001 0.000 0.273 203 Q C -1.950 174.068 176.000 0.031 0.000 1.078 203 Q CA -0.412 55.431 55.803 0.068 0.000 0.806 203 Q CB 2.149 30.907 28.738 0.033 0.000 1.332 203 Q HN 0.537 nan 8.270 nan 0.000 0.435 204 M N 5.403 125.025 119.600 0.037 0.000 2.122 204 M HA 0.420 4.900 4.480 -0.001 0.000 0.269 204 M C -2.679 173.629 176.300 0.013 0.000 0.954 204 M CA -1.549 53.754 55.300 0.005 0.000 0.998 204 M CB 2.132 34.718 32.600 -0.024 0.000 1.755 204 M HN 0.208 nan 8.290 nan 0.000 0.459 205 P HA 0.238 nan 4.420 nan 0.000 0.268 205 P C -1.312 175.986 177.300 -0.003 0.000 1.205 205 P CA 0.074 63.179 63.100 0.009 0.000 0.771 205 P CB 0.566 32.264 31.700 -0.002 0.000 0.858 206 L N 3.274 124.502 121.223 0.009 0.000 2.342 206 L HA 0.459 4.798 4.340 -0.001 0.000 0.271 206 L C 1.755 178.590 176.870 -0.059 0.000 1.008 206 L CA -0.891 53.935 54.840 -0.024 0.000 0.818 206 L CB 1.875 43.954 42.059 0.033 0.000 1.296 206 L HN 0.352 nan 8.230 nan 0.000 0.427 207 R N 1.380 121.777 120.500 -0.173 0.000 2.127 207 R HA -0.073 4.267 4.340 -0.001 0.000 0.238 207 R C -0.536 175.706 176.300 -0.097 0.000 1.134 207 R CA 1.347 57.326 56.100 -0.202 0.000 0.975 207 R CB -0.519 29.546 30.300 -0.392 0.000 0.865 207 R HN 0.629 nan 8.270 nan 0.000 0.447 208 Y N -4.183 116.134 120.300 0.029 0.000 2.851 208 Y HA 0.519 5.068 4.550 -0.001 0.000 0.359 208 Y C 0.091 175.973 175.900 -0.030 0.000 1.231 208 Y CA -1.245 56.847 58.100 -0.013 0.000 1.106 208 Y CB 0.037 38.474 38.460 -0.039 0.000 1.409 208 Y HN -0.072 nan 8.280 nan 0.000 0.454 209 G N 0.362 109.224 108.800 0.103 0.000 2.928 209 G HA2 0.272 4.231 3.960 -0.001 0.000 0.163 209 G HA3 0.272 4.231 3.960 -0.001 0.000 0.163 209 G C 0.592 175.297 174.900 -0.325 0.000 1.573 209 G CA 0.058 44.957 45.100 -0.335 0.000 1.084 209 G HN 0.783 nan 8.290 nan 0.000 0.569 210 M N 0.151 119.362 119.600 -0.648 0.000 2.106 210 M HA -0.009 4.470 4.480 -0.001 0.000 0.259 210 M C 0.382 176.633 176.300 -0.081 0.000 1.068 210 M CA 1.276 56.410 55.300 -0.278 0.000 1.100 210 M CB -0.318 32.134 32.600 -0.246 0.000 1.351 210 M HN 0.354 nan 8.290 nan 0.000 0.404 211 N N -2.200 116.378 118.700 -0.205 0.000 2.357 211 N HA 0.270 5.009 4.740 -0.001 0.000 0.284 211 N C -2.385 172.819 175.510 -0.511 0.000 1.236 211 N CA -1.293 51.603 53.050 -0.258 0.000 0.774 211 N CB 1.116 39.462 38.487 -0.235 0.000 1.534 211 N HN -0.253 nan 8.380 nan 0.000 0.478 212 P HA -0.209 nan 4.420 nan 0.000 0.218 212 P C 1.098 178.145 177.300 -0.422 0.000 1.154 212 P CA 1.674 64.134 63.100 -1.067 0.000 0.872 212 P CB -0.124 31.189 31.700 -0.646 0.000 0.790 213 H N -1.324 117.604 119.070 -0.236 0.000 2.559 213 H HA 0.048 4.603 4.556 -0.001 0.000 0.273 213 H C 0.233 175.520 175.328 -0.069 0.000 1.000 213 H CA 0.466 56.445 56.048 -0.116 0.000 1.195 213 H CB -0.849 28.862 29.762 -0.084 0.000 1.368 213 H HN 0.259 nan 8.280 nan 0.000 0.592 214 Q N 2.519 122.094 119.800 -0.375 0.000 2.566 214 Q HA 0.220 4.560 4.340 -0.001 0.000 0.221 214 Q C -0.288 175.673 176.000 -0.064 0.000 1.195 214 Q CA -0.275 55.389 55.803 -0.233 0.000 0.967 214 Q CB 0.783 29.312 28.738 -0.348 0.000 1.337 214 Q HN 0.449 nan 8.270 nan 0.000 0.553 215 T N -1.264 113.287 114.554 -0.005 0.000 2.893 215 T HA 0.745 5.094 4.350 -0.001 0.000 0.291 215 T C -1.995 172.723 174.700 0.030 0.000 1.028 215 T CA -1.427 60.699 62.100 0.042 0.000 0.995 215 T CB 1.682 70.590 68.868 0.068 0.000 1.051 215 T HN 0.241 nan 8.240 nan 0.000 0.470 216 P HA 0.834 nan 4.420 nan 0.000 0.287 216 P C -1.335 176.003 177.300 0.064 0.000 1.296 216 P CA -0.858 62.273 63.100 0.051 0.000 0.811 216 P CB 1.105 32.829 31.700 0.041 0.000 1.211 217 A N -0.127 122.745 122.820 0.085 0.000 2.587 217 A HA 0.671 4.990 4.320 -0.001 0.000 0.293 217 A C -1.243 176.426 177.584 0.141 0.000 1.087 217 A CA -0.519 51.601 52.037 0.139 0.000 0.692 217 A CB 1.864 20.966 19.000 0.170 0.000 1.291 217 A HN 0.788 nan 8.150 nan 0.000 0.407 218 Q N -0.116 119.798 119.800 0.189 0.000 2.575 218 Q HA 0.751 5.090 4.340 -0.001 0.000 0.290 218 Q C -2.093 173.998 176.000 0.152 0.000 0.963 218 Q CA -0.866 55.029 55.803 0.152 0.000 0.783 218 Q CB 1.534 30.364 28.738 0.153 0.000 1.467 218 Q HN 1.054 nan 8.270 nan 0.000 0.402 219 L N 2.161 123.439 121.223 0.093 0.000 2.365 219 L HA 0.799 5.138 4.340 -0.001 0.000 0.273 219 L C -1.759 175.176 176.870 0.108 0.000 1.000 219 L CA -0.355 54.485 54.840 0.000 0.000 0.819 219 L CB 1.814 43.819 42.059 -0.091 0.000 1.284 219 L HN 0.770 nan 8.230 nan 0.000 0.418 220 Y N 0.933 121.208 120.300 -0.041 0.000 2.689 220 Y HA 0.812 5.361 4.550 -0.001 0.000 0.333 220 Y C -1.113 174.774 175.900 -0.023 0.000 1.208 220 Y CA -0.807 57.277 58.100 -0.027 0.000 1.055 220 Y CB 1.389 39.846 38.460 -0.005 0.000 1.304 220 Y HN 0.687 nan 8.280 nan 0.000 0.455 221 T N 0.989 115.642 114.554 0.165 0.000 2.883 221 T HA 0.461 4.811 4.350 -0.001 0.000 0.301 221 T C -0.260 174.559 174.700 0.199 0.000 1.158 221 T CA -0.882 61.270 62.100 0.086 0.000 1.007 221 T CB 1.247 70.128 68.868 0.022 0.000 1.186 221 T HN 0.844 nan 8.240 nan 0.000 0.499 222 L N 1.369 122.685 121.223 0.155 0.000 2.567 222 L HA 0.236 4.575 4.340 -0.001 0.000 0.225 222 L C 1.335 178.262 176.870 0.096 0.000 1.119 222 L CA -0.090 54.834 54.840 0.140 0.000 0.871 222 L CB -0.153 41.979 42.059 0.122 0.000 1.036 222 L HN 0.496 nan 8.230 nan 0.000 0.459 223 Q N 0.450 120.304 119.800 0.090 0.000 2.500 223 Q HA 0.115 4.454 4.340 -0.001 0.000 0.215 223 Q C -1.347 174.690 176.000 0.061 0.000 1.062 223 Q CA -1.317 54.531 55.803 0.075 0.000 0.996 223 Q CB 0.097 28.890 28.738 0.092 0.000 1.239 223 Q HN -0.110 nan 8.270 nan 0.000 0.578 224 P HA -0.044 nan 4.420 nan 0.000 0.219 224 P C -0.149 177.167 177.300 0.026 0.000 1.150 224 P CA 1.425 64.546 63.100 0.034 0.000 0.814 224 P CB 0.417 32.132 31.700 0.024 0.000 0.787 225 K N -0.931 119.481 120.400 0.020 0.000 2.527 225 K HA 0.317 4.637 4.320 -0.001 0.000 0.260 225 K C -1.047 175.534 176.600 -0.033 0.000 0.937 225 K CA -0.805 55.480 56.287 -0.004 0.000 0.826 225 K CB 1.281 33.774 32.500 -0.011 0.000 1.359 225 K HN -0.180 nan 8.250 nan 0.000 0.434 226 L N 4.115 125.299 121.223 -0.065 0.000 2.439 226 L HA 0.215 4.555 4.340 -0.001 0.000 0.269 226 L C -1.287 175.467 176.870 -0.193 0.000 1.179 226 L CA -1.324 53.432 54.840 -0.140 0.000 0.828 226 L CB 0.682 42.663 42.059 -0.130 0.000 1.106 226 L HN 0.630 nan 8.230 nan 0.000 0.467 227 P HA 0.048 nan 4.420 nan 0.000 0.241 227 P C 0.200 177.318 177.300 -0.302 0.000 1.191 227 P CA 0.838 63.724 63.100 -0.356 0.000 0.771 227 P CB 0.411 31.666 31.700 -0.742 0.000 0.929 228 I N 0.757 121.159 120.570 -0.279 0.000 2.392 228 I HA 0.225 4.395 4.170 -0.001 0.000 0.295 228 I C 0.389 176.411 176.117 -0.159 0.000 0.985 228 I CA -0.534 60.624 61.300 -0.237 0.000 1.221 228 I CB 1.941 39.798 38.000 -0.238 0.000 1.366 228 I HN -0.140 nan 8.210 nan 0.000 0.467 229 T N 3.112 117.588 114.554 -0.130 0.000 2.812 229 T HA 0.529 4.879 4.350 -0.001 0.000 0.282 229 T C -0.546 174.104 174.700 -0.083 0.000 0.990 229 T CA -0.722 61.323 62.100 -0.091 0.000 0.960 229 T CB 1.417 70.243 68.868 -0.070 0.000 0.948 229 T HN 0.161 nan 8.240 nan 0.000 0.438 230 V N 5.802 125.667 119.914 -0.081 0.000 2.408 230 V HA 0.228 4.347 4.120 -0.001 0.000 0.267 230 V C 1.147 177.188 176.094 -0.088 0.000 1.047 230 V CA -0.348 61.901 62.300 -0.084 0.000 0.937 230 V CB 0.388 32.165 31.823 -0.078 0.000 0.999 230 V HN 0.919 nan 8.190 nan 0.000 0.472 231 L N 3.266 124.418 121.223 -0.117 0.000 2.463 231 L HA 0.341 4.680 4.340 -0.001 0.000 0.219 231 L C 0.670 177.461 176.870 -0.133 0.000 1.088 231 L CA 0.483 55.241 54.840 -0.135 0.000 0.849 231 L CB 0.100 42.034 42.059 -0.209 0.000 1.012 231 L HN 0.709 nan 8.230 nan 0.000 0.468 232 N N -1.191 117.428 118.700 -0.135 0.000 2.504 232 N HA 0.486 5.226 4.740 -0.001 0.000 0.268 232 N C -0.158 175.291 175.510 -0.101 0.000 1.184 232 N CA 0.632 53.619 53.050 -0.105 0.000 0.875 232 N CB 1.660 40.087 38.487 -0.100 0.000 1.630 232 N HN 0.164 nan 8.380 nan 0.000 0.486 233 G N 1.208 109.965 108.800 -0.071 0.000 2.569 233 G HA2 0.362 4.321 3.960 -0.001 0.000 0.259 233 G HA3 0.362 4.321 3.960 -0.001 0.000 0.259 233 G C -0.799 174.060 174.900 -0.070 0.000 1.263 233 G CA 0.042 45.101 45.100 -0.068 0.000 0.928 233 G HN 1.474 nan 8.290 nan 0.000 0.572 234 A N 0.296 123.074 122.820 -0.070 0.000 2.485 234 A HA 0.769 5.088 4.320 -0.001 0.000 0.285 234 A C -2.233 175.311 177.584 -0.067 0.000 1.045 234 A CA -0.010 51.987 52.037 -0.067 0.000 0.792 234 A CB 1.714 20.678 19.000 -0.061 0.000 1.307 234 A HN 1.074 nan 8.150 nan 0.000 0.406 235 P HA 0.336 nan 4.420 nan 0.000 0.268 235 P C 0.473 177.726 177.300 -0.078 0.000 1.205 235 P CA 0.472 63.537 63.100 -0.059 0.000 0.771 235 P CB 1.209 32.860 31.700 -0.082 0.000 0.858 236 G N 0.705 109.465 108.800 -0.067 0.000 2.552 236 G HA2 0.281 4.240 3.960 -0.001 0.000 0.318 236 G HA3 0.281 4.240 3.960 -0.001 0.000 0.318 236 G C 0.157 175.055 174.900 -0.004 0.000 1.240 236 G CA -0.749 44.308 45.100 -0.072 0.000 1.002 236 G HN 0.396 nan 8.290 nan 0.000 0.493 237 F N -0.164 119.728 119.950 -0.096 0.000 2.075 237 F HA -0.052 4.474 4.527 -0.001 0.000 0.297 237 F C 2.522 178.295 175.800 -0.044 0.000 1.113 237 F CA 1.538 59.508 58.000 -0.050 0.000 1.218 237 F CB -0.016 38.984 39.000 0.001 0.000 0.984 237 F HN 0.234 nan 8.300 nan 0.000 0.472 238 I N 0.052 120.793 120.570 0.285 0.000 2.315 238 I HA -0.318 3.852 4.170 -0.001 0.000 0.248 238 I C 1.971 178.069 176.117 -0.032 0.000 1.117 238 I CA 1.499 62.896 61.300 0.161 0.000 1.404 238 I CB -0.843 37.260 38.000 0.173 0.000 1.071 238 I HN 0.261 nan 8.210 nan 0.000 0.419 239 N N 1.004 119.665 118.700 -0.066 0.000 2.094 239 N HA -0.210 4.529 4.740 -0.001 0.000 0.191 239 N C 1.914 177.110 175.510 -0.523 0.000 1.023 239 N CA 1.170 54.075 53.050 -0.242 0.000 0.857 239 N CB -0.103 38.324 38.487 -0.100 0.000 1.013 239 N HN 0.283 nan 8.380 nan 0.000 0.426 240 L N 0.040 121.048 121.223 -0.358 0.000 2.156 240 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 240 L C 2.364 179.027 176.870 -0.344 0.000 1.095 240 L CA 0.522 55.129 54.840 -0.388 0.000 0.770 240 L CB -0.268 41.579 42.059 -0.354 0.000 0.914 240 L HN 0.373 nan 8.230 nan 0.000 0.439 241 C N -0.262 118.879 119.300 -0.265 0.000 2.432 241 C HA -0.155 4.304 4.460 -0.001 0.000 0.277 241 C C 2.475 177.400 174.990 -0.109 0.000 1.249 241 C CA 0.512 59.449 59.018 -0.135 0.000 1.725 241 C CB -0.660 27.075 27.740 -0.009 0.000 2.028 241 C HN 0.544 nan 8.230 nan 0.000 0.477 242 D N 0.898 121.201 120.400 -0.161 0.000 2.078 242 D HA -0.091 4.549 4.640 -0.001 0.000 0.193 242 D C 2.357 178.368 176.300 -0.481 0.000 0.990 242 D CA 1.802 55.709 54.000 -0.156 0.000 0.827 242 D CB -0.611 40.140 40.800 -0.081 0.000 0.975 242 D HN 0.465 nan 8.370 nan 0.000 0.451 243 A N 1.051 123.438 122.820 -0.722 0.000 1.883 243 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 243 A C 2.473 179.877 177.584 -0.300 0.000 1.186 243 A CA 1.193 52.865 52.037 -0.608 0.000 0.624 243 A CB -0.910 17.628 19.000 -0.770 0.000 0.822 243 A HN 0.217 nan 8.150 nan 0.000 0.444 244 L N -0.535 120.533 121.223 -0.257 0.000 2.141 244 L HA -0.144 4.196 4.340 -0.001 0.000 0.209 244 L C 2.303 179.109 176.870 -0.106 0.000 1.094 244 L CA 0.988 55.761 54.840 -0.111 0.000 0.763 244 L CB -0.530 41.467 42.059 -0.104 0.000 0.908 244 L HN 0.430 nan 8.230 nan 0.000 0.437 245 N N 0.098 118.683 118.700 -0.192 0.000 2.250 245 N HA -0.056 4.684 4.740 -0.001 0.000 0.181 245 N C 1.918 177.084 175.510 -0.572 0.000 1.017 245 N CA 1.274 54.202 53.050 -0.204 0.000 0.866 245 N CB 0.074 38.657 38.487 0.159 0.000 0.985 245 N HN 0.259 nan 8.380 nan 0.000 0.429 246 A N 1.437 123.692 122.820 -0.942 0.000 1.898 246 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 246 A C 2.016 179.401 177.584 -0.332 0.000 1.181 246 A CA 0.806 52.278 52.037 -0.943 0.000 0.620 246 A CB -1.106 17.354 19.000 -0.901 0.000 0.819 246 A HN 0.598 nan 8.150 nan 0.000 0.442 247 W N 0.799 121.884 121.300 -0.359 0.000 2.335 247 W HA -0.254 4.405 4.660 -0.001 0.000 0.311 247 W C 1.996 178.369 176.519 -0.244 0.000 1.213 247 W CA 1.948 59.160 57.345 -0.222 0.000 1.274 247 W CB -0.246 29.114 29.460 -0.167 0.000 1.148 247 W HN 0.504 nan 8.180 nan 0.000 0.498 248 Q N 0.576 120.058 119.800 -0.530 0.000 2.124 248 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 248 Q C 2.495 178.034 176.000 -0.769 0.000 0.977 248 Q CA 1.728 57.108 55.803 -0.704 0.000 0.850 248 Q CB -0.545 27.785 28.738 -0.680 0.000 0.901 248 Q HN 0.399 nan 8.270 nan 0.000 0.429 249 L N 0.775 121.501 121.223 -0.829 0.000 1.989 249 L HA -0.193 4.146 4.340 -0.001 0.000 0.211 249 L C 2.410 179.144 176.870 -0.227 0.000 1.071 249 L CA 1.499 56.089 54.840 -0.417 0.000 0.749 249 L CB -0.323 41.675 42.059 -0.102 0.000 0.890 249 L HN 0.242 nan 8.230 nan 0.000 0.431 250 V N -2.577 117.185 119.914 -0.254 0.000 2.515 250 V HA -0.253 3.867 4.120 -0.001 0.000 0.250 250 V C 2.486 178.379 176.094 -0.336 0.000 1.058 250 V CA 1.981 64.158 62.300 -0.204 0.000 1.064 250 V CB -0.855 30.902 31.823 -0.109 0.000 0.675 250 V HN 0.488 nan 8.190 nan 0.000 0.461 251 K N 0.380 120.405 120.400 -0.625 0.000 2.026 251 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 251 K C 2.277 178.686 176.600 -0.318 0.000 1.048 251 K CA 2.112 58.017 56.287 -0.636 0.000 0.929 251 K CB -0.219 31.698 32.500 -0.971 0.000 0.713 251 K HN 0.660 nan 8.250 nan 0.000 0.439 252 E N 0.551 120.602 120.200 -0.249 0.000 2.106 252 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 252 E C 2.106 178.670 176.600 -0.061 0.000 0.984 252 E CA 0.834 57.171 56.400 -0.104 0.000 0.806 252 E CB 