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 2as0_1_B DATA FIRST_RESID 2 DATA SEQUENCE ARVVVDAQAA RAIGKGAXIV FKKGVVRVEG DIKPGDIVEV YTRGGKFLGK DATA SEQUENCE GFANPNSNIX VRIVTKDKDV EINKDLFKRR IKKANEYRKK VLKYTNVYRX DATA SEQUENCE VYGEADYLPG LIVDRFNDIA SLQISSAGXE RFKLDVAEAI XEVEPGIETV DATA SEQUENCE FEKNTGRSRR REGLPEIERV LLGKEKYRTI IQEGRAKFIV DXRGQKTGFF DATA SEQUENCE LDQRENRLAL EKWVQPGDRV LDVFTYTGGF AIHAAIAGAD EVIGIDKSPR DATA SEQUENCE AIETAKENAK LNGVEDRXKF IVGSAFEEXE KLQKKGEKFD IVVLDPPAFV DATA SEQUENCE QHEKDLKAGL RAYFNVNFAG LNLVKDGGIL VTCSCSQHVD LQXFKDXIIA DATA SEQUENCE AGAKAGKFLK XLEPYRTQAP DHPILXASKD TEYLKCLFLY VEDXR 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.650 177.584 0.110 0.000 1.274 2 A CA 0.000 52.086 52.037 0.081 0.000 0.836 2 A CB 0.000 19.043 19.000 0.071 0.000 0.831 3 R N 0.084 120.648 120.500 0.106 0.000 2.621 3 R HA 0.669 5.009 4.340 -0.000 0.000 0.292 3 R C -1.455 174.917 176.300 0.118 0.000 0.969 3 R CA -0.773 55.420 56.100 0.154 0.000 0.887 3 R CB 2.468 32.862 30.300 0.157 0.000 1.180 3 R HN 0.441 nan 8.270 nan 0.000 0.450 4 V N 3.739 123.730 119.914 0.127 0.000 2.357 4 V HA 0.280 4.400 4.120 -0.000 0.000 0.284 4 V C -0.241 175.911 176.094 0.097 0.000 1.018 4 V CA -0.785 61.565 62.300 0.084 0.000 0.841 4 V CB 1.758 33.611 31.823 0.051 0.000 0.991 4 V HN 0.467 nan 8.190 nan 0.000 0.437 5 V N 6.449 126.412 119.914 0.082 0.000 2.432 5 V HA 0.505 4.625 4.120 -0.000 0.000 0.275 5 V C 0.208 176.335 176.094 0.054 0.000 1.043 5 V CA -0.375 61.974 62.300 0.083 0.000 0.925 5 V CB 1.546 33.407 31.823 0.064 0.000 0.985 5 V HN 0.731 nan 8.190 nan 0.000 0.466 6 V N 1.466 121.408 119.914 0.047 0.000 2.994 6 V HA 0.793 4.913 4.120 -0.000 0.000 0.318 6 V C -0.257 175.856 176.094 0.032 0.000 1.085 6 V CA -0.914 61.406 62.300 0.033 0.000 0.998 6 V CB 1.946 33.778 31.823 0.016 0.000 1.063 6 V HN 0.835 nan 8.190 nan 0.000 0.447 7 D N 1.475 121.894 120.400 0.031 0.000 2.451 7 D HA 0.510 5.149 4.640 -0.000 0.000 0.259 7 D C 1.158 177.472 176.300 0.022 0.000 1.201 7 D CA 0.012 54.028 54.000 0.027 0.000 1.028 7 D CB 1.071 41.887 40.800 0.027 0.000 1.095 7 D HN 0.783 nan 8.370 nan 0.000 0.539 8 A N -0.678 122.154 122.820 0.019 0.000 1.940 8 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 8 A C 2.095 179.688 177.584 0.015 0.000 1.176 8 A CA 2.140 54.186 52.037 0.015 0.000 0.631 8 A CB -1.016 17.991 19.000 0.013 0.000 0.814 8 A HN 0.729 nan 8.150 nan 0.000 0.446 9 Q N -0.599 119.212 119.800 0.019 0.000 2.016 9 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 9 Q C 2.243 178.262 