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 2f5z_1_B DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TcLNVGcIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.302 177.300 0.003 0.000 1.155 4 P CA 0.000 63.102 63.100 0.003 0.000 0.800 4 P CB 0.000 31.703 31.700 0.005 0.000 0.726 5 I N -0.753 119.819 120.570 0.003 0.000 3.076 5 I HA 0.913 5.083 4.170 -0.000 0.000 0.313 5 I C -0.741 175.378 176.117 0.004 0.000 1.053 5 I CA -0.633 60.669 61.300 0.003 0.000 1.048 5 I CB 2.245 40.245 38.000 0.000 0.000 1.264 5 I HN 0.233 nan 8.210 nan 0.000 0.498 6 D N 1.477 121.880 120.400 0.005 0.000 2.552 6 D HA 0.810 5.450 4.640 -0.000 0.000 0.239 6 D C -1.091 175.215 176.300 0.008 0.000 1.139 6 D CA -0.643 53.362 54.000 0.007 0.000 0.914 6 D CB 2.264 43.070 40.800 0.011 0.000 1.461 6 D HN 1.017 nan 8.370 nan 0.000 0.462 7 A N 0.353 123.180 122.820 0.010 0.000 2.511 7 A HA 0.453 4.773 4.320 -0.000 0.000 0.293 7 A C -0.785 176.810 177.584 0.018 0.000 1.098 7 A CA -0.518 51.527 52.037 0.015 0.000 0.643 7 A CB 1.027 20.027 19.000 0.001 0.000 1.302 7 A HN 0.432 nan 8.150 nan 0.000 0.446 8 D N -0.925 119.495 120.400 0.034 0.000 2.162 8 D HA 0.278 4.918 4.640 -0.000 0.000 0.205 8 D C 0.164 176.411 176.300 -0.088 0.000 0.964 8 D CA 1.549 55.566 54.000 0.029 0.000 0.847 8 D CB 0.287 41.194 40.800 0.179 0.000 0.988 8 D HN 0.272 nan 8.370 nan 0.000 0.480 9 V N 0.324 120.167 119.914 -0.118 0.000 2.577 9 V HA 0.394 4.514 4.120 -0.000 0.000 0.303 9 V C -0.451 175.585 176.094 -0.097 0.000 1.042 9 V CA -0.701 61.495 62.300 -0.174 0.000 0.872 9 V CB 2.152 33.769 31.823 -0.344 0.000 0.998 9 V HN -0.114 nan 8.190 nan 0.000 0.423 10 T N 4.023 118.538 114.554 -0.064 0.000 2.791 10 T HA 0.461 4.811 4.350 -0.000 0.000 0.288 10 T C -0.691 173.993 174.700 -0.027 0.000 0.999 10 T CA -0.216 61.862 62.100 -0.037 0.000 0.952 10 T CB 1.507 70.367 68.868 -0.012 0.000 0.938 10 T HN 0.494 nan 8.240 nan 0.000 0.444 11 V N 6.525 126.422 119.914 -0.028 0.000 2.398 11 V HA 0.581 4.701 4.120 -0.000 0.000 0.286 11 V C -0.565 175.543 176.094 0.023 0.000 1.026 11 V CA -0.853 61.442 62.300 -0.008 0.000 0.868 11 V CB 0.668 32.480 31.823 -0.019 0.000 0.982 11 V HN 0.819 nan 8.190 nan 0.000 0.443 12 I N 7.478 128.066 120.570 0.029 0.000 2.306 12 I HA 0.720 4.890 4.170 -0.000 0.000 0.288 12 I C 0.590 176.730 176.117 0.038 0.000 1.036 12 I CA 0.141 61.460 61.300 0.032 0.000 1.221 12 I CB 0.979 38.992 38.000 0.021 0.000 1.385 12 I HN 0.942 nan 8.210 nan 0.000 0.472 13 G N 3.675 112.507 108.800 0.054 0.000 3.326 13 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.681 13 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.681 13 G C -0.131 174.832 174.900 0.104 0.000 1.255 13 G CA -0.348 44.788 45.100 0.060 0.000 0.976 13 G HN 0.694 nan 8.290 nan 0.000 0.563 14 S N 1.264 117.033 115.700 0.116 0.000 2.506 14 S HA 0.628 5.098 4.470 -0.000 0.000 0.245 14 S C 1.205 175.911 174.600 0.178 0.000 1.088 14 S CA 0.572 58.881 58.200 0.182 0.000 1.099 14 S CB 0.754 64.034 63.200 0.133 0.000 0.805 14 S HN 1.750 nan 8.310 nan 0.000 0.461 15 G N 2.069 110.961 108.800 0.154 0.000 2.510 15 G HA2 0.489 4.449 3.960 -0.000 0.000 0.280 15 G HA3 0.489 4.449 3.960 -0.000 0.000 0.280 15 G C -1.761 173.286 174.900 0.245 0.000 1.386 15 G CA -1.870 43.324 45.100 0.158 0.000 1.047 15 G HN 0.171 nan 8.290 nan 0.000 0.527 16 P HA -0.162 nan 4.420 nan 0.000 0.217 16 P C 1.991 179.213 177.300 -0.130 0.000 1.162 16 P CA 2.313 65.447 63.100 0.057 0.000 0.901 16 P CB -0.031 31.698 31.700 0.047 0.000 0.793 17 G N -1.207 107.552 108.800 -0.068 0.000 2.394 17 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.215 17 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.215 17 G C 1.767 176.604 174.900 -0.105 0.000 1.165 17 G CA 0.873 45.907 45.100 -0.109 0.000 0.784 17 G HN 0.376 nan 8.290 nan 0.000 0.535 18 G N 0.574 109.363 108.800 -0.018 0.000 2.453 18 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 18 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 18 G C 1.727 176.688 174.900 0.102 0.000 1.201 18 G CA 1.334 46.458 45.100 0.040 0.000 0.784 18 G HN 0.605 nan 8.290 nan 0.000 0.545 19 Y N 0.603 120.980 120.300 0.128 0.000 2.352 19 Y HA 0.136 4.686 4.550 -0.000 0.000 0.292 19 Y C 2.353 178.387 175.900 0.222 0.000 1.136 19 Y CA 0.951 59.219 58.100 0.280 0.000 1.227 19 Y CB -0.570 37.934 38.460 0.073 0.000 0.991 19 Y HN 0.019 nan 8.280 nan 0.000 0.545 20 V N 1.172 120.674 119.914 -0.687 0.000 2.379 20 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 20 V C 2.844 178.823 176.094 -0.191 0.000 1.044 20 V CA 1.676 63.654 62.300 -0.536 0.000 1.036 20 V CB -1.257 30.231 31.823 -0.558 0.000 0.664 20 V HN 0.620 nan 8.190 nan 0.000 0.453 21 A N 0.061 122.785 122.820 -0.161 0.000 1.902 21 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 21 A C 2.419 179.962 177.584 -0.069 0.000 1.181 21 A CA 2.113 54.079 52.037 -0.118 0.000 0.623 21 A CB -0.805 18.116 19.000 -0.131 0.000 0.818 21 A HN 0.561 nan 8.150 nan 0.000 0.443 22 A N -0.190 122.611 122.820 -0.031 0.000 1.902 22 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 22 A C 2.137 179.692 177.584 -0.048 0.000 1.181 22 A CA 1.592 53.589 52.037 -0.066 0.000 0.623 22 A CB -0.573 18.348 19.000 -0.131 0.000 0.818 22 A HN 0.502 nan 8.150 nan 0.000 0.443 23 I N -1.168 119.441 120.570 0.065 0.000 2.315 23 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 23 I C 2.463 178.608 176.117 0.047 0.000 1.117 23 I CA 1.556 62.916 61.300 0.100 0.000 1.404 23 I CB -0.090 38.043 38.000 0.222 0.000 1.071 23 I HN 0.195 nan 8.210 nan 0.000 0.419 24 K N 1.421 121.833 120.400 0.020 0.000 2.155 24 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 24 K C 1.969 178.600 176.600 0.052 0.000 1.052 24 K CA 1.351 57.648 56.287 0.016 0.000 0.948 24 K CB -0.265 32.227 32.500 -0.014 0.000 0.728 24 K HN 0.264 nan 8.250 nan 0.000 0.448 25 A N 0.472 123.333 122.820 0.068 0.000 1.855 25 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 25 A C 2.353 180.051 177.584 0.190 0.000 1.191 25 A CA 1.921 54.078 52.037 0.200 0.000 0.613 25 A CB -1.071 17.982 19.000 0.088 0.000 0.829 25 A HN 0.347 nan 8.150 nan 0.000 0.442 26 A N -1.058 121.808 122.820 0.078 0.000 1.972 26 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 26 A C 2.022 179.616 177.584 0.016 0.000 1.169 26 A CA 1.597 53.660 52.037 0.042 0.000 0.635 26 A CB -0.491 18.508 19.000 -0.003 0.000 0.810 26 A HN 0.643 nan 8.150 nan 0.000 0.446 27 Q N -1.082 118.729 119.800 0.019 0.000 2.488 27 Q HA 0.163 4.503 4.340 -0.000 0.000 0.211 27 Q C 0.456 176.437 176.000 -0.030 0.000 0.967 27 Q CA 0.402 56.205 55.803 -0.000 0.000 0.926 27 Q CB -0.014 28.731 28.738 0.011 0.000 0.992 27 Q HN 0.645 nan 8.270 nan 0.000 0.506 28 L N -1.396 119.797 121.223 -0.049 0.000 3.202 28 L HA 0.328 4.668 4.340 -0.000 0.000 0.278 28 L C 0.831 177.505 176.870 -0.327 0.000 1.268 28 L CA 0.053 54.800 54.840 -0.156 0.000 1.034 28 L CB 0.654 42.635 42.059 -0.129 0.000 1.407 28 L HN 0.266 nan 8.230 nan 0.000 0.581 29 G N -0.132 108.551 108.800 -0.195 0.000 2.205 29 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.261 29 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.261 29 G C 0.146 174.952 174.900 -0.157 0.000 0.980 29 G CA -0.196 44.785 45.100 -0.197 0.000 0.632 29 G HN 0.189 nan 8.290 nan 0.000 0.533 30 F N 1.657 121.589 119.950 -0.031 0.000 2.495 30 F HA 0.457 4.983 4.527 -0.000 0.000 0.365 30 F C 1.098 176.875 175.800 -0.038 0.000 1.090 30 F CA -0.725 57.255 58.000 -0.034 0.000 1.235 30 F CB 0.886 39.859 39.000 -0.043 0.000 1.119 30 F HN -0.153 nan 8.300 nan 0.000 0.562 31 K N 3.092 123.598 120.400 0.177 0.000 2.383 31 K HA 0.179 4.499 4.320 -0.000 0.000 0.286 31 K C -0.706 175.927 176.600 0.055 0.000 1.051 31 K CA 0.182 56.514 56.287 0.076 0.000 0.974 31 K CB 0.241 32.773 32.500 0.054 0.000 0.968 31 K HN 0.733 nan 8.250 nan 0.000 0.475 32 T N 2.453 117.010 114.554 0.005 0.000 2.876 32 T HA 0.462 4.812 4.350 -0.000 0.000 0.289 32 T C -0.695 173.950 174.700 -0.092 0.000 1.014 32 T CA -0.698 61.373 62.100 -0.048 0.000 0.986 32 T CB 1.916 70.742 68.868 -0.070 0.000 1.021 32 T HN 0.239 nan 8.240 nan 0.000 0.458 33 V N 1.383 121.243 119.914 -0.089 0.000 2.735 33 V HA 0.637 4.757 4.120 -0.000 0.000 0.310 33 V C -0.556 175.487 176.094 -0.086 0.000 1.061 33 V CA -0.824 61.426 62.300 -0.083 0.000 0.913 33 V CB 2.056 33.858 31.823 -0.034 0.000 1.005 33 V HN 1.131 nan 8.190 nan 0.000 0.428 34 C N 6.239 125.497 119.300 -0.071 0.000 2.441 34 C HA 0.749 5.209 4.460 -0.000 0.000 0.318 34 C C -0.525 174.555 174.990 0.150 0.000 1.222 34 C CA -0.453 58.572 59.018 0.011 0.000 1.474 34 C CB -0.208 27.511 27.740 -0.036 0.000 2.125 34 C HN 0.794 nan 8.230 nan 0.000 0.479 35 I N 4.548 125.195 120.570 0.127 0.000 2.404 35 I HA 0.553 4.723 4.170 -0.000 0.000 0.293 35 I C -0.557 175.645 176.117 0.141 0.000 0.992 35 I CA -0.073 61.310 61.300 0.138 0.000 1.149 35 I CB 1.767 39.809 38.000 0.070 0.000 1.315 35 I HN 0.580 nan 8.210 nan 0.000 0.446 36 E N 5.157 125.467 120.200 0.183 0.000 2.275 36 E HA 0.286 4.636 4.350 -0.000 0.000 0.270 36 E C -0.048 176.613 176.600 0.102 0.000 0.882 36 E CA -0.815 55.663 56.400 0.129 0.000 0.758 36 E CB 1.627 31.419 29.700 0.152 0.000 1.195 36 E HN 0.577 nan 8.360 nan 0.000 0.419 37 K N 2.387 122.803 120.400 0.027 0.000 2.116 37 K HA 0.114 4.434 4.320 -0.000 0.000 0.203 37 K C 0.127 176.764 176.600 0.061 0.000 1.052 37 K CA 0.328 56.641 56.287 0.044 0.000 0.952 37 K CB -0.181 32.314 32.500 -0.008 0.000 0.729 37 K HN 0.229 nan 8.250 nan 0.000 0.446 38 N N 1.742 120.462 118.700 0.033 0.000 2.399 38 N HA -0.007 4.733 4.740 -0.000 0.000 0.250 38 N C 0.240 175.776 175.510 0.045 0.000 1.272 38 N CA -0.123 52.943 53.050 0.026 0.000 0.928 38 N CB 0.745 39.227 38.487 -0.008 0.000 1.158 38 N HN 0.131 nan 8.380 nan 0.000 0.463 39 E N -1.090 119.129 120.200 0.032 0.000 2.338 39 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 39 E C 0.259 176.876 176.600 0.027 0.000 1.007 39 E CA 0.725 57.149 56.400 0.039 0.000 0.849 39 E CB -0.143 29.570 29.700 0.023 0.000 0.774 39 E HN 0.708 nan 8.360 nan 0.000 0.506 40 T N -2.525 112.026 114.554 -0.005 0.000 2.906 40 T HA 0.636 4.986 4.350 -0.000 0.000 0.295 40 T C -0.100 174.548 174.700 -0.087 0.000 1.075 40 T CA -1.049 61.020 62.100 -0.051 0.000 1.005 40 T CB 1.248 70.077 68.868 -0.066 0.000 1.136 40 T HN -0.075 nan 8.240 nan 0.000 0.498 41 L N 0.749 121.869 121.223 -0.171 0.000 2.448 41 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 41 L C 1.746 178.486 176.870 -0.217 0.000 1.104 41 L CA -0.078 54.627 54.840 -0.224 0.000 0.800 41 L CB 0.534 42.348 42.059 -0.408 0.000 1.241 41 L HN 1.169 nan 8.230 nan 0.000 0.472 42 G N -0.869 107.808 108.800 -0.205 0.000 2.278 42 G HA2 0.015 3.975 3.960 -0.000 0.000 0.210 42 G HA3 0.015 3.975 3.960 -0.000 0.000 0.210 42 G C 0.619 175.495 174.900 -0.040 0.000 1.000 42 G CA -0.137 44.860 45.100 -0.171 0.000 0.635 42 G HN 1.461 nan 8.290 nan 0.000 0.495 43 G N -0.838 107.943 108.800 -0.033 0.000 2.569 43 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.259 43 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.259 43 G C 0.990 175.876 174.900 -0.023 0.000 1.263 43 G CA 1.303 46.395 45.100 -0.012 0.000 0.928 43 G HN 1.320 nan 8.290 nan 0.000 0.572 44 T N -0.394 114.152 114.554 -0.014 0.000 2.643 44 T HA -0.190 4.160 4.350 -0.000 0.000 0.264 44 T C 2.466 177.159 174.700 -0.011 0.000 1.045 44 T CA 2.625 64.715 62.100 -0.017 0.000 1.155 44 T CB -0.824 68.038 68.868 -0.009 0.000 0.863 44 T HN 1.068 nan 8.240 nan 0.000 0.420 45 c N 1.193 119.795 118.600 0.003 0.000 2.363 45 c HA -0.127 4.443 4.570 -0.000 0.000 0.274 45 c C 2.609 176.688 174.090 -0.019 0.000 1.183 45 c CA 1.191 57.522 56.329 0.002 0.000 1.771 45 c CB -1.374 41.152 42.510 0.027 0.000 2.059 45 c HN 0.524 nan 8.230 nan 0.000 0.455 46 L N 1.397 122.604 121.223 -0.027 0.000 2.072 46 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 46 L C 2.173 179.009 176.870 -0.057 0.000 1.079 46 L CA 2.027 56.834 54.840 -0.055 0.000 0.752 46 L CB -0.979 41.026 42.059 -0.091 0.000 0.906 46 L HN 0.433 nan 8.230 nan 0.000 0.436 47 N N -0.781 117.889 118.700 -0.050 0.000 2.336 47 N HA 0.020 4.760 4.740 -0.000 0.000 0.177 47 N C 1.029 176.520 175.510 -0.031 0.000 1.018 47 N CA 1.572 54.595 53.050 -0.045 0.000 0.878 47 N CB 0.687 39.146 38.487 -0.047 0.000 0.997 47 N HN 0.410 nan 8.380 nan 0.000 0.433 48 V N -3.863 116.036 119.914 -0.025 0.000 3.265 48 V HA 0.591 4.711 4.120 -0.000 0.000 0.346 48 V C 0.519 176.610 176.094 -0.006 0.000 1.447 48 V CA -0.163 62.129 62.300 -0.013 0.000 1.179 48 V CB 0.504 32.319 31.823 -0.013 0.000 1.103 48 V HN 0.099 nan 8.190 nan 0.000 0.530 49 G N -0.002 108.790 108.800 -0.013 0.000 3.267 49 G HA2 0.207 4.167 3.960 -0.000 0.000 0.200 49 G HA3 0.207 4.167 3.960 -0.000 0.000 0.200 49 G C 1.045 175.932 174.900 -0.023 0.000 1.603 49 G CA 0.717 45.813 45.100 -0.006 0.000 0.753 49 G HN 0.276 nan 8.290 nan 0.000 0.755 50 c N 0.941 119.521 118.600 -0.032 0.000 2.359 50 c HA -0.100 4.470 4.570 -0.000 0.000 0.277 50 c C 2.814 176.831 174.090 -0.122 0.000 1.192 50 c CA 0.636 56.916 56.329 -0.082 0.000 1.759 50 c CB -1.274 41.192 42.510 -0.073 0.000 2.038 50 c HN 0.417 nan 8.230 nan 0.000 0.448 51 I N 2.458 122.973 120.570 -0.093 0.000 2.076 51 I HA -0.131 4.038 4.170 -0.000 0.000 0.237 51 I C 0.202 176.269 176.117 -0.083 0.000 1.059 51 I CA 1.809 63.053 61.300 -0.094 0.000 1.317 51 I CB -2.897 35.059 38.000 -0.073 0.000 1.037 51 I HN 0.269 nan 8.210 nan 0.000 0.398 52 P HA -0.106 nan 4.420 nan 0.000 0.218 52 P C 1.791 179.060 177.300 -0.052 0.000 1.149 52 P CA 1.996 65.068 63.100 -0.046 0.000 0.817 52 P CB -0.115 31.570 31.700 -0.027 0.000 0.785 53 S N -0.030 115.638 115.700 -0.054 0.000 2.387 53 S HA -0.082 4.388 4.470 -0.000 0.000 0.226 53 S C 2.012 176.560 174.600 -0.086 0.000 1.026 53 S CA 0.948 59.117 58.200 -0.052 0.000 0.972 53 S CB -0.785 62.401 63.200 -0.023 0.000 0.814 53 S HN 0.014 nan 8.310 nan 0.000 0.477 54 K N 2.162 122.478 120.400 -0.141 0.000 2.097 54 K HA 0.289 4.608 4.320 -0.000 0.000 0.205 54 K C 2.343 178.882 176.600 -0.102 0.000 1.050 54 K CA 1.102 57.283 56.287 -0.177 0.000 0.938 54 K CB -0.929 31.385 32.500 -0.310 0.000 0.718 54 K HN 0.455 nan 8.250 nan 0.000 0.442 55 A N 0.633 123.402 122.820 -0.084 0.000 1.908 55 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 55 A C 2.077 179.626 177.584 -0.058 0.000 1.181 55 A CA 1.465 53.470 52.037 -0.053 0.000 0.627 55 A CB -0.687 18.285 19.000 -0.047 0.000 0.818 55 A HN 0.218 nan 8.150 nan 0.000 0.445 56 L N -0.977 120.194 121.223 -0.087 0.000 2.156 56 L HA -0.093 4.246 4.340 -0.000 0.000 0.208 56 L C 2.504 179.293 176.870 -0.136 0.000 1.095 56 L CA 0.626 55.383 54.840 -0.139 0.000 0.770 56 L CB -0.461 41.480 42.059 -0.196 0.000 0.914 56 L HN 0.354 nan 8.230 nan 0.000 0.439 57 L N -0.266 120.902 121.223 -0.092 0.000 2.056 57 L HA -0.227 4.113 4.340 -0.000 0.000 0.207 57 L C 2.467 179.312 176.870 -0.043 0.000 1.078 57 L CA 1.374 56.183 54.840 -0.053 0.000 0.749 57 L CB -0.605 41.453 42.059 -0.001 0.000 0.901 57 L HN 0.410 nan 8.230 nan 0.000 0.433 58 N N 0.059 118.727 118.700 -0.053 0.000 2.058 58 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 58 N C 1.573 177.036 175.510 -0.080 0.000 1.037 58 N CA 1.505 54.501 53.050 -0.090 0.000 0.848 58 N CB 0.052 38.532 38.487 -0.012 0.000 1.021 58 N HN 0.329 nan 8.380 nan 0.000 0.422 59 N N 0.740 119.452 118.700 0.019 0.000 2.120 59 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 59 N C 1.961 177.502 175.510 0.051 0.000 1.024 59 N CA 1.570 54.673 53.050 0.088 0.000 0.852 59 N CB -0.665 37.839 38.487 0.028 0.000 1.003 59 N HN 0.385 nan 8.380 nan 0.000 0.424 60 S N 0.112 115.789 115.700 -0.038 0.000 2.402 60 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 60 S C 1.836 176.478 174.600 0.071 0.000 1.021 60 S CA 0.805 58.986 58.200 -0.032 0.000 0.974 60 S CB -0.713 62.386 63.200 -0.167 0.000 0.800 60 S HN 0.472 nan 8.310 nan 0.000 0.484 61 H N -0.065 118.950 119.070 -0.091 0.000 2.353 61 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 61 H C 1.726 176.983 175.328 -0.119 0.000 1.090 61 H CA 1.823 57.789 56.048 -0.137 0.000 1.327 61 H CB -0.215 29.363 29.762 -0.307 0.000 1.383 61 H HN 0.478 nan 8.280 nan 0.000 0.508 62 Y N -0.249 119.940 120.300 -0.185 0.000 2.200 62 Y HA -0.227 4.323 4.550 -0.000 0.000 0.290 62 Y C 2.630 178.346 175.900 -0.307 0.000 1.137 62 Y CA 1.256 59.175 58.100 -0.301 0.000 1.163 62 Y CB -1.181 37.199 38.460 -0.132 0.000 0.988 62 Y HN 0.309 nan 8.280 nan 0.000 0.518 63 Y N 0.017 120.275 120.300 -0.070 0.000 2.128 63 Y HA -0.338 4.212 4.550 -0.000 0.000 0.284 63 Y C 2.833 178.668 175.900 -0.109 0.000 1.154 63 Y CA 2.309 60.353 58.100 -0.094 