0.024 29.719 29.700 -0.009 0.000 0.750 252 E HN 0.278 nan 8.360 nan 0.000 0.458 253 L N 0.766 121.952 121.223 -0.062 0.000 1.989 253 L HA -0.251 4.089 4.340 -0.001 0.000 0.211 253 L C 2.529 179.378 176.870 -0.034 0.000 1.071 253 L CA 1.346 56.171 54.840 -0.025 0.000 0.749 253 L CB -0.249 41.803 42.059 -0.013 0.000 0.890 253 L HN 0.040 nan 8.230 nan 0.000 0.431 254 K N 0.535 120.898 120.400 -0.062 0.000 2.032 254 K HA -0.231 4.088 4.320 -0.001 0.000 0.209 254 K C 1.845 178.419 176.600 -0.042 0.000 1.048 254 K CA 1.756 58.013 56.287 -0.050 0.000 0.927 254 K CB -0.168 32.291 32.500 -0.069 0.000 0.712 254 K HN 0.261 nan 8.250 nan 0.000 0.441 255 E N -0.700 119.465 120.200 -0.058 0.000 2.110 255 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 255 E C 1.835 178.421 176.600 -0.023 0.000 0.988 255 E CA 1.173 57.548 56.400 -0.042 0.000 0.804 255 E CB -0.153 29.514 29.700 -0.054 0.000 0.745 255 E HN 0.482 nan 8.360 nan 0.000 0.458 256 A N 0.118 122.928 122.820 -0.017 0.000 1.970 256 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 256 A C 1.891 179.477 177.584 0.003 0.000 1.170 256 A CA 0.867 52.905 52.037 0.001 0.000 0.645 256 A CB 0.027 19.038 19.000 0.019 0.000 0.816 256 A HN 0.149 nan 8.150 nan 0.000 0.447 257 L N -2.226 118.995 121.223 -0.003 0.000 2.817 257 L HA 0.317 4.656 4.340 -0.001 0.000 0.248 257 L C 1.502 178.370 176.870 -0.005 0.000 1.133 257 L CA 0.458 55.295 54.840 -0.004 0.000 0.935 257 L CB 0.335 42.391 42.059 -0.005 0.000 1.266 257 L HN 0.478 nan 8.230 nan 0.000 0.535 258 G N 1.556 110.352 108.800 -0.007 0.000 2.168 258 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.257 258 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.257 258 G C 0.083 174.982 174.900 -0.002 0.000 0.997 258 G CA 0.363 45.460 45.100 -0.005 0.000 0.708 258 G HN 0.317 nan 8.290 nan 0.000 0.520 259 I N 0.186 120.756 120.570 -0.001 0.000 2.509 259 I HA 0.344 4.514 4.170 -0.001 0.000 0.293 259 I C -2.255 173.867 176.117 0.008 0.000 1.020 259 I CA -2.799 58.504 61.300 0.006 0.000 1.088 259 I CB 2.307 40.313 38.000 0.010 0.000 1.267 259 I HN -0.218 nan 8.210 nan 0.000 0.430 260 P HA 0.032 nan 4.420 nan 0.000 0.263 260 P C -0.936 176.383 177.300 0.031 0.000 1.175 260 P CA 0.250 63.362 63.100 0.020 0.000 0.761 260 P CB 0.531 32.247 31.700 0.026 0.000 0.794 261 A N 2.440 125.278 122.820 0.030 0.000 2.469 261 A HA 0.882 5.201 4.320 -0.001 0.000 0.299 261 A C -1.044 176.587 177.584 0.079 0.000 1.098 261 A CA -0.384 51.680 52.037 0.046 0.000 0.737 261 A CB 1.854 20.864 19.000 0.017 0.000 1.312 261 A HN 0.522 nan 8.150 nan 0.000 0.414 262 A N -0.359 122.533 122.820 0.120 0.000 2.527 262 A HA 1.006 5.325 4.320 -0.001 0.000 0.293 262 A C -0.461 177.252 177.584 0.215 0.000 1.117 262 A CA -0.086 52.067 52.037 0.193 0.000 0.723 262 A CB 1.485 20.662 19.000 0.295 0.000 1.313 262 A HN 2.599 nan 8.150 nan 0.000 0.411 263 A N -0.249 122.745 122.820 0.289 0.000 2.549 263 A HA 0.801 5.120 4.320 -0.001 0.000 0.297 263 A C -0.622 177.224 177.584 0.437 0.000 1.061 263 A CA 0.092 52.330 52.037 0.336 0.000 0.690 263 A CB 1.475 20.691 19.000 0.359 0.000 1.287 263 A HN 1.874 nan 8.150 nan 0.000 0.402 264 S N 1.224 117.178 115.700 0.424 0.000 2.667 264 S HA 0.692 5.161 4.470 -0.001 0.000 0.304 264 S C -1.425 173.442 174.600 0.445 0.000 1.135 264 S CA -0.284 58.167 58.200 0.419 0.000 1.125 264 S CB -0.356 62.995 63.200 0.253 0.000 0.996 264 S HN 0.449 nan 8.310 nan 0.000 0.474 265 F N 3.483 123.575 119.950 0.236 0.000 2.399 265 F HA 0.695 5.221 4.527 -0.001 0.000 0.328 265 F C 0.628 176.547 175.800 0.199 0.000 1.084 265 F CA -0.597 57.529 58.000 0.211 0.000 1.053 265 F CB 1.396 40.521 39.000 0.208 0.000 1.209 265 F HN 0.293 nan 8.300 nan 0.000 0.502 266 K N 2.085 122.631 120.400 0.244 0.000 2.588 266 K HA 0.176 4.495 4.320 -0.001 0.000 0.250 266 K C -0.906 175.815 176.600 0.202 0.000 0.972 266 K CA -0.563 55.839 56.287 0.190 0.000 0.821 266 K CB 0.946 33.563 32.500 0.195 0.000 1.249 266 K HN 0.673 nan 8.250 nan 0.000 0.442 267 H N 1.801 120.987 119.070 0.194 0.000 2.677 267 H HA -0.140 4.415 4.556 -0.001 0.000 0.321 267 H C 0.163 175.591 175.328 0.166 0.000 1.171 267 H CA 1.065 57.212 56.048 0.166 0.000 1.139 267 H CB -1.334 28.505 29.762 0.129 0.000 1.515 267 H HN 0.580 nan 8.280 nan 0.000 0.423 268 V N -1.370 118.731 119.914 0.312 0.000 4.448 268 V HA -0.314 3.805 4.120 -0.001 0.000 0.248 268 V C 0.689 176.944 176.094 0.267 0.000 0.492 268 V CA 1.631 64.163 62.300 0.386 0.000 0.835 268 V CB -1.819 30.178 31.823 0.289 0.000 0.834 268 V HN 0.623 nan 8.190 nan 0.000 1.243 269 S N 0.096 115.742 115.700 -0.089 0.000 2.556 269 S HA 0.675 5.144 4.470 -0.001 0.000 0.271 269 S C -2.816 171.165 174.600 -1.030 0.000 1.135 269 S CA -0.875 57.079 58.200 -0.409 0.000 0.858 269 S CB 3.311 66.451 63.200 -0.101 0.000 1.114 269 S HN 0.286 nan 8.310 nan 0.000 0.468 270 P HA 0.294 nan 4.420 nan 0.000 0.281 270 P C -0.080 177.088 177.300 -0.221 0.000 1.252 270 P CA -0.231 62.425 63.100 -0.740 0.000 0.778 270 P CB 1.222 32.738 31.700 -0.306 0.000 0.895 271 A N 3.662 126.444 122.820 -0.065 0.000 1.935 271 A HA 0.369 4.688 4.320 -0.001 0.000 0.214 271 A C 1.131 178.746 177.584 0.051 0.000 1.178 271 A CA 1.509 53.569 52.037 0.039 0.000 0.640 271 A CB -0.703 18.361 19.000 0.107 0.000 0.825 271 A HN 0.659 nan 8.150 nan 0.000 0.447 272 G N -2.914 105.926 108.800 0.067 0.000 2.677 272 G HA2 0.683 4.643 3.960 -0.001 0.000 0.291 272 G HA3 0.683 4.643 3.960 -0.001 0.000 0.291 272 G C -1.285 173.678 174.900 0.104 0.000 1.435 272 G CA 0.085 45.224 45.100 0.066 0.000 0.826 272 G HN 1.224 nan 8.290 nan 0.000 0.491 273 A N -1.060 121.810 122.820 0.083 0.000 2.577 273 A HA 1.069 5.388 4.320 -0.001 0.000 0.297 273 A C -0.497 177.129 177.584 0.069 0.000 1.060 273 A CA 0.276 52.380 52.037 0.111 0.000 0.697 273 A CB 1.327 20.409 19.000 0.136 0.000 1.281 273 A HN 2.592 nan 8.150 nan 0.000 0.402 274 A N 0.295 123.162 122.820 0.077 0.000 2.601 274 A HA 0.815 5.135 4.320 -0.001 0.000 0.291 274 A C -0.563 177.057 177.584 0.060 0.000 1.075 274 A CA 0.046 52.117 52.037 0.057 0.000 0.671 274 A CB 0.476 19.511 19.000 0.058 0.000 1.277 274 A HN 2.284 nan 8.150 nan 0.000 0.417 275 V N -1.045 118.897 119.914 0.046 0.000 2.837 275 V HA 0.806 4.926 4.120 -0.001 0.000 0.310 275 V C 0.928 177.054 176.094 0.054 0.000 1.059 275 V CA -0.026 62.299 62.300 0.042 0.000 1.004 275 V CB 1.385 33.223 31.823 0.024 0.000 1.045 275 V HN 1.760 nan 8.190 nan 0.000 0.465 276 G N 2.460 111.292 108.800 0.052 0.000 3.180 276 G HA2 0.289 4.248 3.960 -0.001 0.000 0.252 276 G HA3 0.289 4.248 3.960 -0.001 0.000 0.252 276 G C 0.145 175.078 174.900 0.055 0.000 0.871 276 G CA -0.296 44.839 45.100 0.058 0.000 1.979 276 G HN 0.650 nan 8.290 nan 0.000 0.624 277 I N 1.230 121.838 120.570 0.062 0.000 2.471 277 I HA 0.106 4.276 4.170 -0.001 0.000 0.286 277 I C -1.793 174.374 176.117 0.084 0.000 1.079 277 I CA -1.849 59.490 61.300 0.065 0.000 1.398 277 I CB 1.357 39.398 38.000 0.068 0.000 1.403 277 I HN 0.082 nan 8.210 nan 0.000 0.530 278 P HA -0.041 nan 4.420 nan 0.000 0.261 278 P C -0.825 176.557 177.300 0.137 0.000 1.173 278 P CA -0.092 63.056 63.100 0.080 0.000 0.760 278 P CB 0.236 31.971 31.700 0.059 0.000 0.783 279 L N 2.664 123.992 121.223 0.174 0.000 2.371 279 L HA 0.245 4.584 4.340 -0.001 0.000 0.272 279 L C 1.123 178.204 176.870 0.353 0.000 1.124 279 L CA 0.309 55.307 54.840 0.264 0.000 0.816 279 L CB 0.156 42.394 42.059 0.299 0.000 1.129 279 L HN 0.390 nan 8.230 nan 0.000 0.448 280 S N 1.096 116.971 115.700 0.292 0.000 2.645 280 S HA 0.229 4.699 4.470 -0.001 0.000 0.266 280 S C 0.938 175.655 174.600 0.194 0.000 1.258 280 S CA -0.503 57.849 58.200 0.253 0.000 0.990 280 S CB 0.668 63.983 63.200 0.192 0.000 0.967 280 S HN 0.661 nan 8.310 nan 0.000 0.556 281 E N 0.532 120.746 120.200 0.023 0.000 2.085 281 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 281 E C 1.209 177.725 176.600 -0.139 0.000 0.994 281 E CA 1.709 57.990 56.400 -0.200 0.000 0.801 281 E CB -0.155 29.427 29.700 -0.196 0.000 0.743 281 E HN 0.665 nan 8.360 nan 0.000 0.453 282 D N 0.330 120.682 120.400 -0.079 0.000 2.144 282 D HA -0.128 4.511 4.640 -0.001 0.000 0.200 282 D C 1.685 177.942 176.300 -0.072 0.000 0.978 282 D CA 0.864 54.802 54.000 -0.103 0.000 0.833 282 D CB -0.127 40.653 40.800 -0.033 0.000 0.961 282 D HN 0.278 nan 8.370 nan 0.000 0.470 283 E N 0.779 121.018 120.200 0.065 0.000 2.072 283 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 283 E C 2.127 178.786 176.600 0.099 0.000 0.985 283 E CA 0.853 57.323 56.400 0.118 0.000 0.801 283 E CB -0.030 29.835 29.700 0.274 0.000 0.750 283 E HN 0.165 nan 8.360 nan 0.000 0.452 284 A N 1.605 124.518 122.820 0.155 0.000 1.978 284 A HA -0.232 4.087 4.320 -0.001 0.000 0.220 284 A C 1.926 179.593 177.584 0.139 0.000 1.170 284 A CA 1.455 53.625 52.037 0.223 0.000 0.636 284 A CB -0.238 18.991 19.000 0.381 0.000 0.810 284 A HN 0.055 nan 8.150 nan 0.000 0.448 285 K N -0.750 119.653 120.400 0.005 0.000 2.116 285 K HA 0.036 4.355 4.320 -0.001 0.000 0.203 285 K C 1.815 178.358 176.600 -0.096 0.000 1.052 285 K CA 1.060 57.303 56.287 -0.073 0.000 0.952 285 K CB -0.216 32.140 32.500 -0.239 0.000 0.729 285 K HN 0.277 nan 8.250 nan 0.000 0.446 286 V N 1.026 120.834 119.914 -0.177 0.000 2.407 286 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 286 V C 1.983 178.034 176.094 -0.070 0.000 1.055 286 V CA 1.425 63.578 62.300 -0.246 0.000 1.049 286 V CB -0.348 31.108 31.823 -0.613 0.000 0.662 286 V HN 0.411 nan 8.190 nan 0.000 0.455 287 C N -0.683 118.624 119.300 0.013 0.000 2.576 287 C HA 0.276 4.735 4.460 -0.001 0.000 0.267 287 C C 1.483 176.511 174.990 0.064 0.000 1.364 287 C CA -0.285 58.777 59.018 0.074 0.000 1.723 287 C CB -1.487 26.324 27.740 0.119 0.000 1.778 287 C HN 0.670 nan 8.230 nan 0.000 0.572 288 M N -0.481 119.147 119.600 0.048 0.000 2.360 288 M HA -0.163 4.316 4.480 -0.001 0.000 0.202 288 M C 0.455 176.805 176.300 0.083 0.000 0.390 288 M CA 0.688 56.019 55.300 0.051 0.000 0.470 288 M CB -1.462 31.152 32.600 0.023 0.000 1.637 288 M HN 0.433 nan 8.290 nan 0.000 0.885 289 V N -4.059 115.932 119.914 0.128 0.000 3.172 289 V HA 0.113 4.233 4.120 -0.001 0.000 0.343 289 V C 0.902 177.111 176.094 0.191 0.000 1.429 289 V CA -0.021 62.362 62.300 0.137 0.000 1.149 289 V CB -0.324 31.579 31.823 0.134 0.000 1.106 289 V HN 0.491 nan 8.190 nan 0.000 0.526 290 Y N 3.594 123.939 120.300 0.074 0.000 2.224 290 Y HA -0.167 4.383 4.550 -0.001 0.000 0.289 290 Y C 2.232 178.191 175.900 0.098 0.000 1.146 290 Y CA 2.386 60.526 58.100 0.068 0.000 1.182 290 Y CB 0.006 38.445 38.460 -0.034 0.000 0.983 290 Y HN 0.617 nan 8.280 nan 0.000 0.524 291 D N -0.270 120.145 120.400 0.025 0.000 2.309 291 D HA -0.193 4.446 4.640 -0.001 0.000 0.212 291 D C 1.299 177.568 176.300 -0.053 0.000 0.968 291 D CA 1.248 55.218 54.000 -0.050 0.000 0.882 291 D CB -0.471 40.343 40.800 0.023 0.000 0.918 291 D HN 0.504 nan 8.370 nan 0.000 0.503 292 L N -0.909 120.313 121.223 -0.003 0.000 2.808 292 L HA 0.141 4.480 4.340 -0.001 0.000 0.246 292 L C 1.623 178.502 176.870 0.014 0.000 1.153 292 L CA -0.576 54.267 54.840 0.006 0.000 0.956 292 L CB -0.163 41.913 42.059 0.028 0.000 1.270 292 L HN -0.179 nan 8.230 nan 0.000 0.528 293 Y N 2.558 122.770 120.300 -0.146 0.000 2.062 293 Y HA -0.464 4.086 4.550 -0.001 0.000 0.273 293 Y C 2.649 178.502 175.900 -0.077 0.000 1.206 293 Y CA 2.729 60.753 58.100 -0.126 0.000 1.125 293 Y CB -0.245 38.045 38.460 -0.284 0.000 0.951 293 Y HN 0.219 nan 8.280 nan 0.000 0.501 294 K N -0.648 119.703 120.400 -0.082 0.000 2.360 294 K HA -0.092 4.227 4.320 -0.001 0.000 0.201 294 K C 1.773 178.302 176.600 -0.119 0.000 1.046 294 K CA 1.817 58.035 56.287 -0.115 0.000 0.945 294 K CB -1.666 30.812 32.500 -0.036 0.000 0.750 294 K HN 0.677 nan 8.250 nan 0.000 0.464 295 T N -1.962 112.535 114.554 -0.095 0.000 3.069 295 T HA 0.339 4.688 4.350 -0.001 0.000 0.252 295 T C 0.725 175.383 174.700 -0.069 0.000 1.053 295 T CA -0.523 61.538 62.100 -0.066 0.000 0.964 295 T CB -0.502 68.345 68.868 -0.035 0.000 1.005 295 T HN 0.292 nan 8.240 nan 0.000 0.532 296 L N 3.400 124.557 121.223 -0.109 0.000 2.514 296 L HA 0.300 4.639 4.340 -0.001 0.000 0.280 296 L C 0.987 177.818 176.870 -0.065 0.000 1.223 296 L CA 0.073 54.864 54.840 -0.081 0.000 0.864 296 L CB 0.238 42.220 42.059 -0.128 0.000 1.118 296 L HN 0.431 nan 8.230 nan 0.000 0.494 297 T N -1.035 113.505 114.554 -0.022 0.000 2.907 297 T HA 0.417 4.766 4.350 -0.001 0.000 0.290 297 T C -2.184 172.521 174.700 0.009 0.000 1.066 297 T CA -1.821 60.272 62.100 -0.012 0.000 1.012 297 T CB 1.928 70.795 68.868 -0.002 0.000 1.184 297 T HN 0.208 nan 8.240 nan 0.000 0.522 298 P HA -0.050 nan 4.420 nan 0.000 0.216 298 P C 1.507 178.833 177.300 0.045 0.000 1.153 298 P CA 0.427 63.543 63.100 0.027 0.000 0.858 298 P CB -0.029 31.683 31.700 0.020 0.000 0.789 299 I N -0.234 120.361 120.570 0.042 0.000 2.286 299 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 299 I C 1.984 178.159 176.117 0.097 0.000 1.104 299 I CA 1.707 63.043 61.300 0.060 0.000 1.397 299 I CB -0.935 37.087 38.000 0.037 0.000 1.072 299 I HN -0.083 nan 8.210 nan 0.000 0.417 300 S N 0.778 116.529 115.700 0.085 0.000 2.402 300 S HA -0.031 4.438 4.470 -0.001 0.000 0.229 300 S C 2.205 176.890 174.600 0.141 0.000 1.021 300 S CA 0.718 58.992 58.200 0.125 0.000 0.974 300 S CB -1.010 62.241 63.200 0.085 0.000 0.800 300 S HN 0.469 nan 8.310 nan 0.000 0.484 301 A N 2.029 124.908 122.820 0.099 0.000 1.930 301 A HA 0.372 4.691 4.320 -0.001 0.000 0.217 301 A C 2.498 180.150 177.584 0.114 0.000 1.175 301 A CA 1.491 53.588 52.037 0.101 