176.000 0.032 0.000 0.978 9 Q CA 1.568 57.384 55.803 0.022 0.000 0.833 9 Q CB -0.358 28.392 28.738 0.021 0.000 0.895 9 Q HN 0.581 nan 8.270 nan 0.000 0.427 10 A N 0.826 123.670 122.820 0.041 0.000 1.908 10 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 10 A C 2.280 179.875 177.584 0.017 0.000 1.181 10 A CA 1.829 53.897 52.037 0.050 0.000 0.627 10 A CB -1.037 17.996 19.000 0.055 0.000 0.818 10 A HN 0.572 nan 8.150 nan 0.000 0.445 11 A N -0.513 122.309 122.820 0.003 0.000 1.933 11 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 11 A C 2.243 179.818 177.584 -0.014 0.000 1.175 11 A CA 1.687 53.713 52.037 -0.018 0.000 0.628 11 A CB -0.488 18.504 19.000 -0.013 0.000 0.814 11 A HN 0.561 nan 8.150 nan 0.000 0.444 12 R N -0.357 120.143 120.500 -0.000 0.000 2.081 12 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 12 R C 2.300 178.602 176.300 0.003 0.000 1.131 12 R CA 1.447 57.548 56.100 0.001 0.000 0.960 12 R CB -0.402 29.903 30.300 0.008 0.000 0.856 12 R HN 0.443 nan 8.270 nan 0.000 0.436 13 A N 1.187 124.015 122.820 0.013 0.000 1.858 13 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 13 A C 2.165 179.750 177.584 0.002 0.000 1.190 13 A CA 1.542 53.592 52.037 0.021 0.000 0.617 13 A CB -0.584 18.448 19.000 0.054 0.000 0.827 13 A HN 0.370 nan 8.150 nan 0.000 0.443 14 I N -0.157 120.402 120.570 -0.017 0.000 2.335 14 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 14 I C 2.552 178.643 176.117 -0.044 0.000 1.129 14 I CA 1.128 62.401 61.300 -0.045 0.000 1.402 14 I CB -0.508 37.443 38.000 -0.081 0.000 1.069 14 I HN 0.424 nan 8.210 nan 0.000 0.424 15 G N 0.486 109.266 108.800 -0.034 0.000 2.471 15 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.219 15 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.219 15 G C 1.647 176.536 174.900 -0.019 0.000 1.125 15 G CA 0.270 45.352 45.100 -0.029 0.000 0.775 15 G HN 0.348 nan 8.290 nan 0.000 0.548 16 K N -0.406 119.988 120.400 -0.011 0.000 2.393 16 K HA 0.264 4.584 4.320 -0.000 0.000 0.193 16 K C 1.489 178.088 176.600 -0.002 0.000 1.026 16 K CA 0.454 56.739 56.287 -0.003 0.000 1.064 16 K CB 0.486 32.989 32.500 0.004 0.000 0.833 16 K HN 0.322 nan 8.250 nan 0.000 0.521 17 G N 0.570 109.365 108.800 -0.008 0.000 2.227 17 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.168 17 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.168 17 G C 0.284 175.183 174.900 -0.001 0.000 1.006 17 G CA -0.159 44.939 45.100 -0.003 0.000 0.684 17 G HN 0.377 nan 8.290 nan 0.000 0.489 21 V N 3.198 122.936 119.914 -0.294 0.000 2.482 21 V HA 0.466 4.585 