0.000 1.149 63 Y CB -0.729 37.687 38.460 -0.074 0.000 0.976 63 Y HN 0.250 nan 8.280 nan 0.000 0.505 64 H N -0.290 118.703 119.070 -0.127 0.000 2.353 64 H HA -0.167 4.388 4.556 -0.000 0.000 0.300 64 H C 2.033 177.195 175.328 -0.277 0.000 1.090 64 H CA 2.426 58.379 56.048 -0.159 0.000 1.327 64 H CB -0.316 29.424 29.762 -0.036 0.000 1.383 64 H HN 0.401 nan 8.280 nan 0.000 0.508 65 M N -0.685 118.571 119.600 -0.573 0.000 2.159 65 M HA -0.094 4.385 4.480 -0.000 0.000 0.263 65 M C 2.547 178.344 176.300 -0.838 0.000 1.063 65 M CA 1.504 56.406 55.300 -0.663 0.000 1.110 65 M CB -0.115 32.107 32.600 -0.629 0.000 1.374 65 M HN 0.471 nan 8.290 nan 0.000 0.411 66 A N -1.035 121.202 122.820 -0.972 0.000 1.898 66 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 66 A C 2.024 179.333 177.584 -0.459 0.000 1.183 66 A CA 1.227 52.773 52.037 -0.819 0.000 0.622 66 A CB -0.936 17.663 19.000 -0.668 0.000 0.824 66 A HN 0.505 nan 8.150 nan 0.000 0.444 67 H N 0.071 118.762 119.070 -0.632 0.000 2.428 67 H HA 0.027 4.583 4.556 -0.000 0.000 0.296 67 H C 1.503 176.633 175.328 -0.330 0.000 1.062 67 H CA 1.320 57.056 56.048 -0.520 0.000 1.350 67 H CB -0.204 29.069 29.762 -0.815 0.000 1.403 67 H HN 0.423 nan 8.280 nan 0.000 0.533 68 G N -0.595 108.038 108.800 -0.279 0.000 2.735 68 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.192 68 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.192 68 G C 1.165 175.947 174.900 -0.197 0.000 1.547 68 G CA 0.678 45.635 45.100 -0.238 0.000 1.080 68 G HN 0.419 nan 8.290 nan 0.000 0.569 69 T N -2.880 111.588 114.554 -0.144 0.000 3.060 69 T HA 0.070 4.420 4.350 -0.000 0.000 0.249 69 T C 1.480 176.164 174.700 -0.027 0.000 1.079 69 T CA 1.172 63.233 62.100 -0.065 0.000 1.013 69 T CB 0.180 69.036 68.868 -0.021 0.000 0.975 69 T HN 0.421 nan 8.240 nan 0.000 0.518 70 D N 0.655 121.026 120.400 -0.049 0.000 2.087 70 D HA -0.144 4.496 4.640 -0.000 0.000 0.192 70 D C 1.454 177.871 176.300 0.196 0.000 0.993 70 D CA 1.181 55.218 54.000 0.062 0.000 0.828 70 D CB -0.135 40.695 40.800 0.051 0.000 0.968 70 D HN 0.321 nan 8.370 nan 0.000 0.448 71 F N 1.443 121.327 119.950 -0.110 0.000 2.171 71 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 71 F C 2.607 178.363 175.800 -0.073 0.000 1.090 71 F CA 0.795 58.742 58.000 -0.089 0.000 1.293 71 F CB -1.146 37.791 39.000 -0.105 0.000 1.013 71 F HN 0.003 nan 8.300 nan 0.000 0.486 72 A N -0.252 122.631 122.820 0.105 0.000 1.933 72 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 72 A C 2.343 179.932 177.584 0.008 0.000 1.175 72 A CA 1.937 53.991 52.037 0.028 0.000 0.628 72 A CB -1.140 17.859 19.000 -0.001 0.000 0.814 72 A HN 0.398 nan 8.150 nan 0.000 0.444 73 S N -0.426 115.285 115.700 0.018 0.000 2.474 73 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 73 S C 1.515 176.108 174.600 -0.011 0.000 0.997 73 S CA 0.958 59.163 58.200 0.008 0.000 0.949 73 S CB -0.310 62.902 63.200 0.021 0.000 0.766 73 S HN 0.627 nan 8.310 nan 0.000 0.517 74 R N 0.446 120.925 120.500 -0.035 0.000 2.393 74 R HA 0.347 4.687 4.340 -0.000 0.000 0.244 74 R C 1.329 177.572 176.300 -0.095 0.000 0.920 74 R CA 0.326 56.377 56.100 -0.082 0.000 1.076 74 R CB 0.107 30.312 30.300 -0.158 0.000 1.119 74 R HN 0.516 nan 8.270 nan 0.000 0.524 75 G N 1.592 110.353 108.800 -0.066 0.000 2.143 75 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.249 75 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.249 75 G C 0.136 174.990 174.900 -0.076 0.000 0.981 75 G CA -0.255 44.808 45.100 -0.061 0.000 0.665 75 G HN 0.286 nan 8.290 nan 0.000 0.528 76 I N 2.162 122.673 120.570 -0.098 0.000 2.310 76 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 76 I C 0.043 176.158 176.117 -0.004 0.000 1.073 76 I CA -0.487 60.757 61.300 -0.094 0.000 1.216 76 I CB 0.572 38.420 38.000 -0.254 0.000 1.415 76 I HN 0.091 nan 8.210 nan 0.000 0.480 77 E N 7.130 127.324 120.200 -0.011 0.000 2.197 77 E HA 0.604 4.954 4.350 -0.000 0.000 0.281 77 E C -0.879 175.721 176.600 -0.000 0.000 0.995 77 E CA -0.802 55.596 56.400 -0.004 0.000 0.808 77 E CB 2.378 32.069 29.700 -0.015 0.000 1.093 77 E HN 0.352 nan 8.360 nan 0.000 0.394 78 M N 1.145 120.741 119.600 -0.008 0.000 2.327 78 M HA 0.168 4.648 4.480 -0.000 0.000 0.298 78 M C 0.739 177.020 176.300 -0.032 0.000 1.065 78 M CA -0.302 54.989 55.300 -0.015 0.000 0.916 78 M CB 2.216 34.806 32.600 -0.016 0.000 1.630 78 M HN 0.334 nan 8.290 nan 0.000 0.442 79 S N 0.816 116.501 115.700 -0.024 0.000 2.345 79 S HA -0.081 4.389 4.470 -0.000 0.000 0.220 79 S C 0.341 174.919 174.600 -0.037 0.000 1.031 79 S CA 1.294 59.477 58.200 -0.027 0.000 0.996 79 S CB -0.218 62.972 63.200 -0.016 0.000 0.882 79 S HN 0.772 nan 8.310 nan 0.000 0.445 80 E N -0.351 119.831 120.200 -0.029 0.000 2.356 80 E HA 0.623 4.972 4.350 -0.000 0.000 0.275 80 E C -1.769 174.818 176.600 -0.020 0.000 0.904 80 E CA -0.906 55.476 56.400 -0.030 0.000 0.757 80 E CB 1.926 31.625 29.700 -0.002 0.000 1.232 80 E HN -0.077 nan 8.360 nan 0.000 0.442 81 V N 2.767 122.670 119.914 -0.019 0.000 2.525 81 V HA 0.579 4.699 4.120 -0.000 0.000 0.299 81 V C -0.505 175.689 176.094 0.166 0.000 1.034 81 V CA -0.656 61.654 62.300 0.017 0.000 0.863 81 V CB 1.333 33.096 31.823 -0.101 0.000 0.999 81 V HN 0.814 nan 8.190 nan 0.000 0.423 82 R N 3.890 124.505 120.500 0.192 0.000 2.837 82 R HA 0.834 5.174 4.340 -0.000 0.000 0.271 82 R C -1.605 174.872 176.300 0.295 0.000 0.993 82 R CA -0.997 55.260 56.100 0.262 0.000 0.931 82 R CB 2.120 32.507 30.300 0.145 0.000 1.206 82 R HN 0.496 nan 8.270 nan 0.000 0.474 83 L N 2.054 123.399 121.223 0.204 0.000 2.276 83 L HA 0.359 4.699 4.340 -0.000 0.000 0.286 83 L C -0.813 176.049 176.870 -0.014 0.000 1.061 83 L CA -0.153 54.682 54.840 -0.008 0.000 0.807 83 L CB 1.103 42.957 42.059 -0.342 0.000 1.177 83 L HN 0.761 nan 8.230 nan 0.000 0.429 84 N N 4.734 123.427 118.700 -0.011 0.000 2.936 84 N HA 0.047 4.787 4.740 -0.000 0.000 0.243 84 N C 0.702 176.195 175.510 -0.028 0.000 1.149 84 N CA -0.352 52.694 53.050 -0.007 0.000 0.914 84 N CB 0.454 38.947 38.487 0.009 0.000 1.179 84 N HN 0.771 nan 8.380 nan 0.000 0.502 85 L N 2.627 123.828 121.223 -0.037 0.000 2.042 85 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 85 L C 1.271 178.136 176.870 -0.008 0.000 1.076 85 L CA 1.906 56.727 54.840 -0.031 0.000 0.749 85 L CB -0.290 41.778 42.059 0.014 0.000 0.893 85 L HN 0.376 nan 8.230 nan 0.000 0.432 86 D N -0.487 119.913 120.400 0.000 0.000 2.104 86 D HA -0.226 4.414 4.640 -0.000 0.000 0.194 86 D C 2.185 178.483 176.300 -0.003 0.000 0.994 86 D CA 1.298 55.300 54.000 0.003 0.000 0.830 86 D CB -0.060 40.742 40.800 0.002 0.000 0.959 86 D HN 0.179 nan 8.370 nan 0.000 0.452 87 K N 0.362 120.759 120.400 -0.006 0.000 2.057 87 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 87 K C 2.045 178.638 176.600 -0.011 0.000 1.049 87 K CA 0.788 57.071 56.287 -0.006 0.000 0.931 87 K CB -0.365 32.134 32.500 -0.002 0.000 0.714 87 K HN 0.122 nan 8.250 nan 0.000 0.440 88 M N -0.688 118.898 119.600 -0.022 0.000 2.175 88 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 88 M C 1.487 177.767 176.300 -0.034 0.000 1.063 88 M CA 1.348 56.626 55.300 -0.036 0.000 1.119 88 M CB 0.046 32.599 32.600 -0.078 0.000 1.377 88 M HN 0.134 nan 8.290 nan 0.000 0.415 89 M N -0.310 119.277 119.600 -0.022 0.000 2.200 89 M HA -0.151 4.329 4.480 -0.000 0.000 0.265 89 M C 1.966 178.261 176.300 -0.009 0.000 1.066 89 M CA 1.494 56.789 55.300 -0.008 0.000 1.127 89 M CB -1.288 31.321 32.600 0.015 0.000 1.379 89 M HN 0.435 nan 8.290 nan 0.000 0.420 90 E N 0.038 120.233 120.200 -0.009 0.000 2.110 90 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 90 E C 2.061 178.654 176.600 -0.012 0.000 0.988 90 E CA 1.034 57.428 56.400 -0.009 0.000 0.804 90 E CB 0.047 29.742 29.700 -0.008 0.000 0.745 90 E HN 0.367 nan 8.360 nan 0.000 0.458 91 Q N 1.473 121.266 119.800 -0.012 0.000 2.084 91 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 91 Q C 2.101 178.092 176.000 -0.016 0.000 0.978 91 Q CA 1.757 57.553 55.803 -0.011 0.000 0.844 91 Q CB -0.233 28.503 28.738 -0.004 0.000 0.898 91 Q HN 0.222 nan 8.270 nan 0.000 0.426 92 K N 0.143 120.531 120.400 -0.020 0.000 2.009 92 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 92 K C 2.131 178.715 176.600 -0.026 0.000 1.049 92 K CA 1.971 58.242 56.287 -0.026 0.000 0.929 92 K CB -0.223 32.259 32.500 -0.029 0.000 0.714 92 K HN 0.276 nan 8.250 nan 0.000 0.440 93 S N -0.247 115.440 115.700 -0.021 0.000 2.402 93 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 93 S C 1.986 176.570 174.600 -0.027 0.000 1.021 93 S CA 1.580 59.767 58.200 -0.023 0.000 0.974 93 S CB -0.587 62.603 63.200 -0.016 0.000 0.800 93 S HN 0.331 nan 8.310 nan 0.000 0.484 94 T N 2.472 117.011 114.554 -0.024 0.000 2.788 94 T HA 0.092 4.441 4.350 -0.000 0.000 0.268 94 T C 2.168 176.848 174.700 -0.033 0.000 1.044 94 T CA 1.329 63.413 62.100 -0.026 0.000 1.139 94 T CB -0.711 68.144 68.868 -0.022 0.000 0.867 94 T HN 0.635 nan 8.240 nan 0.000 0.454 95 A N 0.883 123.683 122.820 -0.033 0.000 1.873 95 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 95 A C 2.562 180.116 177.584 -0.050 0.000 1.186 95 A CA 1.349 53.363 52.037 -0.039 0.000 0.616 95 A CB -1.037 17.942 19.000 -0.036 0.000 0.823 95 A HN 0.337 nan 8.150 nan 0.000 0.442 96 V N 0.550 120.435 119.914 -0.050 0.000 2.287 96 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 96 V C 2.589 178.643 176.094 -0.067 0.000 1.053 96 V CA 2.548 64.813 62.300 -0.059 0.000 1.027 96 V CB -0.726 31.067 31.823 -0.050 0.000 0.646 96 V HN 0.737 nan 8.190 nan 0.000 0.447 97 K N 0.231 120.598 120.400 -0.056 0.000 2.103 97 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 97 K C 2.120 178.680 176.600 -0.067 0.000 1.048 97 K CA 1.583 57.835 56.287 -0.057 0.000 0.930 97 K CB -0.319 32.156 32.500 -0.043 0.000 0.716 97 K HN 0.435 nan 8.250 nan 0.000 0.444 98 A N 1.143 123.924 122.820 -0.064 0.000 1.898 98 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 98 A C 2.066 179.597 177.584 -0.089 0.000 1.181 98 A CA 1.118 53.113 52.037 -0.070 0.000 0.620 98 A CB -0.501 18.464 19.000 -0.059 0.000 0.819 98 A HN 0.325 nan 8.150 nan 0.000 0.442 99 L N 0.131 121.297 121.223 -0.095 0.000 2.217 99 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 99 L C 2.935 179.701 176.870 -0.174 0.000 1.107 99 L CA 1.616 56.382 54.840 -0.123 0.000 0.783 99 L CB -0.714 41.278 42.059 -0.112 0.000 0.919 99 L HN 0.692 nan 8.230 nan 0.000 0.442 100 T N -3.587 110.873 114.554 -0.157 0.000 2.770 100 T HA -0.069 4.281 4.350 -0.000 0.000 0.263 100 T C 1.980 176.567 174.700 -0.190 0.000 1.039 100 T CA 0.905 62.890 62.100 -0.192 0.000 1.142 100 T CB -0.843 67.940 68.868 -0.142 0.000 0.868 100 T HN 0.329 nan 8.240 nan 0.000 0.435 101 G N 1.145 109.867 108.800 -0.130 0.000 2.450 101 G HA2 0.062 4.022 3.960 -0.000 0.000 0.220 101 G HA3 0.062 4.022 3.960 -0.000 0.000 0.220 101 G C 1.657 176.495 174.900 -0.102 0.000 1.130 101 G CA 0.708 45.748 45.100 -0.099 0.000 0.760 101 G HN 0.677 nan 8.290 nan 0.000 0.557 102 G N 1.245 109.966 108.800 -0.132 0.000 2.421 102 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 102 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 102 G C 1.662 176.458 174.900 -0.172 0.000 1.171 102 G CA 0.888 45.918 45.100 -0.117 0.000 0.775 102 G HN 0.321 nan 8.290 nan 0.000 0.543 103 I N 1.996 122.356 120.570 -0.351 0.000 2.163 103 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 103 I C 3.299 179.075 176.117 -0.568 0.000 1.085 103 I CA 1.260 62.195 61.300 -0.607 0.000 1.347 103 I CB -1.480 35.986 38.000 -0.890 0.000 1.044 103 I HN 0.263 nan 8.210 nan 0.000 0.408 104 A N 0.675 123.260 122.820 -0.392 0.000 1.859 104 A HA -0.340 3.980 4.320 -0.000 0.000 0.218 104 A C 2.326 179.880 177.584 -0.050 0.000 1.209 104 A CA 2.495 54.399 52.037 -0.222 0.000 0.639 104 A CB -1.474 17.463 19.000 -0.104 0.000 0.835 104 A HN 0.552 nan 8.150 nan 0.000 0.450 105 H N -0.274 118.743 119.070 -0.088 0.000 2.394 105 H HA -0.093 4.463 4.556 -0.000 0.000 0.297 105 H C 1.743 177.080 175.328 0.016 0.000 1.113 105 H CA 2.052 58.086 56.048 -0.023 0.000 1.277 105 H CB -0.276 29.465 29.762 -0.035 0.000 1.370 105 H HN 0.384 nan 8.280 nan 0.000 0.506 106 L N -1.034 120.213 121.223 0.040 0.000 2.201 106 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 106 L C 1.862 178.856 176.870 0.207 0.000 1.105 106 L CA 0.411 55.297 54.840 0.076 0.000 0.775 106 L CB -0.318 41.788 42.059 0.078 0.000 0.913 106 L HN 0.290 nan 8.230 nan 0.000 0.440 107 F N 0.463 120.399 119.950 -0.024 0.000 2.128 107 F HA -0.138 4.389 4.527 -0.000 0.000 0.295 107 F C 2.528 178.306 175.800 -0.036 0.000 1.100 107 F CA 0.987 58.981 58.000 -0.010 0.000 1.260 107 F CB -0.715 38.281 39.000 -0.006 0.000 1.009 107 F HN -0.080 nan 8.300 nan 0.000 0.476 108 K N 0.619 121.093 120.400 0.124 0.000 2.009 108 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 108 K C 2.177 178.746 176.600 -0.053 0.000 1.049 108 K CA 1.650 57.940 56.287 0.004 0.000 0.929 108 K CB -0.617 31.834 32.500 -0.081 0.000 0.714 108 K HN 0.250 nan 8.250 nan 0.000 0.440 109 Q N 0.165 119.885 119.800 -0.135 0.000 2.077 109 Q HA -0.157 4.183 4.340 -0.000 0.000 0.206 109 Q C 0.965 176.953 176.000 -0.020 0.000 0.989 109 Q CA 1.748 57.485 55.803 -0.110 0.000 0.853 109 Q CB -0.070 28.590 28.738 -0.130 0.000 0.907 109 Q HN 0.351 nan 8.270 nan 0.000 0.418 110 N N 0.339 119.056 118.700 0.028 0.000 2.370 110 N HA 0.001 4.741 4.740 -0.000 0.000 0.198 110 N C -0.543 174.972 175.510 0.009 0.000 1.156 110 N CA 0.206 53.276 53.050 0.032 0.000 0.839 110 N CB 0.377 38.906 38.487 0.069 0.000 0.989 110 N HN 0.175 nan 8.380 nan 0.000 0.468 111 K N 0.115 120.517 120.400 0.003 0.000 3.077 111 K HA -0.138 4.181 4.320 -0.000 0.000 0.264 111 K C -0.914 175.661 176.600 -0.042 0.000 1.008 111 K CA 0.186 56.467 56.287 -0.010 0.000 0.740 111 K CB -1.309 31.185 32.500 -0.009 0.000 1.273 111 K HN -0.027 nan 8.250 nan 0.000 0.477 112 V N 1.579 121.439 119.914 -0.090 0.000 2.385 112 V HA 0.158 4.278 4.120 -0.000 0.000 0.269 112 V C 0.624 176.590 176.094 -0.215 0.000 1.043 112 V CA -0.787 61.364 62.300 -0.247 0.000 0.906 112 V CB 1.532 33.002 31.823 -0.588 0.000 0.995 112 V HN 0.043 nan 8.190 nan 0.000 0.467 113 V N 5.036 124.871 119.914 -0.132 0.000 2.555 113 V HA 0.152 4.272 4.120 -0.000 0.000 0.286 113 V C 0.057 176.154 176.094 0.005 0.000 1.044 113 V CA -0.287 61.991 62.300 -0.037 0.000 1.026 113 V CB 0.810 32.620 31.823 -0.022 0.000 0.981 113 V HN 0.941 nan 8.190 nan 0.000 0.480 114 H N 4.559 123.627 119.070 -0.003 0.000 2.541 114 H HA 0.599 5.155 4.556 -0.000 0.000 0.316 114 H C -0.968 174.393 175.328 0.055 0.000 1.043 114 H CA -0.651 55.438 56.048 0.067 0.000 1.232 114 H CB 1.397 31.285 29.762 0.210 0.000 1.406 114 H HN 0.358 nan 8.280 nan 0.000 0.469 115 V N 5.614 125.479 119.914 -0.082 0.000 2.398 115 V HA 0.159 4.279 4.120 -0.000 0.000 0.286 115 V C 0.168 176.146 176.094 -0.194 0.000 1.026 115 V CA -1.023 61.170 62.300 -0.179 0.000 0.868 115 V CB 1.089 32.889 31.823 -0.038 0.000 0.982 115 V HN 0.872 nan 8.190 nan 0.000 0.443 116 N N 3.677 122.227 118.700 -0.250 0.000 2.521 116 N HA 0.622 5.362 4.740 -0.000 0.000 0.236 116 N C -0.143 175.375 175.510 0.013 0.000 1.067 116 N CA 0.499 53.501 53.050 -0.079 0.000 0.939 116 N CB 0.729 39.165 38.487 -0.085 0.000 1.201 116 N HN 1.015 nan 8.380 nan 0.000 0.511 117 G N 1.491 110.328 108.800 0.062 0.000 2.356 117 G HA2 0.121 4.081 3.960 -0.000 0.000 0.294 117 G HA3 0.121 4.081 3.960 -0.000 0.000 0.294 117 G C -2.174 172.804 174.900 0.129 0.000 1.423 117 G CA -0.897 44.261 45.100 0.096 0.000 0.806 117 G HN 0.290 nan 8.290 nan 0.000 0.527 118 Y N 1.437 121.772 120.300 0.057 0.000 2.486 118 Y HA 0.495 5.045 4.550 -0.000 0.000 0.348 118 Y C 0.939 176.874 175.900 0.059 0.000 1.000 118 Y CA 0.482 58.625 58.100 0.072 0.000 1.253 118 Y CB 0.832 39.335 38.460 0.072 0.000 1.140 118 Y HN 0.661 nan 8.280 nan 0.000 0.526 119 G N 5.962 114.834 108.800 0.121 0.000 2.353 119 G HA2 0.348 4.308 3.960 -0.000 0.000 0.284 119 G HA3 0.348 4.308 3.960 -0.000 0.000 0.284 119 G C -1.229 173.776 174.900 0.174 0.000 1.172 119 G CA -0.771 44.404 45.100 0.125 0.000 0.854 119 G HN 0.608 nan 8.290 nan 0.000 0.485 120 K N 2.843 123.331 120.400 0.146 0.000 2.426 120 K HA 0.366 4.686 4.320 -0.000 0.000 0.254 120 K C -0.063 176.576 176.600 0.066 0.000 0.936 120 K CA -0.847 55.512 56.287 0.119 0.000 0.801 120 K CB 1.310 33.876 32.500 0.109 0.000 1.139 120 K HN 0.410 nan 8.250 nan 0.000 0.424 121 I N 4.760 125.360 120.570 0.050 0.000 2.573 121 I HA -0.035 4.135 4.170 -0.000 0.000 0.295 121 I C 0.567 176.698 176.117 0.023 0.000 1.141 121 I CA 0.282 61.600 61.300 0.031 0.000 1.364 121 I CB -0.017 37.996 38.000 0.021 0.000 1.447 121 I HN 0.587 nan 8.210 nan 0.000 0.571 122 T N 2.432 