0.000 0.627 301 A CB -1.368 17.678 19.000 0.076 0.000 0.815 301 A HN 0.783 nan 8.150 nan 0.000 0.443 302 A N -1.227 121.663 122.820 0.117 0.000 1.858 302 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 302 A C 2.168 179.842 177.584 0.149 0.000 1.190 302 A CA 1.716 53.826 52.037 0.121 0.000 0.617 302 A CB -0.905 18.164 19.000 0.115 0.000 0.827 302 A HN 0.687 nan 8.150 nan 0.000 0.443 303 Y N 0.698 121.047 120.300 0.081 0.000 2.224 303 Y HA -0.067 4.482 4.550 -0.001 0.000 0.289 303 Y C 2.654 178.618 175.900 0.107 0.000 1.146 303 Y CA 0.964 59.119 58.100 0.093 0.000 1.182 303 Y CB -0.617 37.891 38.460 0.080 0.000 0.983 303 Y HN 0.311 nan 8.280 nan 0.000 0.524 304 A N 0.532 123.356 122.820 0.007 0.000 1.908 304 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 304 A C 2.344 179.912 177.584 -0.026 0.000 1.181 304 A CA 1.888 53.906 52.037 -0.032 0.000 0.627 304 A CB -0.582 18.473 19.000 0.092 0.000 0.818 304 A HN 0.525 nan 8.150 nan 0.000 0.445 305 R N -0.675 119.850 120.500 0.042 0.000 2.092 305 R HA -0.007 4.332 4.340 -0.001 0.000 0.231 305 R C 2.493 178.815 176.300 0.037 0.000 1.119 305 R CA 1.026 57.181 56.100 0.093 0.000 0.970 305 R CB -0.419 29.949 30.300 0.114 0.000 0.864 305 R HN 0.521 nan 8.270 nan 0.000 0.440 306 A N 1.263 124.062 122.820 -0.035 0.000 1.858 306 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 306 A C 2.123 179.658 177.584 -0.083 0.000 1.190 306 A CA 1.248 53.265 52.037 -0.033 0.000 0.617 306 A CB -0.445 18.566 19.000 0.018 0.000 0.827 306 A HN 0.182 nan 8.150 nan 0.000 0.443 307 R N -0.615 119.703 120.500 -0.304 0.000 2.189 307 R HA -0.067 4.273 4.340 -0.001 0.000 0.218 307 R C 2.025 178.313 176.300 -0.021 0.000 1.074 307 R CA 1.020 56.993 56.100 -0.211 0.000 0.991 307 R CB -0.431 29.604 30.300 -0.443 0.000 0.883 307 R HN 0.500 nan 8.270 nan 0.000 0.457 308 G N -0.344 108.470 108.800 0.023 0.000 2.534 308 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.217 308 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.217 308 G C 1.406 176.485 174.900 0.300 0.000 1.128 308 G CA 0.525 45.723 45.100 0.162 0.000 0.784 308 G HN 0.396 nan 8.290 nan 0.000 0.542 309 A N -0.145 122.813 122.820 0.230 0.000 1.883 309 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 309 A C 1.197 178.964 177.584 0.305 0.000 1.186 309 A CA 1.702 53.881 52.037 0.237 0.000 0.624 309 A CB -0.011 19.028 19.000 0.065 0.000 0.822 309 A HN 0.281 nan 8.150 nan 0.000 0.444 310 D N -2.346 118.186 120.400 0.219 0.000 2.337 310 D HA 0.269 4.908 4.640 -0.001 0.000 0.238 310 D C 0.637 177.043 176.300 0.175 0.000 1.331 310 D CA -0.392 53.733 54.000 0.209 0.000 0.967 310 D CB 0.419 41.328 40.800 0.183 0.000 1.382 310 D HN 0.204 nan 8.370 nan 0.000 0.549 311 R N 1.719 122.320 120.500 0.169 0.000 2.159 311 R HA -0.033 4.306 4.340 -0.001 0.000 0.237 311 R C 1.963 178.367 176.300 0.175 0.000 1.131 311 R CA 1.167 57.359 56.100 0.153 0.000 0.982 311 R CB 0.235 30.611 30.300 0.127 0.000 0.868 311 R HN 0.443 nan 8.270 nan 0.000 0.453 312 M N -0.492 119.201 119.600 0.155 0.000 2.156 312 M HA -0.077 4.403 4.480 -0.001 0.000 0.264 312 M C 1.993 178.412 176.300 0.198 0.000 1.067 312 M CA 1.416 56.803 55.300 0.145 0.000 1.131 312 M CB 0.145 32.795 32.600 0.083 0.000 1.368 312 M HN 0.017 nan 8.290 nan 0.000 0.416 313 S N -0.175 115.635 115.700 0.183 0.000 2.453 313 S HA -0.027 4.443 4.470 -0.001 0.000 0.231 313 S C 1.823 176.558 174.600 0.224 0.000 1.005 313 S CA 0.845 59.163 58.200 0.196 0.000 0.949 313 S CB -0.079 63.217 63.200 0.161 0.000 0.774 313 S HN 0.347 nan 8.310 nan 0.000 0.510 314 S N 0.951 116.782 115.700 0.218 0.000 2.562 314 S HA 0.218 4.687 4.470 -0.001 0.000 0.221 314 S C 0.325 175.064 174.600 0.230 0.000 0.975 314 S CA -0.311 58.014 58.200 0.209 0.000 0.918 314 S CB -0.239 63.060 63.200 0.165 0.000 0.772 314 S HN 0.570 nan 8.310 nan 0.000 0.531 315 F N 2.844 122.865 119.950 0.118 0.000 2.557 315 F HA 0.390 4.917 4.527 -0.001 0.000 0.384 315 F C 1.200 177.072 175.800 0.120 0.000 1.057 315 F CA 0.547 58.612 58.000 0.108 0.000 1.169 315 F CB -0.242 38.813 39.000 0.092 0.000 1.070 315 F HN 0.234 nan 8.300 nan 0.000 0.554 316 G N 4.079 112.646 108.800 -0.389 0.000 2.182 316 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.248 316 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.248 316 G C -0.290 174.621 174.900 0.020 0.000 1.042 316 G CA 0.073 45.033 45.100 -0.234 0.000 0.775 316 G HN 1.051 nan 8.290 nan 0.000 0.501 317 D N -0.758 119.694 120.400 0.088 0.000 2.358 317 D HA 0.514 5.153 4.640 -0.001 0.000 0.244 317 D C -0.168 176.245 176.300 0.188 0.000 1.163 317 D CA -0.896 53.219 54.000 0.192 0.000 0.945 317 D CB 0.856 41.803 40.800 0.245 0.000 1.152 317 D HN 0.096 nan 8.370 nan 0.000 0.451 318 F N 0.670 120.726 119.950 0.177 0.000 2.426 318 F HA 0.331 4.857 4.527 -0.001 0.000 0.348 318 F C -0.580 175.321 175.800 0.168 0.000 1.124 318 F CA -0.850 57.223 58.000 0.121 0.000 1.008 318 F CB 1.325 40.366 39.000 0.069 0.000 1.139 318 F HN 0.108 nan 8.300 nan 0.000 0.452 319 V N 5.050 124.947 119.914 -0.028 0.000 2.607 319 V HA 0.756 4.875 4.120 -0.001 0.000 0.289 319 V C 0.018 176.223 176.094 0.185 0.000 1.053 319 V CA -0.526 61.842 62.300 0.115 0.000 0.996 319 V CB 1.087 32.839 31.823 -0.119 0.000 0.995 319 V HN 0.906 nan 8.190 nan 0.000 0.476 320 A N 5.422 128.370 122.820 0.213 0.000 2.374 320 A HA 0.886 5.206 4.320 -0.001 0.000 0.305 320 A C -1.135 176.555 177.584 0.176 0.000 1.053 320 A CA -0.539 51.621 52.037 0.205 0.000 0.726 320 A CB 1.153 20.253 19.000 0.167 0.000 1.229 320 A HN 0.744 nan 8.150 nan 0.000 0.431 321 L N 1.992 123.315 121.223 0.166 0.000 2.381 321 L HA 0.470 4.809 4.340 -0.001 0.000 0.268 321 L C 1.322 178.305 176.870 0.188 0.000 0.997 321 L CA -0.514 54.399 54.840 0.122 0.000 0.818 321 L CB 2.378 44.453 42.059 0.026 0.000 1.310 321 L HN 0.885 nan 8.230 nan 0.000 0.416 322 S N -1.173 114.589 115.700 0.103 0.000 2.528 322 S HA 0.116 4.585 4.470 -0.001 0.000 0.219 322 S C 0.150 174.811 174.600 0.102 0.000 0.985 322 S CA 0.113 58.353 58.200 0.067 0.000 0.914 322 S CB -0.082 63.094 63.200 -0.041 0.000 0.776 322 S HN 0.708 nan 8.310 nan 0.000 0.526 323 D N 0.161 120.598 120.400 0.063 0.000 2.493 323 D HA 0.513 5.152 4.640 -0.001 0.000 0.239 323 D C -0.990 175.284 176.300 -0.043 0.000 1.049 323 D CA -0.664 53.349 54.000 0.022 0.000 1.008 323 D CB 1.738 42.544 40.800 0.011 0.000 1.398 323 D HN -0.047 nan 8.370 nan 0.000 0.513 324 V N 1.019 120.893 119.914 -0.067 0.000 2.644 324 V HA -0.086 4.033 4.120 -0.001 0.000 0.305 324 V C 0.607 176.616 176.094 -0.141 0.000 1.053 324 V CA -0.267 61.951 62.300 -0.138 0.000 1.186 324 V CB 0.436 32.211 31.823 -0.080 0.000 0.895 324 V HN 0.720 nan 8.190 nan 0.000 0.490 325 C N 7.289 126.440 119.300 -0.249 0.000 2.627 325 C HA 0.358 4.817 4.460 -0.001 0.000 0.404 325 C C 0.403 175.372 174.990 -0.035 0.000 1.340 325 C CA -0.748 58.187 59.018 -0.139 0.000 1.758 325 C CB -1.194 26.458 27.740 -0.148 0.000 2.501 325 C HN 1.041 nan 8.230 nan 0.000 0.588 326 D N 4.091 124.483 120.400 -0.013 0.000 2.387 326 D HA 0.255 4.894 4.640 -0.001 0.000 0.255 326 D C 0.942 177.249 176.300 0.013 0.000 1.081 326 D CA -0.790 53.212 54.000 0.004 0.000 0.994 326 D CB 0.719 41.519 40.800 0.001 0.000 1.127 326 D HN 0.256 nan 8.370 nan 0.000 0.513 327 V N 0.418 120.339 119.914 0.011 0.000 2.324 327 V HA -0.150 3.970 4.120 -0.001 0.000 0.250 327 V C -0.881 175.216 176.094 0.005 0.000 1.060 327 V CA 1.946 64.251 62.300 0.007 0.000 1.042 327 V CB -1.554 30.270 31.823 0.003 0.000 0.650 327 V HN 0.596 nan 8.190 nan 0.000 0.450 328 P HA -0.089 nan 4.420 nan 0.000 0.218 328 P C 1.771 179.090 177.300 0.031 0.000 1.149 328 P CA 1.517 64.626 63.100 0.015 0.000 0.817 328 P CB -0.150 31.557 31.700 0.012 0.000 0.785 329 T N -0.733 113.838 114.554 0.028 0.000 2.812 329 T HA -0.060 4.289 4.350 -0.001 0.000 0.264 329 T C 1.918 176.611 174.700 -0.011 0.000 1.042 329 T CA 1.465 63.583 62.100 0.029 0.000 1.140 329 T CB -0.899 67.972 68.868 0.004 0.000 0.870 329 T HN 0.019 nan 8.240 nan 0.000 0.445 330 A N 1.739 124.551 122.820 -0.013 0.000 1.933 330 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 330 A C 2.251 179.807 177.584 -0.047 0.000 1.175 330 A CA 1.493 53.509 52.037 -0.035 0.000 0.628 330 A CB -0.399 18.595 19.000 -0.011 0.000 0.814 330 A HN 0.432 nan 8.150 nan 0.000 0.444 331 K N -0.498 119.890 120.400 -0.019 0.000 2.097 331 K HA 0.026 4.345 4.320 -0.001 0.000 0.205 331 K C 1.767 178.367 176.600 -0.000 0.000 1.050 331 K CA 1.298 57.575 56.287 -0.017 0.000 0.938 331 K CB -0.301 32.196 32.500 -0.005 0.000 0.718 331 K HN 0.524 nan 8.250 nan 0.000 0.442 332 I N 0.983 121.575 120.570 0.037 0.000 2.179 332 I HA -0.299 3.871 4.170 -0.001 0.000 0.242 332 I C 2.201 178.368 176.117 0.083 0.000 1.088 332 I CA 1.389 62.742 61.300 0.089 0.000 1.357 332 I CB -0.236 37.872 38.000 0.179 0.000 1.051 332 I HN 0.127 nan 8.210 nan 0.000 0.409 333 I N -0.261 120.326 120.570 0.027 0.000 2.353 333 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 333 I C 2.765 178.804 176.117 -0.130 0.000 1.119 333 I CA 1.084 62.356 61.300 -0.046 0.000 1.417 333 I CB -0.331 37.554 38.000 -0.191 0.000 1.078 333 I HN 0.200 nan 8.210 nan 0.000 0.421 334 S N 1.542 117.156 115.700 -0.142 0.000 2.392 334 S HA -0.246 4.223 4.470 -0.001 0.000 0.232 334 S C 2.057 176.583 174.600 -0.123 0.000 1.041 334 S CA 1.789 59.887 58.200 -0.169 0.000 1.026 334 S CB -0.270 62.859 63.200 -0.119 0.000 0.845 334 S HN 0.528 nan 8.310 nan 0.000 0.465 335 R N -0.099 120.362 120.500 -0.065 0.000 2.334 335 R HA 0.247 4.586 4.340 -0.001 0.000 0.220 335 R C -0.263 176.022 176.300 -0.024 0.000 0.917 335 R CA -0.032 56.044 56.100 -0.041 0.000 1.073 335 R CB 0.051 30.339 30.300 -0.020 0.000 1.056 335 R HN 0.296 nan 8.270 nan 0.000 0.506 336 E N 1.136 121.320 120.200 -0.027 0.000 2.249 336 E HA 0.256 4.605 4.350 -0.001 0.000 0.263 336 E C -0.710 175.860 176.600 -0.051 0.000 0.950 336 E CA -1.132 55.269 56.400 0.001 0.000 0.827 336 E CB 2.499 32.237 29.700 0.063 0.000 1.220 336 E HN -0.117 nan 8.360 nan 0.000 0.411 337 V N 1.583 121.455 119.914 -0.069 0.000 2.389 337 V HA 0.259 4.379 4.120 -0.001 0.000 0.264 337 V C 0.355 176.335 176.094 -0.190 0.000 1.049 337 V CA 0.044 62.220 62.300 -0.207 0.000 0.932 337 V CB 0.597 32.121 31.823 -0.499 0.000 1.011 337 V HN 0.539 nan 8.190 nan 0.000 0.475 338 S N 2.531 118.176 115.700 -0.091 0.000 2.564 338 S HA 0.479 4.949 4.470 -0.001 0.000 0.274 338 S C 0.102 174.779 174.600 0.130 0.000 1.124 338 S CA -0.598 57.620 58.200 0.030 0.000 0.869 338 S CB 2.167 65.429 63.200 0.104 0.000 1.105 338 S HN 0.715 nan 8.310 nan 0.000 0.472 339 D N 1.318 121.743 120.400 0.042 0.000 2.277 339 D HA 0.406 5.045 4.640 -0.001 0.000 0.209 339 D C 0.841 176.901 176.300 -0.399 0.000 0.970 339 D CA 1.284 55.262 54.000 -0.037 0.000 0.874 339 D CB 0.400 41.228 40.800 0.046 0.000 0.982 339 D HN 0.764 nan 8.370 nan 0.000 0.504 340 G N -0.593 107.720 108.800 -0.812 0.000 2.342 340 G HA2 0.492 4.451 3.960 -0.001 0.000 0.297 340 G HA3 0.492 4.451 3.960 -0.001 0.000 0.297 340 G C -1.965 171.955 174.900 -1.633 0.000 1.313 340 G CA -0.720 43.446 45.100 -1.558 0.000 0.830 340 G HN 0.085 nan 8.290 nan 0.000 0.506 341 I N -0.460 119.408 120.570 -1.170 0.000 2.841 341 I HA 0.784 4.953 4.170 -0.001 0.000 0.298 341 I C -1.725 174.410 176.117 0.030 0.000 1.304 341 I CA -1.224 59.799 61.300 -0.462 0.000 1.019 341 I CB 2.203 40.160 38.000 -0.072 0.000 1.282 341 I HN 0.712 nan 8.210 nan 0.000 0.432 342 I N 6.565 127.265 120.570 0.217 0.000 2.647 342 I HA 0.906 5.076 4.170 -0.001 0.000 0.295 342 I C -1.122 175.043 176.117 0.080 0.000 1.078 342 I CA -0.159 61.252 61.300 0.185 0.000 1.048 342 I CB 1.725 39.825 38.000 0.167 0.000 1.239 342 I HN 0.781 nan 8.210 nan 0.000 0.421 343 A N 7.103 129.881 122.820 -0.070 0.000 2.586 343 A HA 0.656 4.975 4.320 -0.001 0.000 0.290 343 A C -2.691 174.706 177.584 -0.312 0.000 1.086 343 A CA -0.823 51.100 52.037 -0.191 0.000 0.665 343 A CB 1.170 19.917 19.000 -0.421 0.000 1.279 343 A HN 0.476 nan 8.150 nan 0.000 0.423 344 P HA 0.206 nan 4.420 nan 0.000 0.233 344 P C 0.721 177.922 177.300 -0.165 0.000 1.167 344 P CA 1.634 64.632 63.100 -0.171 0.000 0.770 344 P CB 0.438 32.154 31.700 0.027 0.000 0.837 345 G N -1.498 107.123 108.800 -0.299 0.000 2.356 345 G HA2 0.449 4.409 3.960 -0.001 0.000 0.294 345 G HA3 0.449 4.409 3.960 -0.001 0.000 0.294 345 G C -2.347 172.238 174.900 -0.525 0.000 1.423 345 G CA -0.671 44.293 45.100 -0.227 0.000 0.806 345 G HN -0.110 nan 8.290 nan 0.000 0.527 346 Y N -0.147 120.139 120.300 -0.024 0.000 2.492 346 Y HA 0.573 5.122 4.550 -0.001 0.000 0.346 346 Y C 0.357 176.247 175.900 -0.017 0.000 0.997 346 Y CA -0.888 57.200 58.100 -0.020 0.000 1.025 346 Y CB 2.235 40.679 38.460 -0.025 0.000 1.263 346 Y HN 0.600 nan 8.280 nan 0.000 0.454 347 E N 1.019 121.287 120.200 0.113 0.000 2.373 347 E HA 0.219 4.568 4.350 -0.001 0.000 0.267 347 E C 1.108 177.753 176.600 0.075 0.000 1.032 347 E CA 0.645 57.084 56.400 0.065 0.000 0.889 347 E CB 0.993 30.715 29.700 0.036 0.000 0.984 347 E HN 0.924 nan 8.360 nan 0.000 0.425 348 E N 3.340 123.568 120.200 0.046 0.000 2.108 348 E HA -0.336 4.013 4.350 -0.001 0.000 0.203 348 E C 1.710 178.322 176.600 0.020 0.000 1.022 348 E CA 2.210 58.627 56.400 0.029 0.000 0.823 348 E CB -0.577 29.132 29.700 0.015 0.000 0.744 348 E HN 0.764 nan 8.360 nan 0.000 0.456 349 E N -0.649 119.562 120.200 0.017 0.000 2.106 349 E HA 0.021 4.370 4.350 -0.001 0.000 0.192 349 E C 2.434 179.041 176.600 0.011 0.000 0.984 349 E CA 0.774 57.178 56.400 0.007 0.000 0.806 349 E CB -0.225 