4.120 -0.000 0.000 0.295 21 V C -0.555 175.410 176.094 -0.216 0.000 1.026 21 V CA -0.271 61.919 62.300 -0.183 0.000 0.856 21 V CB 1.466 33.236 31.823 -0.087 0.000 1.001 21 V HN 0.537 nan 8.190 nan 0.000 0.424 22 F N 3.144 123.096 119.950 0.003 0.000 2.443 22 F HA 0.281 4.808 4.527 -0.000 0.000 0.353 22 F C 1.596 177.403 175.800 0.012 0.000 1.101 22 F CA -0.099 57.907 58.000 0.010 0.000 1.226 22 F CB 0.882 39.888 39.000 0.010 0.000 1.140 22 F HN 0.519 nan 8.300 nan 0.000 0.557 23 K N 3.089 123.602 120.400 0.189 0.000 2.160 23 K HA -0.245 4.074 4.320 -0.000 0.000 0.206 23 K C 1.782 178.448 176.600 0.110 0.000 1.047 23 K CA 2.000 58.356 56.287 0.115 0.000 0.930 23 K CB -0.031 32.525 32.500 0.094 0.000 0.720 23 K HN 0.753 nan 8.250 nan 0.000 0.450 24 K N -1.166 119.316 120.400 0.136 0.000 2.283 24 K HA -0.045 4.275 4.320 -0.000 0.000 0.202 24 K C 1.644 178.292 176.600 0.080 0.000 1.048 24 K CA 1.437 57.775 56.287 0.084 0.000 0.948 24 K CB -0.040 32.489 32.500 0.049 0.000 0.742 24 K HN 0.174 nan 8.250 nan 0.000 0.458 25 G N 1.311 110.182 108.800 0.119 0.000 3.042 25 G HA2 0.136 4.096 3.960 -0.000 0.000 0.212 25 G HA3 0.136 4.096 3.960 -0.000 0.000 0.212 25 G C -0.062 174.878 174.900 0.067 0.000 1.166 25 G CA -0.406 44.750 45.100 0.094 0.000 0.767 25 G HN 0.084 nan 8.290 nan 0.000 0.546 26 V N 2.290 122.241 119.914 0.063 0.000 2.408 26 V HA 0.095 4.215 4.120 -0.000 0.000 0.267 26 V C 1.632 177.751 176.094 0.041 0.000 1.047 26 V CA -0.208 62.121 62.300 0.049 0.000 0.937 26 V CB 1.211 33.063 31.823 0.048 0.000 0.999 26 V HN 0.181 nan 8.190 nan 0.000 0.472 27 V N 3.036 122.972 119.914 0.037 0.000 2.719 27 V HA 0.221 4.341 4.120 -0.000 0.000 0.252 27 V C 0.724 176.835 176.094 0.029 0.000 1.065 27 V CA 1.089 63.408 62.300 0.031 0.000 1.086 27 V CB -0.886 30.955 31.823 0.029 0.000 0.700 27 V HN 1.018 nan 8.190 nan 0.000 0.467 28 R N -1.658 118.861 120.500 0.033 0.000 2.825 28 R HA 0.665 5.004 4.340 -0.000 0.000 0.274 28 R C -2.220 174.101 176.300 0.036 0.000 1.026 28 R CA -0.747 55.371 56.100 0.030 0.000 0.867 28 R CB 1.544 31.858 30.300 0.023 0.000 1.268 28 R HN -0.094 nan 8.270 nan 0.000 0.491 29 V N 1.167 121.101 119.914 0.033 0.000 2.487 29 V HA 0.399 4.519 4.120 -0.000 0.000 0.298 29 V C -0.610 175.504 176.094 0.032 0.000 1.028 29 V CA -0.668 61.655 62.300 0.038 0.000 0.860 29 V CB 1.760 33.606 31.823 0.039 0.000 0.991 29 V HN 0.733 nan 8.190 nan 0.000 0.427 30 E N 3.190 123.412 120.200 0.036 0.000 2.073 30 E HA 0.642 4.992 4.350 -0.000 0.000 0.269 30 E C 0.246 176.865 176.600 0.032 0.000 0.917 30 E CA 