116.999 114.554 0.022 0.000 3.629 122 T HA 0.589 4.939 4.350 -0.000 0.000 0.317 122 T C 0.349 175.055 174.700 0.010 0.000 1.690 122 T CA -0.462 61.647 62.100 0.015 0.000 1.276 122 T CB 0.176 69.055 68.868 0.017 0.000 1.205 122 T HN 0.966 nan 8.240 nan 0.000 0.824 123 G N 1.743 110.547 108.800 0.006 0.000 2.697 123 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.684 123 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.684 123 G C 0.246 175.146 174.900 0.001 0.000 1.274 123 G CA -0.729 44.372 45.100 0.003 0.000 0.806 123 G HN 0.270 nan 8.290 nan 0.000 0.644 124 K N 0.089 120.487 120.400 -0.004 0.000 2.189 124 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 124 K C 1.246 177.843 176.600 -0.004 0.000 1.046 124 K CA 2.073 58.354 56.287 -0.009 0.000 0.928 124 K CB -0.054 32.438 32.500 -0.013 0.000 0.720 124 K HN 0.462 nan 8.250 nan 0.000 0.458 125 N N -0.121 118.579 118.700 0.001 0.000 2.433 125 N HA 0.065 4.804 4.740 -0.000 0.000 0.270 125 N C -1.252 174.263 175.510 0.007 0.000 1.354 125 N CA -0.141 52.912 53.050 0.005 0.000 0.889 125 N CB 1.122 39.613 38.487 0.006 0.000 1.285 125 N HN 0.060 nan 8.380 nan 0.000 0.503 126 Q N 0.659 120.464 119.800 0.008 0.000 2.309 126 Q HA 0.549 4.889 4.340 -0.000 0.000 0.273 126 Q C -1.932 174.077 176.000 0.015 0.000 1.040 126 Q CA -0.646 55.163 55.803 0.011 0.000 0.834 126 Q CB 2.229 30.973 28.738 0.010 0.000 1.345 126 Q HN -0.045 nan 8.270 nan 0.000 0.414 127 V N 2.200 122.125 119.914 0.018 0.000 2.638 127 V HA 0.576 4.696 4.120 -0.000 0.000 0.306 127 V C -0.845 175.266 176.094 0.029 0.000 1.052 127 V CA -0.473 61.843 62.300 0.025 0.000 0.885 127 V CB 2.320 34.158 31.823 0.025 0.000 0.999 127 V HN 0.865 nan 8.190 nan 0.000 0.424 128 T N 3.831 118.409 114.554 0.040 0.000 2.812 128 T HA 0.755 5.105 4.350 -0.000 0.000 0.282 128 T C -0.194 174.545 174.700 0.065 0.000 0.990 128 T CA -0.327 61.798 62.100 0.042 0.000 0.960 128 T CB 1.653 70.542 68.868 0.035 0.000 0.948 128 T HN 0.929 nan 8.240 nan 0.000 0.438 129 A N 2.767 125.623 122.820 0.061 0.000 2.324 129 A HA 0.812 5.132 4.320 -0.000 0.000 0.330 129 A C -0.012 177.618 177.584 0.076 0.000 1.165 129 A CA -0.737 51.351 52.037 0.085 0.000 0.813 129 A CB 0.804 19.843 19.000 0.065 0.000 1.197 129 A HN 0.706 nan 8.150 nan 0.000 0.484 130 T N 2.721 117.339 114.554 0.106 0.000 2.840 130 T HA 0.373 4.723 4.350 -0.000 0.000 0.287 130 T C 0.036 174.787 174.700 0.085 0.000 0.991 130 T CA -0.633 61.513 62.100 0.076 0.000 0.964 130 T CB 1.233 70.136 68.868 0.058 0.000 0.954 130 T HN 0.687 nan 8.240 nan 0.000 0.438 131 K N 1.044 121.476 120.400 0.054 0.000 2.386 131 K HA 0.579 4.899 4.320 -0.000 0.000 0.249 131 K C 1.677 178.305 176.600 0.047 0.000 1.055 131 K CA -0.494 55.824 56.287 0.050 0.000 0.930 131 K CB 0.243 32.760 32.500 0.028 0.000 1.230 131 K HN 0.554 nan 8.250 nan 0.000 0.507 132 A N 1.526 124.370 122.820 0.040 0.000 1.840 132 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 132 A C 1.764 179.361 177.584 0.022 0.000 1.198 132 A CA 1.900 53.957 52.037 0.034 0.000 0.608 132 A CB -0.817 18.202 19.000 0.032 0.000 0.839 132 A HN 0.947 nan 8.150 nan 0.000 0.443 133 D N -1.301 119.110 120.400 0.018 0.000 2.239 133 D HA -0.001 4.639 4.640 -0.000 0.000 0.202 133 D C 1.297 177.603 176.300 0.011 0.000 0.993 133 D CA 2.046 56.054 54.000 0.012 0.000 0.874 133 D CB -0.557 40.249 40.800 0.010 0.000 0.922 133 D HN 0.999 nan 8.370 nan 0.000 0.464 134 G N -0.486 108.322 108.800 0.013 0.000 2.336 134 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.194 134 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.194 134 G C 0.719 175.626 174.900 0.012 0.000 0.999 134 G CA 0.311 45.417 45.100 0.010 0.000 0.669 134 G HN 0.757 nan 8.290 nan 0.000 0.482 135 G N -0.502 108.305 108.800 0.012 0.000 2.785 135 G HA2 0.507 4.467 3.960 -0.000 0.000 0.256 135 G HA3 0.507 4.467 3.960 -0.000 0.000 0.256 135 G C 0.138 175.047 174.900 0.015 0.000 1.248 135 G CA 1.491 46.597 45.100 0.011 0.000 0.914 135 G HN 1.318 nan 8.290 nan 0.000 0.580 136 T N -1.649 112.912 114.554 0.013 0.000 2.885 136 T HA 0.496 4.846 4.350 -0.000 0.000 0.322 136 T C -1.497 173.210 174.700 0.012 0.000 1.387 136 T CA -0.572 61.538 62.100 0.017 0.000 1.041 136 T CB 2.041 70.919 68.868 0.018 0.000 1.287 136 T HN 0.709 nan 8.240 nan 0.000 0.491 137 Q N 2.441 122.250 119.800 0.015 0.000 2.321 137 Q HA 0.665 5.005 4.340 -0.000 0.000 0.270 137 Q C -1.617 174.391 176.000 0.014 0.000 1.032 137 Q CA -0.581 55.228 55.803 0.009 0.000 0.784 137 Q CB 1.840 30.579 28.738 0.002 0.000 1.264 137 Q HN 0.591 nan 8.270 nan 0.000 0.448 138 V N 5.085 125.005 119.914 0.010 0.000 2.439 138 V HA 0.541 4.660 4.120 -0.000 0.000 0.282 138 V C -0.415 175.685 176.094 0.010 0.000 1.039 138 V CA -0.579 61.728 62.300 0.012 0.000 0.913 138 V CB 1.083 32.912 31.823 0.010 0.000 0.983 138 V HN 0.697 nan 8.190 nan 0.000 0.460 139 I N 3.660 124.237 120.570 0.011 0.000 2.448 139 I HA 0.368 4.538 4.170 -0.000 0.000 0.281 139 I C -0.313 175.809 176.117 0.009 0.000 1.027 139 I CA -0.119 61.187 61.300 0.009 0.000 1.111 139 I CB 1.569 39.574 38.000 0.009 0.000 1.236 139 I HN 0.494 nan 8.210 nan 0.000 0.452 140 D N 5.479 125.884 120.400 0.008 0.000 2.280 140 D HA 0.529 5.169 4.640 -0.000 0.000 0.243 140 D C -0.212 176.093 176.300 0.008 0.000 1.129 140 D CA 0.221 54.226 54.000 0.008 0.000 0.848 140 D CB 1.715 42.520 40.800 0.009 0.000 1.107 140 D HN 0.594 nan 8.370 nan 0.000 0.471 141 T N -1.124 113.434 114.554 0.007 0.000 2.900 141 T HA 0.327 4.677 4.350 -0.000 0.000 0.303 141 T C 0.816 175.521 174.700 0.008 0.000 1.142 141 T CA -0.901 61.202 62.100 0.005 0.000 1.007 141 T CB 2.241 71.106 68.868 -0.004 0.000 1.156 141 T HN 0.095 nan 8.240 nan 0.000 0.490 142 K N 0.836 121.242 120.400 0.011 0.000 2.155 142 K HA 0.119 4.439 4.320 -0.000 0.000 0.203 142 K C 0.475 177.087 176.600 0.020 0.000 1.052 142 K CA 0.607 56.905 56.287 0.019 0.000 0.948 142 K CB 0.043 32.562 32.500 0.032 0.000 0.728 142 K HN 0.452 nan 8.250 nan 0.000 0.448 143 N N 0.376 119.079 118.700 0.005 0.000 2.240 143 N HA 0.400 5.140 4.740 -0.000 0.000 0.302 143 N C -1.160 174.366 175.510 0.027 0.000 1.106 143 N CA -0.491 52.582 53.050 0.038 0.000 0.778 143 N CB 2.353 40.844 38.487 0.007 0.000 1.431 143 N HN -0.097 nan 8.380 nan 0.000 0.479 144 I N 1.811 122.430 120.570 0.080 0.000 2.478 144 I HA 0.266 4.436 4.170 -0.000 0.000 0.287 144 I C -1.057 175.132 176.117 0.119 0.000 1.042 144 I CA -0.802 60.534 61.300 0.060 0.000 1.067 144 I CB 2.212 40.235 38.000 0.039 0.000 1.233 144 I HN 0.180 nan 8.210 nan 0.000 0.431 145 L N 8.871 130.134 121.223 0.067 0.000 2.294 145 L HA 0.571 4.911 4.340 -0.000 0.000 0.283 145 L C -0.393 176.509 176.870 0.053 0.000 1.015 145 L CA -0.355 54.530 54.840 0.075 0.000 0.831 145 L CB 1.063 43.112 42.059 -0.018 0.000 1.217 145 L HN 0.440 nan 8.230 nan 0.000 0.420 146 I N 2.934 123.548 120.570 0.073 0.000 2.304 146 I HA 0.760 4.930 4.170 -0.000 0.000 0.291 146 I C 0.014 176.163 176.117 0.054 0.000 1.018 146 I CA -0.468 60.865 61.300 0.055 0.000 1.260 146 I CB 1.500 39.532 38.000 0.052 0.000 1.390 146 I HN 0.734 nan 8.210 nan 0.000 0.475 147 A N 3.777 126.623 122.820 0.043 0.000 3.297 147 A HA 0.363 4.683 4.320 -0.000 0.000 0.304 147 A C 0.906 178.523 177.584 0.055 0.000 0.963 147 A CA -0.246 51.816 52.037 0.041 0.000 0.935 147 A CB -0.255 18.757 19.000 0.019 0.000 1.093 147 A HN 0.829 nan 8.150 nan 0.000 0.480 148 T N -2.569 112.028 114.554 0.073 0.000 3.148 148 T HA 0.403 4.753 4.350 -0.000 0.000 0.253 148 T C 1.453 176.244 174.700 0.151 0.000 1.134 148 T CA 1.038 63.205 62.100 0.112 0.000 1.051 148 T CB -0.294 68.651 68.868 0.129 0.000 0.959 148 T HN 1.989 nan 8.240 nan 0.000 0.525 149 G N 1.867 110.732 108.800 0.108 0.000 2.574 149 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.286 149 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.286 149 G C 0.120 175.102 174.900 0.135 0.000 1.212 149 G CA 0.596 45.754 45.100 0.096 0.000 0.979 149 G HN 1.566 nan 8.290 nan 0.000 0.557 150 S N -0.612 115.149 115.700 0.101 0.000 2.806 150 S HA 0.831 5.301 4.470 -0.000 0.000 0.306 150 S C -0.611 174.022 174.600 0.054 0.000 1.167 150 S CA 0.422 58.692 58.200 0.117 0.000 0.847 150 S CB 2.431 65.678 63.200 0.079 0.000 1.216 150 S HN 1.809 nan 8.310 nan 0.000 0.532 151 E N -0.616 119.627 120.200 0.072 0.000 2.433 151 E HA 0.616 4.966 4.350 -0.000 0.000 0.278 151 E C -1.462 175.167 176.600 0.048 0.000 0.976 151 E CA -1.275 55.134 56.400 0.016 0.000 0.793 151 E CB 1.420 31.140 29.700 0.033 0.000 1.311 151 E HN 0.412 nan 8.360 nan 0.000 0.460 152 V N 1.518 121.452 119.914 0.033 0.000 2.673 152 V HA 0.077 4.197 4.120 -0.000 0.000 0.303 152 V C 0.152 176.286 176.094 0.067 0.000 1.046 152 V CA 0.272 62.602 62.300 0.050 0.000 1.126 152 V CB 1.037 32.885 31.823 0.043 0.000 0.934 152 V HN 0.716 nan 8.190 nan 0.000 0.487 153 T N 7.927 122.524 114.554 0.072 0.000 2.737 153 T HA 0.258 4.608 4.350 -0.000 0.000 0.296 153 T C -2.016 172.734 174.700 0.083 0.000 0.922 153 T CA -0.620 61.522 62.100 0.070 0.000 1.079 153 T CB 0.797 69.701 68.868 0.061 0.000 0.892 153 T HN 0.605 nan 8.240 nan 0.000 0.514 154 P HA 0.232 nan 4.420 nan 0.000 0.272 154 P C -0.779 176.590 177.300 0.114 0.000 1.230 154 P CA -0.582 62.577 63.100 0.098 0.000 0.788 154 P CB 0.651 32.396 31.700 0.075 0.000 0.949 155 F N 2.889 122.850 119.950 0.018 0.000 2.410 155 F HA 0.414 4.941 4.527 -0.000 0.000 0.349 155 F C -2.138 173.669 175.800 0.013 0.000 1.117 155 F CA -2.773 55.236 58.000 0.016 0.000 1.104 155 F CB 0.865 39.877 39.000 0.019 0.000 1.122 155 F HN 0.140 nan 8.300 nan 0.000 0.483 156 P HA 0.245 nan 4.420 nan 0.000 0.266 156 P C 0.385 177.728 177.300 0.071 0.000 1.215 156 P CA 1.058 64.082 63.100 -0.127 0.000 0.763 156 P CB 0.622 32.170 31.700 -0.254 0.000 0.806 157 G N 3.052 111.919 108.800 0.111 0.000 2.234 157 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.235 157 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.235 157 G C 0.058 175.052 174.900 0.156 0.000 0.997 157 G CA -0.380 44.800 45.100 0.135 0.000 0.623 157 G HN 0.495 nan 8.290 nan 0.000 0.514 158 I N 2.008 122.715 120.570 0.228 0.000 2.406 158 I HA 0.446 4.616 4.170 -0.000 0.000 0.290 158 I C -0.279 175.904 176.117 0.111 0.000 0.999 158 I CA -0.655 60.728 61.300 0.139 0.000 1.124 158 I CB 2.140 40.195 38.000 0.091 0.000 1.289 158 I HN -0.023 nan 8.210 nan 0.000 0.441 159 T N 6.932 121.521 114.554 0.059 0.000 2.749 159 T HA 0.504 4.854 4.350 -0.000 0.000 0.287 159 T C 0.091 174.806 174.700 0.026 0.000 0.970 159 T CA -0.324 61.803 62.100 0.045 0.000 0.980 159 T CB 0.776 69.663 68.868 0.032 0.000 0.924 159 T HN 0.267 nan 8.240 nan 0.000 0.456 160 I N 4.041 124.629 120.570 0.030 0.000 2.452 160 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 160 I C 0.861 176.981 176.117 0.004 0.000 1.079 160 I CA -0.075 61.232 61.300 0.013 0.000 1.387 160 I CB 0.776 38.788 38.000 0.021 0.000 1.404 160 I HN 0.719 nan 8.210 nan 0.000 0.522 161 D N 4.597 124.991 120.400 -0.009 0.000 2.469 161 D HA -0.030 4.610 4.640 -0.000 0.000 0.213 161 D C 0.314 176.602 176.300 -0.019 0.000 1.135 161 D CA -0.086 53.907 54.000 -0.012 0.000 0.834 161 D CB 0.222 41.013 40.800 -0.015 0.000 1.009 161 D HN 0.386 nan 8.370 nan 0.000 0.507 162 E N 0.113 120.297 120.200 -0.025 0.000 2.637 162 E HA -0.208 4.142 4.350 -0.000 0.000 0.265 162 E C -0.036 176.537 176.600 -0.045 0.000 1.073 162 E CA 1.131 57.512 56.400 -0.033 0.000 0.778 162 E CB -1.485 28.203 29.700 -0.021 0.000 1.362 162 E HN 0.594 nan 8.360 nan 0.000 0.413 163 D N -1.069 119.299 120.400 -0.053 0.000 3.028 163 D HA 0.118 4.758 4.640 -0.000 0.000 0.205 163 D C 1.562 177.811 176.300 -0.084 0.000 1.489 163 D CA 1.777 55.740 54.000 -0.062 0.000 1.452 163 D CB -0.196 40.576 40.800 -0.048 0.000 1.052 163 D HN 0.122 nan 8.370 nan 0.000 0.221 164 T N -1.038 113.470 114.554 -0.077 0.000 3.037 164 T HA 0.343 4.693 4.350 -0.000 0.000 0.252 164 T C 1.194 175.839 174.700 -0.093 0.000 1.073 164 T CA 0.084 62.129 62.100 -0.092 0.000 1.091 164 T CB 0.504 69.325 68.868 -0.078 0.000 0.935 164 T HN 0.123 nan 8.240 nan 0.000 0.488 165 I N 3.488 124.014 120.570 -0.072 0.000 2.390 165 I HA 0.488 4.658 4.170 -0.000 0.000 0.283 165 I C -0.395 175.689 176.117 -0.055 0.000 1.016 165 I CA -1.226 60.034 61.300 -0.066 0.000 1.151 165 I CB 1.668 39.638 38.000 -0.050 0.000 1.293 165 I HN 0.104 nan 8.210 nan 0.000 0.458 166 V N 2.682 122.557 119.914 -0.065 0.000 3.019 166 V HA 0.792 4.912 4.120 -0.000 0.000 0.317 166 V C 0.152 176.232 176.094 -0.025 0.000 1.094 166 V CA -0.459 61.812 62.300 -0.048 0.000 1.000 166 V CB 1.773 33.554 31.823 -0.070 0.000 1.060 166 V HN 0.690 nan 8.190 nan 0.000 0.443 167 S N 0.704 116.400 115.700 -0.006 0.000 2.745 167 S HA 0.405 4.875 4.470 -0.000 0.000 0.292 167 S C 1.416 176.030 174.600 0.022 0.000 1.127 167 S CA 0.120 58.330 58.200 0.015 0.000 1.007 167 S CB 1.038 64.251 63.200 0.022 0.000 1.165 167 S HN 1.875 nan 8.310 nan 0.000 0.544 168 S N 0.383 116.107 115.700 0.041 0.000 2.387 168 S HA -0.172 4.298 4.470 -0.000 0.000 0.230 168 S C 1.736 176.366 174.600 0.049 0.000 1.035 168 S CA 1.922 60.156 58.200 0.057 0.000 1.014 168 S CB -1.847 61.390 63.200 0.062 0.000 0.836 168 S HN 0.794 nan 8.310 nan 0.000 0.466 169 T N 1.935 116.506 114.554 0.029 0.000 2.720 169 T HA 0.000 4.350 4.350 -0.000 0.000 0.268 169 T C 2.017 176.729 174.700 0.021 0.000 1.037 169 T CA 1.537 63.649 62.100 0.020 0.000 1.144 169 T CB -1.087 67.784 68.868 0.004 0.000 0.864 169 T HN 0.668 nan 8.240 nan 0.000 0.444 170 G N 0.763 109.567 108.800 0.008 0.000 2.403 170 G HA2 0.074 4.034 3.960 -0.000 0.000 0.216 170 G HA3 0.074 4.034 3.960 -0.000 0.000 0.216 170 G C 1.806 176.701 174.900 -0.009 0.000 1.154 170 G CA 0.715 45.809 45.100 -0.011 0.000 0.784 170 G HN 0.570 nan 8.290 nan 0.000 0.538 171 A N 0.491 123.319 122.820 0.014 0.000 2.019 171 A HA 0.153 4.473 4.320 -0.000 0.000 0.219 171 A C 2.265 180.011 177.584 0.270 0.000 1.164 171 A CA 0.860 52.931 52.037 0.057 0.000 0.644 171 A CB -0.282 18.780 19.000 0.103 0.000 0.805 171 A HN 0.360 nan 8.150 nan 0.000 0.449 172 L N -0.831 120.505 121.223 0.188 0.000 2.478 172 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 172 L C 1.096 178.069 176.870 0.173 0.000 1.140 172 L CA 0.670 55.622 54.840 0.186 0.000 0.842 172 L CB 0.172 42.285 42.059 0.090 0.000 0.953 172 L HN 0.238 nan 8.230 nan 0.000 0.452 173 S N -0.394 115.389 115.700 0.138 0.000 2.855 173 S HA 0.317 4.787 4.470 -0.000 0.000 0.249 173 S C 0.400 175.044 174.600 0.073 0.000 1.033 173 S CA -0.499 57.759 58.200 0.098 0.000 1.038 173 S CB 0.311 63.536 63.200 0.042 0.000 0.960 173 S HN 0.094 nan 8.310 nan 0.000 0.548 174 L N 1.632 122.898 121.223 0.071 0.000 2.543 174 L HA 0.060 4.400 4.340 -0.000 0.000 0.285 174 L C 1.321 178.183 176.870 -0.012 0.000 1.236 174 L CA 0.031 54.802 54.840 -0.114 0.000 0.871 174 L CB 0.323 42.039 42.059 -0.571 0.000 1.121 174 L HN 0.035 nan 8.230 nan 0.000 0.501 175 K N 1.730 122.093 120.400 -0.061 0.000 2.400 175 K HA 0.042 4.362 4.320 -0.000 0.000 0.194 175 K C -0.264 176.325 176.600 -0.018 0.000 1.033 175 K CA 0.543 56.817 56.287 -0.021 0.000 1.021 175 K CB 0.134 32.614 32.500 -0.033 0.000 0.808 175 K HN 0.576 nan 8.250 nan 0.000 0.505 176 K N -2.587 117.777 120.400 -0.060 0.000 2.579 176 K HA 0.321 4.641 4.320 -0.000 0.000 0.284 176 K C -1.167 175.389 176.600 -0.074 0.000 0.990 176 K CA -0.970 55.296 56.287 -0.034 0.000 0.880 176 K CB 1.370 33.840 32.500 -0.050 0.000 1.488 176 K HN -0.316 nan 8.250 nan 0.000 0.425 177 V N 3.127 123.047 119.914 0.010 0.000 2.439 177 V HA 0.234 4.354 4.120 -0.000 0.000 0.271 177 V C -1.757 174.284 176.094 -0.088 0.000 1.040 177 V CA -1.106 61.215 62.300 0.034 0.000 1.002 177 V CB 0.349 32.231 31.823 0.099 0.000 1.000 177 V HN 0.732 nan 8.190 nan 0.000 0.477 178 P HA 0.116 nan 4.420 nan 0.000 0.271 178 P C 0.571 177.807 177.300 -0.106 0.000 1.216 178 P CA -0.179 62.813 63.100 -0.179 0.000 0.776 178 P CB 1.336 32.873 31.700 -0.272 0.000 0.881 179 E N 2.249 122.398 120.200 -0.085 0.000 2.106 179 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 179 E C 0.310 176.870 176.600 -0.066 0.000 0.984 179 E CA 1.032 57.397 56.400 -0.059 0.000 0.806 179 E CB 0.232 29.903 29.700 -0.048 0.000 0.750 179 E HN 0.370 nan 8.360 nan 0.000 0.458 180 K N 0.020 120.367 120.400 -0.087 0.000 2.498 180 K HA 0.368 4.688 4.320 -0.000 0.000 0.254 180 K C -1.586 174.943 176.600 -0.119 0.000 0.933 180 K CA -0.636 55.596 56.287 -0.090 0.000 0.806 180 K CB 1.749 34.206 32.500 -0.071 0.000 1.301 180 K HN 0.011 nan 8.250 nan 0.000 0.432 181 M N 4.159 123.683 119.600 -0.127 0.000 2.386 181 M HA 0.423 4.903 4.480 -0.000 0.000 0.293 181 M C -1.810 174.413 176.300 -0.128 0.000 1.120 181 M CA -0.871 