29.477 29.700 0.004 0.000 0.750 349 E HN 0.516 nan 8.360 nan 0.000 0.458 350 A N 1.181 124.021 122.820 0.034 0.000 1.908 350 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 350 A C 2.114 179.723 177.584 0.041 0.000 1.181 350 A CA 1.270 53.337 52.037 0.050 0.000 0.627 350 A CB -0.648 18.410 19.000 0.098 0.000 0.818 350 A HN 0.365 nan 8.150 nan 0.000 0.445 351 L N -0.098 121.149 121.223 0.040 0.000 2.017 351 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 351 L C 2.476 179.308 176.870 -0.064 0.000 1.073 351 L CA 2.868 57.675 54.840 -0.054 0.000 0.745 351 L CB -1.261 40.758 42.059 -0.066 0.000 0.894 351 L HN 0.392 nan 8.230 nan 0.000 0.432 352 T N 0.125 114.657 114.554 -0.038 0.000 2.699 352 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 352 T C 1.999 176.670 174.700 -0.048 0.000 1.036 352 T CA 2.110 64.186 62.100 -0.040 0.000 1.147 352 T CB -0.364 68.487 68.868 -0.027 0.000 0.862 352 T HN 0.337 nan 8.240 nan 0.000 0.446 353 I N 0.530 121.072 120.570 -0.047 0.000 2.142 353 I HA -0.132 4.037 4.170 -0.001 0.000 0.240 353 I C 2.355 178.410 176.117 -0.102 0.000 1.078 353 I CA 1.261 62.522 61.300 -0.065 0.000 1.343 353 I CB -0.444 37.523 38.000 -0.057 0.000 1.046 353 I HN 0.201 nan 8.210 nan 0.000 0.405 354 L N 0.044 121.205 121.223 -0.104 0.000 2.017 354 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 354 L C 2.667 179.485 176.870 -0.086 0.000 1.073 354 L CA 1.329 56.078 54.840 -0.152 0.000 0.745 354 L CB -0.675 41.354 42.059 -0.050 0.000 0.894 354 L HN 0.177 nan 8.230 nan 0.000 0.432 355 S N -0.176 115.495 115.700 -0.047 0.000 2.440 355 S HA -0.238 4.231 4.470 -0.001 0.000 0.240 355 S C 2.333 176.919 174.600 -0.022 0.000 1.014 355 S CA 1.693 59.880 58.200 -0.022 0.000 0.980 355 S CB -0.417 62.751 63.200 -0.053 0.000 0.775 355 S HN 0.552 nan 8.310 nan 0.000 0.499 356 K N 1.729 122.095 120.400 -0.055 0.000 2.103 356 K HA 0.058 4.377 4.320 -0.001 0.000 0.204 356 K C 0.834 177.398 176.600 -0.059 0.000 1.052 356 K CA 0.864 57.119 56.287 -0.054 0.000 0.945 356 K CB -0.574 31.888 32.500 -0.064 0.000 0.722 356 K HN 0.463 nan 8.250 nan 0.000 0.443 357 K N 0.500 120.831 120.400 -0.114 0.000 2.494 357 K HA 0.042 4.361 4.320 -0.001 0.000 0.273 357 K C -0.271 176.325 176.600 -0.007 0.000 0.970 357 K CA 0.303 56.511 56.287 -0.132 0.000 0.963 357 K CB 0.205 32.470 32.500 -0.392 0.000 0.913 357 K HN 0.345 nan 8.250 nan 0.000 0.502 358 K N 2.460 122.858 120.400 -0.003 0.000 3.278 358 K HA -0.302 4.017 4.320 -0.001 0.000 0.270 358 K C -0.842 175.773 176.600 0.024 0.000 0.955 358 K CA 0.534 56.840 56.287 0.031 0.000 0.723 358 K CB -1.499 31.051 32.500 0.082 0.000 1.382 358 K HN 0.784 nan 8.250 nan 0.000 0.461 359 N N -1.272 117.431 118.700 0.006 0.000 2.727 359 N HA -0.223 4.516 4.740 -0.001 0.000 0.249 359 N C 0.700 176.212 175.510 0.004 0.000 1.048 359 N CA 1.672 54.724 53.050 0.003 0.000 0.714 359 N CB -1.344 37.148 38.487 0.007 0.000 0.959 359 N HN 0.925 nan 8.380 nan 0.000 0.544 360 G N -0.634 108.168 108.800 0.004 0.000 2.148 360 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.254 360 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.254 360 G C 0.644 175.551 174.900 0.012 0.000 0.981 360 G CA 0.508 45.610 45.100 0.003 0.000 0.670 360 G HN 0.524 nan 8.290 nan 0.000 0.528 361 N N -0.870 117.847 118.700 0.029 0.000 2.184 361 N HA 0.118 4.857 4.740 -0.001 0.000 0.206 361 N C 0.448 175.978 175.510 0.033 0.000 1.151 361 N CA -0.364 52.698 53.050 0.020 0.000 0.878 361 N CB 0.303 38.798 38.487 0.014 0.000 1.014 361 N HN 0.495 nan 8.380 nan 0.000 0.512 362 Y N 2.047 122.304 120.300 -0.072 0.000 2.810 362 Y HA -0.116 4.433 4.550 -0.001 0.000 0.332 362 Y C 0.573 176.411 175.900 -0.103 0.000 1.243 362 Y CA -0.426 57.617 58.100 -0.094 0.000 1.537 362 Y CB 0.307 38.698 38.460 -0.115 0.000 1.265 362 Y HN 0.057 nan 8.280 nan 0.000 0.572 363 C N 7.832 126.766 119.300 -0.611 0.000 2.555 363 C HA 0.534 4.993 4.460 -0.001 0.000 0.385 363 C C -0.556 174.110 174.990 -0.539 0.000 1.296 363 C CA -0.602 58.155 59.018 -0.436 0.000 1.757 363 C CB -2.036 25.555 27.740 -0.248 0.000 2.445 363 C HN 0.600 nan 8.230 nan 0.000 0.571 364 V N 8.752 128.487 119.914 -0.298 0.000 2.409 364 V HA 0.429 4.548 4.120 -0.001 0.000 0.290 364 V C -0.142 175.853 176.094 -0.165 0.000 1.017 364 V CA -0.271 61.866 62.300 -0.271 0.000 0.841 364 V CB 1.268 32.873 31.823 -0.364 0.000 1.003 364 V HN 0.748 nan 8.190 nan 0.000 0.426 365 L N 4.296 125.500 121.223 -0.032 0.000 2.334 365 L HA 0.648 4.988 4.340 -0.001 0.000 0.276 365 L C -0.272 176.649 176.870 0.085 0.000 1.014 365 L CA -0.515 54.324 54.840 -0.001 0.000 0.815 365 L CB 2.052 44.114 42.059 0.005 0.000 1.268 365 L HN 0.604 nan 8.230 nan 0.000 0.428 366 Q N 2.788 122.598 119.800 0.016 0.000 2.307 366 Q HA 0.518 4.858 4.340 -0.001 0.000 0.262 366 Q C -1.106 174.773 176.000 -0.203 0.000 0.961 366 Q CA -0.820 54.985 55.803 0.004 0.000 0.882 366 Q CB 1.966 30.732 28.738 0.046 0.000 1.264 366 Q HN 0.526 nan 8.270 nan 0.000 0.446 367 M N 3.675 123.041 119.600 -0.390 0.000 2.268 367 M HA 0.272 4.751 4.480 -0.001 0.000 0.344 367 M C -1.277 174.746 176.300 -0.462 0.000 1.106 367 M CA -0.643 54.281 55.300 -0.626 0.000 1.010 367 M CB 1.470 33.265 32.600 -1.341 0.000 1.649 367 M HN 0.521 nan 8.290 nan 0.000 0.443 368 D N 3.178 123.408 120.400 -0.284 0.000 2.346 368 D HA 0.034 4.673 4.640 -0.001 0.000 0.260 368 D C 0.594 176.915 176.300 0.037 0.000 1.252 368 D CA 0.274 54.221 54.000 -0.088 0.000 0.895 368 D CB 0.886 41.672 40.800 -0.023 0.000 1.097 368 D HN 0.784 nan 8.370 nan 0.000 0.489 369 Q N 1.794 121.666 119.800 0.120 0.000 2.472 369 Q HA -0.077 4.262 4.340 -0.001 0.000 0.208 369 Q C 1.108 177.259 176.000 0.251 0.000 0.958 369 Q CA 0.640 56.650 55.803 0.345 0.000 0.932 369 Q CB -0.020 28.950 28.738 0.387 0.000 1.007 369 Q HN 0.348 nan 8.270 nan 0.000 0.508 370 S N -0.673 115.127 115.700 0.167 0.000 2.528 370 S HA -0.054 4.416 4.470 -0.001 0.000 0.219 370 S C 0.367 175.045 174.600 0.130 0.000 0.985 370 S CA -0.645 57.626 58.200 0.119 0.000 0.914 370 S CB -0.437 62.810 63.200 0.079 0.000 0.776 370 S HN 0.521 nan 8.310 nan 0.000 0.526 371 Y N 3.170 123.513 120.300 0.072 0.000 2.511 371 Y HA 0.397 4.946 4.550 -0.001 0.000 0.332 371 Y C 0.068 176.018 175.900 0.084 0.000 1.177 371 Y CA 0.531 58.667 58.100 0.060 0.000 1.422 371 Y CB -0.007 38.477 38.460 0.040 0.000 1.271 371 Y HN 0.377 nan 8.280 nan 0.000 0.550 372 K N 7.398 127.323 120.400 -0.792 0.000 2.468 372 K HA 0.590 4.909 4.320 -0.001 0.000 0.252 372 K C -3.154 172.938 176.600 -0.846 0.000 0.932 372 K CA -1.617 54.318 56.287 -0.587 0.000 0.794 372 K CB 0.826 33.176 32.500 -0.250 0.000 1.241 372 K HN 0.635 nan 8.250 nan 0.000 0.428 373 P HA 0.329 nan 4.420 nan 0.000 0.276 373 P C -1.050 176.172 177.300 -0.130 0.000 1.244 373 P CA -0.309 62.638 63.100 -0.256 0.000 0.801 373 P CB 0.648 32.337 31.700 -0.017 0.000 1.006 374 D N 0.849 121.215 120.400 -0.056 0.000 2.361 374 D HA 0.003 4.643 4.640 -0.001 0.000 0.239 374 D C 1.364 177.655 176.300 -0.015 0.000 1.200 374 D CA 0.022 54.004 54.000 -0.030 0.000 0.915 374 D CB 0.783 41.581 40.800 -0.002 0.000 1.170 374 D HN 0.423 nan 8.370 nan 0.000 0.444 375 E N -0.163 120.030 120.200 -0.012 0.000 2.208 375 E HA -0.081 4.269 4.350 -0.001 0.000 0.193 375 E C 0.657 177.264 176.600 0.012 0.000 0.988 375 E CA 0.380 56.778 56.400 -0.002 0.000 0.828 375 E CB 0.247 29.943 29.700 -0.007 0.000 0.763 375 E HN 0.322 nan 8.360 nan 0.000 0.478 376 N N 1.433 120.141 118.700 0.014 0.000 2.487 376 N HA 0.043 4.782 4.740 -0.001 0.000 0.292 376 N C -1.044 174.484 175.510 0.031 0.000 1.108 376 N CA 0.042 53.106 53.050 0.022 0.000 0.956 376 N CB 1.119 39.617 38.487 0.018 0.000 1.176 376 N HN 0.020 nan 8.380 nan 0.000 0.484 377 E N 0.366 120.590 120.200 0.040 0.000 2.356 377 E HA 0.496 4.846 4.350 -0.001 0.000 0.275 377 E C -1.590 175.044 176.600 0.055 0.000 0.904 377 E CA -0.997 55.431 56.400 0.047 0.000 0.757 377 E CB 2.093 31.828 29.700 0.059 0.000 1.232 377 E HN 0.188 nan 8.360 nan 0.000 0.442 378 V N 1.655 121.604 119.914 0.058 0.000 2.876 378 V HA 0.750 4.869 4.120 -0.001 0.000 0.312 378 V C -1.353 174.799 176.094 0.096 0.000 1.085 378 V CA -0.609 61.738 62.300 0.078 0.000 0.945 378 V CB 1.870 33.734 31.823 0.069 0.000 1.017 378 V HN 0.882 nan 8.190 nan 0.000 0.428 379 R N 2.495 123.068 120.500 0.122 0.000 2.837 379 R HA 0.777 5.116 4.340 -0.001 0.000 0.271 379 R C -1.313 175.083 176.300 0.160 0.000 0.993 379 R CA -0.697 55.480 56.100 0.129 0.000 0.931 379 R CB 2.039 32.402 30.300 0.105 0.000 1.206 379 R HN 0.528 nan 8.270 nan 0.000 0.474 380 T N 2.208 116.851 114.554 0.148 0.000 2.823 380 T HA 0.479 4.829 4.350 -0.001 0.000 0.279 380 T C -1.266 173.469 174.700 0.059 0.000 0.998 380 T CA -0.616 61.541 62.100 0.095 0.000 0.994 380 T CB 1.152 70.092 68.868 0.121 0.000 0.960 380 T HN 0.424 nan 8.240 nan 0.000 0.448 381 L N 4.547 125.784 121.223 0.024 0.000 2.441 381 L HA 0.569 4.908 4.340 -0.001 0.000 0.270 381 L C -0.376 176.578 176.870 0.140 0.000 0.973 381 L CA -0.706 54.179 54.840 0.075 0.000 0.842 381 L CB 0.704 42.801 42.059 0.063 0.000 1.239 381 L HN 0.706 nan 8.230 nan 0.000 0.406 382 F N 5.841 125.766 119.950 -0.042 0.000 3.004 382 F HA -0.115 4.412 4.527 -0.001 0.000 0.264 382 F C 1.353 177.111 175.800 -0.071 0.000 0.979 382 F CA 1.662 59.636 58.000 -0.043 0.000 0.896 382 F CB -0.979 37.999 39.000 -0.036 0.000 0.813 382 F HN 1.104 nan 8.300 nan 0.000 0.804 383 G N -0.089 108.636 108.800 -0.125 0.000 2.212 383 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.266 383 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.266 383 G C 0.451 175.129 174.900 -0.369 0.000 0.978 383 G CA 0.388 45.344 45.100 -0.240 0.000 0.632 383 G HN 0.739 nan 8.290 nan 0.000 0.537 384 L N 0.529 121.570 121.223 -0.304 0.000 2.400 384 L HA 0.626 4.966 4.340 -0.001 0.000 0.264 384 L C 0.322 176.901 176.870 -0.484 0.000 1.061 384 L CA -1.225 53.405 54.840 -0.349 0.000 0.799 384 L CB 1.047 43.054 42.059 -0.085 0.000 1.240 384 L HN 0.106 nan 8.230 nan 0.000 0.461 385 H N 2.119 121.218 119.070 0.048 0.000 2.505 385 H HA 0.453 5.008 4.556 -0.001 0.000 0.338 385 H C -0.905 174.452 175.328 0.049 0.000 1.057 385 H CA -0.522 55.556 56.048 0.050 0.000 1.202 385 H CB 2.060 31.849 29.762 0.045 0.000 1.466 385 H HN 0.314 nan 8.280 nan 0.000 0.499 386 L N 2.223 123.535 121.223 0.148 0.000 2.287 386 L HA 0.291 4.630 4.340 -0.001 0.000 0.287 386 L C 0.410 177.342 176.870 0.103 0.000 1.022 386 L CA -0.398 54.505 54.840 0.105 0.000 0.814 386 L CB 1.642 43.750 42.059 0.081 0.000 1.217 386 L HN 0.429 nan 8.230 nan 0.000 0.420 387 S N 3.545 119.296 115.700 0.085 0.000 2.532 387 S HA 0.798 5.267 4.470 -0.001 0.000 0.301 387 S C -1.046 173.589 174.600 0.058 0.000 1.083 387 S CA -0.468 57.773 58.200 0.069 0.000 1.025 387 S CB 1.549 64.783 63.200 0.057 0.000 1.056 387 S HN 0.672 nan 8.310 nan 0.000 0.494 388 Q N 1.675 121.507 119.800 0.053 0.000 2.578 388 Q HA 0.402 4.742 4.340 -0.001 0.000 0.284 388 Q C -1.665 174.359 176.000 0.041 0.000 0.960 388 Q CA -1.155 54.676 55.803 0.047 0.000 0.809 388 Q CB 0.925 29.698 28.738 0.058 0.000 1.462 388 Q HN 0.590 nan 8.270 nan 0.000 0.392 389 K N 1.750 122.169 120.400 0.032 0.000 2.326 389 K HA 0.211 4.531 4.320 -0.001 0.000 0.275 389 K C -0.030 176.589 176.600 0.033 0.000 1.018 389 K CA -0.469 55.833 56.287 0.025 0.000 0.962 389 K CB 0.765 33.272 32.500 0.013 0.000 0.953 389 K HN 0.754 nan 8.250 nan 0.000 0.475 390 R N 2.299 122.820 120.500 0.036 0.000 2.822 390 R HA 0.005 4.345 4.340 -0.001 0.000 0.277 390 R C -0.078 176.241 176.300 0.032 0.000 1.102 390 R CA -0.505 55.624 56.100 0.049 0.000 1.207 390 R CB 0.093 30.427 30.300 0.057 0.000 1.139 390 R HN 0.504 nan 8.270 nan 0.000 0.557 391 N N 1.045 119.765 118.700 0.033 0.000 2.508 391 N HA 0.016 4.755 4.740 -0.001 0.000 0.253 391 N C -1.058 174.442 175.510 -0.018 0.000 1.145 391 N CA -0.134 52.911 53.050 -0.008 0.000 0.973 391 N CB 0.048 38.508 38.487 -0.044 0.000 1.305 391 N HN 0.479 nan 8.380 nan 0.000 0.506 392 N N 1.456 120.146 118.700 -0.018 0.000 2.376 392 N HA 0.134 4.873 4.740 -0.001 0.000 0.249 392 N C 0.275 175.762 175.510 -0.038 0.000 1.140 392 N CA -0.178 52.862 53.050 -0.017 0.000 0.870 392 N CB 0.463 38.942 38.487 -0.013 0.000 1.124 392 N HN 0.490 nan 8.380 nan 0.000 0.505 393 G N 0.171 108.935 108.800 -0.061 0.000 2.305 393 G HA2 0.178 4.137 3.960 -0.001 0.000 0.243 393 G HA3 0.178 4.137 3.960 -0.001 0.000 0.243 393 G C 0.230 175.086 174.900 -0.073 0.000 1.288 393 G CA -0.081 44.971 45.100 -0.079 0.000 0.901 393 G HN 0.041 nan 8.290 nan 0.000 0.516 394 V N 3.030 122.897 119.914 -0.078 0.000 2.461 394 V HA 0.193 4.312 4.120 -0.001 0.000 0.275 394 V C 0.287 176.324 176.094 -0.095 0.000 1.047 394 V CA -0.464 61.794 62.300 -0.071 0.000 0.955 394 V CB 1.482 33.264 31.823 -0.068 0.000 0.988 394 V HN 0.469 nan 8.190 nan 0.000 0.471 395 V N 6.075 125.956 119.914 -0.055 0.000 2.311 395 V HA 0.544 4.663 4.120 -0.001 0.000 0.275 395 V C -0.394 175.711 176.094 0.019 0.000 1.022 395 V CA -0.381 61.899 62.300 -0.033 0.000 0.830 395 V CB 1.105 32.960 31.823 0.052 0.000 1.012 395 V HN 1.119 nan 8.190 nan 0.000 0.452 396 D N 3.600 123.992 120.400 -0.013 0.000 2.677 396 D HA 0.442 5.081 4.640 -0.001 0.000 0.298 396 D C 0.926 177.289 176.300 0.105 0.000 1.250 396 D CA -0.100 53.931 54.000 0.051 0.000 0.888 396 D CB 1.532 42.329 40.800 -0.006 0.000 1.397 396 D HN 0.175 nan 8.370 nan 0.000 0.461 397 K N 0.140 120.613 120.400 0.122 0.000 2.044 397 K HA -0.178 4.141 4.320 -0.001 0.000 0.210 397 K C 2.052 178.707 176.600 0.092 0.000 1.049 397 K CA 2.618 