0.047 56.463 56.400 0.026 0.000 0.757 30 E CB 1.647 31.355 29.700 0.014 0.000 1.111 30 E HN 1.095 nan 8.360 nan 0.000 0.410 31 G N 3.083 111.900 108.800 0.028 0.000 2.650 31 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 31 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 31 G C -1.102 173.818 174.900 0.033 0.000 1.205 31 G CA -1.193 43.925 45.100 0.030 0.000 0.781 31 G HN 0.447 nan 8.290 nan 0.000 0.648 32 D N 0.010 120.429 120.400 0.031 0.000 2.389 32 D HA 0.496 5.136 4.640 -0.000 0.000 0.247 32 D C 0.774 177.097 176.300 0.038 0.000 1.128 32 D CA 0.600 54.618 54.000 0.031 0.000 0.884 32 D CB 0.972 41.787 40.800 0.025 0.000 1.194 32 D HN 0.507 nan 8.370 nan 0.000 0.441 33 I N 1.915 122.508 120.570 0.039 0.000 2.465 33 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 33 I C 0.195 176.336 176.117 0.041 0.000 1.014 33 I CA -0.820 60.508 61.300 0.046 0.000 1.093 33 I CB 1.940 39.971 38.000 0.051 0.000 1.267 33 I HN 0.043 nan 8.210 nan 0.000 0.431 34 K N 7.172 127.598 120.400 0.044 0.000 2.267 34 K HA 0.589 4.908 4.320 -0.000 0.000 0.246 34 K C -2.715 173.909 176.600 0.040 0.000 0.954 34 K CA -1.876 54.432 56.287 0.035 0.000 0.824 34 K CB 2.159 34.676 32.500 0.028 0.000 1.167 34 K HN 0.104 nan 8.250 nan 0.000 0.431 35 P HA 0.019 nan 4.420 nan 0.000 0.263 35 P C 0.105 177.417 177.300 0.021 0.000 1.195 35 P CA 1.129 64.245 63.100 0.025 0.000 0.762 35 P CB 0.602 32.308 31.700 0.011 0.000 0.799 36 G N 2.148 110.969 108.800 0.035 0.000 2.217 36 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.246 36 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.246 36 G C 0.048 175.023 174.900 0.125 0.000 0.990 36 G CA -0.343 44.768 45.100 0.019 0.000 0.627 36 G HN 0.479 nan 8.290 nan 0.000 0.522 37 D N 0.453 120.931 120.400 0.130 0.000 2.399 37 D HA 0.399 5.039 4.640 -0.000 0.000 0.241 37 D C 1.053 177.496 176.300 0.237 0.000 1.133 37 D CA 0.154 54.248 54.000 0.157 0.000 0.890 37 D CB 0.724 41.589 40.800 0.108 0.000 1.201 37 D HN 0.347 nan 8.370 nan 0.000 0.432 38 I N 1.821 122.536 120.570 0.241 0.000 2.342 38 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 38 I C 0.364 176.565 176.117 0.140 0.000 1.010 38 I CA -0.575 60.858 61.300 0.221 0.000 1.308 38 I CB 0.890 39.021 38.000 0.218 0.000 1.400 38 I HN 0.072 nan 8.210 nan 0.000 0.488 39 V N 2.634 122.613 119.914 0.109 0.000 3.074 39 V HA 0.612 4.732 4.120 -0.000 0.000 0.314 39 V C -0.579 175.568 176.094 0.088 0.000 1.117 39 V CA -0.837 61.523 62.300 0.100 0.000 1.014 39 V CB 2.021 33.898 31.823 0.091 0.000 1.057 39 V HN 0.668 nan 8.190 