54.340 55.300 -0.148 0.000 0.909 181 M CB 2.078 34.567 32.600 -0.186 0.000 1.661 181 M HN 0.379 nan 8.290 nan 0.000 0.452 182 V N 4.590 124.435 119.914 -0.115 0.000 2.459 182 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 182 V C -0.774 175.272 176.094 -0.081 0.000 1.029 182 V CA -0.692 61.553 62.300 -0.091 0.000 0.874 182 V CB 1.921 33.693 31.823 -0.085 0.000 0.985 182 V HN 0.674 nan 8.190 nan 0.000 0.438 183 V N 6.132 126.018 119.914 -0.046 0.000 2.417 183 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 183 V C -0.125 175.974 176.094 0.008 0.000 1.024 183 V CA -0.444 61.852 62.300 -0.006 0.000 0.861 183 V CB 1.803 33.660 31.823 0.057 0.000 0.985 183 V HN 0.669 nan 8.190 nan 0.000 0.436 184 I N 4.725 125.289 120.570 -0.011 0.000 2.291 184 I HA 0.652 4.822 4.170 -0.000 0.000 0.290 184 I C 0.733 176.893 176.117 0.072 0.000 1.050 184 I CA 0.108 61.403 61.300 -0.007 0.000 1.245 184 I CB 1.026 38.949 38.000 -0.128 0.000 1.405 184 I HN 0.892 nan 8.210 nan 0.000 0.478 185 G N 4.580 113.446 108.800 0.110 0.000 3.448 185 G HA2 0.088 4.048 3.960 -0.000 0.000 0.685 185 G HA3 0.088 4.048 3.960 -0.000 0.000 0.685 185 G C -0.278 174.713 174.900 0.152 0.000 1.151 185 G CA -0.377 44.803 45.100 0.134 0.000 1.023 185 G HN 0.873 nan 8.290 nan 0.000 0.499 186 A N 1.755 124.665 122.820 0.151 0.000 3.012 186 A HA 0.758 5.078 4.320 -0.000 0.000 0.295 186 A C 1.391 179.066 177.584 0.152 0.000 1.338 186 A CA 1.068 53.219 52.037 0.190 0.000 0.981 186 A CB -0.233 18.898 19.000 0.218 0.000 1.091 186 A HN 2.007 nan 8.150 nan 0.000 0.602 187 G N -1.220 107.675 108.800 0.158 0.000 2.525 187 G HA2 0.381 4.341 3.960 -0.000 0.000 0.287 187 G HA3 0.381 4.341 3.960 -0.000 0.000 0.287 187 G C 1.107 176.138 174.900 0.217 0.000 1.350 187 G CA 0.162 45.363 45.100 0.168 0.000 1.039 187 G HN 0.128 nan 8.290 nan 0.000 0.513 188 V N 0.219 120.269 119.914 0.227 0.000 2.220 188 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 188 V C 2.871 179.099 176.094 0.222 0.000 1.056 188 V CA 2.068 64.512 62.300 0.240 0.000 1.016 188 V CB -0.827 31.120 31.823 0.206 0.000 0.639 188 V HN 0.588 nan 8.190 nan 0.000 0.446 189 I N 0.470 121.149 120.570 0.182 0.000 2.194 189 I HA -0.229 3.941 4.170 -0.000 0.000 0.246 189 I C 2.557 178.783 176.117 0.182 0.000 1.093 189 I CA 1.861 63.259 61.300 0.162 0.000 1.355 189 I CB -0.935 37.142 38.000 0.128 0.000 1.046 189 I HN 0.459 nan 8.210 nan 0.000 0.413 190 G N 0.162 109.079 108.800 0.195 0.000 2.402 190 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 190 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 190 G C 1.696 176.782 174.900 0.310 0.000 1.162 190 G CA 0.726 45.957 45.100 0.218 0.000 0.777 190 G HN 0.248 nan 8.290 nan 0.000 0.539 191 V N 0.735 120.853 119.914 0.340 0.000 2.427 191 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 191 V C 2.679 179.037 176.094 0.440 0.000 1.051 191 V CA 2.090 64.656 62.300 0.443 0.000 1.048 191 V CB -0.397 31.640 31.823 0.358 0.000 0.666 191 V HN 0.471 nan 8.190 nan 0.000 0.456 192 E N 0.122 120.511 120.200 0.316 0.000 2.028 192 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 192 E C 2.277 178.979 176.600 0.170 0.000 0.988 192 E CA 1.237 57.782 56.400 0.242 0.000 0.799 192 E CB -0.209 29.611 29.700 0.200 0.000 0.755 192 E HN 0.473 nan 8.360 nan 0.000 0.447 193 L N 0.482 121.806 121.223 0.169 0.000 2.083 193 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 193 L C 2.586 179.553 176.870 0.162 0.000 1.083 193 L CA 1.208 56.142 54.840 0.157 0.000 0.752 193 L CB -0.691 41.484 42.059 0.193 0.000 0.899 193 L HN 0.252 nan 8.230 nan 0.000 0.433 194 G N -1.375 107.499 108.800 0.123 0.000 2.422 194 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 194 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 194 G C 1.806 176.482 174.900 -0.372 0.000 1.140 194 G CA 0.924 45.930 45.100 -0.157 0.000 0.775 194 G HN 0.326 nan 8.290 nan 0.000 0.545 195 S N -0.520 115.139 115.700 -0.069 0.000 2.387 195 S HA -0.060 4.410 4.470 -0.000 0.000 0.226 195 S C 2.512 177.046 174.600 -0.109 0.000 1.026 195 S CA 1.169 59.356 58.200 -0.022 0.000 0.972 195 S CB -0.215 63.118 63.200 0.221 0.000 0.814 195 S HN 0.112 nan 8.310 nan 0.000 0.477 196 V N 0.278 120.104 119.914 -0.146 0.000 2.255 196 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 196 V C 1.950 177.747 176.094 -0.496 0.000 1.051 196 V CA 2.067 64.159 62.300 -0.347 0.000 1.018 196 V CB -0.768 30.759 31.823 -0.494 0.000 0.641 196 V HN 0.680 nan 8.190 nan 0.000 0.445 197 W N -0.802 120.409 121.300 -0.149 0.000 2.436 197 W HA -0.079 4.581 4.660 -0.000 0.000 0.284 197 W C 2.609 179.009 176.519 -0.200 0.000 1.225 197 W CA 0.896 58.138 57.345 -0.173 0.000 1.271 197 W CB -0.317 29.038 29.460 -0.175 0.000 1.114 197 W HN 0.151 nan 8.180 nan 0.000 0.559 198 Q N 1.441 121.179 119.800 -0.104 0.000 2.084 198 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 198 Q C 1.952 177.890 176.000 -0.104 0.000 0.978 198 Q CA 1.636 57.343 55.803 -0.159 0.000 0.844 198 Q CB -0.232 28.317 28.738 -0.315 0.000 0.898 198 Q HN 0.327 nan 8.270 nan 0.000 0.426 199 R N -0.153 120.274 120.500 -0.122 0.000 2.096 199 R HA -0.011 4.329 4.340 -0.000 0.000 0.235 199 R C 2.363 178.652 176.300 -0.018 0.000 1.127 199 R CA 1.053 57.108 56.100 -0.075 0.000 0.968 199 R CB -0.221 30.043 30.300 -0.059 0.000 0.861 199 R HN 0.249 nan 8.270 nan 0.000 0.440 200 L N -0.408 120.730 121.223 -0.142 0.000 2.610 200 L HA 0.106 4.446 4.340 -0.000 0.000 0.232 200 L C 1.119 177.913 176.870 -0.127 0.000 1.149 200 L CA 0.674 55.358 54.840 -0.260 0.000 0.872 200 L CB 0.059 41.911 42.059 -0.345 0.000 0.992 200 L HN 0.577 nan 8.230 nan 0.000 0.447 201 G N -0.754 108.023 108.800 -0.037 0.000 2.229 201 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.189 201 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.189 201 G C 0.306 175.206 174.900 0.000 0.000 1.000 201 G CA -0.195 44.896 45.100 -0.015 0.000 0.663 201 G HN 0.401 nan 8.290 nan 0.000 0.493 202 A N 0.434 123.264 122.820 0.017 0.000 2.354 202 A HA 0.554 4.874 4.320 -0.000 0.000 0.269 202 A C 0.074 177.625 177.584 -0.055 0.000 1.109 202 A CA 0.430 52.461 52.037 -0.011 0.000 0.800 202 A CB 0.586 19.597 19.000 0.018 0.000 1.045 202 A HN 0.385 nan 8.150 nan 0.000 0.489 203 D N 2.220 122.582 120.400 -0.063 0.000 2.365 203 D HA 0.374 5.013 4.640 -0.000 0.000 0.237 203 D C -0.631 175.601 176.300 -0.113 0.000 1.190 203 D CA 0.183 54.140 54.000 -0.071 0.000 0.867 203 D CB 0.496 41.267 40.800 -0.049 0.000 1.050 203 D HN 0.115 nan 8.370 nan 0.000 0.491 204 V N 3.565 123.376 119.914 -0.172 0.000 2.581 204 V HA 0.582 4.702 4.120 -0.000 0.000 0.303 204 V C 0.332 176.304 176.094 -0.204 0.000 1.041 204 V CA -0.597 61.545 62.300 -0.263 0.000 0.907 204 V CB 2.093 33.588 31.823 -0.546 0.000 0.994 204 V HN 0.600 nan 8.190 nan 0.000 0.442 205 T N 3.107 117.574 114.554 -0.145 0.000 2.991 205 T HA 0.684 5.034 4.350 -0.000 0.000 0.303 205 T C -0.410 174.269 174.700 -0.036 0.000 1.015 205 T CA -0.334 61.723 62.100 -0.071 0.000 1.007 205 T CB 1.683 70.519 68.868 -0.053 0.000 1.034 205 T HN 0.961 nan 8.240 nan 0.000 0.446 206 A N 2.722 125.521 122.820 -0.035 0.000 2.292 206 A HA 0.785 5.105 4.320 -0.000 0.000 0.319 206 A C -0.354 177.257 177.584 0.045 0.000 1.206 206 A CA -0.605 51.447 52.037 0.026 0.000 0.835 206 A CB 0.672 19.698 19.000 0.044 0.000 1.164 206 A HN 0.688 nan 8.150 nan 0.000 0.505 207 V N 2.472 122.421 119.914 0.059 0.000 2.370 207 V HA 0.520 4.640 4.120 -0.000 0.000 0.283 207 V C -0.268 175.887 176.094 0.101 0.000 1.023 207 V CA -0.393 61.945 62.300 0.065 0.000 0.857 207 V CB 1.148 32.988 31.823 0.029 0.000 0.985 207 V HN 0.981 nan 8.190 nan 0.000 0.443 208 E N 2.861 123.124 120.200 0.106 0.000 2.234 208 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 208 E C -0.076 176.588 176.600 0.108 0.000 0.877 208 E CA -0.690 55.780 56.400 0.117 0.000 0.758 208 E CB 1.570 31.320 29.700 0.083 0.000 1.170 208 E HN 0.384 nan 8.360 nan 0.000 0.415 209 F N 4.263 124.238 119.950 0.042 0.000 2.146 209 F HA 0.158 4.685 4.527 -0.000 0.000 0.298 209 F C 0.439 176.247 175.800 0.013 0.000 1.096 209 F CA 0.926 58.950 58.000 0.039 0.000 1.275 209 F CB 0.172 39.203 39.000 0.052 0.000 1.008 209 F HN 0.447 nan 8.300 nan 0.000 0.480 210 L N -0.680 120.672 121.223 0.214 0.000 2.470 210 L HA 0.205 4.545 4.340 -0.000 0.000 0.243 210 L C 1.639 178.492 176.870 -0.029 0.000 1.227 210 L CA 0.206 55.104 54.840 0.097 0.000 0.824 210 L CB -0.241 41.823 42.059 0.008 0.000 1.175 210 L HN 0.090 nan 8.230 nan 0.000 0.503 211 G N -1.111 107.697 108.800 0.012 0.000 3.523 211 G HA2 0.169 4.129 3.960 -0.000 0.000 0.270 211 G HA3 0.169 4.129 3.960 -0.000 0.000 0.270 211 G C -0.005 174.922 174.900 0.046 0.000 1.134 211 G CA 0.020 45.127 45.100 0.011 0.000 0.825 211 G HN 0.746 nan 8.290 nan 0.000 0.534 212 H N -2.165 116.879 119.070 -0.044 0.000 3.037 212 H HA 0.511 5.067 4.556 -0.000 0.000 0.355 212 H C -1.304 173.978 175.328 -0.076 0.000 1.263 212 H CA -0.846 55.150 56.048 -0.087 0.000 1.129 212 H CB 1.260 30.977 29.762 -0.074 0.000 1.861 212 H HN 0.156 nan 8.280 nan 0.000 0.546 213 V N -1.024 118.819 119.914 -0.119 0.000 2.716 213 V HA 0.756 4.876 4.120 -0.000 0.000 0.304 213 V C 0.982 177.154 176.094 0.130 0.000 1.053 213 V CA 0.473 62.701 62.300 -0.120 0.000 0.984 213 V CB 0.769 32.361 31.823 -0.384 0.000 1.021 213 V HN 1.425 nan 8.190 nan 0.000 0.467 214 G N 0.953 109.862 108.800 0.181 0.000 2.284 214 G HA2 0.380 4.340 3.960 -0.000 0.000 0.201 214 G HA3 0.380 4.340 3.960 -0.000 0.000 0.201 214 G C 1.413 176.495 174.900 0.303 0.000 0.998 214 G CA 0.339 45.622 45.100 0.305 0.000 0.651 214 G HN 2.906 nan 8.290 nan 0.000 0.489 215 G N -1.602 107.334 108.800 0.227 0.000 2.582 215 G HA2 0.245 4.205 3.960 -0.000 0.000 0.222 215 G HA3 0.245 4.205 3.960 -0.000 0.000 0.222 215 G C -0.073 175.012 174.900 0.309 0.000 1.311 215 G CA 0.166 45.407 45.100 0.236 0.000 0.915 215 G HN 1.548 nan 8.290 nan 0.000 0.528 216 V N 0.910 120.973 119.914 0.248 0.000 2.649 216 V HA 0.577 4.697 4.120 -0.000 0.000 0.292 216 V C 1.897 178.101 176.094 0.183 0.000 1.055 216 V CA 1.371 63.791 62.300 0.200 0.000 1.023 216 V CB 0.318 32.231 31.823 0.151 0.000 0.992 216 V HN 2.900 nan 8.190 nan 0.000 0.480 217 G N 3.542 112.376 108.800 0.056 0.000 2.267 217 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 217 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 217 G C 0.306 175.003 174.900 -0.338 0.000 0.998 217 G CA 0.322 45.417 45.100 -0.007 0.000 0.620 217 G HN 0.820 nan 8.290 nan 0.000 0.529 218 I N 2.000 122.267 120.570 -0.505 0.000 2.648 218 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 218 I C 0.646 176.287 176.117 -0.792 0.000 1.153 218 I CA -0.116 60.487 61.300 -1.162 0.000 1.426 218 I CB 0.442 37.943 38.000 -0.831 0.000 1.381 218 I HN 0.277 nan 8.210 nan 0.000 0.571 219 D N 6.210 126.074 120.400 -0.894 0.000 2.472 219 D HA -0.067 4.573 4.640 -0.000 0.000 0.237 219 D C 1.059 177.072 176.300 -0.477 0.000 1.141 219 D CA -0.004 53.576 54.000 -0.700 0.000 0.875 219 D CB 0.892 41.145 40.800 -0.911 0.000 1.192 219 D HN 0.445 nan 8.370 nan 0.000 0.450 220 M N 2.204 121.576 119.600 -0.380 0.000 2.175 220 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 220 M C 1.814 177.996 176.300 -0.197 0.000 1.063 220 M CA 1.378 56.505 55.300 -0.289 0.000 1.119 220 M CB -0.950 31.506 32.600 -0.238 0.000 1.377 220 M HN 0.701 nan 8.290 nan 0.000 0.415 221 E N 0.374 120.463 120.200 -0.184 0.000 2.072 221 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 221 E C 1.940 178.480 176.600 -0.100 0.000 0.985 221 E CA 0.905 57.234 56.400 -0.118 0.000 0.801 221 E CB 0.221 29.860 29.700 -0.102 0.000 0.750 221 E HN 0.271 nan 8.360 nan 0.000 0.452 222 I N 0.925 121.406 120.570 -0.148 0.000 2.179 222 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 222 I C 2.638 178.734 176.117 -0.035 0.000 1.088 222 I CA 1.141 62.382 61.300 -0.099 0.000 1.357 222 I CB -1.415 36.484 38.000 -0.168 0.000 1.051 222 I HN 0.179 nan 8.210 nan 0.000 0.409 223 S N 0.612 116.262 115.700 -0.083 0.000 2.370 223 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 223 S C 1.985 176.599 174.600 0.023 0.000 1.033 223 S CA 1.318 59.529 58.200 0.020 0.000 1.011 223 S CB -0.006 63.172 63.200 -0.037 0.000 0.852 223 S HN 0.315 nan 8.310 nan 0.000 0.457 224 K N 0.854 121.233 120.400 -0.034 0.000 2.103 224 K HA 0.072 4.392 4.320 -0.000 0.000 0.204 224 K C 1.820 178.401 176.600 -0.032 0.000 1.052 224 K CA 0.996 57.251 56.287 -0.054 0.000 0.945 224 K CB -0.603 31.863 32.500 -0.056 0.000 0.722 224 K HN 0.351 nan 8.250 nan 0.000 0.443 225 N N 0.966 119.673 118.700 0.011 0.000 2.142 225 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 225 N C 1.497 177.064 175.510 0.095 0.000 1.023 225 N CA 0.684 53.757 53.050 0.039 0.000 0.852 225 N CB -0.419 38.095 38.487 0.045 0.000 0.998 225 N HN 0.064 nan 8.380 nan 0.000 0.424 226 F N 2.020 121.930 119.950 -0.067 0.000 2.095 226 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 226 F C 2.412 178.143 175.800 -0.115 0.000 1.104 226 F CA 1.503 59.464 58.000 -0.064 0.000 1.232 226 F CB -0.777 38.190 39.000 -0.056 0.000 0.987 226 F HN 0.114 nan 8.300 nan 0.000 0.475 227 Q N 0.153 119.775 119.800 -0.297 0.000 2.061 227 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 227 Q C 2.546 178.353 176.000 -0.321 0.000 0.984 227 Q CA 1.974 57.435 55.803 -0.569 0.000 0.846 227 Q CB -0.326 28.091 28.738 -0.536 0.000 0.902 227 Q HN 0.406 nan 8.270 nan 0.000 0.421 228 R N -0.097 120.308 120.500 -0.157 0.000 2.105 228 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 228 R C 2.219 178.503 176.300 -0.026 0.000 1.135 228 R CA 1.615 57.675 56.100 -0.067 0.000 0.967 228 R CB -0.185 30.098 30.300 -0.028 0.000 0.861 228 R HN 0.356 nan 8.270 nan 0.000 0.442 229 I N 0.179 120.740 120.570 -0.015 0.000 2.286 229 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 229 I C 1.952 178.084 176.117 0.025 0.000 1.104 229 I CA 1.009 62.331 61.300 0.037 0.000 1.397 229 I CB -0.108 37.953 38.000 0.101 0.000 1.072 229 I HN 0.184 nan 8.210 nan 0.000 0.417 230 L N -0.072 121.108 121.223 -0.071 0.000 2.083 230 L HA -0.242 4.097 4.340 -0.000 0.000 0.209 230 L C 2.581 179.527 176.870 0.126 0.000 1.083 230 L CA 1.443 56.281 54.840 -0.003 0.000 0.752 230 L CB -0.632 41.319 42.059 -0.180 0.000 0.899 230 L HN 0.310 nan 8.230 nan 0.000 0.433 231 Q N -0.013 119.847 119.800 0.100 0.000 2.119 231 Q HA -0.202 4.138 4.340 -0.000 0.000 0.201 231 Q C 2.197 178.261 176.000 0.107 0.000 0.972 231 Q CA 1.271 57.161 55.803 0.145 0.000 0.847 231 Q CB -0.028 28.778 28.738 0.115 0.000 0.903 231 Q HN 0.426 nan 8.270 nan 0.000 0.433 232 K N 0.600 121.047 120.400 0.079 0.000 2.147 232 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 232 K C 1.949 178.603 176.600 0.090 0.000 1.049 232 K CA 1.126 57.460 56.287 0.077 0.000 0.936 232 K CB 0.027 32.570 32.500 0.071 0.000 0.722 232 K HN 0.275 nan 8.250 nan 0.000 0.446 233 Q N -0.979 118.881 119.800 0.100 0.000 2.369 233 Q HA -0.033 4.307 4.340 -0.000 0.000 0.206 233 Q C 1.037 177.084 176.000 0.078 0.000 0.963 233 Q CA 0.897 56.751 55.803 0.086 0.000 0.894 233 Q CB 0.468 29.253 28.738 0.078 0.000 0.965 233 Q HN 0.574 nan 8.270 nan 0.000 0.475 234 G N 0.242 109.106 108.800 0.107 0.000 2.192 234 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.193 234 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.193 234 G C -0.337 174.637 174.900 0.122 0.000 0.999 234 G CA -0.474 44.680 45.100 0.090 0.000 0.659 234 G HN 0.290 nan 8.290 nan 0.000 0.503 235 F N 3.665 123.594 119.950 -0.036 0.000 2.471 235 F HA 0.589 5.116 4.527 -0.000 0.000 0.365 235 F C 0.702 176.390 175.800 -0.187 0.000 1.095 235 F CA -0.965 56.955 58.000 -0.134 0.000 1.174 235 F CB 0.348 39.289 39.000 -0.098 0.000 1.105 235 F HN 0.025 nan 8.300 nan 0.000 0.535 236 K N 5.887 126.391 120.400 0.174 0.000 2.118 236 K HA 0.466 4.786 4.320 -0.000 0.000 0.267 236 K C -1.283 175.143 176.600 -0.290 0.000 0.991 236 K CA -0.399 55.896 56.287 0.012 0.000 0.916 236 K CB 1.249 33.762 32.500 0.022 0.000 1.041 236 K HN 0.396 nan 8.250 nan 0.000 0.455 237 F N 1.104 121.063 119.950 0.015 0.000 2.563 237 F HA 0.358 4.885 4.527 -0.000 0.000 0.316 237 F C 0.165 175.953 175.800 -0.020 0.000 1.076 237 F CA -0.977 57.003 58.000 -0.034 0.000 0.921 237 F CB 1.668 40.586 39.000 -0.137 0.000 1.209 237 F HN 0.034 nan 8.300 nan 0.000 0.462 238 K N 4.540 125.035 120.400 0.157 0.000 2.592 238 K HA 0.443 4.763 4.320 -0.000 0.000 0.212 238 K C -0.957 175.685 176.600 0.070 0.000 1.013 238 K CA -0.127 56.208 56.287 0.080 0.000 1.034 238 K CB 1.049 33.572 32.500 0.040 0.000 1.292 238 K HN 0.574 nan 8.250 nan 0.000 0.521 239 L N 1.358 122.611 121.223 0.049 0.000 2.399 239 