59.002 56.287 0.162 0.000 0.927 397 K CB -1.411 31.134 32.500 0.075 0.000 0.713 397 K HN 0.438 nan 8.250 nan 0.000 0.443 398 S N 0.194 115.891 115.700 -0.006 0.000 2.402 398 S HA -0.141 4.329 4.470 -0.001 0.000 0.233 398 S C 2.025 176.535 174.600 -0.151 0.000 1.030 398 S CA 1.531 59.697 58.200 -0.057 0.000 1.003 398 S CB -0.382 62.782 63.200 -0.060 0.000 0.813 398 S HN 0.551 nan 8.310 nan 0.000 0.477 399 L N 0.500 121.534 121.223 -0.315 0.000 2.083 399 L HA 0.100 4.439 4.340 -0.001 0.000 0.209 399 L C 1.138 177.622 176.870 -0.643 0.000 1.083 399 L CA 1.853 56.350 54.840 -0.571 0.000 0.752 399 L CB -0.704 40.810 42.059 -0.908 0.000 0.899 399 L HN 0.388 nan 8.230 nan 0.000 0.433 400 F N -1.064 118.866 119.950 -0.034 0.000 2.692 400 F HA 0.193 4.719 4.527 -0.001 0.000 0.303 400 F C 2.283 178.066 175.800 -0.028 0.000 1.114 400 F CA 0.435 58.415 58.000 -0.033 0.000 1.361 400 F CB -1.136 37.838 39.000 -0.043 0.000 1.063 400 F HN 0.194 nan 8.300 nan 0.000 0.550 401 S N -0.841 114.882 115.700 0.039 0.000 2.561 401 S HA -0.105 4.364 4.470 -0.001 0.000 0.225 401 S C 0.971 175.584 174.600 0.021 0.000 0.977 401 S CA 0.313 58.531 58.200 0.030 0.000 0.926 401 S CB -0.588 62.611 63.200 -0.002 0.000 0.769 401 S HN 0.328 nan 8.310 nan 0.000 0.533 402 N N 1.817 120.528 118.700 0.019 0.000 3.234 402 N HA 0.256 4.995 4.740 -0.001 0.000 0.272 402 N C -1.075 174.457 175.510 0.037 0.000 1.254 402 N CA -0.339 52.724 53.050 0.022 0.000 1.087 402 N CB 0.516 39.012 38.487 0.015 0.000 1.356 402 N HN 0.099 nan 8.380 nan 0.000 0.511 403 V N 2.454 122.387 119.914 0.032 0.000 2.470 403 V HA 0.028 4.147 4.120 -0.001 0.000 0.276 403 V C 1.465 177.563 176.094 0.006 0.000 1.040 403 V CA -0.208 62.105 62.300 0.022 0.000 1.008 403 V CB 1.055 32.894 31.823 0.027 0.000 0.990 403 V HN 0.506 nan 8.190 nan 0.000 0.477 404 V N 1.661 121.564 119.914 -0.019 0.000 3.578 404 V HA 0.173 4.292 4.120 -0.001 0.000 0.290 404 V C 0.881 176.962 176.094 -0.022 0.000 1.376 404 V CA 0.386 62.676 62.300 -0.017 0.000 1.083 404 V CB -0.356 31.457 31.823 -0.016 0.000 0.911 404 V HN 0.839 nan 8.190 nan 0.000 0.433 405 T N -2.479 112.060 114.554 -0.025 0.000 2.849 405 T HA 0.565 4.914 4.350 -0.001 0.000 0.284 405 T C 1.426 176.123 174.700 -0.005 0.000 1.004 405 T CA 0.256 62.346 62.100 -0.017 0.000 1.021 405 T CB 1.430 70.287 68.868 -0.018 0.000 1.013 405 T HN 0.480 nan 8.240 nan 0.000 0.527 406 K N 0.652 121.050 120.400 -0.003 0.000 2.103 406 K HA -0.079 4.240 4.320 -0.001 0.000 0.207 406 K C 1.154 177.755 176.600 0.003 0.000 1.048 406 K CA 1.581 57.868 56.287 0.000 0.000 0.930 406 K CB -1.000 31.499 32.500 -0.001 0.000 0.716 406 K HN 0.770 nan 8.250 nan 0.000 0.444 407 N N 1.083 119.785 118.700 0.003 0.000 2.430 407 N HA 0.048 4.787 4.740 -0.001 0.000 0.265 407 N C 0.094 175.615 175.510 0.017 0.000 1.100 407 N CA -0.133 52.922 53.050 0.010 0.000 0.961 407 N CB 1.292 39.785 38.487 0.010 0.000 1.075 407 N HN 0.227 nan 8.380 nan 0.000 0.478 408 K N 1.352 121.762 120.400 0.018 0.000 2.355 408 K HA 0.126 4.445 4.320 -0.001 0.000 0.198 408 K C -0.669 175.946 176.600 0.024 0.000 1.039 408 K CA -0.009 56.290 56.287 0.020 0.000 1.075 408 K CB 0.399 32.908 32.500 0.014 0.000 0.870 408 K HN 0.538 nan 8.250 nan 0.000 0.540 409 D N 2.364 122.780 120.400 0.027 0.000 2.367 409 D HA 0.013 4.652 4.640 -0.001 0.000 0.255 409 D C -0.300 176.019 176.300 0.032 0.000 1.300 409 D CA 0.002 54.017 54.000 0.024 0.000 0.959 409 D CB 0.402 41.216 40.800 0.024 0.000 1.064 409 D HN -0.119 nan 8.370 nan 0.000 0.509 410 L N 4.801 126.022 121.223 -0.004 0.000 2.255 410 L HA 0.343 4.683 4.340 -0.001 0.000 0.289 410 L C -2.260 174.532 176.870 -0.130 0.000 1.046 410 L CA -1.827 52.971 54.840 -0.071 0.000 0.816 410 L CB 0.833 42.847 42.059 -0.075 0.000 1.197 410 L HN 0.043 nan 8.230 nan 0.000 0.427 411 P HA 0.084 nan 4.420 nan 0.000 0.268 411 P C 0.439 177.625 177.300 -0.190 0.000 1.208 411 P CA -0.230 62.774 63.100 -0.159 0.000 0.777 411 P CB 0.648 32.255 31.700 -0.154 0.000 0.875 412 E N 0.641 120.769 120.200 -0.120 0.000 2.160 412 E HA -0.156 4.193 4.350 -0.001 0.000 0.195 412 E C 1.821 178.339 176.600 -0.137 0.000 0.991 412 E CA 1.842 58.177 56.400 -0.108 0.000 0.810 412 E CB -0.560 29.102 29.700 -0.063 0.000 0.742 412 E HN 0.581 nan 8.360 nan 0.000 0.466 413 S N 0.416 116.031 115.700 -0.143 0.000 2.402 413 S HA 0.009 4.478 4.470 -0.001 0.000 0.229 413 S C 2.183 176.639 174.600 -0.240 0.000 1.021 413 S CA 0.970 59.085 58.200 -0.141 0.000 0.974 413 S CB -0.014 63.133 63.200 -0.088 0.000 0.800 413 S HN 0.230 nan 8.310 nan 0.000 0.484 414 A N 1.958 124.525 122.820 -0.422 0.000 1.872 414 A HA 0.159 4.478 4.320 -0.001 0.000 0.214 414 A C 2.209 179.507 177.584 -0.475 0.000 1.187 414 A CA 1.381 53.011 52.037 -0.678 0.000 0.614 414 A CB -0.976 17.151 19.000 -1.455 0.000 0.826 414 A HN 0.524 nan 8.150 nan 0.000 0.442 415 L N 0.297 121.287 121.223 -0.389 0.000 2.013 415 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 415 L C 2.475 179.166 176.870 -0.298 0.000 1.073 415 L CA 2.591 57.227 54.840 -0.341 0.000 0.753 415 L CB -0.671 41.274 42.059 -0.190 0.000 0.890 415 L HN 0.511 nan 8.230 nan 0.000 0.432 416 R N -0.584 119.794 120.500 -0.203 0.000 2.080 416 R HA -0.201 4.138 4.340 -0.001 0.000 0.236 416 R C 1.921 178.129 176.300 -0.153 0.000 1.137 416 R CA 2.178 58.195 56.100 -0.138 0.000 0.943 416 R CB -0.543 29.700 30.300 -0.096 0.000 0.846 416 R HN 0.439 nan 8.270 nan 0.000 0.431 417 D N 0.602 120.898 120.400 -0.174 0.000 2.144 417 D HA -0.134 4.505 4.640 -0.001 0.000 0.199 417 D C 2.047 178.232 176.300 -0.192 0.000 0.984 417 D CA 0.961 54.872 54.000 -0.148 0.000 0.834 417 D CB -0.131 40.596 40.800 -0.121 0.000 0.955 417 D HN 0.309 nan 8.370 nan 0.000 0.465 418 L N 0.327 121.352 121.223 -0.330 0.000 2.093 418 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 418 L C 2.485 179.114 176.870 -0.402 0.000 1.085 418 L CA 0.556 55.114 54.840 -0.470 0.000 0.755 418 L CB -0.174 41.347 42.059 -0.897 0.000 0.904 418 L HN 0.007 nan 8.230 nan 0.000 0.435 419 I N -1.016 119.355 120.570 -0.333 0.000 2.226 419 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 419 I C 2.436 178.558 176.117 0.007 0.000 1.100 419 I CA 0.994 62.272 61.300 -0.038 0.000 1.374 419 I CB -0.151 37.855 38.000 0.010 0.000 1.057 419 I HN 0.011 nan 8.210 nan 0.000 0.413 420 V N 0.996 120.888 119.914 -0.037 0.000 2.295 420 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 420 V C 2.674 178.774 176.094 0.010 0.000 1.049 420 V CA 2.124 64.420 62.300 -0.005 0.000 1.024 420 V CB -0.943 30.866 31.823 -0.022 0.000 0.648 420 V HN 0.502 nan 8.190 nan 0.000 0.447 421 A N -0.642 122.165 122.820 -0.021 0.000 1.969 421 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 421 A C 2.362 179.960 177.584 0.024 0.000 1.169 421 A CA 2.339 54.373 52.037 -0.005 0.000 0.635 421 A CB -0.780 18.197 19.000 -0.039 0.000 0.810 421 A HN 0.522 nan 8.150 nan 0.000 0.445 422 T N 0.069 114.652 114.554 0.047 0.000 2.812 422 T HA 0.019 4.368 4.350 -0.001 0.000 0.264 422 T C 1.758 176.494 174.700 0.061 0.000 1.042 422 T CA 1.273 63.425 62.100 0.087 0.000 1.140 422 T CB -0.306 68.703 68.868 0.235 0.000 0.870 422 T HN 0.415 nan 8.240 nan 0.000 0.445 423 I N 1.354 121.974 120.570 0.084 0.000 2.394 423 I HA -0.118 4.052 4.170 -0.001 0.000 0.251 423 I C 2.851 179.058 176.117 0.149 0.000 1.136 423 I CA 0.728 62.093 61.300 0.109 0.000 1.425 423 I CB -0.406 37.673 38.000 0.132 0.000 1.079 423 I HN 0.190 nan 8.210 nan 0.000 0.425 424 A N 0.936 123.825 122.820 0.116 0.000 1.877 424 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 424 A C 2.409 180.046 177.584 0.089 0.000 1.186 424 A CA 2.135 54.248 52.037 0.128 0.000 0.620 424 A CB -1.088 17.962 19.000 0.083 0.000 0.822 424 A HN 0.344 nan 8.150 nan 0.000 0.443 425 V N -1.436 118.501 119.914 0.038 0.000 2.626 425 V HA -0.197 3.922 4.120 -0.001 0.000 0.252 425 V C 2.169 178.227 176.094 -0.061 0.000 1.067 425 V CA 2.433 64.740 62.300 0.011 0.000 1.081 425 V CB -0.991 30.838 31.823 0.011 0.000 0.686 425 V HN 0.582 nan 8.190 nan 0.000 0.468 426 K N -0.219 120.090 120.400 -0.153 0.000 2.152 426 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 426 K C 1.227 177.379 176.600 -0.747 0.000 1.048 426 K CA 1.864 57.897 56.287 -0.424 0.000 0.933 426 K CB -0.196 31.985 32.500 -0.533 0.000 0.721 426 K HN 0.637 nan 8.250 nan 0.000 0.447 427 Y N 0.340 120.572 120.300 -0.114 0.000 2.720 427 Y HA 0.235 4.784 4.550 -0.001 0.000 0.277 427 Y C -0.387 175.574 175.900 0.101 0.000 1.144 427 Y CA -0.313 57.717 58.100 -0.116 0.000 1.221 427 Y CB 0.868 39.392 38.460 0.108 0.000 1.163 427 Y HN -0.185 nan 8.280 nan 0.000 0.537 428 T N 1.197 115.842 114.554 0.153 0.000 2.823 428 T HA 0.260 4.610 4.350 -0.001 0.000 0.279 428 T C -0.198 174.627 174.700 0.208 0.000 0.998 428 T CA -0.884 61.304 62.100 0.147 0.000 0.994 428 T CB 1.287 70.192 68.868 0.061 0.000 0.960 428 T HN -0.077 nan 8.240 nan 0.000 0.448 429 Q N 1.860 121.749 119.800 0.148 0.000 2.330 429 Q HA 0.226 4.565 4.340 -0.001 0.000 0.279 429 Q C 0.237 176.212 176.000 -0.043 0.000 1.024 429 Q CA 0.197 56.017 55.803 0.028 0.000 0.900 429 Q CB 0.561 29.329 28.738 0.050 0.000 1.221 429 Q HN 0.602 nan 8.270 nan 0.000 0.396 430 S N 2.029 117.572 115.700 -0.261 0.000 2.603 430 S HA 0.139 4.609 4.470 -0.001 0.000 0.268 430 S C 0.576 175.148 174.600 -0.047 0.000 1.317 430 S CA -0.701 57.368 58.200 -0.217 0.000 1.012 430 S CB 0.401 63.307 63.200 -0.490 0.000 0.926 430 S HN 0.671 nan 8.310 nan 0.000 0.539 431 N N -0.037 118.643 118.700 -0.034 0.000 2.445 431 N HA 0.365 5.105 4.740 -0.001 0.000 0.264 431 N C -1.082 174.458 175.510 0.050 0.000 1.227 431 N CA -0.604 52.440 53.050 -0.011 0.000 0.963 431 N CB 0.568 39.063 38.487 0.014 0.000 1.188 431 N HN 0.404 nan 8.380 nan 0.000 0.491 432 S N 0.009 115.761 115.700 0.087 0.000 2.546 432 S HA 0.538 5.007 4.470 -0.001 0.000 0.274 432 S C -1.070 173.590 174.600 0.101 0.000 1.121 432 S CA -0.761 57.492 58.200 0.088 0.000 0.887 432 S CB 1.940 65.181 63.200 0.069 0.000 1.094 432 S HN 0.468 nan 8.310 nan 0.000 0.474 433 V N 1.090 121.074 119.914 0.117 0.000 2.851 433 V HA 0.654 4.774 4.120 -0.001 0.000 0.307 433 V C -0.958 175.221 176.094 0.143 0.000 1.129 433 V CA -0.676 61.701 62.300 0.130 0.000 0.932 433 V CB 1.803 33.745 31.823 0.198 0.000 1.024 433 V HN 1.121 nan 8.190 nan 0.000 0.426 434 C N 5.173 124.529 119.300 0.093 0.000 2.547 434 C HA 0.799 5.258 4.460 -0.001 0.000 0.313 434 C C -1.388 173.647 174.990 0.075 0.000 1.191 434 C CA -0.530 58.561 59.018 0.121 0.000 1.474 434 C CB 0.877 28.656 27.740 0.065 0.000 2.081 434 C HN 0.785 nan 8.230 nan 0.000 0.476 435 Y N 3.482 123.770 120.300 -0.020 0.000 2.341 435 Y HA 0.682 5.232 4.550 -0.001 0.000 0.337 435 Y C 0.587 176.423 175.900 -0.105 0.000 1.014 435 Y CA -0.057 58.014 58.100 -0.049 0.000 1.111 435 Y CB 1.694 40.120 38.460 -0.056 0.000 1.194 435 Y HN 0.983 nan 8.280 nan 0.000 0.462 436 A N 3.727 126.556 122.820 0.014 0.000 2.498 436 A HA 0.882 5.202 4.320 -0.001 0.000 0.298 436 A C -1.259 176.271 177.584 -0.090 0.000 1.075 436 A CA -0.874 51.120 52.037 -0.072 0.000 0.714 436 A CB 2.119 21.081 19.000 -0.063 0.000 1.299 436 A HN 0.681 nan 8.150 nan 0.000 0.407 437 K N 0.929 121.247 120.400 -0.136 0.000 2.562 437 K HA 0.370 4.689 4.320 -0.001 0.000 0.267 437 K C -0.930 175.644 176.600 -0.043 0.000 0.938 437 K CA -0.602 55.633 56.287 -0.087 0.000 0.840 437 K CB 0.997 33.432 32.500 -0.108 0.000 1.390 437 K HN 0.689 nan 8.250 nan 0.000 0.428 438 N N 1.605 120.312 118.700 0.012 0.000 2.716 438 N HA -0.209 4.531 4.740 -0.001 0.000 0.250 438 N C 0.373 175.905 175.510 0.037 0.000 1.033 438 N CA 1.732 54.814 53.050 0.052 0.000 0.727 438 N CB -1.405 37.160 38.487 0.132 0.000 0.950 438 N HN 1.050 nan 8.380 nan 0.000 0.541 439 G N -0.908 107.891 108.800 -0.001 0.000 2.168 439 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.257 439 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.257 439 G C -0.112 174.788 174.900 0.000 0.000 0.997 439 G CA 1.082 46.181 45.100 -0.002 0.000 0.708 439 G HN 0.960 nan 8.290 nan 0.000 0.520 440 Q N -1.374 118.410 119.800 -0.027 0.000 2.416 440 Q HA 0.726 5.066 4.340 -0.001 0.000 0.281 440 Q C -0.524 175.410 176.000 -0.110 0.000 1.067 440 Q CA -1.188 54.590 55.803 -0.041 0.000 0.809 440 Q CB 2.114 30.844 28.738 -0.014 0.000 1.418 440 Q HN 0.324 nan 8.270 nan 0.000 0.411 441 V N 3.431 123.294 119.914 -0.084 0.000 2.585 441 V HA 0.042 4.162 4.120 -0.001 0.000 0.296 441 V C 0.954 176.901 176.094 -0.244 0.000 1.035 441 V CA 0.568 62.810 62.300 -0.097 0.000 1.084 441 V CB 0.401 32.209 31.823 -0.026 0.000 0.953 441 V HN 0.852 nan 8.190 nan 0.000 0.483 442 I N 1.591 121.978 120.570 -0.306 0.000 4.456 442 I HA 0.646 4.815 4.170 -0.001 0.000 0.329 442 I C 0.762 176.751 176.117 -0.213 0.000 1.313 442 I CA 0.202 61.153 61.300 -0.582 0.000 1.205 442 I CB 0.911 38.289 38.000 -1.037 0.000 1.179 442 I HN 0.610 nan 8.210 nan 0.000 0.419 443 G N 2.284 111.042 108.800 -0.070 0.000 2.684 443 G HA2 0.637 4.596 3.960 -0.001 0.000 0.289 443 G HA3 0.637 4.596 3.960 -0.001 0.000 0.289 443 G C -1.869 173.083 174.900 0.087 0.000 1.416 443 G CA -0.295 44.795 45.100 -0.017 0.000 1.235 443 G HN 0.147 nan 8.290 nan 0.000 0.576 444 I N 1.705 122.323 120.570 0.080 0.000 2.619 444 I HA 0.777 4.946 4.170 -0.001 0.000 0.292 444 I C 0.165 176.340 176.117 0.097 0.000 1.100 444 I CA -0.867 60.495 61.300 0.102 0.000 1.043 444 I CB 2.251 40.289 38.000 0.065 0.000 1.239 444 I HN 0.625 nan 8.210 nan 0.000 0.420 445 G N 5.281 114.149 108.800 0.113 0.000 2.461 445 G HA2 0.799 4.759 3.960 -0.001 0.000 