nan 0.000 0.438 40 E N 0.668 120.947 120.200 0.133 0.000 2.222 40 E HA 0.698 5.048 4.350 -0.000 0.000 0.272 40 E C -1.417 175.216 176.600 0.055 0.000 0.982 40 E CA -0.864 55.620 56.400 0.140 0.000 0.842 40 E CB 2.410 32.309 29.700 0.333 0.000 1.144 40 E HN 0.602 nan 8.360 nan 0.000 0.397 41 V N 2.786 122.581 119.914 -0.198 0.000 2.495 41 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 41 V C -1.140 174.716 176.094 -0.397 0.000 1.031 41 V CA -0.667 61.508 62.300 -0.209 0.000 0.871 41 V CB 0.503 32.171 31.823 -0.258 0.000 0.988 41 V HN 0.580 nan 8.190 nan 0.000 0.432 42 Y N 1.240 121.495 120.300 -0.074 0.000 2.576 42 Y HA 0.603 5.153 4.550 -0.000 0.000 0.346 42 Y C 0.756 176.636 175.900 -0.032 0.000 1.018 42 Y CA -0.734 57.341 58.100 -0.040 0.000 1.050 42 Y CB 2.353 40.829 38.460 0.026 0.000 1.280 42 Y HN 0.737 nan 8.280 nan 0.000 0.474 43 T N -2.067 112.584 114.554 0.163 0.000 2.847 43 T HA 0.340 4.689 4.350 -0.000 0.000 0.279 43 T C 1.072 175.830 174.700 0.098 0.000 0.984 43 T CA -0.695 61.458 62.100 0.088 0.000 0.988 43 T CB 1.149 70.053 68.868 0.060 0.000 1.040 43 T HN 0.704 nan 8.240 nan 0.000 0.528 44 R N 0.369 120.905 120.500 0.059 0.000 2.127 44 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 44 R C 2.533 178.856 176.300 0.040 0.000 1.134 44 R CA 1.431 57.557 56.100 0.043 0.000 0.975 44 R CB -0.932 29.386 30.300 0.030 0.000 0.865 44 R HN 0.906 nan 8.270 nan 0.000 0.447 45 G N -0.993 107.836 108.800 0.048 0.000 2.598 45 G HA2 0.009 3.969 3.960 -0.000 0.000 0.215 45 G HA3 0.009 3.969 3.960 -0.000 0.000 0.215 45 G C 0.824 175.756 174.900 0.054 0.000 1.131 45 G CA 0.665 45.791 45.100 0.043 0.000 0.785 45 G HN 0.506 nan 8.290 nan 0.000 0.539 46 G N -0.753 108.099 108.800 0.086 0.000 2.138 46 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.193 46 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.193 46 G C 0.140 175.194 174.900 0.257 0.000 0.998 46 G CA 0.255 45.412 45.100 0.095 0.000 0.668 46 G HN 0.686 nan 8.290 nan 0.000 0.516 47 K N 0.249 120.812 120.400 0.272 0.000 2.183 47 K HA 0.600 4.920 4.320 -0.000 0.000 0.274 47 K C -0.023 176.737 176.600 0.267 0.000 1.009 47 K CA -1.065 55.377 56.287 0.257 0.000 0.888 47 K CB 0.479 33.052 32.500 0.121 0.000 1.078 47 K HN 0.094 nan 8.250 nan 0.000 0.459 48 F N 5.519 125.472 119.950 0.006 0.000 2.538 48 F HA 0.085 4.612 4.527 -0.000 0.000 0.371 48 F C 0.195 175.816 175.800 -0.298 0.000 1.087 48 F CA 0.154 57.858 58.000 -0.493 0.000 1.250 48 F CB 0.457 39.238 39.000 -0.365 0.000 1.110 48 F HN 0.561 nan 8.300 nan 0.000 0.570 49 L