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 239 L C 0.652 177.486 176.870 -0.059 0.000 1.089 239 L CA -0.678 54.162 54.840 -0.000 0.000 0.802 239 L CB 0.406 42.451 42.059 -0.023 0.000 1.180 239 L HN 0.603 nan 8.230 nan 0.000 0.454 240 N N 0.366 118.993 118.700 -0.122 0.000 2.738 240 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 240 N C -0.750 174.611 175.510 -0.248 0.000 1.047 240 N CA 0.821 53.728 53.050 -0.238 0.000 0.707 240 N CB -1.147 37.247 38.487 -0.156 0.000 0.937 240 N HN 0.716 nan 8.380 nan 0.000 0.545 241 T N 0.242 114.668 114.554 -0.213 0.000 2.952 241 T HA 0.404 4.754 4.350 -0.000 0.000 0.305 241 T C -0.008 174.669 174.700 -0.038 0.000 1.064 241 T CA -0.714 61.317 62.100 -0.115 0.000 1.008 241 T CB 2.980 71.829 68.868 -0.032 0.000 1.078 241 T HN 0.181 nan 8.240 nan 0.000 0.459 242 K N 1.879 122.298 120.400 0.032 0.000 2.203 242 K HA 0.713 5.033 4.320 -0.000 0.000 0.251 242 K C -1.122 175.577 176.600 0.165 0.000 0.944 242 K CA -0.702 55.709 56.287 0.207 0.000 0.829 242 K CB 1.391 34.059 32.500 0.279 0.000 1.125 242 K HN 0.342 nan 8.250 nan 0.000 0.430 243 V N 3.765 123.813 119.914 0.224 0.000 2.333 243 V HA 0.073 4.192 4.120 -0.000 0.000 0.274 243 V C 1.175 177.405 176.094 0.226 0.000 1.028 243 V CA -0.309 62.069 62.300 0.131 0.000 0.851 243 V CB 0.968 32.756 31.823 -0.058 0.000 1.000 243 V HN 1.085 nan 8.190 nan 0.000 0.456 244 T N 1.125 115.765 114.554 0.142 0.000 3.054 244 T HA 0.407 4.757 4.350 -0.000 0.000 0.259 244 T C 0.781 175.566 174.700 0.141 0.000 1.092 244 T CA 0.569 62.757 62.100 0.147 0.000 1.121 244 T CB 0.378 69.301 68.868 0.092 0.000 0.912 244 T HN 1.099 nan 8.240 nan 0.000 0.489 245 G N -0.281 108.574 108.800 0.091 0.000 2.316 245 G HA2 0.577 4.537 3.960 -0.000 0.000 0.296 245 G HA3 0.577 4.537 3.960 -0.000 0.000 0.296 245 G C -2.046 172.854 174.900 -0.000 0.000 1.399 245 G CA -0.473 44.668 45.100 0.068 0.000 0.833 245 G HN 0.725 nan 8.290 nan 0.000 0.565 246 A N -0.533 122.282 122.820 -0.007 0.000 2.549 246 A HA 0.954 5.273 4.320 -0.000 0.000 0.297 246 A C -0.503 177.071 177.584 -0.016 0.000 1.061 246 A CA -0.310 51.707 52.037 -0.033 0.000 0.690 246 A CB 1.968 20.924 19.000 -0.072 0.000 1.287 246 A HN 1.389 nan 8.150 nan 0.000 0.402 247 T N 1.926 116.467 114.554 -0.021 0.000 2.881 247 T HA 0.397 4.746 4.350 -0.000 0.000 0.290 247 T C -0.562 174.125 174.700 -0.022 0.000 1.000 247 T CA -0.658 61.433 62.100 -0.015 0.000 0.978 247 T CB 1.386 70.249 68.868 -0.009 0.000 0.997 247 T HN 0.604 nan 8.240 nan 0.000 0.443 248 K N 2.717 123.105 120.400 -0.020 0.000 2.350 248 K HA 0.326 4.646 4.320 -0.000 0.000 0.279 248 K C 0.324 176.911 176.600 -0.021 0.000 1.027 248 K CA -0.573 55.699 56.287 -0.025 0.000 0.969 248 K CB 0.655 33.142 32.500 -0.023 0.000 0.954 248 K HN 0.303 nan 8.250 nan 0.000 0.474 249 K N 0.653 121.039 120.400 -0.025 0.000 2.168 249 K HA 0.115 4.435 4.320 -0.000 0.000 0.239 249 K C 1.377 177.965 176.600 -0.020 0.000 0.999 249 K CA -0.297 55.977 56.287 -0.021 0.000 0.900 249 K CB 1.482 33.968 32.500 -0.024 0.000 1.111 249 K HN 0.697 nan 8.250 nan 0.000 0.452 250 S N 0.419 116.109 115.700 -0.017 0.000 2.380 250 S HA -0.219 4.250 4.470 -0.000 0.000 0.229 250 S C 1.023 175.612 174.600 -0.018 0.000 1.043 250 S CA 2.018 60.209 58.200 -0.016 0.000 1.038 250 S CB -0.443 62.748 63.200 -0.013 0.000 0.872 250 S HN 0.721 nan 8.310 nan 0.000 0.456 251 D N 0.206 120.593 120.400 -0.021 0.000 2.325 251 D HA 0.319 4.959 4.640 -0.000 0.000 0.225 251 D C 1.334 177.617 176.300 -0.029 0.000 1.096 251 D CA 0.479 54.465 54.000 -0.023 0.000 0.844 251 D CB -0.491 40.295 40.800 -0.023 0.000 0.925 251 D HN 0.649 nan 8.370 nan 0.000 0.513 252 G N 0.087 108.869 108.800 -0.030 0.000 2.199 252 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 252 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 252 G C 0.452 175.326 174.900 -0.044 0.000 0.982 252 G CA 0.304 45.382 45.100 -0.037 0.000 0.632 252 G HN 0.477 nan 8.290 nan 0.000 0.529 253 K N -0.421 119.954 120.400 -0.042 0.000 2.273 253 K HA 0.723 5.043 4.320 -0.000 0.000 0.240 253 K C 0.226 176.798 176.600 -0.047 0.000 1.056 253 K CA -0.099 56.159 56.287 -0.049 0.000 0.910 253 K CB 0.614 33.087 32.500 -0.044 0.000 1.196 253 K HN 0.246 nan 8.250 nan 0.000 0.509 254 I N 0.917 121.456 120.570 -0.052 0.000 2.534 254 I HA 0.127 4.297 4.170 -0.000 0.000 0.288 254 I C -1.350 174.738 176.117 -0.048 0.000 1.077 254 I CA -0.818 60.452 61.300 -0.051 0.000 1.051 254 I CB 2.164 40.126 38.000 -0.063 0.000 1.234 254 I HN 0.388 nan 8.210 nan 0.000 0.425 255 D N 5.563 125.940 120.400 -0.039 0.000 2.274 255 D HA 0.388 5.028 4.640 -0.000 0.000 0.239 255 D C -0.585 175.693 176.300 -0.038 0.000 1.104 255 D CA 0.002 53.981 54.000 -0.034 0.000 0.840 255 D CB 2.123 42.909 40.800 -0.023 0.000 1.100 255 D HN 0.010 nan 8.370 nan 0.000 0.477 256 V N 2.544 122.433 119.914 -0.043 0.000 2.370 256 V HA 0.373 4.493 4.120 -0.000 0.000 0.283 256 V C 0.134 176.210 176.094 -0.031 0.000 1.023 256 V CA -0.753 61.516 62.300 -0.051 0.000 0.857 256 V CB 1.446 33.226 31.823 -0.072 0.000 0.985 256 V HN 0.623 nan 8.190 nan 0.000 0.443 257 S N 6.467 122.157 115.700 -0.017 0.000 2.462 257 S HA 0.872 5.342 4.470 -0.000 0.000 0.294 257 S C -0.538 174.069 174.600 0.013 0.000 1.144 257 S CA -0.626 57.574 58.200 0.001 0.000 1.088 257 S CB 1.391 64.598 63.200 0.011 0.000 1.009 257 S HN 0.741 nan 8.310 nan 0.000 0.484 258 I N -0.754 119.824 120.570 0.013 0.000 3.145 258 I HA 0.889 5.059 4.170 -0.000 0.000 0.313 258 I C -0.981 175.149 176.117 0.022 0.000 1.122 258 I CA -1.178 60.136 61.300 0.023 0.000 0.987 258 I CB 2.371 40.378 38.000 0.012 0.000 1.236 258 I HN 0.906 nan 8.210 nan 0.000 0.453 259 E N 2.495 122.709 120.200 0.024 0.000 2.401 259 E HA 0.639 4.989 4.350 -0.000 0.000 0.280 259 E C -1.266 175.329 176.600 -0.008 0.000 1.039 259 E CA -1.216 55.191 56.400 0.012 0.000 0.814 259 E CB 1.582 31.295 29.700 0.022 0.000 1.275 259 E HN 0.972 nan 8.360 nan 0.000 0.448 260 A N 0.908 123.713 122.820 -0.025 0.000 2.583 260 A HA 0.330 4.650 4.320 -0.000 0.000 0.231 260 A C 1.284 178.812 177.584 -0.094 0.000 1.065 260 A CA 0.730 52.729 52.037 -0.062 0.000 0.760 260 A CB 0.053 19.023 19.000 -0.049 0.000 1.001 260 A HN 0.936 nan 8.150 nan 0.000 0.509 261 A N 1.351 124.040 122.820 -0.218 0.000 1.902 261 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 261 A C 2.348 179.848 177.584 -0.139 0.000 1.181 261 A CA 2.286 54.093 52.037 -0.383 0.000 0.623 261 A CB -1.061 17.352 19.000 -0.978 0.000 0.818 261 A HN 1.696 nan 8.150 nan 0.000 0.443 262 S N -1.716 113.921 115.700 -0.104 0.000 2.489 262 S HA 0.417 4.887 4.470 -0.000 0.000 0.228 262 S C 0.963 175.565 174.600 0.004 0.000 0.995 262 S CA 0.670 58.858 58.200 -0.021 0.000 0.934 262 S CB -0.490 62.695 63.200 -0.025 0.000 0.771 262 S HN 1.982 nan 8.310 nan 0.000 0.522 263 G N -0.917 107.880 108.800 -0.006 0.000 2.535 263 G HA2 0.512 4.472 3.960 -0.000 0.000 0.662 263 G HA3 0.512 4.472 3.960 -0.000 0.000 0.662 263 G C -0.047 174.854 174.900 0.002 0.000 1.417 263 G CA -0.493 44.612 45.100 0.009 0.000 0.866 263 G HN 1.674 nan 8.290 nan 0.000 0.647 264 G N 0.722 109.527 108.800 0.007 0.000 2.685 264 G HA2 0.380 4.340 3.960 -0.000 0.000 0.387 264 G HA3 0.380 4.340 3.960 -0.000 0.000 0.387 264 G C 0.473 175.373 174.900 0.001 0.000 1.324 264 G CA 0.679 45.782 45.100 0.004 0.000 0.878 264 G HN 2.303 nan 8.290 nan 0.000 0.527 265 K N -1.592 118.808 120.400 0.000 0.000 3.278 265 K HA 0.013 4.333 4.320 -0.000 0.000 0.270 265 K C 0.785 177.385 176.600 0.001 0.000 0.955 265 K CA 1.269 57.555 56.287 -0.001 0.000 0.723 265 K CB -1.485 31.012 32.500 -0.005 0.000 1.382 265 K HN 2.288 nan 8.250 nan 0.000 0.461 266 A N 1.817 124.640 122.820 0.005 0.000 2.462 266 A HA 0.322 4.642 4.320 -0.000 0.000 0.243 266 A C 0.017 177.604 177.584 0.005 0.000 1.076 266 A CA 0.380 52.422 52.037 0.008 0.000 0.773 266 A CB 0.320 19.327 19.000 0.012 0.000 1.010 266 A HN 0.566 nan 8.150 nan 0.000 0.493 267 E N -0.124 120.079 120.200 0.004 0.000 2.449 267 E HA 0.596 4.946 4.350 -0.000 0.000 0.278 267 E C -1.747 174.853 176.600 -0.001 0.000 0.992 267 E CA -0.891 55.510 56.400 0.001 0.000 0.807 267 E CB 2.243 31.942 29.700 -0.001 0.000 1.350 267 E HN 0.366 nan 8.360 nan 0.000 0.462 268 V N 1.718 121.629 119.914 -0.005 0.000 2.638 268 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 268 V C -0.792 175.293 176.094 -0.015 0.000 1.052 268 V CA -0.586 61.708 62.300 -0.010 0.000 0.885 268 V CB 1.568 33.386 31.823 -0.009 0.000 0.999 268 V HN 0.496 nan 8.190 nan 0.000 0.424 269 I N 2.965 123.522 120.570 -0.022 0.000 2.436 269 I HA 0.467 4.637 4.170 -0.000 0.000 0.289 269 I C 0.018 176.114 176.117 -0.035 0.000 1.010 269 I CA -0.205 61.078 61.300 -0.028 0.000 1.098 269 I CB 2.409 40.391 38.000 -0.030 0.000 1.266 269 I HN 0.529 nan 8.210 nan 0.000 0.434 270 T N 5.051 119.584 114.554 -0.035 0.000 2.837 270 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 270 T C -0.315 174.355 174.700 -0.050 0.000 0.984 270 T CA -0.476 61.600 62.100 -0.040 0.000 1.049 270 T CB 0.898 69.746 68.868 -0.033 0.000 0.947 270 T HN 0.797 nan 8.240 nan 0.000 0.472 271 C N 1.082 120.346 119.300 -0.060 0.000 3.285 271 C HA 0.633 5.092 4.460 -0.000 0.000 0.320 271 C C 0.647 175.588 174.990 -0.081 0.000 1.411 271 C CA -0.796 58.177 59.018 -0.075 0.000 1.429 271 C CB 1.200 28.887 27.740 -0.088 0.000 1.812 271 C HN 0.800 nan 8.230 nan 0.000 0.454 272 D N -0.153 120.188 120.400 -0.097 0.000 2.338 272 D HA 0.192 4.832 4.640 -0.000 0.000 0.208 272 D C 0.046 176.270 176.300 -0.127 0.000 0.997 272 D CA 1.152 55.089 54.000 -0.104 0.000 0.880 272 D CB 1.064 41.798 40.800 -0.109 0.000 0.980 272 D HN 0.414 nan 8.370 nan 0.000 0.509 273 V N 1.535 121.359 119.914 -0.150 0.000 2.760 273 V HA 0.302 4.422 4.120 -0.000 0.000 0.309 273 V C -1.185 174.818 176.094 -0.151 0.000 1.077 273 V CA -0.909 61.288 62.300 -0.172 0.000 0.910 273 V CB 3.049 34.718 31.823 -0.256 0.000 1.008 273 V HN -0.074 nan 8.190 nan 0.000 0.424 274 L N 5.518 126.662 121.223 -0.132 0.000 2.319 274 L HA 0.701 5.041 4.340 -0.000 0.000 0.281 274 L C -1.060 175.745 176.870 -0.109 0.000 1.005 274 L CA -0.376 54.393 54.840 -0.118 0.000 0.828 274 L CB 1.414 43.406 42.059 -0.111 0.000 1.227 274 L HN 0.629 nan 8.230 nan 0.000 0.415 275 L N 6.886 128.052 121.223 -0.096 0.000 2.264 275 L HA 0.576 4.916 4.340 -0.000 0.000 0.289 275 L C -0.997 175.848 176.870 -0.042 0.000 1.044 275 L CA -0.171 54.632 54.840 -0.062 0.000 0.807 275 L CB 1.467 43.502 42.059 -0.039 0.000 1.192 275 L HN 0.394 nan 8.230 nan 0.000 0.425 276 V N 5.218 125.117 119.914 -0.026 0.000 2.333 276 V HA 0.344 4.464 4.120 -0.000 0.000 0.274 276 V C -0.032 176.091 176.094 0.049 0.000 1.028 276 V CA -0.394 61.901 62.300 -0.007 0.000 0.851 276 V CB 0.694 32.518 31.823 0.002 0.000 1.000 276 V HN 0.985 nan 8.190 nan 0.000 0.456 277 C N 5.093 124.437 119.300 0.073 0.000 3.493 277 C HA 0.432 4.892 4.460 -0.000 0.000 0.228 277 C C 1.104 176.166 174.990 0.120 0.000 1.227 277 C CA -0.710 58.366 59.018 0.096 0.000 1.291 277 C CB -0.590 27.206 27.740 0.094 0.000 1.820 277 C HN 0.772 nan 8.230 nan 0.000 0.547 278 I N -0.325 120.333 120.570 0.147 0.000 3.419 278 I HA 0.522 4.692 4.170 -0.000 0.000 0.286 278 I C 0.644 176.830 176.117 0.114 0.000 1.268 278 I CA 1.081 62.474 61.300 0.156 0.000 1.414 278 I CB -0.514 37.618 38.000 0.220 0.000 1.074 278 I HN 0.818 nan 8.210 nan 0.000 0.457 279 G N 1.086 109.947 108.800 0.102 0.000 2.313 279 G HA2 0.427 4.387 3.960 -0.000 0.000 0.296 279 G HA3 0.427 4.387 3.960 -0.000 0.000 0.296 279 G C -1.391 173.554 174.900 0.075 0.000 1.356 279 G CA -1.009 44.140 45.100 0.082 0.000 0.833 279 G HN 0.202 nan 8.290 nan 0.000 0.552 280 R N -0.684 119.856 120.500 0.067 0.000 2.867 280 R HA 0.815 5.155 4.340 -0.000 0.000 0.268 280 R C -0.270 176.066 176.300 0.061 0.000 1.014 280 R CA -1.000 55.138 56.100 0.064 0.000 0.946 280 R CB 2.637 32.973 30.300 0.060 0.000 1.208 280 R HN 0.866 nan 8.270 nan 0.000 0.477 281 R N 0.137 120.680 120.500 0.072 0.000 2.739 281 R HA 0.479 4.819 4.340 -0.000 0.000 0.271 281 R C -2.997 173.363 176.300 0.101 0.000 1.010 281 R CA -2.095 54.049 56.100 0.073 0.000 0.897 281 R CB 1.878 32.218 30.300 0.068 0.000 1.236 281 R HN 0.310 nan 8.270 nan 0.000 0.466 282 P HA -0.042 nan 4.420 nan 0.000 0.264 282 P C -1.152 176.242 177.300 0.157 0.000 1.193 282 P CA 0.149 63.313 63.100 0.107 0.000 0.763 282 P CB 0.296 32.033 31.700 0.062 0.000 0.810 283 F N 4.474 124.439 119.950 0.025 0.000 2.361 283 F HA 0.336 4.863 4.527 -0.000 0.000 0.364 283 F C 0.784 176.604 175.800 0.033 0.000 1.120 283 F CA -0.026 57.993 58.000 0.032 0.000 1.102 283 F CB 1.003 40.020 39.000 0.028 0.000 1.183 283 F HN 0.307 nan 8.300 nan 0.000 0.476 284 T N 1.394 115.656 114.554 -0.487 0.000 3.209 284 T HA 0.165 4.515 4.350 -0.000 0.000 0.295 284 T C 0.354 174.798 174.700 -0.427 0.000 0.977 284 T CA -0.581 61.309 62.100 -0.350 0.000 0.922 284 T CB -0.307 68.475 68.868 -0.143 0.000 1.152 284 T HN 0.520 nan 8.240 nan 0.000 0.527 285 K N 2.630 122.553 120.400 -0.795 0.000 2.530 285 K HA -0.041 4.279 4.320 -0.000 0.000 0.280 285 K C 0.093 176.622 176.600 -0.119 0.000 1.004 285 K CA 0.357 56.383 56.287 -0.436 0.000 1.071 285 K CB -0.141 32.084 32.500 -0.459 0.000 0.876 285 K HN 0.346 nan 8.250 nan 0.000 0.487 286 N N 2.780 121.447 118.700 -0.054 0.000 2.699 286 N HA -0.243 4.497 4.740 -0.000 0.000 0.256 286 N C 0.096 175.670 175.510 0.108 0.000 0.993 286 N CA 0.341 53.393 53.050 0.004 0.000 0.759 286 N CB -0.363 38.081 38.487 -0.071 0.000 0.906 286 N HN 0.465 nan 8.380 nan 0.000 0.541 287 L N -0.594 120.662 121.223 0.054 0.000 2.513 287 L HA 0.229 4.569 4.340 -0.000 0.000 0.222 287 L C 1.640 178.535 176.870 0.041 0.000 1.096 287 L CA 1.985 56.865 54.840 0.067 0.000 0.857 287 L CB 0.045 42.111 42.059 0.012 0.000 1.026 287 L HN 0.506 nan 8.230 nan 0.000 0.469 288 G N -1.259 107.552 108.800 0.018 0.000 2.179 288 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 288 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 288 G C 0.976 175.875 174.900 -0.001 0.000 0.990 288 G CA 0.403 45.509 45.100 0.009 0.000 0.646 288 G HN 0.318 nan 8.290 nan 0.000 0.517 289 L N 0.600 121.819 121.223 -0.007 0.000 2.141 289 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 289 L C 2.647 179.508 176.870 -0.016 0.000 1.094 289 L CA 2.069 56.901 54.840 -0.013 0.000 0.763 289 L CB -0.456 41.592 42.059 -0.018 0.000 0.908 289 L HN 0.581 nan 8.230 nan 0.000 0.437 290 E N 0.991 121.180 120.200 -0.018 0.000 2.338 290 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 290 E C 1.638 178.229 176.600 -0.014 0.000 1.007 290 E CA 1.258 57.647 56.400 -0.018 0.000 0.849 290 E CB 0.012 29.700 29.700 -0.021 0.000 0.774 290 E HN 0.561 nan 8.360 nan 0.000 0.506 291 E N -0.322 119.871 120.200 -0.012 0.000 2.251 291 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 291 E C 1.447 178.041 176.600 -0.010 0.000 0.964 291 E CA 0.117 56.511 56.400 -0.010 0.000 0.868 291 E CB 0.173 29.868 29.700 -0.007 0.000 0.828 291 E HN 0.193 nan 8.360 nan 0.000 0.481 292 L N -0.119 121.098 121.223 -0.011 0.000 2.478 292 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 292 L C 1.487 178.348 176.870 -0.015 0.000 1.140 292 L CA 1.343 56.176 54.840 -0.013 0.000 0.842 292 L CB -0.242 41.809 42.059 -0.013 0.000 0.953 292 L HN 0.311 nan 8.230 nan 0.000 0.452 293 G N -0.832 107.959 108.800 -0.015 0.000 2.131 293 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.223 293 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.223 293 G C 0.261 175.150 174.900 -0.018 0.000 0.990 293 G CA -0.323 44.767 45.100 -0.016 0.000 0.671 293 G HN 0.104 nan 8.290 nan 0.000 0.521 294 I N 2.062 122.621 120.570 -0.018 0.000 2.329 294 I HA 0.206 4.376 4.170 -0.000 0.000 0.295 294 I C 0.540 176.647 176.117 -0.017 0.000 1.109 294 I CA -0.235 61.054 61.300 -0.019 0.000 1.297 294 I CB -0.005 37.984 38.000 -0.017 0.000 1.433 294 I HN 0.242 nan 8.210 nan 0.000 0.509 295 E N 6.710 126.899 120.200 -0.017 0.000 2.105 295 E HA 0.332 4.682 4.350 -0.000 0.000 0.285 295 E C -0.280 176.312 176.600 -0.015 0.000 1.055 295 E CA -0.540 55.851 56.400 -0.016 0.000 0.843 295 E CB 1.223 30.914 29.700 -0.015 0.000 1.067 295 E HN 0.440 nan 8.360 nan 0.000 0.398 296 L N 3.166 124.380 121.223 -0.015 0.000 2.482 296 L HA -0.005 4.335 4.340 -0.000 0.000 0.273 296 L C 0.944 177.807 176.870 -0.012 0.000 1.228 296 L CA -0.223 54.609 54.840 -0.013 0.000 0.827 296 L CB 0.029 42.078 42.059 -0.016 0.000 1.099 296 L HN 0.614 nan 8.230 nan 0.000 0.494 297 D N 1.214 121.608 120.400 -0.009 0.000 2.433 297 D HA 0.158 4.798 4.640 -0.000 0.000 0.255 297 D C -1.917 174.377 176.300 -0.010 0.000 1.226 297 D CA -1.766 52.228 54.000 -0.010 0.000 1.015 297 D CB -0.180 