0.323 445 G HA3 0.799 4.759 3.960 -0.001 0.000 0.323 445 G C -1.468 173.483 174.900 0.086 0.000 1.229 445 G CA -0.438 44.723 45.100 0.102 0.000 0.941 445 G HN 0.810 nan 8.290 nan 0.000 0.477 446 A N 0.719 123.583 122.820 0.073 0.000 2.454 446 A HA 0.835 5.154 4.320 -0.001 0.000 0.302 446 A C 0.923 178.542 177.584 0.059 0.000 1.079 446 A CA 0.158 52.231 52.037 0.061 0.000 0.731 446 A CB 1.322 20.352 19.000 0.051 0.000 1.299 446 A HN 2.490 nan 8.150 nan 0.000 0.413 447 G N 0.422 109.253 108.800 0.053 0.000 2.203 447 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.263 447 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.263 447 G C 0.220 175.150 174.900 0.050 0.000 1.012 447 G CA 0.781 45.916 45.100 0.058 0.000 0.749 447 G HN 0.795 nan 8.290 nan 0.000 0.512 448 Q N -0.891 118.940 119.800 0.051 0.000 2.316 448 Q HA 0.488 4.827 4.340 -0.001 0.000 0.215 448 Q C 1.261 177.272 176.000 0.018 0.000 1.020 448 Q CA -0.041 55.793 55.803 0.052 0.000 0.970 448 Q CB 0.388 29.179 28.738 0.088 0.000 1.187 448 Q HN 0.641 nan 8.270 nan 0.000 0.546 449 Q N -0.547 119.254 119.800 0.002 0.000 2.149 449 Q HA 0.249 4.588 4.340 -0.001 0.000 0.221 449 Q C -0.361 175.593 176.000 -0.077 0.000 0.807 449 Q CA -0.097 55.680 55.803 -0.044 0.000 1.000 449 Q CB 1.306 30.014 28.738 -0.050 0.000 1.157 449 Q HN 0.429 nan 8.270 nan 0.000 0.487 450 S N -0.292 115.367 115.700 -0.069 0.000 2.572 450 S HA 0.405 4.875 4.470 -0.001 0.000 0.274 450 S C -0.069 174.545 174.600 0.024 0.000 1.150 450 S CA -0.590 57.548 58.200 -0.103 0.000 0.944 450 S CB 1.799 64.760 63.200 -0.399 0.000 1.071 450 S HN 0.147 nan 8.310 nan 0.000 0.479 451 R N 3.003 123.531 120.500 0.046 0.000 2.070 451 R HA 0.031 4.370 4.340 -0.001 0.000 0.233 451 R C 1.902 178.289 176.300 0.146 0.000 1.137 451 R CA 2.294 58.462 56.100 0.113 0.000 0.945 451 R CB -1.063 29.308 30.300 0.119 0.000 0.845 451 R HN 0.755 nan 8.270 nan 0.000 0.430 452 I N 0.366 121.021 120.570 0.141 0.000 2.361 452 I HA -0.217 3.952 4.170 -0.001 0.000 0.251 452 I C 1.466 177.705 176.117 0.204 0.000 1.133 452 I CA 1.676 63.059 61.300 0.139 0.000 1.413 452 I CB -0.474 37.615 38.000 0.148 0.000 1.073 452 I HN 0.262 nan 8.210 nan 0.000 0.424 453 H N -1.130 117.968 119.070 0.047 0.000 2.387 453 H HA -0.163 4.392 4.556 -0.001 0.000 0.299 453 H C 2.456 177.819 175.328 0.058 0.000 1.090 453 H CA 1.686 57.761 56.048 0.045 0.000 1.332 453 H CB -0.917 28.869 29.762 0.040 0.000 1.386 453 H HN 0.454 nan 8.280 nan 0.000 0.516 454 C N -0.042 119.381 119.300 0.204 0.000 2.476 454 C HA -0.112 4.348 4.460 -0.001 0.000 0.278 454 C C 2.769 177.863 174.990 0.174 0.000 1.274 454 C CA 1.521 60.637 59.018 0.164 0.000 1.713 454 C CB -0.948 26.886 27.740 0.156 0.000 2.039 454 C HN 0.592 nan 8.230 nan 0.000 0.484 455 T N 0.458 115.119 114.554 0.178 0.000 2.759 455 T HA -0.177 4.172 4.350 -0.001 0.000 0.269 455 T C 1.908 176.719 174.700 0.186 0.000 1.042 455 T CA 1.487 63.709 62.100 0.203 0.000 1.140 455 T CB -0.277 68.633 68.868 0.071 0.000 0.864 455 T HN 0.605 nan 8.240 nan 0.000 0.455 456 R N 0.283 120.838 120.500 0.091 0.000 2.073 456 R HA 0.143 4.482 4.340 -0.001 0.000 0.229 456 R C 2.528 178.824 176.300 -0.006 0.000 1.120 456 R CA 0.817 56.930 56.100 0.021 0.000 0.967 456 R CB -0.537 29.747 30.300 -0.027 0.000 0.862 456 R HN 0.316 nan 8.270 nan 0.000 0.436 457 L N 0.530 121.770 121.223 0.029 0.000 2.017 457 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 457 L C 2.365 179.236 176.870 0.002 0.000 1.073 457 L CA 1.679 56.534 54.840 0.025 0.000 0.745 457 L CB -0.367 41.730 42.059 0.064 0.000 0.894 457 L HN 0.225 nan 8.230 nan 0.000 0.432 458 A N -0.309 122.542 122.820 0.052 0.000 1.930 458 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 458 A C 2.275 179.630 177.584 -0.381 0.000 1.175 458 A CA 1.451 53.498 52.037 0.015 0.000 0.627 458 A CB -1.338 17.835 19.000 0.289 0.000 0.815 458 A HN 0.557 nan 8.150 nan 0.000 0.443 459 G N -0.118 108.396 108.800 -0.477 0.000 2.418 459 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 459 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 459 G C 1.119 175.722 174.900 -0.494 0.000 1.158 459 G CA 1.230 45.834 45.100 -0.827 0.000 0.771 459 G HN 0.451 nan 8.290 nan 0.000 0.545 460 D N 0.763 120.959 120.400 -0.340 0.000 2.097 460 D HA -0.057 4.582 4.640 -0.001 0.000 0.195 460 D C 2.483 178.421 176.300 -0.603 0.000 0.989 460 D CA 0.876 54.599 54.000 -0.461 0.000 0.827 460 D CB -0.192 40.420 40.800 -0.312 0.000 0.966 460 D HN 0.283 nan 8.370 nan 0.000 0.456 461 K N 0.621 120.863 120.400 -0.263 0.000 2.063 461 K HA -0.088 4.231 4.320 -0.001 0.000 0.208 461 K C 2.137 178.744 176.600 0.012 0.000 1.048 461 K CA 1.163 57.443 56.287 -0.012 0.000 0.928 461 K CB -0.125 32.416 32.500 0.067 0.000 0.713 461 K HN 0.042 nan 8.250 nan 0.000 0.442 462 A N 2.101 124.823 122.820 -0.164 0.000 1.908 462 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 462 A C 1.815 179.494 177.584 0.158 0.000 1.181 462 A CA 1.802 53.798 52.037 -0.069 0.000 0.627 462 A CB -0.506 18.248 19.000 -0.410 0.000 0.818 462 A HN 0.244 nan 8.150 nan 0.000 0.445 463 N N -0.897 117.784 118.700 -0.031 0.000 2.120 463 N HA -0.143 4.596 4.740 -0.001 0.000 0.188 463 N C 1.578 177.256 175.510 0.281 0.000 1.024 463 N CA 1.700 54.812 53.050 0.103 0.000 0.852 463 N CB -0.688 37.736 38.487 -0.105 0.000 1.003 463 N HN 0.754 nan 8.380 nan 0.000 0.424 464 Y N -1.197 119.259 120.300 0.260 0.000 2.224 464 Y HA -0.241 4.308 4.550 -0.001 0.000 0.289 464 Y C 2.377 178.475 175.900 0.331 0.000 1.146 464 Y CA 0.585 58.832 58.100 0.245 0.000 1.182 464 Y CB -0.309 38.261 38.460 0.183 0.000 0.983 464 Y HN 0.195 nan 8.280 nan 0.000 0.524 465 W N 0.348 121.873 121.300 0.375 0.000 2.363 465 W HA -0.241 4.418 4.660 -0.001 0.000 0.296 465 W C 2.418 179.266 176.519 0.547 0.000 1.212 465 W CA 1.302 58.880 57.345 0.388 0.000 1.260 465 W CB -0.661 28.983 29.460 0.307 0.000 1.131 465 W HN 0.266 nan 8.180 nan 0.000 0.530 466 W N 0.592 122.083 121.300 0.318 0.000 2.381 466 W HA -0.182 4.477 4.660 -0.001 0.000 0.301 466 W C 1.751 178.506 176.519 0.393 0.000 1.205 466 W CA 1.197 58.605 57.345 0.105 0.000 1.285 466 W CB -0.555 29.047 29.460 0.236 0.000 1.133 466 W HN -0.177 nan 8.180 nan 0.000 0.521 467 L N 0.721 122.159 121.223 0.359 0.000 2.261 467 L HA -0.188 4.151 4.340 -0.001 0.000 0.216 467 L C 2.403 179.266 176.870 -0.012 0.000 1.114 467 L CA 1.163 56.092 54.840 0.150 0.000 0.777 467 L CB -0.615 41.595 42.059 0.253 0.000 0.910 467 L HN -0.074 nan 8.230 nan 0.000 0.440 468 R N -1.337 119.199 120.500 0.060 0.000 2.307 468 R HA -0.071 4.269 4.340 -0.001 0.000 0.199 468 R C 1.323 177.490 176.300 -0.222 0.000 1.000 468 R CA 0.399 56.469 56.100 -0.050 0.000 1.023 468 R CB -0.062 30.213 30.300 -0.042 0.000 0.908 468 R HN 0.405 nan 8.270 nan 0.000 0.473 469 H N -1.773 117.065 119.070 -0.386 0.000 2.551 469 H HA 0.083 4.638 4.556 -0.001 0.000 0.271 469 H C 0.153 175.142 175.328 -0.564 0.000 0.984 469 H CA -0.096 55.701 56.048 -0.418 0.000 1.164 469 H CB -0.028 29.434 29.762 -0.499 0.000 1.437 469 H HN 0.069 nan 8.280 nan 0.000 0.550 470 H N 1.830 120.391 119.070 -0.849 0.000 2.928 470 H HA -0.039 4.516 4.556 -0.001 0.000 0.338 470 H C -1.584 173.318 175.328 -0.710 0.000 1.047 470 H CA -1.514 53.731 56.048 -1.339 0.000 1.435 470 H CB 1.287 30.339 29.762 -1.183 0.000 1.428 470 H HN 0.109 nan 8.280 nan 0.000 0.590 471 P HA -0.182 nan 4.420 nan 0.000 0.216 471 P C 1.182 178.424 177.300 -0.098 0.000 1.154 471 P CA 1.724 64.666 63.100 -0.263 0.000 0.865 471 P CB 0.199 31.740 31.700 -0.264 0.000 0.789 472 Q N -1.203 118.651 119.800 0.090 0.000 2.364 472 Q HA -0.067 4.272 4.340 -0.001 0.000 0.207 472 Q C 1.849 177.721 176.000 -0.213 0.000 0.970 472 Q CA 0.866 56.623 55.803 -0.076 0.000 0.888 472 Q CB -0.294 28.379 28.738 -0.108 0.000 0.951 472 Q HN 0.198 nan 8.270 nan 0.000 0.469 473 V N 0.327 120.121 119.914 -0.201 0.000 2.426 473 V HA -0.143 3.976 4.120 -0.001 0.000 0.242 473 V C 1.975 177.963 176.094 -0.176 0.000 1.036 473 V CA 0.956 63.109 62.300 -0.245 0.000 1.044 473 V CB -0.219 31.502 31.823 -0.171 0.000 0.688 473 V HN 0.310 nan 8.190 nan 0.000 0.462 474 L N 1.124 122.242 121.223 -0.175 0.000 2.191 474 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 474 L C 2.381 179.170 176.870 -0.135 0.000 1.103 474 L CA 1.738 56.481 54.840 -0.162 0.000 0.769 474 L CB -0.606 41.337 42.059 -0.193 0.000 0.908 474 L HN 0.537 nan 8.230 nan 0.000 0.438 475 S N -1.679 113.937 115.700 -0.140 0.000 2.548 475 S HA 0.140 4.609 4.470 -0.001 0.000 0.215 475 S C 0.923 175.447 174.600 -0.127 0.000 0.976 475 S CA -0.351 57.775 58.200 -0.123 0.000 0.908 475 S CB -0.155 62.974 63.200 -0.118 0.000 0.781 475 S HN 0.177 nan 8.310 nan 0.000 0.519 476 M N 2.139 121.648 119.600 -0.153 0.000 2.231 476 M HA 0.108 4.587 4.480 -0.001 0.000 0.299 476 M C 0.014 176.258 176.300 -0.094 0.000 1.076 476 M CA 0.737 55.922 55.300 -0.193 0.000 1.152 476 M CB 0.155 32.610 32.600 -0.241 0.000 1.414 476 M HN 0.286 nan 8.290 nan 0.000 0.439 477 K N 1.149 121.480 120.400 -0.116 0.000 2.761 477 K HA 0.440 4.759 4.320 -0.001 0.000 0.257 477 K C -1.671 174.891 176.600 -0.063 0.000 1.053 477 K CA -0.520 55.755 56.287 -0.021 0.000 1.035 477 K CB 0.557 33.041 32.500 -0.027 0.000 1.267 477 K HN 0.232 nan 8.250 nan 0.000 0.505 478 F N 1.826 121.712 119.950 -0.107 0.000 2.390 478 F HA 0.382 4.908 4.527 -0.001 0.000 0.307 478 F C 1.356 177.045 175.800 -0.186 0.000 1.227 478 F CA -0.254 57.576 58.000 -0.283 0.000 1.179 478 F CB 0.374 39.141 39.000 -0.389 0.000 1.280 478 F HN 0.546 nan 8.300 nan 0.000 0.548 479 K N -0.842 119.555 120.400 -0.005 0.000 2.205 479 K HA 0.354 4.673 4.320 -0.001 0.000 0.279 479 K C 0.982 177.568 176.600 -0.025 0.000 1.027 479 K CA 0.002 56.273 56.287 -0.028 0.000 0.932 479 K CB -0.291 32.174 32.500 -0.058 0.000 1.032 479 K HN 0.807 nan 8.250 nan 0.000 0.466 480 T N -1.328 113.214 114.554 -0.021 0.000 2.858 480 T HA -0.189 4.160 4.350 -0.001 0.000 0.263 480 T C 1.632 176.307 174.700 -0.042 0.000 1.072 480 T CA 2.018 64.102 62.100 -0.027 0.000 1.141 480 T CB -0.180 68.675 68.868 -0.021 0.000 0.821 480 T HN 0.991 nan 8.240 nan 0.000 0.517 481 G N 0.169 108.940 108.800 -0.048 0.000 3.434 481 G HA2 0.555 4.514 3.960 -0.001 0.000 0.258 481 G HA3 0.555 4.514 3.960 -0.001 0.000 0.258 481 G C 0.432 175.288 174.900 -0.073 0.000 1.128 481 G CA 0.164 45.232 45.100 -0.053 0.000 0.792 481 G HN 0.872 nan 8.290 nan 0.000 0.539 486 E N 0.768 120.893 120.200 -0.126 0.000 2.152 486 E HA 0.063 4.412 4.350 -0.001 0.000 0.192 486 E C 1.667 178.147 176.600 -0.201 0.000 0.983 486 E CA 1.311 57.637 56.400 -0.124 0.000 0.818 486 E CB -0.912 28.711 29.700 -0.129 0.000 0.758 486 E HN 0.710 nan 8.360 nan 0.000 0.467 487 I N 0.933 121.261 120.570 -0.403 0.000 2.145 487 I HA -0.300 3.869 4.170 -0.001 0.000 0.244 487 I C 2.855 178.804 176.117 -0.280 0.000 1.075 487 I CA 1.764 62.632 61.300 -0.720 0.000 1.332 487 I CB -0.261 37.148 38.000 -0.985 0.000 1.033 487 I HN 0.367 nan 8.210 nan 0.000 0.410 488 S N 0.734 116.342 115.700 -0.153 0.000 2.374 488 S HA -0.234 4.236 4.470 -0.001 0.000 0.227 488 S C 1.930 176.552 174.600 0.037 0.000 1.037 488 S CA 1.845 60.030 58.200 -0.024 0.000 1.024 488 S CB -0.329 62.878 63.200 0.012 0.000 0.861 488 S HN 0.424 nan 8.310 nan 0.000 0.456 489 N N 1.004 119.721 118.700 0.027 0.000 2.135 489 N HA 0.033 4.773 4.740 -0.001 0.000 0.186 489 N C 2.006 177.619 175.510 0.172 0.000 1.027 489 N CA 1.248 54.339 53.050 0.067 0.000 0.849 489 N CB -0.673 37.834 38.487 0.033 0.000 1.002 489 N HN 0.495 nan 8.380 nan 0.000 0.425 490 A N 1.518 124.479 122.820 0.235 0.000 1.908 490 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 490 A C 2.317 180.265 177.584 0.606 0.000 1.181 490 A CA 1.044 53.393 52.037 0.520 0.000 0.627 490 A CB -0.692 18.567 19.000 0.432 0.000 0.818 490 A HN 0.249 nan 8.150 nan 0.000 0.445 491 I N -0.420 120.393 120.570 0.405 0.000 2.179 491 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 491 I C 2.409 178.681 176.117 0.258 0.000 1.088 491 I CA 1.784 63.289 61.300 0.343 0.000 1.357 491 I CB -0.397 37.735 38.000 0.221 0.000 1.051 491 I HN 0.471 nan 8.210 nan 0.000 0.409 492 D N 0.706 121.204 120.400 0.163 0.000 2.144 492 D HA -0.226 4.413 4.640 -0.001 0.000 0.199 492 D C 2.053 178.358 176.300 0.009 0.000 0.984 492 D CA 1.466 55.504 54.000 0.063 0.000 0.834 492 D CB 0.083 40.904 40.800 0.035 0.000 0.955 492 D HN 0.487 nan 8.370 nan 0.000 0.465 493 Q N -0.873 118.970 119.800 0.072 0.000 2.119 493 Q HA -0.179 4.161 4.340 -0.001 0.000 0.201 493 Q C 2.072 178.027 176.000 -0.074 0.000 0.972 493 Q CA 1.107 56.895 55.803 -0.025 0.000 0.847 493 Q CB -0.331 28.404 28.738 -0.005 0.000 0.903 493 Q HN 0.451 nan 8.270 nan 0.000 0.433 494 Y N 1.587 121.858 120.300 -0.047 0.000 2.089 494 Y HA -0.262 4.287 4.550 -0.001 0.000 0.282 494 Y C 2.274 178.106 175.900 -0.114 0.000 1.139 494 Y CA 1.778 59.823 58.100 -0.092 0.000 1.123 494 Y CB -0.308 38.245 38.460 0.155 0.000 0.980 494 Y HN 0.020 nan 8.280 nan 0.000 0.493 495 V N -1.698 118.258 119.914 0.070 0.000 2.515 495 V HA -0.159 3.960 4.120 -0.001 0.000 0.250 495 V C 1.889 177.880 176.094 -0.172 0.000 1.058 495 V CA 2.284 64.565 62.300 -0.032 0.000 1.064 495 V CB -1.658 30.236 31.823 0.118 0.000 0.675 495 V HN 0.625 nan 8.190 nan 0.000 0.461 496 T N -2.716 111.639 114.554 -0.333 0.000 3.081 496 T HA 0.369 4.718 4.350 -0.001 0.000 0.250 496 T C 1.546 176.091 174.700 -0.259 0.000 1.100 496 T CA 0.590 62.380 62.100 -0.518 0.000 1.038 496 T CB -0.182 68.297 68.868 -0.648 0.000 0.962 496 T HN 1.765 nan 8.240 nan 0.000 0.516 497 G N 