N 4.531 125.074 121.223 -1.133 0.000 2.577 49 L HA 0.492 4.831 4.340 -0.000 0.000 0.225 49 L C 0.993 177.259 176.870 -1.006 0.000 1.053 49 L CA 0.392 54.767 54.840 -0.775 0.000 0.866 49 L CB -0.004 41.788 42.059 -0.444 0.000 1.132 49 L HN 0.850 nan 8.230 nan 0.000 0.486 50 G N 0.004 107.851 108.800 -1.587 0.000 2.315 50 G HA2 0.259 4.219 3.960 -0.000 0.000 0.294 50 G HA3 0.259 4.219 3.960 -0.000 0.000 0.294 50 G C -2.092 172.483 174.900 -0.542 0.000 1.300 50 G CA -0.579 43.960 45.100 -0.935 0.000 0.843 50 G HN -0.143 nan 8.290 nan 0.000 0.527 51 K N -0.645 119.665 120.400 -0.149 0.000 2.498 51 K HA 0.747 5.067 4.320 -0.000 0.000 0.254 51 K C -0.206 176.320 176.600 -0.123 0.000 0.933 51 K CA -0.037 56.227 56.287 -0.038 0.000 0.806 51 K CB 2.023 34.589 32.500 0.110 0.000 1.301 51 K HN 1.644 nan 8.250 nan 0.000 0.432 52 G N 1.881 110.604 108.800 -0.128 0.000 2.490 52 G HA2 0.337 4.297 3.960 -0.000 0.000 0.308 52 G HA3 0.337 4.297 3.960 -0.000 0.000 0.308 52 G C -1.642 173.176 174.900 -0.136 0.000 1.286 52 G CA -1.019 43.926 45.100 -0.259 0.000 0.825 52 G HN 0.401 nan 8.290 nan 0.000 0.479 53 F N 1.321 121.300 119.950 0.047 0.000 2.427 53 F HA 0.557 5.084 4.527 -0.000 0.000 0.352 53 F C 1.029 176.847 175.800 0.029 0.000 1.100 53 F CA -0.234 57.800 58.000 0.057 0.000 1.191 53 F CB 1.540 40.576 39.000 0.060 0.000 1.128 53 F HN 0.543 nan 8.300 nan 0.000 0.533 54 A N 3.201 126.161 122.820 0.234 0.000 2.312 54 A HA 0.531 4.850 4.320 -0.000 0.000 0.328 54 A C -0.595 177.050 177.584 0.101 0.000 1.158 54 A CA -0.645 51.469 52.037 0.128 0.000 0.821 54 A CB 0.972 20.033 19.000 0.102 0.000 1.170 54 A HN 0.704 nan 8.150 nan 0.000 0.490 55 N N 2.030 120.771 118.700 0.068 0.000 2.653 55 N HA 0.267 5.006 4.740 -0.000 0.000 0.261 55 N C -2.540 172.995 175.510 0.042 0.000 1.216 55 N CA -1.292 51.787 53.050 0.049 0.000 0.784 55 N CB 1.956 40.468 38.487 0.041 0.000 1.327 55 N HN 0.327 nan 8.380 nan 0.000 0.539 56 P HA 0.083 nan 4.420 nan 0.000 0.244 56 P C -0.529 176.792 177.300 0.034 0.000 1.211 56 P CA 0.430 63.553 63.100 0.037 0.000 0.760 56 P CB 0.247 31.968 31.700 0.035 0.000 0.961 57 N N -0.193 118.526 118.700 0.033 0.000 2.553 57 N HA 0.144 4.884 4.740 -0.000 0.000 0.298 57 N C -0.443 175.088 175.510 0.036 0.000 1.596 57 N CA 0.089 53.158 53.050 0.031 0.000 0.910 57 N CB 0.942 39.444 38.487 0.025 0.000 1.336 57 N HN 0.038 nan 8.380 nan 0.000 0.497 58 S N 0.435 116.161 115.700 0.044 0.000 2.565 58 S HA 0.185 4.655 4.470 -0.000 0.000 0.269 58 S C 0.476 175.120 174.600 0.074 0.000 1.153 58 S CA -0.667 57.566 58.200 