40.614 40.800 -0.010 0.000 1.091 297 D HN 0.149 nan 8.370 nan 0.000 0.527 298 P HA -0.135 nan 4.420 nan 0.000 0.215 298 P C 0.922 178.215 177.300 -0.011 0.000 1.163 298 P CA 1.605 64.698 63.100 -0.012 0.000 0.894 298 P CB 0.035 31.727 31.700 -0.013 0.000 0.791 299 R N -1.346 119.149 120.500 -0.009 0.000 2.369 299 R HA 0.161 4.501 4.340 -0.000 0.000 0.200 299 R C 1.306 177.607 176.300 0.001 0.000 1.046 299 R CA 0.730 56.828 56.100 -0.005 0.000 1.057 299 R CB -0.902 29.396 30.300 -0.003 0.000 0.888 299 R HN 0.260 nan 8.270 nan 0.000 0.474 300 G N 1.023 109.822 108.800 -0.002 0.000 2.159 300 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.256 300 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.256 300 G C 0.009 174.910 174.900 0.003 0.000 0.977 300 G CA -0.115 44.984 45.100 -0.002 0.000 0.652 300 G HN 0.317 nan 8.290 nan 0.000 0.531 301 R N -0.482 120.020 120.500 0.005 0.000 2.500 301 R HA 0.651 4.991 4.340 -0.000 0.000 0.277 301 R C 0.527 176.832 176.300 0.008 0.000 1.026 301 R CA -0.750 55.356 56.100 0.011 0.000 1.058 301 R CB 1.023 31.330 30.300 0.011 0.000 1.078 301 R HN 0.250 nan 8.270 nan 0.000 0.509 302 I N 3.421 124.002 120.570 0.018 0.000 2.352 302 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 302 I C -1.995 174.134 176.117 0.019 0.000 1.036 302 I CA -2.103 59.208 61.300 0.018 0.000 1.336 302 I CB 1.107 39.126 38.000 0.030 0.000 1.407 302 I HN 0.202 nan 8.210 nan 0.000 0.497 303 P HA 0.109 nan 4.420 nan 0.000 0.276 303 P C -0.568 176.728 177.300 -0.006 0.000 1.253 303 P CA -0.099 62.999 63.100 -0.004 0.000 0.766 303 P CB 0.760 32.452 31.700 -0.013 0.000 0.845 304 V N 1.281 121.188 119.914 -0.011 0.000 3.158 304 V HA 0.707 4.827 4.120 -0.000 0.000 0.315 304 V C -0.192 175.849 176.094 -0.088 0.000 1.148 304 V CA -0.936 61.346 62.300 -0.031 0.000 1.042 304 V CB 2.271 34.102 31.823 0.014 0.000 1.101 304 V HN 0.511 nan 8.190 nan 0.000 0.448 305 N N -0.506 118.125 118.700 -0.115 0.000 2.725 305 N HA 0.265 5.005 4.740 -0.000 0.000 0.312 305 N C 0.724 176.088 175.510 -0.244 0.000 1.295 305 N CA 0.166 53.139 53.050 -0.128 0.000 0.914 305 N CB 0.791 39.234 38.487 -0.073 0.000 1.177 305 N HN 0.640 nan 8.380 nan 0.000 0.601 306 T N 0.088 114.538 114.554 -0.172 0.000 2.849 306 T HA -0.037 4.312 4.350 -0.000 0.000 0.270 306 T C 1.280 175.855 174.700 -0.208 0.000 1.066 306 T CA 1.160 63.142 62.100 -0.197 0.000 1.130 306 T CB -0.160 68.670 68.868 -0.065 0.000 0.864 306 T HN 0.381 nan 8.240 nan 0.000 0.481 307 R N -0.309 120.147 120.500 -0.072 0.000 2.388 307 R HA 0.243 4.583 4.340 -0.000 0.000 0.247 307 R C -0.257 176.254 176.300 0.351 0.000 0.931 307 R CA -0.223 55.967 56.100 0.151 0.000 1.082 307 R CB -0.006 30.413 30.300 0.198 0.000 1.135 307 R HN 0.270 nan 8.270 nan 0.000 0.525 308 F N 0.086 120.145 119.950 0.182 0.000 3.074 308 F HA -0.301 4.226 4.527 -0.000 0.000 0.289 308 F C 0.035 175.979 175.800 0.240 0.000 0.863 308 F CA 0.719 58.844 58.000 0.207 0.000 1.121 308 F CB -1.943 37.179 39.000 0.202 0.000 1.169 308 F HN 0.180 nan 8.300 nan 0.000 0.570 309 Q N -0.348 119.530 119.800 0.130 0.000 2.214 309 Q HA 0.597 4.937 4.340 -0.000 0.000 0.251 309 Q C 0.981 176.927 176.000 -0.090 0.000 0.936 309 Q CA 0.022 55.745 55.803 -0.134 0.000 0.894 309 Q CB 1.934 30.555 28.738 -0.194 0.000 1.252 309 Q HN 0.379 nan 8.270 nan 0.000 0.448 310 T N -2.055 112.418 114.554 -0.134 0.000 3.030 310 T HA 0.262 4.612 4.350 -0.000 0.000 0.274 310 T C 0.991 175.641 174.700 -0.083 0.000 1.187 310 T CA -0.383 61.672 62.100 -0.076 0.000 0.949 310 T CB 0.334 69.166 68.868 -0.060 0.000 2.268 310 T HN 0.403 nan 8.240 nan 0.000 0.554 311 K N -0.298 120.063 120.400 -0.066 0.000 1.991 311 K HA 0.140 4.460 4.320 -0.000 0.000 0.207 311 K C 0.344 176.900 176.600 -0.074 0.000 1.045 311 K CA 0.774 57.026 56.287 -0.058 0.000 0.937 311 K CB -0.461 32.014 32.500 -0.042 0.000 0.720 311 K HN 0.368 nan 8.250 nan 0.000 0.438 312 I N 2.497 123.017 120.570 -0.082 0.000 2.406 312 I HA 0.043 4.213 4.170 -0.000 0.000 0.293 312 I C -1.988 174.034 176.117 -0.160 0.000 1.101 312 I CA -1.863 59.381 61.300 -0.093 0.000 1.334 312 I CB 0.772 38.727 38.000 -0.074 0.000 1.421 312 I HN -0.011 nan 8.210 nan 0.000 0.513 313 P HA -0.167 nan 4.420 nan 0.000 0.223 313 P C 0.348 177.454 177.300 -0.322 0.000 1.140 313 P CA 1.173 64.143 63.100 -0.216 0.000 0.783 313 P CB -0.108 31.528 31.700 -0.107 0.000 0.759 314 N N -1.810 116.754 118.700 -0.226 0.000 2.235 314 N HA 0.064 4.804 4.740 -0.000 0.000 0.209 314 N C -0.105 175.304 175.510 -0.167 0.000 1.122 314 N CA 0.097 53.058 53.050 -0.148 0.000 0.845 314 N CB 0.033 38.501 38.487 -0.032 0.000 1.004 314 N HN -0.013 nan 8.380 nan 0.000 0.499 315 I N 1.495 121.865 120.570 -0.332 0.000 2.410 315 I HA 0.304 4.474 4.170 -0.000 0.000 0.286 315 I C -1.069 174.884 176.117 -0.273 0.000 1.009 315 I CA -0.705 60.492 61.300 -0.173 0.000 1.111 315 I CB 0.554 38.500 38.000 -0.090 0.000 1.262 315 I HN -0.017 nan 8.210 nan 0.000 0.443 316 Y N 3.954 124.266 120.300 0.020 0.000 2.446 316 Y HA 0.753 5.303 4.550 -0.000 0.000 0.338 316 Y C 0.389 176.328 175.900 0.064 0.000 1.055 316 Y CA -1.029 57.107 58.100 0.061 0.000 1.101 316 Y CB 1.968 40.467 38.460 0.065 0.000 1.221 316 Y HN 0.606 nan 8.280 nan 0.000 0.460 317 A N 3.690 126.676 122.820 0.277 0.000 2.356 317 A HA 0.904 5.224 4.320 -0.000 0.000 0.310 317 A C -0.903 176.827 177.584 0.244 0.000 1.075 317 A CA -0.620 51.534 52.037 0.195 0.000 0.746 317 A CB 0.638 19.723 19.000 0.142 0.000 1.221 317 A HN 0.788 nan 8.150 nan 0.000 0.443 318 I N -1.103 119.538 120.570 0.118 0.000 3.191 318 I HA 0.944 5.113 4.170 -0.000 0.000 0.313 318 I C 0.558 176.695 176.117 0.033 0.000 1.193 318 I CA -0.379 60.943 61.300 0.035 0.000 0.968 318 I CB 1.823 39.714 38.000 -0.182 0.000 1.262 318 I HN 1.722 nan 8.210 nan 0.000 0.456 319 G N 2.170 110.980 108.800 0.016 0.000 2.539 319 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 319 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 319 G C 0.147 175.073 174.900 0.042 0.000 1.233 319 G CA 0.689 45.800 45.100 0.018 0.000 0.936 319 G HN 0.833 nan 8.290 nan 0.000 0.571 320 D N 0.377 120.799 120.400 0.037 0.000 2.221 320 D HA -0.078 4.561 4.640 -0.000 0.000 0.204 320 D C 2.740 179.074 176.300 0.056 0.000 0.982 320 D CA 2.006 56.032 54.000 0.043 0.000 0.857 320 D CB -0.397 40.432 40.800 0.048 0.000 0.934 320 D HN 0.874 nan 8.370 nan 0.000 0.475 321 V N -1.091 118.863 119.914 0.066 0.000 2.759 321 V HA -0.052 4.068 4.120 -0.000 0.000 0.256 321 V C 1.324 177.453 176.094 0.059 0.000 1.080 321 V CA 0.749 63.088 62.300 0.066 0.000 1.101 321 V CB -1.263 30.601 31.823 0.068 0.000 0.698 321 V HN 0.037 nan 8.190 nan 0.000 0.477 322 V N -2.394 117.563 119.914 0.072 0.000 3.093 322 V HA 0.949 5.069 4.120 -0.000 0.000 0.320 322 V C 0.630 176.743 176.094 0.031 0.000 1.093 322 V CA -0.870 61.472 62.300 0.070 0.000 1.016 322 V CB 0.977 32.884 31.823 0.140 0.000 1.096 322 V HN 0.546 nan 8.190 nan 0.000 0.452 323 A N 0.736 123.555 122.820 -0.002 0.000 2.433 323 A HA 0.652 4.972 4.320 -0.000 0.000 0.250 323 A C 0.960 178.463 177.584 -0.135 0.000 1.113 323 A CA 0.675 52.675 52.037 -0.062 0.000 0.794 323 A CB -0.835 18.116 19.000 -0.081 0.000 1.067 323 A HN 3.026 nan 8.150 nan 0.000 0.510 324 G N -1.306 107.365 108.800 -0.214 0.000 2.555 324 G HA2 0.190 4.150 3.960 -0.000 0.000 0.686 324 G HA3 0.190 4.150 3.960 -0.000 0.000 0.686 324 G C -3.166 171.645 174.900 -0.149 0.000 1.275 324 G CA -0.517 44.373 45.100 -0.351 0.000 0.871 324 G HN 0.804 nan 8.290 nan 0.000 0.603 325 P HA 0.310 nan 4.420 nan 0.000 0.264 325 P C 0.541 177.818 177.300 -0.038 0.000 1.193 325 P CA 0.165 63.245 63.100 -0.034 0.000 0.763 325 P CB 0.333 32.026 31.700 -0.011 0.000 0.810 326 M N 3.648 123.240 119.600 -0.014 0.000 3.596 326 M HA 0.150 4.630 4.480 -0.000 0.000 0.219 326 M C -0.378 175.907 176.300 -0.025 0.000 1.471 326 M CA 0.385 55.679 55.300 -0.009 0.000 1.644 326 M CB -0.771 31.840 32.600 0.019 0.000 1.083 326 M HN 0.203 nan 8.290 nan 0.000 0.579 327 L N -0.577 120.590 121.223 -0.094 0.000 2.330 327 L HA 0.590 4.930 4.340 -0.000 0.000 0.271 327 L C 1.283 178.066 176.870 -0.145 0.000 1.013 327 L CA -0.575 54.172 54.840 -0.156 0.000 0.816 327 L CB 1.624 43.431 42.059 -0.420 0.000 1.287 327 L HN 0.449 nan 8.230 nan 0.000 0.435 328 A N 0.531 123.341 122.820 -0.017 0.000 1.902 328 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 328 A C 2.011 179.619 177.584 0.040 0.000 1.181 328 A CA 1.686 53.748 52.037 0.040 0.000 0.623 328 A CB -0.814 18.247 19.000 0.101 0.000 0.818 328 A HN 0.943 nan 8.150 nan 0.000 0.443 329 H N -0.940 118.126 119.070 -0.007 0.000 2.428 329 H HA -0.015 4.541 4.556 -0.000 0.000 0.296 329 H C 1.747 177.063 175.328 -0.020 0.000 1.062 329 H CA 1.361 57.395 56.048 -0.023 0.000 1.350 329 H CB -0.473 29.273 29.762 -0.028 0.000 1.403 329 H HN 0.408 nan 8.280 nan 0.000 0.533 330 K N 2.009 122.223 120.400 -0.310 0.000 2.057 330 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 330 K C 2.278 178.848 176.600 -0.049 0.000 1.049 330 K CA 1.376 57.586 56.287 -0.128 0.000 0.931 330 K CB -0.446 31.981 32.500 -0.122 0.000 0.714 330 K HN 0.311 nan 8.250 nan 0.000 0.440 331 A N 1.542 124.321 122.820 -0.067 0.000 1.902 331 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 331 A C 2.014 179.539 177.584 -0.099 0.000 1.181 331 A CA 1.698 53.699 52.037 -0.060 0.000 0.623 331 A CB -0.402 18.575 19.000 -0.040 0.000 0.818 331 A HN 0.539 nan 8.150 nan 0.000 0.443 332 E N -0.431 119.716 120.200 -0.088 0.000 2.047 332 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 332 E C 1.652 178.174 176.600 -0.130 0.000 0.987 332 E CA 1.175 57.500 56.400 -0.124 0.000 0.799 332 E CB -0.257 29.386 29.700 -0.095 0.000 0.752 332 E HN 0.587 nan 8.360 nan 0.000 0.449 333 D N 0.888 121.231 120.400 -0.095 0.000 2.092 333 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 333 D C 1.806 178.003 176.300 -0.172 0.000 0.994 333 D CA 1.227 55.165 54.000 -0.104 0.000 0.828 333 D CB 0.010 40.765 40.800 -0.076 0.000 0.963 333 D HN 0.164 nan 8.370 nan 0.000 0.450 334 E N -0.448 119.618 120.200 -0.223 0.000 2.085 334 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 334 E C 2.203 178.451 176.600 -0.587 0.000 0.994 334 E CA 1.069 57.152 56.400 -0.528 0.000 0.801 334 E CB -0.313 29.060 29.700 -0.545 0.000 0.743 334 E HN 0.347 nan 8.360 nan 0.000 0.453 335 G N 0.810 109.393 108.800 -0.362 0.000 2.448 335 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 335 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 335 G C 1.534 176.292 174.900 -0.237 0.000 1.127 335 G CA 0.484 45.411 45.100 -0.289 0.000 0.766 335 G HN 0.124 nan 8.290 nan 0.000 0.552 336 I N 1.082 121.532 120.570 -0.200 0.000 2.296 336 I HA -0.003 4.167 4.170 -0.000 0.000 0.242 336 I C 2.707 178.756 176.117 -0.114 0.000 1.087 336 I CA 0.727 61.947 61.300 -0.134 0.000 1.393 336 I CB -0.196 37.743 38.000 -0.102 0.000 1.093 336 I HN 0.250 nan 8.210 nan 0.000 0.421 337 I N -1.090 119.409 120.570 -0.119 0.000 2.454 337 I HA -0.285 3.885 4.170 -0.000 0.000 0.254 337 I C 2.785 178.885 176.117 -0.029 0.000 1.156 337 I CA 1.239 62.514 61.300 -0.042 0.000 1.433 337 I CB -0.867 37.146 38.000 0.022 0.000 1.082 337 I HN 0.351 nan 8.210 nan 0.000 0.432 338 C N 1.313 120.518 119.300 -0.158 0.000 2.462 338 C HA -0.061 4.399 4.460 -0.000 0.000 0.278 338 C C 2.835 177.705 174.990 -0.199 0.000 1.253 338 C CA 1.111 60.042 59.018 -0.145 0.000 1.713 338 C CB -0.879 26.668 27.740 -0.322 0.000 2.049 338 C HN 0.477 nan 8.230 nan 0.000 0.477 339 V N 1.171 120.969 119.914 -0.194 0.000 2.332 339 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 339 V C 2.486 178.589 176.094 0.015 0.000 1.055 339 V CA 2.520 64.739 62.300 -0.135 0.000 1.038 339 V CB -0.900 30.879 31.823 -0.072 0.000 0.651 339 V HN 0.620 nan 8.190 nan 0.000 0.450 340 E N 0.290 120.497 120.200 0.012 0.000 2.077 340 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 340 E C 2.357 178.995 176.600 0.063 0.000 0.989 340 E CA 1.247 57.675 56.400 0.048 0.000 0.800 340 E CB -0.528 29.186 29.700 0.023 0.000 0.746 340 E HN 0.652 nan 8.360 nan 0.000 0.452 341 G N 1.068 109.896 108.800 0.047 0.000 2.422 341 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 341 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 341 G C 1.550 176.497 174.900 0.079 0.000 1.146 341 G CA 0.740 45.884 45.100 0.073 0.000 0.769 341 G HN 0.103 nan 8.290 nan 0.000 0.547 342 M N 0.773 120.385 119.600 0.020 0.000 2.213 342 M HA 0.015 4.495 4.480 -0.000 0.000 0.263 342 M C 2.523 178.993 176.300 0.284 0.000 1.062 342 M CA 1.242 56.566 55.300 0.039 0.000 1.105 342 M CB -0.036 32.404 32.600 -0.267 0.000 1.385 342 M HN 0.272 nan 8.290 nan 0.000 0.417 343 A N 0.440 123.458 122.820 0.330 0.000 2.359 343 A HA 0.446 4.766 4.320 -0.000 0.000 0.240 343 A C 1.134 178.778 177.584 0.099 0.000 1.306 343 A CA 0.434 52.611 52.037 0.234 0.000 0.898 343 A CB -1.032 17.994 19.000 0.043 0.000 0.956 343 A HN 0.637 nan 8.150 nan 0.000 0.497 344 G N -1.238 107.629 108.800 0.111 0.000 2.546 344 G HA2 0.274 4.233 3.960 -0.000 0.000 0.285 344 G HA3 0.274 4.233 3.960 -0.000 0.000 0.285 344 G C 0.231 175.164 174.900 0.054 0.000 1.105 344 G CA 0.123 45.267 45.100 0.073 0.000 1.189 344 G HN 1.596 nan 8.290 nan 0.000 0.534 345 G N -0.794 108.043 108.800 0.062 0.000 2.696 345 G HA2 0.969 4.928 3.960 -0.000 0.000 0.295 345 G HA3 0.969 4.928 3.960 -0.000 0.000 0.295 345 G C 0.136 175.071 174.900 0.058 0.000 1.398 345 G CA 0.249 45.378 45.100 0.050 0.000 0.920 345 G HN 1.710 nan 8.290 nan 0.000 0.492 346 A N -0.499 122.351 122.820 0.050 0.000 2.429 346 A HA 0.627 4.947 4.320 -0.000 0.000 0.242 346 A C 0.429 178.059 177.584 0.077 0.000 1.088 346 A CA 0.414 52.483 52.037 0.054 0.000 0.784 346 A CB 0.440 19.463 19.000 0.039 0.000 1.038 346 A HN 2.134 nan 8.150 nan 0.000 0.501 347 V N -0.464 119.507 119.914 0.094 0.000 2.577 347 V HA 0.634 4.754 4.120 -0.000 0.000 0.294 347 V C -0.701 175.500 176.094 0.179 0.000 1.052 347 V CA -0.514 61.870 62.300 0.141 0.000 0.891 347 V CB 0.651 32.585 31.823 0.185 0.000 1.017 347 V HN 1.133 nan 8.190 nan 0.000 0.436 348 H N 4.185 123.278 119.070 0.039 0.000 2.864 348 H HA 0.880 5.436 4.556 -0.000 0.000 0.354 348 H C -1.381 173.930 175.328 -0.029 0.000 1.208 348 H CA -1.079 54.971 56.048 0.003 0.000 1.191 348 H CB 2.578 32.334 29.762 -0.009 0.000 1.889 348 H HN 0.858 nan 8.280 nan 0.000 0.574 349 I N 3.160 123.523 120.570 -0.344 0.000 2.538 349 I HA -0.033 4.137 4.170 -0.000 0.000 0.248 349 I C -1.891 173.835 176.117 -0.652 0.000 1.403 349 I CA -0.361 60.642 61.300 -0.496 0.000 1.312 349 I CB 0.502 38.278 38.000 -0.374 0.000 1.684 349 I HN 0.593 nan 8.210 nan 0.000 0.417 350 D N 6.166 126.193 120.400 -0.623 0.000 2.416 350 D HA 0.137 4.777 4.640 -0.000 0.000 0.240 350 D C 0.608 176.788 176.300 -0.200 0.000 1.250 350 D CA 0.225 54.030 54.000 -0.324 0.000 0.967 350 D CB 0.334 40.995 40.800 -0.233 0.000 1.059 350 D HN 0.423 nan 8.370 nan 0.000 0.512 351 Y N 2.116 122.407 120.300 -0.016 0.000 2.736 351 Y HA -0.107 4.443 4.550 -0.000 0.000 0.298 351 Y C 1.742 177.657 175.900 0.024 0.000 1.156 351 Y CA 0.457 58.563 58.100 0.010 0.000 1.384 351 Y CB -0.532 37.945 38.460 0.030 0.000 0.976 351 Y HN 0.396 nan 8.280 nan 0.000 0.556 352 N N -1.641 117.132 118.700 0.123 0.000 2.322 352 N HA 0.038 4.778 4.740 -0.000 0.000 0.194 352 N C 0.288 175.836 175.510 0.064 0.000 1.126 352 N CA 0.327 53.440 53.050 0.107 0.000 0.845 352 N CB 0.036 38.578 38.487 0.091 0.000 0.976 352 N HN 0.172 nan 8.380 nan 0.000 0.475 353 C N -1.042 118.273 119.300 0.025 0.000 3.491 353 C HA 0.370 4.830 4.460 -0.000 0.000 0.298 353 C C 0.527 175.517 174.990 -0.000 0.000 1.424 353 C CA -0.751 58.263 59.018 -0.008 0.000 1.772 353 C CB -0.623 27.082 27.740 -0.059 0.000 2.447 353 C HN 0.161 nan 8.230 nan 0.000 0.670 354 V N 4.530 124.468 119.914 0.040 0.000 2.389 354 V HA 0.381 4.501 4.120 -0.000 0.000 0.264 354 V C -2.416 173.721 176.094 0.073 0.000 1.049 354 V CA -1.488 60.859 62.300 0.078 0.000 0.932 354 V CB 0.855 32.739 31.823 0.101 0.000 1.011 354 V HN 0.197 nan 8.190 nan 0.000 0.475 355 P HA 0.337 nan 4.420 nan 0.000 0.272 355 P C -0.895 176.334 177.300 -0.118 0.000 1.240 355 P CA -0.107 62.937 63.100 -0.093 0.000 0.791 355 P CB 0.634 32.236 31.700 -0.162 0.000 0.978 356 S N -0.184 115.193 115.700 -0.538 0.000 2.538 356 S HA 0.576 5.046 4.470 -0.000 0.000 0.288 356 S C -0.878 173.222 174.600 -0.834 0.000 1.108 356 S CA -0.535 57.231 58.200 -0.723 0.000 0.971 356 S CB 1.172 63.643 63.200 -1.215 0.000 1.041 356 S HN 0.141 nan 8.310 nan 0.000 0.483 357 V N 3.788 123.390 119.914 -0.521 0.000 2.735 357 V HA 0.578 4.698 4.120 -0.000 0.000 0.310 357 V C -0.862 174.981 176.094 -0.417 0.000 1.061 357 V CA -0.649 61.318 62.300 -0.554 0.000 0.913 357 V CB 1.889 33.293 31.823 -0.698 0.000 1.005 357 V HN 0.813 nan 8.190 nan 0.000 0.428 358 I N 3.877 124.203 120.570 -0.406 0.000 2.382 358 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 358 I C -0.609 175.374 176.117 -0.223 0.000 1.007 358 I CA -0.457 60.753 61.300 -0.150 0.000 1.142 358 I CB 1.452 39.411 38.000 -0.069 0.000 1.289 358 I HN 0.630 nan 8.210 nan 0.000 0.453 359 Y N 3.975 124.267 120.300 -0.014 0.000 2.506 359 Y HA 0.016 4.566 4.550 -0.000 0.000 0.333 359 Y C 1.747 177.655 175.900 0.013 0.000 1.177 359 Y CA -0.464 57.623 58.100 -0.022 0.000 1.292 359 Y CB -0.864 37.581 38.460 -0.025 0.000 1.124 359 Y HN 0.534 nan 8.280 nan 0.000 0.507 360 T N -2.958 111.689 114.554 0.156 0.000 2.753 360 T HA 0.189 4.539 4.350 -0.000 0.000 0.309 360 T C -0.584 174.178 174.700 0.102 0.000 1.043 360 T CA -0.503 61.715 62.100 0.197 0.000 0.964 360 T CB 0.873 69.964 68.868 0.372 0.000 1.206 360 T HN 0.365 nan 8.240 nan 0.000 0.528 361 H N 1.183 120.271 119.070 0.030 0.000 3.108 361 H HA 0.418 4.974 4.556 -0.000 0.000 0.329 361 H C -2.686 172.677 175.328 0.058 0.000 0.978 361 H CA -1.668 54.329 56.048 -0.084 0.000 1.413 361 H CB 1.339 30.880 29.762 -0.368 0.000 1.670 361 H HN 0.475 nan 8.280 nan 0.000 0.512 362 P HA -0.003 nan 4.420 nan 0.000 0.267 362 P C -0.391 176.788 177.300 -0.201 0.000 1.200 362 P CA 0.001 62.922 63.100 -0.297 0.000 0.772 362 P CB 1.532 33.168 31.700 -0.107 0.000 0.855 363 E N 0.164 120.163 120.200 -0.336 0.000 2.345 363 E HA 0.392 4.742 4.350 -0.000 0.000 0.259 363 E C -0.545 175.860 176.600 -0.325 0.000 1.117 363 E CA -0.842 55.381 56.400 -0.296 0.000 0.913 363 E CB 0.889 30.400 29.700 -0.316 0.000 1.057 363 E HN 0.208 nan 8.360 nan 0.000 0.432 364 V N 0.365 120.065 119.914 -0.357 0.000 2.760 364 V HA 0.754 4.874 4.120 -0.000 0.000 0.309 364 V C -0.826 175.159 176.094 -0.181 0.000 1.077 364 V CA -0.766 61.369 62.300 -0.276 0.000 0.910 364 V CB 1.622 33.172 31.823 -0.455 0.000 1.008 364 V HN 0.783 nan 8.190 nan 0.000 0.424 365 A N 3.678 126.484 122.820 -0.022 0.000 2.589 365 A HA 0.995 5.315 4.320 -0.000 0.000 0.296 365 A C -1.814 175.829 177.584 0.099 0.000 1.062 365 A CA -0.582 51.363 52.037 -0.153 0.000 0.686 365 A CB 1.712 20.557 19.000 -0.257 0.000 1.282 365 A HN 1.838 nan 8.150 nan 0.000 0.404 366 W N -0.017 121.232 121.300 -0.085 0.000 3.059 366 W HA 0.735 5.395 4.660 -0.000 0.000 0.329 366 W C -2.079 174.388 176.519 -0.087 0.000 1.246 366 W CA -1.021 56.264 57.345 -0.100 0.000 1.190 366 W CB 0.892 30.384 29.460 0.053 0.000 1.423 366 W HN 1.163 nan 8.180 nan 0.000 0.571 367 V N 2.567 122.535 119.914 0.089 0.000 3.048 367 V HA 0.845 4.965 4.120 -0.000 0.000 0.303 367 V C 0.282 176.428 176.094 0.086 0.000 1.214 367 V CA 0.432 62.770 62.300 0.063 0.000 0.984 367 V CB 1.351 33.157 31.823 -0.028 0.000 1.054 367 V HN 2.319 nan 8.190 nan 0.000 0.430 368 G N 5.132 114.005 108.800 0.123 0.000 2.499 368 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.232 368 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.232 368 G C -0.573 174.423 174.900 0.160 0.000 1.251 368 G CA 0.216 45.380 45.100 0.107 0.000 0.917 368 G HN 0.962 nan 8.290 nan 0.000 0.580 369 K N 0.523 120.999 120.400 0.128 0.000 2.156 369 K HA 0.644 4.964 4.320 -0.000 0.000 0.254 369 K C 0.662 177.361 176.600 0.164 0.000 0.950 369 K CA 0.039 56.400 56.287 0.124 0.000 0.849 369 K CB 1.673 34.211 32.500 0.064 0.000 1.100 369 K HN 0.879 nan 8.250 nan 0.000 0.434 370 S N 0.303 116.020 115.700 0.028 0.000 2.681 370 S HA 0.151 4.621 4.470 -0.000 0.000 0.270 370 S C 0.904 175.358 174.600 -0.244 0.000 1.209 370 S CA -0.643 57.431 58.200 -0.210 0.000 0.988 370 S CB 1.161 64.149 63.200 -0.354 0.000 1.006 370 S HN 0.639 nan 8.310 nan 0.000 0.558 371 E N 0.570 120.560 120.200 -0.351 0.000 2.110 371 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 371 E C 1.715 178.218 176.600 -0.161 0.000 0.988 371 E CA 1.503 57.694 56.400 -0.347 0.000 0.804 371 E CB -0.155 29.387 29.700 -0.263 0.000 0.745 371 E HN 0.696 nan 8.360 nan 0.000 0.458 372 E N 0.821 120.930 120.200 -0.151 0.000 2.072 372 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 372 E C 2.028 178.602 176.600 -0.043 0.000 0.985 372 E CA 1.000 57.350 56.400 -0.084 0.000 0.801 372 E CB -0.122 29.507 29.700 -0.119 0.000 0.750 372 E HN 0.266 nan 8.360 nan 0.000 0.452 373 Q N 0.098 119.864 119.800 -0.058 0.000 2.084 373 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 373 Q C 2.246 178.258 176.000 0.019 0.000 0.978 373 Q CA 1.047 56.842 55.803 -0.013 0.000 0.844 373 Q CB -0.194 28.541 28.738 -0.005 0.000 0.898 373 Q HN 0.289 nan 8.270 nan 0.000 0.426 374 L N 0.647 121.877 121.223 0.012 0.000 2.017 374 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 374 L C 2.321 179.291 176.870 0.167 0.000 1.073 374 L CA 1.378 56.276 54.840 0.097 0.000 0.745 374 L CB -0.451 41.645 42.059 0.062 0.000 0.894 374 L HN 0.179 nan 8.230 nan 0.000 0.432 375 K N 0.082 120.591 120.400 0.181 0.000 2.063 375 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 375 K C 2.004 178.647 176.600 0.071 0.000 1.048 375 K CA 1.846 58.216 56.287 0.139 0.000 0.928 375 K CB -0.177 32.389 32.500 0.111 0.000 0.713 375 K HN 0.201 nan 8.250 nan 0.000 0.442 376 E N 1.787 122.018 120.200 0.051 0.000 2.085 376 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 376 E C 1.293 177.915 176.600 0.038 0.000 0.994 376 E CA 1.657 58.077 56.400 0.033 0.000 0.801 376 E CB -0.003 29.710 29.700 0.022 0.000 0.743 376 E HN 0.303 nan 8.360 nan 0.000 0.453 377 E N -1.093 119.136 120.200 0.049 0.000 2.481 377 E HA 0.108 4.457 4.350 -0.000 0.000 0.195 377 E C 0.954 177.585 176.600 0.051 0.000 1.047 377 E CA 0.389 56.818 56.400 0.049 0.000 0.867 377 E CB 0.081 29.814 29.700 0.056 0.000 0.858 377 E HN 0.500 nan 8.360 nan 0.000 0.513 378 G N 1.298 110.131 108.800 0.055 0.000 2.162 378 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 378 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 378 G C 0.270 175.201 174.900 0.050 0.000 0.976 378 G CA -0.049 45.076 45.100 0.042 0.000 0.655 378 G HN 0.171 nan 8.290 nan 0.000 0.533 379 I N 1.195 121.818 120.570 0.088 0.000 2.533 379 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 379 I C 0.867 177.053 176.117 0.116 0.000 1.109 379 I CA -0.220 61.144 61.300 0.108 0.000 1.412 379 I CB 0.607 38.693 38.000 0.142 0.000 1.396 379 I HN 0.230 nan 8.210 nan 0.000 0.543 380 E N 5.911 126.138 120.200 0.044 0.000 2.313 380 E HA 0.383 4.733 4.350 -0.000 0.000 0.276 380 E C -1.202 175.413 176.600 0.024 0.000 1.031 380 E CA -0.242 56.123 56.400 -0.058 0.000 0.857 380 E CB 1.047 30.709 29.700 -0.063 0.000 1.040 380 E HN 0.477 nan 8.360 nan 0.000 0.408 381 Y N 0.407 120.712 120.300 0.010 0.000 2.689 381 Y HA 0.549 5.099 4.550 -0.000 0.000 0.333 381 Y C -1.373 174.533 175.900 0.009 0.000 1.190 381 Y CA -1.477 56.632 58.100 0.014 0.000 1.063 381 Y CB 0.751 39.224 38.460 0.021 0.000 1.294 381 Y HN 0.311 nan 8.280 nan 0.000 0.466 382 K N 0.538 121.131 120.400 0.321 0.000 2.443 382 K HA 0.859 5.179 4.320 -0.000 0.000 0.251 382 K C -1.946 174.803 176.600 0.249 0.000 0.972 382 K CA -1.131 55.282 56.287 0.209 0.000 0.833 382 K CB 2.796 35.351 32.500 0.091 0.000 1.317 382 K HN 0.502 nan 8.250 nan 0.000 0.441 383 V N 0.777 120.798 119.914 0.178 0.000 2.495 383 V HA 0.598 4.718 4.120 -0.000 0.000 0.298 383 V C -0.097 176.048 176.094 0.086 0.000 1.031 383 V CA -0.653 61.724 62.300 0.129 0.000 0.871 383 V CB 1.677 33.580 31.823 0.133 0.000 0.988 383 V HN 0.957 nan 8.190 nan 0.000 0.432 384 G N 3.715 112.558 108.800 0.071 0.000 2.487 384 G HA2 0.686 4.646 3.960 -0.000 0.000 0.314 384 G HA3 0.686 4.646 3.960 -0.000 0.000 0.314 384 G C -0.874 174.071 174.900 0.074 0.000 1.267 384 G CA -0.608 44.533 45.100 0.068 0.000 0.937 384 G HN 0.617 nan 8.290 nan 0.000 0.481 385 K N 1.306 121.766 120.400 0.099 0.000 2.378 385 K HA 0.540 4.860 4.320 -0.000 0.000 0.252 385 K C -1.931 174.744 176.600 0.125 0.000 0.931 385 K CA -0.767 55.570 56.287 0.083 0.000 0.794 385 K CB 2.851 35.381 32.500 0.051 0.000 1.181 385 K HN 0.391 nan 8.250 nan 0.000 0.425 386 F N 4.680 124.548 119.950 -0.136 0.000 2.579 386 F HA 0.335 4.862 4.527 -0.000 0.000 0.325 386 F C -2.483 173.068 175.800 -0.415 0.000 1.162 386 F CA -2.081 55.776 58.000 -0.237 0.000 0.946 386 F CB 1.699 40.577 39.000 -0.202 0.000 1.211 386 F HN 0.316 nan 8.300 nan 0.000 0.447 387 P HA 0.113 nan 4.420 nan 0.000 0.280 387 P C 0.411 177.386 177.300 -0.543 0.000 1.244 387 P CA -0.015 62.670 63.100 -0.691 0.000 0.784 387 P CB 0.865 32.070 31.700 -0.825 0.000 0.913 388 F N 2.140 122.014 119.950 -0.128 0.000 2.408 388 F HA -0.083 4.444 4.527 -0.000 0.000 0.300 388 F C 2.518 178.289 175.800 -0.048 0.000 1.090 388 F CA 1.425 59.419 58.000 -0.010 0.000 1.427 388 F CB -1.103 37.902 39.000 0.009 0.000 1.070 388 F HN 0.367 nan 8.300 nan 0.000 0.549 389 A N -0.383 122.439 122.820 0.003 0.000 2.125 389 A HA 0.088 4.408 4.320 -0.000 0.000 0.219 389 A C 2.177 179.732 177.584 -0.049 0.000 1.156 389 A CA 1.490 53.513 52.037 -0.024 0.000 0.671 389 A CB -0.801 18.148 19.000 -0.085 0.000 0.794 389 A HN 0.249 nan 8.150 nan 0.000 0.459 390 A N -0.814 121.908 122.820 -0.163 0.000 2.390 390 A HA 0.190 4.510 4.320 -0.000 0.000 0.232 390 A C 0.724 178.459 177.584 0.252 0.000 1.233 390 A CA -0.230 51.771 52.037 -0.059 0.000 0.907 390 A CB -0.203 18.562 19.000 -0.392 0.000 0.967 390 A HN 0.465 nan 8.150 nan 0.000 0.512 391 N N 0.488 119.373 118.700 0.309 0.000 2.422 391 N HA 0.111 4.851 4.740 -0.000 0.000 0.264 391 N C 0.594 176.237 175.510 0.222 0.000 1.063 391 N CA 0.228 53.497 53.050 0.364 0.000 0.959 391 N CB 1.088 39.831 38.487 0.427 0.000 1.087 391 N HN 0.083 nan 8.380 nan 0.000 0.483 392 S N 3.749 119.552 115.700 0.171 0.000 2.368 392 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 392 S C 1.741 176.364 174.600 0.039 0.000 1.044 392 S CA 1.354 59.607 58.200 0.088 0.000 1.062 392 S CB -0.152 63.059 63.200 0.018 0.000 0.931 392 S HN 0.695 nan 8.310 nan 0.000 0.440 393 R N 0.759 121.267 120.500 0.013 0.000 2.073 393 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 393 R C 2.464 178.798 176.300 0.056 0.000 1.134 393 R CA 1.334 57.443 56.100 0.014 0.000 0.952 393 R CB -0.567 29.738 30.300 0.008 0.000 0.850 393 R HN 0.380 nan 8.270 nan 0.000 0.433 394 A N 1.119 124.002 122.820 0.105 0.000 1.892 394 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 394 A C 2.085 179.722 177.584 0.090 0.000 1.188 394 A CA 2.091 54.187 52.037 0.099 0.000 0.631 394 A CB -0.508 18.611 19.000 0.198 0.000 0.822 394 A HN 0.302 nan 8.150 nan 0.000 0.447 395 K N -0.839 119.622 120.400 0.101 0.000 2.097 395 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 395 K C 1.948 178.586 176.600 0.064 0.000 1.050 395 K CA 1.940 58.276 56.287 0.083 0.000 0.938 395 K CB -0.585 31.968 32.500 0.089 0.000 0.718 395 K HN 0.435 nan 8.250 nan 0.000 0.442 396 T N 0.876 115.463 114.554 0.054 0.000 2.867 396 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 396 T C 1.159 175.881 174.700 0.037 0.000 1.057 396 T CA 1.388 63.512 62.100 0.039 0.000 1.136 396 T CB -0.253 68.629 68.868 0.024 0.000 0.874 396 T HN 0.236 nan 8.240 nan 0.000 0.466 397 N N 0.869 119.595 118.700 0.045 0.000 2.467 397 N HA 0.290 5.030 4.740 -0.000 0.000 0.184 397 N C 0.960 176.508 175.510 0.064 0.000 1.106 397 N CA 0.602 53.683 53.050 0.051 0.000 0.892 397 N CB -0.150 38.372 38.487 0.058 0.000 0.969 397 N HN 0.403 nan 8.380 nan 0.000 0.454 398 A N 0.617 123.475 122.820 0.064 0.000 2.791 398 A HA -0.210 4.110 4.320 -0.000 0.000 0.292 398 A C -0.148 177.491 177.584 0.092 0.000 1.487 398 A CA 1.026 53.105 52.037 0.071 0.000 0.760 398 A CB -2.023 17.014 19.000 0.062 0.000 1.031 398 A HN 0.304 nan 8.150 nan 0.000 0.503 399 D N -0.195 120.259 120.400 0.091 0.000 2.400 399 D HA 0.468 5.108 4.640 -0.000 0.000 0.272 399 D C 0.955 177.288 176.300 0.055 0.000 1.220 399 D CA 0.521 54.584 54.000 0.105 0.000 0.897 399 D CB 0.313 41.192 40.800 0.132 0.000 1.134 399 D HN 0.528 nan 8.370 nan 0.000 0.507 400 T N -1.284 113.315 114.554 0.075 0.000 3.134 400 T HA 0.211 4.561 4.350 -0.000 0.000 0.260 400 T C 0.362 175.125 174.700 0.105 0.000 1.027 400 T CA -0.583 61.574 62.100 0.094 0.000 0.913 400 T CB 0.062 68.985 68.868 0.092 0.000 1.046 400 T HN 0.002 nan 8.240 nan 0.000 0.553 401 D N 2.148 122.590 120.400 0.069 0.000 2.443 401 D HA 0.486 5.126 4.640 -0.000 0.000 0.239 401 D C 1.195 177.581 176.300 0.143 0.000 1.136 401 D CA 1.616 55.665 54.000 0.081 0.000 0.879 401 D CB 0.838 41.673 40.800 0.059 0.000 1.195 401 D HN 0.623 nan 8.370 nan 0.000 0.443 402 G N 0.501 109.395 108.800 0.157 0.000 2.587 402 G HA2 0.099 4.059 3.960 -0.000 0.000 0.212 402 G HA3 0.099 4.059 3.960 -0.000 0.000 0.212 402 G C -0.471 174.559 174.900 0.215 0.000 1.327 402 G CA -0.005 45.229 45.100 0.223 0.000 0.898 402 G HN 0.789 nan 8.290 nan 0.000 0.551 403 M N -3.447 116.269 119.600 0.193 0.000 3.196 403 M HA 0.728 5.208 4.480 -0.000 0.000 0.279 403 M C -1.484 174.751 176.300 -0.109 0.000 1.173 403 M CA -1.168 54.049 55.300 -0.138 0.000 0.820 403 M CB 1.615 34.146 32.600 -0.116 0.000 1.621 403 M HN 1.127 nan 8.290 nan 0.000 0.521 404 V N 1.348 121.151 119.914 -0.185 0.000 2.495 404 V HA 0.651 4.771 4.120 -0.000 0.000 0.298 404 V C -0.880 175.239 176.094 0.041 0.000 1.031 404 V CA -0.459 61.832 62.300 -0.016 0.000 0.871 404 V CB 1.892 33.710 31.823 -0.007 0.000 0.988 404 V HN 0.759 nan 8.190 nan 0.000 0.432 405 K N 4.902 125.363 120.400 0.102 0.000 2.376 405 K HA 0.632 4.952 4.320 -0.000 0.000 0.257 405 K C -1.527 175.148 176.600 0.126 0.000 0.939 405 K CA -0.626 55.721 56.287 0.101 0.000 0.809 405 K CB 1.361 33.921 32.500 0.099 0.000 1.121 405 K HN 0.466 nan 8.250 nan 0.000 0.425 406 I N 5.572 126.190 120.570 0.080 0.000 2.441 406 I HA 0.364 4.534 4.170 -0.000 0.000 0.295 406 I C -0.486 175.662 176.117 0.051 0.000 0.994 406 I CA -0.873 60.461 61.300 0.056 0.000 1.144 406 I CB 1.569 39.561 38.000 -0.013 0.000 1.314 406 I HN 0.599 nan 8.210 nan 0.000 0.445 407 L N 5.191 126.439 121.223 0.040 0.000 2.325 407 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 407 L C 0.240 177.133 176.870 0.039 0.000 1.004 407 L CA -0.409 54.436 54.840 0.008 0.000 0.823 407 L CB 1.939 43.940 42.059 -0.097 0.000 1.236 407 L HN 0.698 nan 8.230 nan 0.000 0.415 408 G N 1.487 110.338 108.800 0.085 0.000 2.571 408 G HA2 0.324 4.284 3.960 -0.000 0.000 0.304 408 G HA3 0.324 4.284 3.960 -0.000 0.000 0.304 408 G C -1.306 173.673 174.900 0.132 0.000 1.314 408 G CA -0.419 44.734 45.100 0.089 0.000 0.975 408 G HN 0.388 nan 8.290 nan 0.000 0.485 409 Q N 0.418 120.283 119.800 0.109 0.000 2.286 409 Q HA -0.020 4.320 4.340 -0.000 0.000 0.290 409 Q C 1.393 177.441 176.000 0.080 0.000 1.049 409 Q CA 0.051 55.918 55.803 0.107 0.000 0.923 409 Q CB 1.142 29.927 28.738 0.078 0.000 1.183 409 Q HN 0.666 nan 8.270 nan 0.000 0.383 410 K N 2.041 122.481 120.400 0.066 0.000 2.228 410 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 410 K C 1.658 178.270 176.600 0.020 0.000 1.045 410 K CA 2.278 58.581 56.287 0.027 0.000 0.931 410 K CB 0.116 32.608 32.500 -0.013 0.000 0.727 410 K HN 0.616 nan 8.250 nan 0.000 0.458 411 S N -2.527 113.188 115.700 0.025 0.000 2.691 411 S HA -0.034 4.436 4.470 -0.000 0.000 0.241 411 S C 1.866 176.481 174.600 0.026 0.000 1.077 411 S CA 0.364 58.576 58.200 0.020 0.000 0.900 411 S CB -0.382 62.827 63.200 0.015 0.000 0.805 411 S HN 0.343 nan 8.310 nan 0.000 0.529 412 T N -0.918 113.656 114.554 0.033 0.000 3.160 412 T HA 0.117 4.467 4.350 -0.000 0.000 0.257 412 T C 0.673 175.395 174.700 0.037 0.000 1.147 412 T CA 1.027 63.147 62.100 0.034 0.000 1.064 412 T CB -0.757 68.133 68.868 0.037 0.000 0.949 412 T HN 0.423 nan 8.240 nan 0.000 0.526 413 D N 0.574 120.998 120.400 0.041 0.000 3.070 413 D HA -0.220 4.420 4.640 -0.000 0.000 0.220 413 D C 0.228 176.554 176.300 0.043 0.000 1.176 413 D CA 0.844 54.869 54.000 0.041 0.000 0.924 413 D CB -1.299 39.523 40.800 0.036 0.000 1.124 413 D HN 0.738 nan 8.370 nan 0.000 0.411 414 R N -0.331 120.198 120.500 0.048 0.000 2.543 414 R HA 0.372 4.711 4.340 -0.000 0.000 0.277 414 R C -0.315 176.017 176.300 0.053 0.000 1.074 414 R CA -0.449 55.682 56.100 0.051 0.000 1.076 414 R CB 0.745 31.078 30.300 0.055 0.000 0.993 414 R HN -0.011 nan 8.270 nan 0.000 0.459 415 V N 7.225 127.170 119.914 0.052 0.000 2.439 415 V HA -0.001 4.119 4.120 -0.000 0.000 0.271 415 V C 1.229 177.357 176.094 0.056 0.000 1.040 415 V CA 0.216 62.546 62.300 0.050 0.000 1.002 415 V CB 0.964 32.820 31.823 0.055 0.000 1.000 415 V HN 0.813 nan 8.190 nan 0.000 0.477 416 L N 4.069 125.323 121.223 0.052 0.000 2.253 416 L HA 0.459 4.799 4.340 -0.000 0.000 0.205 416 L C 1.087 177.984 176.870 0.045 0.000 1.078 416 