2.037 110.688 108.800 -0.249 0.000 2.298 497 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.287 497 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.287 497 G C 0.379 175.161 174.900 -0.197 0.000 1.075 497 G CA 0.450 45.410 45.100 -0.233 0.000 0.960 497 G HN 1.206 nan 8.290 nan 0.000 0.502 498 T N -2.952 111.478 114.554 -0.207 0.000 3.393 498 T HA 0.495 4.844 4.350 -0.001 0.000 0.298 498 T C 1.903 176.498 174.700 -0.174 0.000 1.004 498 T CA 0.353 62.358 62.100 -0.160 0.000 0.956 498 T CB -0.026 68.768 68.868 -0.122 0.000 1.182 498 T HN 0.277 nan 8.240 nan 0.000 0.497 499 I N 1.754 122.156 120.570 -0.281 0.000 2.252 499 I HA 0.255 4.425 4.170 -0.001 0.000 0.245 499 I C 1.857 177.859 176.117 -0.193 0.000 1.102 499 I CA 1.449 62.535 61.300 -0.357 0.000 1.385 499 I CB -0.688 36.868 38.000 -0.738 0.000 1.064 499 I HN 0.750 nan 8.210 nan 0.000 0.414 500 G N 1.040 109.736 108.800 -0.172 0.000 2.500 500 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.209 500 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.209 500 G C -0.773 174.073 174.900 -0.090 0.000 1.283 500 G CA -0.266 44.774 45.100 -0.100 0.000 0.960 500 G HN 0.415 nan 8.290 nan 0.000 0.528 501 E N -0.481 119.690 120.200 -0.048 0.000 2.459 501 E HA 0.643 4.992 4.350 -0.001 0.000 0.275 501 E C -0.229 176.368 176.600 -0.006 0.000 0.987 501 E CA -0.471 55.910 56.400 -0.032 0.000 0.828 501 E CB 1.734 31.412 29.700 -0.038 0.000 1.428 501 E HN 0.649 nan 8.360 nan 0.000 0.457 502 D N -0.027 120.375 120.400 0.002 0.000 3.798 502 D HA -0.369 4.271 4.640 -0.001 0.000 0.150 502 D C 1.504 177.821 176.300 0.028 0.000 0.953 502 D CA 1.957 55.964 54.000 0.012 0.000 1.089 502 D CB -1.195 39.609 40.800 0.006 0.000 0.535 502 D HN 0.727 nan 8.370 nan 0.000 0.563 503 E N 1.426 121.643 120.200 0.027 0.000 2.160 503 E HA -0.228 4.122 4.350 -0.001 0.000 0.195 503 E C 1.606 178.240 176.600 0.057 0.000 0.991 503 E CA 2.430 58.853 56.400 0.038 0.000 0.810 503 E CB -0.576 29.142 29.700 0.029 0.000 0.742 503 E HN 0.491 nan 8.360 nan 0.000 0.466 504 D N 0.184 120.615 120.400 0.051 0.000 2.084 504 D HA -0.075 4.564 4.640 -0.001 0.000 0.196 504 D C 2.218 178.596 176.300 0.130 0.000 0.985 504 D CA 0.980 55.023 54.000 0.073 0.000 0.826 504 D CB -0.290 40.530 40.800 0.032 0.000 0.978 504 D HN 0.382 nan 8.370 nan 0.000 0.456 505 L N 0.866 122.148 121.223 0.098 0.000 2.013 505 L HA -0.198 4.141 4.340 -0.001 0.000 0.212 505 L C 2.636 179.644 176.870 0.231 0.000 1.073 505 L CA 0.910 55.843 54.840 0.155 0.000 0.753 505 L CB -0.310 41.794 42.059 0.076 0.000 0.890 505 L HN 0.037 nan 8.230 nan 0.000 0.432 506 I N 0.209 120.866 120.570 0.144 0.000 2.151 506 I HA -0.376 3.793 4.170 -0.001 0.000 0.243 506 I C 3.093 179.292 176.117 0.137 0.000 1.080 506 I CA 1.953 63.327 61.300 0.123 0.000 1.339 506 I CB -0.668 37.377 38.000 0.076 0.000 1.039 506 I HN 0.260 nan 8.210 nan 0.000 0.409 507 K N -0.069 120.417 120.400 0.143 0.000 2.057 507 K HA -0.250 4.069 4.320 -0.001 0.000 0.206 507 K C 1.683 178.388 176.600 0.175 0.000 1.050 507 K CA 1.418 57.780 56.287 0.126 0.000 0.935 507 K CB -1.692 30.874 32.500 0.109 0.000 0.715 507 K HN 0.567 nan 8.250 nan 0.000 0.439 508 W N 1.683 123.034 121.300 0.084 0.000 2.355 508 W HA -0.189 4.470 4.660 -0.001 0.000 0.309 508 W C 2.718 179.386 176.519 0.249 0.000 1.206 508 W CA 3.376 60.812 57.345 0.150 0.000 1.284 508 W CB -0.052 29.499 29.460 0.151 0.000 1.145 508 W HN 0.329 nan 8.180 nan 0.000 0.502 509 K N 0.276 120.910 120.400 0.389 0.000 2.147 509 K HA 0.077 4.396 4.320 -0.001 0.000 0.205 509 K C 1.779 178.436 176.600 0.095 0.000 1.049 509 K CA 1.650 58.065 56.287 0.214 0.000 0.936 509 K CB -1.587 31.056 32.500 0.239 0.000 0.722 509 K HN 0.400 nan 8.250 nan 0.000 0.446 510 A N 0.145 122.999 122.820 0.057 0.000 2.239 510 A HA 0.319 4.638 4.320 -0.001 0.000 0.209 510 A C 1.931 179.469 177.584 -0.078 0.000 1.171 510 A CA 0.670 52.709 52.037 0.003 0.000 0.768 510 A CB -0.373 18.635 19.000 0.013 0.000 0.790 510 A HN 0.435 nan 8.150 nan 0.000 0.478 511 L N -1.709 119.394 121.223 -0.200 0.000 2.554 511 L HA 0.255 4.594 4.340 -0.001 0.000 0.225 511 L C -0.228 176.276 176.870 -0.611 0.000 1.104 511 L CA -0.165 54.419 54.840 -0.427 0.000 0.866 511 L CB 0.023 41.712 42.059 -0.618 0.000 1.047 511 L HN 0.316 nan 8.230 nan 0.000 0.468 512 F N -0.566 119.179 119.950 -0.341 0.000 2.483 512 F HA 0.426 4.952 4.527 -0.001 0.000 0.329 512 F C 1.340 177.007 175.800 -0.220 0.000 1.064 512 F CA -0.767 57.008 58.000 -0.376 0.000 0.986 512 F CB 0.675 39.340 39.000 -0.559 0.000 1.218 512 F HN -0.250 nan 8.300 nan 0.000 0.484 513 E N -0.327 119.874 120.200 0.002 0.000 2.437 513 E HA 0.473 4.823 4.350 -0.001 0.000 0.189 513 E C 0.072 176.656 176.600 -0.027 0.000 1.054 513 E CA 0.712 57.102 56.400 -0.017 0.000 0.874 513 E CB -0.574 29.113 29.700 -0.021 0.000 1.011 513 E HN 0.752 nan 8.360 nan 0.000 0.474 514 E N -0.897 119.284 120.200 -0.031 0.000 2.683 514 E HA 0.472 4.822 4.350 -0.001 0.000 0.339 514 E C -0.759 175.722 176.600 -0.197 0.000 0.921 514 E CA -0.263 56.083 56.400 -0.091 0.000 0.786 514 E CB 0.303 29.943 29.700 -0.100 0.000 1.363 514 E HN 0.471 nan 8.360 nan 0.000 0.401 515 V N 5.010 124.808 119.914 -0.194 0.000 2.458 515 V HA 0.308 4.428 4.120 -0.001 0.000 0.287 515 V C -1.381 174.501 176.094 -0.353 0.000 1.009 515 V CA -0.429 61.679 62.300 -0.321 0.000 1.091 515 V CB 0.506 32.254 31.823 -0.126 0.000 0.960 515 V HN 0.754 nan 8.190 nan 0.000 0.476 516 P HA 0.395 nan 4.420 nan 0.000 0.279 516 P C -0.358 176.895 177.300 -0.079 0.000 1.239 516 P CA -0.162 62.722 63.100 -0.360 0.000 0.789 516 P CB 0.866 32.210 31.700 -0.593 0.000 0.933 517 E N 3.574 123.755 120.200 -0.031 0.000 2.338 517 E HA 0.280 4.629 4.350 -0.001 0.000 0.272 517 E C 0.372 177.029 176.600 0.095 0.000 1.029 517 E CA -0.634 55.776 56.400 0.016 0.000 0.872 517 E CB 0.025 29.712 29.700 -0.022 0.000 1.015 517 E HN 0.480 nan 8.360 nan 0.000 0.417 518 L N 0.858 122.091 121.223 0.017 0.000 2.479 518 L HA 0.267 4.607 4.340 -0.001 0.000 0.270 518 L C 0.580 177.313 176.870 -0.227 0.000 1.236 518 L CA -0.277 54.451 54.840 -0.187 0.000 0.823 518 L CB 0.131 42.008 42.059 -0.303 0.000 1.098 518 L HN 0.578 nan 8.230 nan 0.000 0.500 519 L N 0.785 121.762 121.223 -0.409 0.000 2.312 519 L HA 0.287 4.627 4.340 -0.001 0.000 0.281 519 L C 0.631 177.376 176.870 -0.208 0.000 1.070 519 L CA -0.580 54.090 54.840 -0.283 0.000 0.805 519 L CB 1.537 43.384 42.059 -0.354 0.000 1.174 519 L HN 0.710 nan 8.230 nan 0.000 0.434 520 T N -1.935 112.545 114.554 -0.123 0.000 2.860 520 T HA 0.084 4.434 4.350 -0.001 0.000 0.299 520 T C 1.007 175.671 174.700 -0.060 0.000 1.045 520 T CA -0.748 61.302 62.100 -0.084 0.000 1.071 520 T CB 1.181 70.020 68.868 -0.047 0.000 0.985 520 T HN 0.506 nan 8.240 nan 0.000 0.537 521 E N 0.892 121.065 120.200 -0.045 0.000 2.209 521 E HA -0.115 4.235 4.350 -0.001 0.000 0.196 521 E C 2.285 178.892 176.600 0.011 0.000 0.993 521 E CA 1.420 57.810 56.400 -0.018 0.000 0.819 521 E CB -0.761 28.929 29.700 -0.016 0.000 0.745 521 E HN 0.839 nan 8.360 nan 0.000 0.477 522 A N 0.996 123.822 122.820 0.010 0.000 1.930 522 A HA -0.138 4.182 4.320 -0.001 0.000 0.215 522 A C 2.004 179.624 177.584 0.060 0.000 1.176 522 A CA 1.057 53.112 52.037 0.031 0.000 0.632 522 A CB -0.227 18.786 19.000 0.021 0.000 0.819 522 A HN 0.175 nan 8.150 nan 0.000 0.445 523 E N 0.054 120.284 120.200 0.050 0.000 2.107 523 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 523 E C 1.974 178.668 176.600 0.155 0.000 0.982 523 E CA 1.161 57.617 56.400 0.094 0.000 0.809 523 E CB -0.116 29.603 29.700 0.032 0.000 0.756 523 E HN 0.562 nan 8.360 nan 0.000 0.459 524 K N 1.144 121.602 120.400 0.097 0.000 2.002 524 K HA -0.124 4.196 4.320 -0.001 0.000 0.209 524 K C 2.017 178.749 176.600 0.220 0.000 1.048 524 K CA 1.197 57.577 56.287 0.155 0.000 0.930 524 K CB -0.040 32.509 32.500 0.082 0.000 0.714 524 K HN -0.038 nan 8.250 nan 0.000 0.438 525 K N 0.788 121.274 120.400 0.144 0.000 2.362 525 K HA -0.144 4.175 4.320 -0.001 0.000 0.200 525 K C 1.945 178.632 176.600 0.145 0.000 1.046 525 K CA 0.870 57.232 56.287 0.126 0.000 0.952 525 K CB 0.080 32.623 32.500 0.073 0.000 0.753 525 K HN 0.249 nan 8.250 nan 0.000 0.466 526 E N 0.209 120.516 120.200 0.179 0.000 2.122 526 E HA -0.129 4.220 4.350 -0.001 0.000 0.190 526 E C 1.576 178.327 176.600 0.251 0.000 0.977 526 E CA 0.415 56.922 56.400 0.179 0.000 0.820 526 E CB 0.063 29.869 29.700 0.177 0.000 0.770 526 E HN 0.443 nan 8.360 nan 0.000 0.462 527 W N 0.957 122.358 121.300 0.168 0.000 2.409 527 W HA -0.137 4.523 4.660 -0.001 0.000 0.299 527 W C 1.578 178.343 176.519 0.410 0.000 1.203 527 W CA 0.856 58.332 57.345 0.219 0.000 1.298 527 W CB -0.007 29.577 29.460 0.207 0.000 1.127 527 W HN -0.094 nan 8.180 nan 0.000 0.528 528 V N 1.493 121.635 119.914 0.380 0.000 2.490 528 V HA -0.288 3.831 4.120 -0.001 0.000 0.250 528 V C 2.066 178.187 176.094 0.046 0.000 1.061 528 V CA 2.137 64.615 62.300 0.296 0.000 1.064 528 V CB -0.854 31.111 31.823 0.237 0.000 0.670 528 V HN 0.152 nan 8.190 nan 0.000 0.461 529 E N -0.068 120.156 120.200 0.040 0.000 2.267 529 E HA -0.230 4.119 4.350 -0.001 0.000 0.197 529 E C 2.071 178.612 176.600 -0.098 0.000 0.998 529 E CA 0.935 57.319 56.400 -0.027 0.000 0.830 529 E CB -0.108 29.593 29.700 0.002 0.000 0.751 529 E HN 0.606 nan 8.360 nan 0.000 0.491 530 K N 0.438 120.764 120.400 -0.123 0.000 2.432 530 K HA -0.010 4.309 4.320 -0.001 0.000 0.196 530 K C 0.465 176.837 176.600 -0.381 0.000 1.038 530 K CA -0.123 56.044 56.287 -0.199 0.000 0.986 530 K CB 0.090 32.435 32.500 -0.259 0.000 0.782 530 K HN -0.001 nan 8.250 nan 0.000 0.485 531 L N 2.366 123.223 121.223 -0.610 0.000 2.477 531 L HA 0.024 4.363 4.340 -0.001 0.000 0.272 531 L C 0.017 176.569 176.870 -0.530 0.000 1.157 531 L CA 0.844 55.055 54.840 -1.048 0.000 0.889 531 L CB 0.191 41.607 42.059 -1.071 0.000 1.158 531 L HN 0.128 nan 8.230 nan 0.000 0.473 532 T N 0.898 115.175 114.554 -0.462 0.000 2.887 532 T HA 0.498 4.847 4.350 -0.001 0.000 0.292 532 T C -0.299 174.291 174.700 -0.182 0.000 1.087 532 T CA -0.617 61.328 62.100 -0.260 0.000 1.009 532 T CB 1.234 69.989 68.868 -0.189 0.000 1.203 532 T HN 0.622 nan 8.240 nan 0.000 0.518 533 E N -0.320 119.804 120.200 -0.126 0.000 2.210 533 E HA -0.108 4.241 4.350 -0.001 0.000 0.201 533 E C -0.691 175.926 176.600 0.028 0.000 1.339 533 E CA 0.060 56.447 56.400 -0.022 0.000 0.699 533 E CB -1.630 28.104 29.700 0.058 0.000 1.126 533 E HN 0.493 nan 8.360 nan 0.000 0.355 534 V N 0.932 120.830 119.914 -0.027 0.000 2.630 534 V HA 0.373 4.492 4.120 -0.001 0.000 0.305 534 V C 0.524 176.652 176.094 0.057 0.000 1.046 534 V CA -0.522 61.783 62.300 0.009 0.000 0.934 534 V CB 2.170 33.996 31.823 0.005 0.000 1.003 534 V HN 0.227 nan 8.190 nan 0.000 0.451 535 S N 3.779 119.513 115.700 0.056 0.000 2.537 535 S HA 0.747 5.216 4.470 -0.001 0.000 0.301 535 S C -0.602 173.947 174.600 -0.085 0.000 1.092 535 S CA -0.451 57.775 58.200 0.042 0.000 1.048 535 S CB 1.393 64.594 63.200 0.001 0.000 1.053 535 S HN 0.503 nan 8.310 nan 0.000 0.501 536 I N 1.492 121.985 120.570 -0.128 0.000 2.608 536 I HA 0.481 4.651 4.170 -0.001 0.000 0.295 536 I C -0.463 175.585 176.117 -0.116 0.000 1.049 536 I CA -0.402 60.761 61.300 -0.229 0.000 1.063 536 I CB 2.266 40.049 38.000 -0.363 0.000 1.248 536 I HN 0.501 nan 8.210 nan 0.000 0.424 537 S N 3.413 119.057 115.700 -0.094 0.000 2.557 537 S HA 0.519 4.988 4.470 -0.001 0.000 0.291 537 S C -0.988 173.581 174.600 -0.051 0.000 1.116 537 S CA -0.362 57.808 58.200 -0.049 0.000 0.992 537 S CB 1.674 64.872 63.200 -0.004 0.000 1.028 537 S HN 0.591 nan 8.310 nan 0.000 0.484 538 S N 2.081 117.712 115.700 -0.114 0.000 2.472 538 S HA 0.338 4.808 4.470 -0.001 0.000 0.303 538 S C 0.553 175.090 174.600 -0.106 0.000 1.099 538 S CA -0.667 57.460 58.200 -0.122 0.000 1.077 538 S CB 0.976 63.941 63.200 -0.392 0.000 1.031 538 S HN 0.855 nan 8.310 nan 0.000 0.487 539 D N 2.938 123.319 120.400 -0.032 0.000 2.363 539 D HA 0.256 4.895 4.640 -0.001 0.000 0.226 539 D C 0.348 176.570 176.300 -0.130 0.000 1.020 539 D CA 0.328 54.306 54.000 -0.038 0.000 0.892 539 D CB -0.027 40.809 40.800 0.060 0.000 0.900 539 D HN 0.519 nan 8.370 nan 0.000 0.531 540 A N -0.442 122.291 122.820 -0.145 0.000 2.602 540 A HA 0.542 4.861 4.320 -0.001 0.000 0.290 540 A C -0.726 176.712 177.584 -0.245 0.000 1.114 540 A CA -1.108 50.784 52.037 -0.242 0.000 0.683 540 A CB 0.339 19.203 19.000 -0.227 0.000 1.281 540 A HN 0.162 nan 8.150 nan 0.000 0.416 541 F N -0.383 119.464 119.950 -0.171 0.000 2.539 541 F HA 0.634 5.161 4.527 -0.001 0.000 0.340 541 F C -0.764 175.024 175.800 -0.020 0.000 1.185 541 F CA -0.685 57.213 58.000 -0.170 0.000 1.333 541 F CB -0.072 38.840 39.000 -0.146 0.000 1.152 541 F HN 0.247 nan 8.300 nan 0.000 0.602 542 F N 3.464 123.600 119.950 0.310 0.000 2.421 542 F HA 0.358 4.885 4.527 -0.001 0.000 0.358 542 F C -1.548 174.420 175.800 0.280 0.000 1.115 542 F CA -2.732 55.384 58.000 0.194 0.000 1.160 542 F CB 0.615 39.708 39.000 0.156 0.000 1.123 542 F HN 0.329 nan 8.300 nan 0.000 0.508 543 P HA -0.077 nan 4.420 nan 0.000 0.216 543 P C -0.431 176.611 177.300 -0.430 0.000 1.153 543 P CA 1.583 64.693 63.100 0.016 0.000 0.848 543 P CB 0.307 31.964 31.700 -0.073 0.000 0.787 544 F N -2.803 117.259 119.950 0.186 0.000 2.664 544 F HA 0.347 4.873 4.527 -0.001 0.000 0.317 544 F C 1.532 177.359 175.800 0.045 0.000 1.108 544 F CA -1.065 56.997 58.000 0.104 0.000 0.957 544 F CB 0.699 39.737 39.000 0.064 0.000 1.365 544 F HN -0.393 nan 8.300 nan 0.000 0.475 545 R N -0.277 120.383 120.500 0.266 0.000 2.328 545 R HA -0.056 4.283 