L CA 0.859 55.730 54.840 0.051 0.000 0.805 416 L CB 0.044 42.133 42.059 0.049 0.000 0.963 416 L HN 0.780 nan 8.230 nan 0.000 0.459 417 G N -0.560 108.257 108.800 0.029 0.000 2.673 417 G HA2 0.654 4.614 3.960 -0.000 0.000 0.292 417 G HA3 0.654 4.614 3.960 -0.000 0.000 0.292 417 G C -2.052 172.780 174.900 -0.113 0.000 1.450 417 G CA 0.029 45.117 45.100 -0.019 0.000 0.837 417 G HN 0.041 nan 8.290 nan 0.000 0.505 418 A N 1.353 123.992 122.820 -0.302 0.000 2.374 418 A HA 0.844 5.164 4.320 -0.000 0.000 0.305 418 A C -1.118 176.148 177.584 -0.531 0.000 1.053 418 A CA -0.723 51.188 52.037 -0.211 0.000 0.726 418 A CB 1.233 20.304 19.000 0.119 0.000 1.229 418 A HN 0.747 nan 8.150 nan 0.000 0.431 419 H N 2.280 121.435 119.070 0.143 0.000 2.658 419 H HA 0.509 5.065 4.556 -0.000 0.000 0.337 419 H C -1.235 174.166 175.328 0.121 0.000 1.009 419 H CA -0.288 55.845 56.048 0.142 0.000 1.231 419 H CB 1.559 31.337 29.762 0.028 0.000 1.508 419 H HN 0.555 nan 8.280 nan 0.000 0.517 420 I N 3.806 124.496 120.570 0.199 0.000 2.436 420 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 420 I C -0.684 175.514 176.117 0.136 0.000 1.010 420 I CA -0.849 60.556 61.300 0.176 0.000 1.098 420 I CB 2.385 40.472 38.000 0.146 0.000 1.266 420 I HN 0.206 nan 8.210 nan 0.000 0.434 421 L N 6.593 127.918 121.223 0.170 0.000 2.377 421 L HA 0.966 5.306 4.340 -0.000 0.000 0.270 421 L C -0.141 176.824 176.870 0.158 0.000 0.991 421 L CA 0.446 55.330 54.840 0.073 0.000 0.851 421 L CB 0.965 43.058 42.059 0.057 0.000 1.218 421 L HN 0.840 nan 8.230 nan 0.000 0.420 422 G N 4.201 112.962 108.800 -0.064 0.000 2.352 422 G HA2 0.157 4.116 3.960 -0.000 0.000 0.283 422 G HA3 0.157 4.116 3.960 -0.000 0.000 0.283 422 G C -3.383 171.165 174.900 -0.586 0.000 1.308 422 G CA -0.508 44.400 45.100 -0.320 0.000 0.892 422 G HN 0.451 nan 8.290 nan 0.000 0.504 423 P HA 0.354 nan 4.420 nan 0.000 0.271 423 P C 1.082 178.095 177.300 -0.479 0.000 1.216 423 P CA 1.767 64.520 63.100 -0.579 0.000 0.776 423 P CB 1.006 32.439 31.700 -0.446 0.000 0.881 424 G N 2.532 111.171 108.800 -0.268 0.000 2.189 424 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.267 424 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.267 424 G C 1.207 176.015 174.900 -0.154 0.000 0.975 424 G CA 0.792 45.793 45.100 -0.166 0.000 0.644 424 G HN 0.710 nan 8.290 nan 0.000 0.537 425 A N 0.296 123.003 122.820 -0.187 0.000 1.896 425 A HA 0.077 4.397 4.320 -0.000 0.000 0.220 425 A C 3.014 180.475 177.584 -0.204 0.000 1.206 425 A CA 2.813 54.762 52.037 -0.147 0.000 0.647 425 A CB -1.323 17.585 19.000 -0.154 0.000 0.828 425 A HN 1.792 nan 8.150 nan 0.000 0.455 426 G N -0.883 107.754 108.800 -0.272 0.000 2.469 426 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 426 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 426 G C 1.418 176.196 174.900 -0.204 0.000 1.150 426 G CA 1.213 46.122 45.100 -0.319 0.000 0.763 426 G HN 0.552 nan 8.290 nan 0.000 0.561 427 E N -0.323 119.792 120.200 -0.142 0.000 2.122 427 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 427 E C 2.365 178.882 176.600 -0.138 0.000 0.977 427 E CA 0.244 56.578 56.400 -0.110 0.000 0.820 427 E CB -0.394 29.267 29.700 -0.065 0.000 0.770 427 E HN 0.504 nan 8.360 nan 0.000 0.462 428 M N 0.790 120.302 119.600 -0.148 0.000 2.202 428 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 428 M C 2.172 178.280 176.300 -0.321 0.000 1.063 428 M CA 0.942 56.121 55.300 -0.202 0.000 1.097 428 M CB 0.033 32.548 32.600 -0.140 0.000 1.382 428 M HN -0.043 nan 8.290 nan 0.000 0.413 429 V N 1.359 121.114 119.914 -0.265 0.000 2.594 429 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 429 V C 1.710 177.658 176.094 -0.243 0.000 1.069 429 V CA 1.822 63.961 62.300 -0.269 0.000 1.082 429 V CB -0.771 30.912 31.823 -0.234 0.000 0.680 429 V HN 0.575 nan 8.190 nan 0.000 0.469 430 N N -0.138 118.436 118.700 -0.211 0.000 2.396 430 N HA -0.158 4.581 4.740 -0.000 0.000 0.180 430 N C 1.759 177.181 175.510 -0.147 0.000 1.028 430 N CA 1.267 54.218 53.050 -0.164 0.000 0.893 430 N CB -0.046 38.357 38.487 -0.139 0.000 0.967 430 N HN 0.673 nan 8.380 nan 0.000 0.440 431 E N 1.036 121.118 120.200 -0.197 0.000 2.152 431 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 431 E C 1.777 178.311 176.600 -0.109 0.000 0.983 431 E CA 0.509 56.825 56.400 -0.140 0.000 0.818 431 E CB 0.141 29.736 29.700 -0.174 0.000 0.758 431 E HN 0.268 nan 8.360 nan 0.000 0.467 432 A N 1.281 123.948 122.820 -0.256 0.000 1.898 432 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 432 A C 2.396 179.977 177.584 -0.005 0.000 1.181 432 A CA 1.522 53.523 52.037 -0.060 0.000 0.620 432 A CB -0.683 18.230 19.000 -0.145 0.000 0.819 432 A HN 0.371 nan 8.150 nan 0.000 0.442 433 A N -0.433 122.345 122.820 -0.071 0.000 1.908 433 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 433 A C 2.145 179.686 177.584 -0.073 0.000 1.181 433 A CA 1.832 53.830 52.037 -0.066 0.000 0.627 433 A CB -0.638 18.308 19.000 -0.090 0.000 0.818 433 A HN 0.653 nan 8.150 nan 0.000 0.445 434 L N -0.298 120.883 121.223 -0.071 0.000 2.017 434 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 434 L C 2.722 179.560 176.870 -0.053 0.000 1.073 434 L CA 2.219 56.996 54.840 -0.106 0.000 0.745 434 L CB -0.819 41.215 42.059 -0.042 0.000 0.894 434 L HN 0.344 nan 8.230 nan 0.000 0.432 435 A N -0.646 122.222 122.820 0.081 0.000 1.940 435 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 435 A C 2.282 179.939 177.584 0.122 0.000 1.176 435 A CA 2.084 54.223 52.037 0.169 0.000 0.631 435 A CB -0.909 18.234 19.000 0.239 0.000 0.814 435 A HN 0.515 nan 8.150 nan 0.000 0.446 436 L N -1.328 119.932 121.223 0.062 0.000 2.156 436 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 436 L C 2.414 179.288 176.870 0.007 0.000 1.095 436 L CA 1.416 56.282 54.840 0.044 0.000 0.770 436 L CB -0.322 41.753 42.059 0.025 0.000 0.914 436 L HN 0.398 nan 8.230 nan 0.000 0.439 437 E N -0.815 119.337 120.200 -0.081 0.000 2.516 437 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 437 E C 0.653 177.165 176.600 -0.147 0.000 1.069 437 E CA 0.787 57.090 56.400 -0.161 0.000 0.876 437 E CB 0.156 29.681 29.700 -0.291 0.000 0.843 437 E HN 0.386 nan 8.360 nan 0.000 0.530 438 Y N -1.319 118.998 120.300 0.028 0.000 2.557 438 Y HA 0.337 4.887 4.550 -0.000 0.000 0.247 438 Y C 1.229 177.148 175.900 0.032 0.000 1.164 438 Y CA -0.177 57.940 58.100 0.029 0.000 1.218 438 Y CB 0.823 39.300 38.460 0.028 0.000 1.210 438 Y HN 0.039 nan 8.280 nan 0.000 0.529 439 G N 1.151 110.050 108.800 0.166 0.000 2.305 439 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.287 439 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.287 439 G C 0.564 175.532 174.900 0.113 0.000 1.036 439 G CA 0.189 45.359 45.100 0.117 0.000 0.887 439 G HN 0.645 nan 8.290 nan 0.000 0.505 440 A N -0.294 122.605 122.820 0.133 0.000 2.507 440 A HA 0.667 4.987 4.320 -0.000 0.000 0.235 440 A C 1.082 178.709 177.584 0.072 0.000 1.070 440 A CA 0.986 53.087 52.037 0.107 0.000 0.768 440 A CB 0.340 19.419 19.000 0.130 0.000 1.011 440 A HN 2.092 nan 8.150 nan 0.000 0.502 441 S N -0.164 115.567 115.700 0.051 0.000 2.681 441 S HA 0.339 4.809 4.470 -0.000 0.000 0.299 441 S C 0.962 175.571 174.600 0.015 0.000 1.113 441 S CA -0.170 58.051 58.200 0.035 0.000 1.013 441 S CB 0.845 64.064 63.200 0.031 0.000 1.076 441 S HN 0.736 nan 8.310 nan 0.000 0.534 442 C N 0.729 120.031 119.300 0.003 0.000 2.413 442 C HA -0.057 4.402 4.460 -0.000 0.000 0.277 442 C C 2.686 177.657 174.990 -0.032 0.000 1.265 442 C CA 1.242 60.241 59.018 -0.032 0.000 1.752 442 C CB -1.537 26.192 27.740 -0.019 0.000 1.998 442 C HN 1.079 nan 8.230 nan 0.000 0.489 443 E N 0.914 121.114 120.200 -0.001 0.000 2.077 443 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 443 E C 1.516 178.113 176.600 -0.005 0.000 0.989 443 E CA 1.390 57.792 56.400 0.002 0.000 0.800 443 E CB -0.113 29.597 29.700 0.018 0.000 0.746 443 E HN 0.551 nan 8.360 nan 0.000 0.452 444 D N 0.664 121.067 120.400 0.005 0.000 2.127 444 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 444 D C 2.062 178.374 176.300 0.020 0.000 1.000 444 D CA 1.400 55.408 54.000 0.012 0.000 0.839 444 D CB -0.408 40.409 40.800 0.028 0.000 0.955 444 D HN 0.317 nan 8.370 nan 0.000 0.446 445 I N 1.138 121.716 120.570 0.012 0.000 2.179 445 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 445 I C 2.510 178.641 176.117 0.023 0.000 1.088 445 I CA 1.130 62.445 61.300 0.026 0.000 1.357 445 I CB -0.358 37.583 38.000 -0.100 0.000 1.051 445 I HN -0.073 nan 8.210 nan 0.000 0.409 446 A N 0.729 123.516 122.820 -0.055 0.000 2.024 446 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 446 A C 2.277 179.855 177.584 -0.011 0.000 1.164 446 A CA 1.435 53.433 52.037 -0.064 0.000 0.643 446 A CB -0.545 18.413 19.000 -0.071 0.000 0.806 446 A HN 0.382 nan 8.150 nan 0.000 0.451 447 R N -0.795 119.708 120.500 0.005 0.000 2.310 447 R HA 0.168 4.508 4.340 -0.000 0.000 0.202 447 R C -0.482 175.835 176.300 0.029 0.000 0.933 447 R CA -0.116 55.987 56.100 0.005 0.000 1.054 447 R CB 0.113 30.407 30.300 -0.010 0.000 0.985 447 R HN 0.310 nan 8.270 nan 0.000 0.489 448 V N 1.202 121.162 119.914 0.076 0.000 2.498 448 V HA 0.020 4.140 4.120 -0.000 0.000 0.279 448 V C 0.489 176.633 176.094 0.084 0.000 1.048 448 V CA -0.901 61.425 62.300 0.045 0.000 0.967 448 V CB 1.443 33.280 31.823 0.023 0.000 0.988 448 V HN 0.275 nan 8.190 nan 0.000 0.473 449 C N 6.846 126.148 119.300 0.003 0.000 2.627 449 C HA 0.356 4.816 4.460 -0.000 0.000 0.404 449 C C 0.259 175.236 174.990 -0.021 0.000 1.340 449 C CA -0.215 58.824 59.018 0.035 0.000 1.758 449 C CB -1.575 26.168 27.740 0.005 0.000 2.501 449 C HN 0.906 nan 8.230 nan 0.000 0.588 450 H N 3.541 122.628 119.070 0.027 0.000 2.469 450 H HA 0.563 5.119 4.556 -0.000 0.000 0.342 450 H C 0.506 175.868 175.328 0.058 0.000 1.115 450 H CA 0.402 56.477 56.048 0.046 0.000 1.204 450 H CB 1.397 31.191 29.762 0.052 0.000 1.492 450 H HN 0.934 nan 8.280 nan 0.000 0.499 451 A N 2.261 125.170 122.820 0.149 0.000 2.520 451 A HA 0.160 4.480 4.320 -0.000 0.000 0.235 451 A C -0.399 177.286 177.584 0.167 0.000 1.065 451 A CA 0.290 52.402 52.037 0.126 0.000 0.764 451 A CB -0.297 18.751 19.000 0.080 0.000 1.002 451 A HN 0.896 nan 8.150 nan 0.000 0.502 452 H N 2.085 121.189 119.070 0.057 0.000 2.529 452 H HA 0.643 5.199 4.556 -0.000 0.000 0.348 452 H C -2.494 172.862 175.328 0.047 0.000 1.079 452 H CA -1.526 54.553 56.048 0.052 0.000 1.198 452 H CB 1.480 31.267 29.762 0.042 0.000 1.521 452 H HN 0.579 nan 8.280 nan 0.000 0.514 453 P HA 0.287 nan 4.420 nan 0.000 0.300 453 P C -1.322 175.889 177.300 -0.148 0.000 1.326 453 P CA -0.604 62.171 63.100 -0.541 0.000 0.844 453 P CB 1.765 33.086 31.700 -0.633 0.000 0.992 454 T N -0.995 113.530 114.554 -0.048 0.000 2.903 454 T HA 0.362 4.712 4.350 -0.000 0.000 0.299 454 T C 1.196 175.944 174.700 0.079 0.000 1.093 454 T CA -0.918 61.201 62.100 0.032 0.000 1.002 454 T CB 1.015 69.928 68.868 0.074 0.000 1.127 454 T HN 0.125 nan 8.240 nan 0.000 0.488 455 L N 1.507 122.795 121.223 0.108 0.000 2.131 455 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 455 L C 3.034 180.046 176.870 0.237 0.000 1.092 455 L CA 1.663 56.632 54.840 0.214 0.000 0.759 455 L CB -0.637 41.509 42.059 0.145 0.000 0.903 455 L HN 0.968 nan 8.230 nan 0.000 0.435 456 S N -0.586 115.213 115.700 0.166 0.000 2.465 456 S HA -0.208 4.262 4.470 -0.000 0.000 0.241 456 S C 1.592 176.227 174.600 0.058 0.000 1.000 456 S CA 1.137 59.444 58.200 0.179 0.000 0.964 456 S CB -0.353 63.004 63.200 0.261 0.000 0.763 456 S HN 0.513 nan 8.310 nan 0.000 0.512 457 E N 1.316 121.519 120.200 0.004 0.000 2.204 457 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 457 E C 2.362 178.769 176.600 -0.322 0.000 0.990 457 E CA 0.893 57.195 56.400 -0.164 0.000 0.821 457 E CB -0.398 29.267 29.700 -0.059 0.000 0.750 457 E HN 0.777 nan 8.360 nan 0.000 0.477 458 A N 0.937 123.640 122.820 -0.194 0.000 1.933 458 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 458 A C 1.928 179.375 177.584 -0.229 0.000 1.175 458 A CA 1.016 52.862 52.037 -0.317 0.000 0.628 458 A CB -0.588 18.258 19.000 -0.257 0.000 0.814 458 A HN 0.338 nan 8.150 nan 0.000 0.444 459 F N 0.505 120.314 119.950 -0.234 0.000 2.146 459 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 459 F C 2.309 177.961 175.800 -0.247 0.000 1.096 459 F CA 1.741 59.638 58.000 -0.172 0.000 1.275 459 F CB -0.336 38.618 39.000 -0.077 0.000 1.008 459 F HN 0.212 nan 8.300 nan 0.000 0.480 460 R N 0.437 120.669 120.500 -0.447 0.000 2.073 460 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 460 R C 2.164 178.203 176.300 -0.436 0.000 1.134 460 R CA 1.885 57.627 56.100 -0.596 0.000 0.952 460 R CB -0.448 29.354 30.300 -0.830 0.000 0.850 460 R HN 0.285 nan 8.270 nan 0.000 0.433 461 E N -0.086 119.825 120.200 -0.481 0.000 2.204 461 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 461 E C 1.772 178.228 176.600 -0.239 0.000 0.989 461 E CA 1.039 57.164 56.400 -0.458 0.000 0.824 461 E CB 0.032 29.111 29.700 -1.034 0.000 0.756 461 E HN 0.478 nan 8.360 nan 0.000 0.477 462 A N 1.800 124.487 122.820 -0.223 0.000 1.872 462 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 462 A C 1.931 179.446 177.584 -0.114 0.000 1.187 462 A CA 0.938 52.936 52.037 -0.065 0.000 0.614 462 A CB -0.374 18.600 19.000 -0.042 0.000 0.826 462 A HN 0.144 nan 8.150 nan 0.000 0.442 463 N N -0.316 118.225 118.700 -0.265 0.000 2.289 463 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 463 N C 1.610 177.052 175.510 -0.113 0.000 1.016 463 N CA 1.459 54.366 53.050 -0.237 0.000 0.872 463 N CB -0.226 38.021 38.487 -0.400 0.000 0.973 463 N HN 0.462 nan 8.380 nan 0.000 0.433 464 L N 1.011 122.174 121.223 -0.100 0.000 2.068 464 L HA 0.092 4.432 4.340 -0.000 0.000 0.204 464 L C 2.200 179.120 176.870 0.084 0.000 1.076 464 L CA 1.263 56.097 54.840 -0.011 0.000 0.753 464 L CB -0.611 41.423 42.059 -0.041 0.000 0.910 464 L HN 0.006 nan 8.230 nan 0.000 0.439 465 A N -0.389 122.478 122.820 0.079 0.000 1.972 465 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 465 A C 2.367 179.999 177.584 0.079 0.000 1.169 465 A CA 1.646 53.754 52.037 0.119 0.000 0.635 465 A CB -0.981 18.110 19.000 0.152 0.000 0.810 465 A HN 0.574 nan 8.150 nan 0.000 0.446 466 A N -1.267 121.585 122.820 0.052 0.000 1.930 466 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 466 A C 2.416 180.026 177.584 0.043 0.000 1.176 466 A CA 1.811 53.873 52.037 0.042 0.000 0.632 466 A CB -0.660 18.356 19.000 0.027 0.000 0.819 466 A HN 0.517 nan 8.150 nan 0.000 0.445 467 S N -1.631 114.101 115.700 0.054 0.000 2.348 467 S HA -0.041 4.429 4.470 -0.000 0.000 0.219 467 S C 1.593 176.266 174.600 0.123 0.000 1.033 467 S CA 1.370 59.614 58.200 0.072 0.000 0.974 467 S CB -0.370 62.867 63.200 0.062 0.000 0.868 467 S HN 0.566 nan 8.310 nan 0.000 0.459 468 F N 0.948 120.893 119.950 -0.008 0.000 2.754 468 F HA 0.378 4.905 4.527 -0.000 0.000 0.297 468 F C 1.476 177.276 175.800 0.001 0.000 1.122 468 F CA 1.028 59.026 58.000 -0.005 0.000 1.400 468 F CB 0.283 39.278 39.000 -0.008 0.000 1.117 468 F HN 0.412 nan 8.300 nan 0.000 0.587 469 G N 1.032 109.773 108.800 -0.098 0.000 2.284 469 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 469 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 469 G C 0.070 174.928 174.900 -0.071 0.000 1.009 469 G CA 0.062 45.056 45.100 -0.176 0.000 0.625 469 G HN 0.588 nan 8.290 nan 0.000 0.501 470 K N -0.079 120.354 120.400 0.055 0.000 2.568 470 K HA 0.693 5.013 4.320 -0.000 0.000 0.273 470 K C -0.090 176.663 176.600 0.254 0.000 0.951 470 K CA -0.219 56.153 56.287 0.141 0.000 0.854 470 K CB 1.642 34.194 32.500 0.087 0.000 1.424 470 K HN 0.684 nan 8.250 nan 0.000 0.427 471 S N 1.207 117.038 115.700 0.219 0.000 2.713 471 S HA 0.374 4.844 4.470 -0.000 0.000 0.277 471 S C 1.028 175.740 174.600 0.186 0.000 1.168 471 S CA -0.940 57.385 58.200 0.208 0.000 0.994 471 S CB 0.395 63.790 63.200 0.324 0.000 1.054 471 S HN 0.575 nan 8.310 nan 0.000 0.555 472 I N 0.850 121.503 120.570 0.137 0.000 2.429 472 I HA 0.025 4.195 4.170 -0.000 0.000 0.247 472 I C 1.443 177.666 176.117 0.177 0.000 1.099 472 I CA 0.785 62.152 61.300 0.112 0.000 1.422 472 I CB -1.365 36.660 38.000 0.042 0.000 1.112 472 I HN 0.646 nan 8.210 nan 0.000 0.430 473 N N -0.094 118.779 118.700 0.289 0.000 2.322 473 N HA 0.071 4.811 4.740 -0.000 0.000 0.194 473 N C -0.141 175.654 175.510 0.475 0.000 1.126 473 N CA 0.220 53.495 53.050 0.375 0.000 0.845 473 N CB 0.793 39.527 38.487 0.413 0.000 0.976 473 N HN 0.163 nan 8.380 nan 0.000 0.475 474 F N 0.000 120.094 119.950 0.241 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.026 58.000 0.043 0.000 1.383 474 F CB 0.000 38.858 39.000 -0.236 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574