4.340 -0.001 0.000 0.207 545 R C 0.656 176.965 176.300 0.016 0.000 1.056 545 R CA 1.533 57.695 56.100 0.103 0.000 1.016 545 R CB -0.718 29.636 30.300 0.090 0.000 0.872 545 R HN 0.627 nan 8.270 nan 0.000 0.471 546 D N 1.120 121.543 120.400 0.038 0.000 2.182 546 D HA -0.222 4.417 4.640 -0.001 0.000 0.201 546 D C 1.046 177.283 176.300 -0.105 0.000 0.986 546 D CA 1.109 55.098 54.000 -0.018 0.000 0.847 546 D CB -0.572 40.235 40.800 0.011 0.000 0.942 546 D HN 0.283 nan 8.370 nan 0.000 0.467 547 N N 0.385 118.944 118.700 -0.234 0.000 2.120 547 N HA -0.094 4.646 4.740 -0.001 0.000 0.188 547 N C 2.013 177.267 175.510 -0.426 0.000 1.024 547 N CA 1.128 53.865 53.050 -0.523 0.000 0.852 547 N CB -0.008 37.634 38.487 -1.407 0.000 1.003 547 N HN 0.185 nan 8.380 nan 0.000 0.424 548 V N 2.097 121.835 119.914 -0.293 0.000 2.358 548 V HA -0.164 3.955 4.120 -0.001 0.000 0.246 548 V C 1.805 177.850 176.094 -0.081 0.000 1.047 548 V CA 1.505 63.726 62.300 -0.132 0.000 1.035 548 V CB -0.452 31.349 31.823 -0.038 0.000 0.658 548 V HN 0.163 nan 8.190 nan 0.000 0.452 549 D N 0.043 120.402 120.400 -0.067 0.000 2.123 549 D HA -0.208 4.431 4.640 -0.001 0.000 0.196 549 D C 2.306 178.584 176.300 -0.037 0.000 0.992 549 D CA 1.544 55.519 54.000 -0.042 0.000 0.833 549 D CB -0.183 40.597 40.800 -0.033 0.000 0.954 549 D HN 0.260 nan 8.370 nan 0.000 0.455 550 R N 1.275 121.748 120.500 -0.045 0.000 2.073 550 R HA -0.036 4.303 4.340 -0.001 0.000 0.234 550 R C 2.075 178.395 176.300 0.034 0.000 1.134 550 R CA 1.796 57.889 56.100 -0.011 0.000 0.952 550 R CB -0.804 29.491 30.300 -0.010 0.000 0.850 550 R HN 0.065 nan 8.270 nan 0.000 0.433 551 A N 0.816 123.651 122.820 0.024 0.000 1.892 551 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 551 A C 2.083 179.695 177.584 0.047 0.000 1.188 551 A CA 2.094 54.178 52.037 0.077 0.000 0.631 551 A CB -0.670 18.306 19.000 -0.039 0.000 0.822 551 A HN 0.346 nan 8.150 nan 0.000 0.447 552 K N 0.793 121.187 120.400 -0.011 0.000 2.074 552 K HA -0.204 4.115 4.320 -0.001 0.000 0.209 552 K C 1.976 178.560 176.600 -0.026 0.000 1.048 552 K CA 2.040 58.307 56.287 -0.033 0.000 0.926 552 K CB -0.395 32.080 32.500 -0.042 0.000 0.713 552 K HN 0.666 nan 8.250 nan 0.000 0.444 553 R N -0.779 119.715 120.500 -0.011 0.000 2.339 553 R HA 0.099 4.439 4.340 -0.001 0.000 0.199 553 R C 0.235 176.526 176.300 -0.017 0.000 1.018 553 R CA 1.042 57.132 56.100 -0.015 0.000 1.036 553 R CB 0.018 30.311 30.300 -0.012 0.000 0.899 553 R HN -0.077 nan 8.270 nan 0.000 0.473 554 S N 0.124 115.826 115.700 0.004 0.000 2.809 554 S HA 0.289 4.758 4.470 -0.001 0.000 0.248 554 S C 0.603 175.184 174.600 -0.032 0.000 1.071 554 S CA -0.043 58.151 58.200 -0.011 0.000 1.059 554 S CB 1.383 64.582 63.200 -0.001 0.000 0.923 554 S HN 0.667 nan 8.310 nan 0.000 0.516 555 G N 1.098 109.849 108.800 -0.081 0.000 2.155 555 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.257 555 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.257 555 G C 0.184 175.017 174.900 -0.112 0.000 0.983 555 G CA 0.201 45.221 45.100 -0.134 0.000 0.676 555 G HN 0.501 nan 8.290 nan 0.000 0.528 556 V N 0.293 120.170 119.914 -0.062 0.000 2.521 556 V HA 0.468 4.588 4.120 -0.001 0.000 0.286 556 V C 1.345 177.310 176.094 -0.214 0.000 1.034 556 V CA 1.138 63.379 62.300 -0.100 0.000 1.045 556 V CB 1.231 33.011 31.823 -0.071 0.000 0.974 556 V HN 0.922 nan 8.190 nan 0.000 0.480 557 A N 4.521 127.106 122.820 -0.392 0.000 2.287 557 A HA 0.428 4.747 4.320 -0.001 0.000 0.214 557 A C 0.167 177.180 177.584 -0.951 0.000 1.228 557 A CA 0.193 51.778 52.037 -0.754 0.000 0.939 557 A CB 0.417 18.751 19.000 -1.111 0.000 0.992 557 A HN 0.717 nan 8.150 nan 0.000 0.502 558 Y N -0.870 119.385 120.300 -0.075 0.000 2.457 558 Y HA 0.731 5.280 4.550 -0.001 0.000 0.343 558 Y C -0.499 175.349 175.900 -0.087 0.000 0.994 558 Y CA -1.024 57.027 58.100 -0.082 0.000 1.031 558 Y CB 1.446 39.843 38.460 -0.105 0.000 1.246 558 Y HN -0.026 nan 8.280 nan 0.000 0.449 559 I N 2.323 122.934 120.570 0.069 0.000 2.582 559 I HA 0.817 4.986 4.170 -0.001 0.000 0.292 559 I C -0.874 175.257 176.117 0.024 0.000 1.066 559 I CA -1.111 60.208 61.300 0.031 0.000 1.053 559 I CB 2.273 40.315 38.000 0.069 0.000 1.241 559 I HN 0.770 nan 8.210 nan 0.000 0.421 560 A N 4.594 127.421 122.820 0.012 0.000 2.374 560 A HA 0.987 5.306 4.320 -0.001 0.000 0.305 560 A C -0.951 176.622 177.584 -0.018 0.000 1.053 560 A CA -0.404 51.678 52.037 0.075 0.000 0.726 560 A CB 1.687 20.827 19.000 0.234 0.000 1.229 560 A HN 0.933 nan 8.150 nan 0.000 0.431 561 A N 2.955 125.768 122.820 -0.013 0.000 2.608 561 A HA 0.868 5.187 4.320 -0.001 0.000 0.292 561 A C -3.343 174.244 177.584 0.005 0.000 1.066 561 A CA -1.343 50.623 52.037 -0.119 0.000 0.676 561 A CB 1.042 19.782 19.000 -0.435 0.000 1.277 561 A HN 0.486 nan 8.150 nan 0.000 0.413 562 P HA 0.258 nan 4.420 nan 0.000 0.272 562 P C 0.369 177.568 177.300 -0.167 0.000 1.223 562 P CA 0.201 63.246 63.100 -0.092 0.000 0.784 562 P CB 0.970 32.609 31.700 -0.101 0.000 0.923 563 S N 1.071 116.548 115.700 -0.371 0.000 2.495 563 S HA 0.630 5.099 4.470 -0.001 0.000 0.273 563 S C 0.950 175.293 174.600 -0.429 0.000 1.156 563 S CA 0.153 57.906 58.200 -0.745 0.000 1.032 563 S CB -0.222 62.496 63.200 -0.804 0.000 1.160 563 S HN 0.801 nan 8.310 nan 0.000 0.489 564 G N -1.462 107.050 108.800 -0.481 0.000 2.143 564 G HA2 0.263 4.222 3.960 -0.001 0.000 0.175 564 G HA3 0.263 4.222 3.960 -0.001 0.000 0.175 564 G C 0.044 174.468 174.900 -0.792 0.000 1.004 564 G CA 0.162 44.968 45.100 -0.490 0.000 0.671 564 G HN 1.306 nan 8.290 nan 0.000 0.512 565 S N -0.671 114.587 115.700 -0.737 0.000 2.681 565 S HA 0.986 5.455 4.470 -0.001 0.000 0.299 565 S C 1.319 175.703 174.600 -0.359 0.000 1.113 565 S CA 0.244 58.002 58.200 -0.737 0.000 1.013 565 S CB 1.415 64.272 63.200 -0.572 0.000 1.076 565 S HN 1.589 nan 8.310 nan 0.000 0.534 566 A N 0.465 123.120 122.820 -0.275 0.000 1.975 566 A HA 0.477 4.796 4.320 -0.001 0.000 0.215 566 A C 2.032 179.562 177.584 -0.090 0.000 1.170 566 A CA 1.615 53.564 52.037 -0.147 0.000 0.656 566 A CB -0.811 18.128 19.000 -0.103 0.000 0.821 566 A HN 1.514 nan 8.150 nan 0.000 0.449 567 A N -0.319 122.437 122.820 -0.106 0.000 2.259 567 A HA 0.126 4.446 4.320 -0.001 0.000 0.208 567 A C 1.271 178.873 177.584 0.029 0.000 1.201 567 A CA 0.986 53.015 52.037 -0.013 0.000 0.824 567 A CB -0.532 18.447 19.000 -0.035 0.000 0.838 567 A HN 0.390 nan 8.150 nan 0.000 0.485 568 D N 0.776 121.169 120.400 -0.011 0.000 2.133 568 D HA -0.192 4.447 4.640 -0.001 0.000 0.192 568 D C 2.428 178.790 176.300 0.103 0.000 1.001 568 D CA 2.467 56.510 54.000 0.072 0.000 0.844 568 D CB -0.102 40.692 40.800 -0.009 0.000 0.944 568 D HN 0.510 nan 8.370 nan 0.000 0.447 569 K N 0.356 120.789 120.400 0.055 0.000 2.044 569 K HA -0.146 4.173 4.320 -0.001 0.000 0.210 569 K C 2.335 178.973 176.600 0.063 0.000 1.049 569 K CA 1.788 58.107 56.287 0.052 0.000 0.927 569 K CB -1.241 31.279 32.500 0.033 0.000 0.713 569 K HN 0.173 nan 8.250 nan 0.000 0.443 570 V N 0.624 120.585 119.914 0.077 0.000 2.453 570 V HA -0.174 3.945 4.120 -0.001 0.000 0.247 570 V C 2.482 178.634 176.094 0.096 0.000 1.048 570 V CA 1.433 63.786 62.300 0.088 0.000 1.049 570 V CB 0.037 31.932 31.823 0.120 0.000 0.672 570 V HN 0.386 nan 8.190 nan 0.000 0.457 571 V N 0.090 120.077 119.914 0.122 0.000 2.343 571 V HA -0.241 3.879 4.120 -0.001 0.000 0.247 571 V C 2.224 178.370 176.094 0.086 0.000 1.051 571 V CA 2.140 64.522 62.300 0.137 0.000 1.036 571 V CB -0.422 31.534 31.823 0.221 0.000 0.654 571 V HN 0.437 nan 8.190 nan 0.000 0.451 572 I N -0.110 120.503 120.570 0.071 0.000 2.208 572 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 572 I C 2.515 178.643 176.117 0.018 0.000 1.097 572 I CA 1.743 63.055 61.300 0.019 0.000 1.363 572 I CB -0.458 37.557 38.000 0.026 0.000 1.051 572 I HN 0.404 nan 8.210 nan 0.000 0.413 573 E N 0.931 121.150 120.200 0.031 0.000 2.110 573 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 573 E C 2.348 178.959 176.600 0.018 0.000 0.988 573 E CA 1.251 57.665 56.400 0.023 0.000 0.804 573 E CB -0.189 29.528 29.700 0.029 0.000 0.745 573 E HN 0.536 nan 8.360 nan 0.000 0.458 574 A N 0.777 123.613 122.820 0.028 0.000 1.898 574 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 574 A C 2.409 179.995 177.584 0.003 0.000 1.181 574 A CA 1.102 53.150 52.037 0.018 0.000 0.620 574 A CB -0.784 18.234 19.000 0.030 0.000 0.819 574 A HN 0.353 nan 8.150 nan 0.000 0.442 575 C N -0.473 118.829 119.300 0.004 0.000 2.429 575 C HA -0.086 4.373 4.460 -0.001 0.000 0.277 575 C C 2.385 177.362 174.990 -0.021 0.000 1.262 575 C CA 1.005 60.016 59.018 -0.013 0.000 1.733 575 C CB -1.118 26.612 27.740 -0.017 0.000 2.010 575 C HN 0.583 nan 8.230 nan 0.000 0.483 576 D N 0.259 120.651 120.400 -0.013 0.000 2.117 576 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 576 D C 2.166 178.457 176.300 -0.015 0.000 0.987 576 D CA 1.182 55.173 54.000 -0.014 0.000 0.829 576 D CB -0.530 40.266 40.800 -0.006 0.000 0.961 576 D HN 0.656 nan 8.370 nan 0.000 0.460 577 E N 0.391 120.585 120.200 -0.011 0.000 2.110 577 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 577 E C 1.811 178.398 176.600 -0.021 0.000 0.988 577 E CA 0.655 57.047 56.400 -0.012 0.000 0.804 577 E CB 0.004 29.700 29.700 -0.006 0.000 0.745 577 E HN 0.250 nan 8.360 nan 0.000 0.458 578 L N -0.475 120.732 121.223 -0.027 0.000 2.592 578 L HA 0.260 4.600 4.340 -0.001 0.000 0.227 578 L C 1.210 178.047 176.870 -0.056 0.000 1.127 578 L CA 0.299 55.115 54.840 -0.040 0.000 0.884 578 L CB 0.392 42.426 42.059 -0.042 0.000 1.065 578 L HN 0.368 nan 8.230 nan 0.000 0.457 579 G N 1.293 110.062 108.800 -0.052 0.000 2.160 579 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.244 579 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.244 579 G C 0.004 174.844 174.900 -0.099 0.000 1.022 579 G CA -0.109 44.951 45.100 -0.066 0.000 0.741 579 G HN 0.306 nan 8.290 nan 0.000 0.508 580 I N 0.503 121.020 120.570 -0.089 0.000 2.412 580 I HA 0.454 4.623 4.170 -0.001 0.000 0.296 580 I C 0.768 176.845 176.117 -0.067 0.000 0.987 580 I CA -1.121 60.110 61.300 -0.116 0.000 1.180 580 I CB 1.538 39.481 38.000 -0.095 0.000 1.340 580 I HN -0.027 nan 8.210 nan 0.000 0.455 581 I N 6.542 127.081 120.570 -0.051 0.000 2.371 581 I HA 0.197 4.367 4.170 -0.001 0.000 0.290 581 I C -0.582 175.552 176.117 0.027 0.000 1.028 581 I CA -0.414 60.903 61.300 0.029 0.000 1.345 581 I CB 1.228 39.317 38.000 0.148 0.000 1.407 581 I HN 0.314 nan 8.210 nan 0.000 0.501 582 L N 7.564 128.779 121.223 -0.013 0.000 2.325 582 L HA 0.714 5.053 4.340 -0.001 0.000 0.281 582 L C -0.352 176.475 176.870 -0.071 0.000 1.004 582 L CA -0.220 54.583 54.840 -0.061 0.000 0.823 582 L CB 1.429 43.399 42.059 -0.148 0.000 1.236 582 L HN 0.628 nan 8.230 nan 0.000 0.415 583 A N 4.162 126.974 122.820 -0.014 0.000 2.258 583 A HA 0.486 4.805 4.320 -0.001 0.000 0.316 583 A C -0.888 176.734 177.584 0.063 0.000 1.279 583 A CA -0.332 51.737 52.037 0.054 0.000 0.876 583 A CB -0.129 18.982 19.000 0.186 0.000 1.170 583 A HN 0.892 nan 8.150 nan 0.000 0.520 584 H N 1.484 120.563 119.070 0.014 0.000 2.489 584 H HA 0.492 5.047 4.556 -0.001 0.000 0.322 584 H C 0.789 176.085 175.328 -0.053 0.000 1.091 584 H CA 0.222 56.256 56.048 -0.024 0.000 1.291 584 H CB 1.428 31.173 29.762 -0.029 0.000 1.436 584 H HN 0.802 nan 8.280 nan 0.000 0.480 585 T N -0.249 114.336 114.554 0.050 0.000 2.905 585 T HA 0.156 4.506 4.350 -0.001 0.000 0.283 585 T C 0.480 175.121 174.700 -0.100 0.000 1.031 585 T CA -1.043 61.018 62.100 -0.064 0.000 1.002 585 T CB 1.495 70.289 68.868 -0.123 0.000 1.200 585 T HN 0.700 nan 8.240 nan 0.000 0.560 586 N N -0.388 118.242 118.700 -0.117 0.000 2.351 586 N HA 0.207 4.947 4.740 -0.001 0.000 0.254 586 N C -0.925 174.510 175.510 -0.125 0.000 1.241 586 N CA -0.266 52.714 53.050 -0.117 0.000 0.883 586 N CB 0.194 38.620 38.487 -0.102 0.000 1.202 586 N HN 0.411 nan 8.380 nan 0.000 0.512 587 L N 1.899 123.039 121.223 -0.139 0.000 2.356 587 L HA 0.406 4.745 4.340 -0.001 0.000 0.264 587 L C -0.187 176.586 176.870 -0.162 0.000 1.029 587 L CA -0.493 54.259 54.840 -0.146 0.000 0.897 587 L CB 0.648 42.612 42.059 -0.158 0.000 1.256 587 L HN -0.012 nan 8.230 nan 0.000 0.444 588 R N 3.743 124.131 120.500 -0.188 0.000 2.490 588 R HA 0.443 4.782 4.340 -0.001 0.000 0.280 588 R C -0.487 175.667 176.300 -0.243 0.000 1.077 588 R CA -0.259 55.676 56.100 -0.275 0.000 1.065 588 R CB 0.603 30.667 30.300 -0.394 0.000 1.003 588 R HN 0.747 nan 8.270 nan 0.000 0.470 589 L N 5.347 126.430 121.223 -0.234 0.000 3.096 589 L HA 0.306 4.645 4.340 -0.001 0.000 0.272 589 L C -0.669 176.214 176.870 0.021 0.000 1.311 589 L CA -0.603 54.161 54.840 -0.127 0.000 0.943 589 L CB 0.036 42.022 42.059 -0.122 0.000 1.348 589 L HN 0.463 nan 8.230 nan 0.000 0.562 590 F N 0.360 120.275 119.950 -0.059 0.000 2.545 590 F HA 0.217 4.743 4.527 -0.001 0.000 0.348 590 F C 0.687 176.466 175.800 -0.036 0.000 1.163 590 F CA -0.174 57.785 58.000 -0.067 0.000 1.331 590 F CB 0.135 39.127 39.000 -0.013 0.000 1.138 590 F HN 0.168 nan 8.300 nan 0.000 0.602 591 H N 2.389 121.390 119.070 -0.114 0.000 3.083 591 H HA 0.423 4.978 4.556 -0.001 0.000 0.339 591 H C -1.283 173.841 175.328 -0.339 0.000 1.020 591 H CA -0.389 55.578 56.048 -0.134 0.000 1.360 591 H CB 0.589 30.299 29.762 -0.087 0.000 1.811 591 H HN 0.573 nan 8.280 nan 0.000 0.493 592 H N 0.000 118.951 119.070 -0.198 0.000 2.539 592 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 592 H CA 0.000 55.932 56.048 -0.194 0.000 1.023 592 H CB 0.000 29.713 29.762 -0.082 0.000 1.292 592 H HN 0.000 nan 8.280 nan 0.000 0.496