0.055 0.000 0.835 58 S CB 0.777 64.004 63.200 0.047 0.000 1.122 58 S HN 0.275 nan 8.310 nan 0.000 0.462 59 N N 2.272 121.034 118.700 0.103 0.000 2.453 59 N HA 0.002 4.742 4.740 -0.000 0.000 0.183 59 N C 0.726 176.357 175.510 0.201 0.000 1.041 59 N CA 0.798 53.944 53.050 0.162 0.000 0.900 59 N CB -0.322 38.282 38.487 0.194 0.000 0.961 59 N HN 0.625 nan 8.380 nan 0.000 0.443 63 R N 3.572 124.063 120.500 -0.014 0.000 2.247 63 R HA 0.582 4.922 4.340 -0.000 0.000 0.329 63 R C -0.509 175.737 176.300 -0.091 0.000 1.014 63 R CA -0.484 55.597 56.100 -0.031 0.000 0.907 63 R CB 1.269 31.616 30.300 0.079 0.000 1.146 63 R HN 0.722 nan 8.270 nan 0.000 0.499 64 I N 2.741 123.241 120.570 -0.116 0.000 2.598 64 I HA -0.098 4.072 4.170 -0.000 0.000 0.284 64 I C 1.449 177.479 176.117 -0.145 0.000 1.140 64 I CA 0.096 61.310 61.300 -0.144 0.000 1.420 64 I CB 0.820 38.739 38.000 -0.136 0.000 1.387 64 I HN 0.265 nan 8.210 nan 0.000 0.553 65 V N 3.706 123.499 119.914 -0.202 0.000 2.922 65 V HA 0.049 4.168 4.120 -0.000 0.000 0.242 65 V C 0.740 176.769 176.094 -0.109 0.000 1.094 65 V CA 0.975 63.167 62.300 -0.180 0.000 1.106 65 V CB 0.588 32.207 31.823 -0.340 0.000 0.799 65 V HN 0.853 nan 8.190 nan 0.000 0.474 66 T N -0.891 113.597 114.554 -0.110 0.000 2.923 66 T HA 0.366 4.716 4.350 -0.000 0.000 0.311 66 T C -0.274 174.405 174.700 -0.035 0.000 1.183 66 T CA -0.554 61.504 62.100 -0.071 0.000 1.020 66 T CB 1.975 70.805 68.868 -0.064 0.000 1.165 66 T HN 0.143 nan 8.240 nan 0.000 0.482 67 K N 1.775 122.162 120.400 -0.023 0.000 2.399 67 K HA 0.196 4.516 4.320 -0.000 0.000 0.204 67 K C -0.273 176.450 176.600 0.204 0.000 1.023 67 K CA -0.297 55.990 56.287 0.000 0.000 1.127 67 K CB 0.461 32.919 32.500 -0.071 0.000 0.856 67 K HN 0.431 nan 8.250 nan 0.000 0.514 68 D N 1.542 122.040 120.400 0.163 0.000 2.381 68 D HA 0.076 4.715 4.640 -0.000 0.000 0.235 68 D C 0.419 176.712 176.300 -0.011 0.000 1.068 68 D CA -0.124 53.929 54.000 0.089 0.000 0.832 68 D CB 1.583 42.375 40.800 -0.013 0.000 1.101 68 D HN -0.140 nan 8.370 nan 0.000 0.515 69 K N 2.670 122.875 120.400 -0.324 0.000 2.280 69 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 69 K C 0.575 176.980 176.600 -0.325 0.000 1.047 69 K CA 1.047 56.901 56.287 -0.721 0.000 0.942 69 K CB 0.363 32.173 32.500 -1.150 0.000 0.739 69 K HN 0.396 nan 8.250 nan 0.000 0.457 70 D N 0.210 120.488 120.400 -0.204 0.000 2.323 70 D HA -0.038 4.602 4.640 -0.000 0.000 0.209 70 D C 0.061 176.299 176.300 -0.104 0.000 0.973 70 D CA 0.360 54.279 54.000 -0.135 0.000 0.874 70 D CB 0.305 41.043 40.800 -0.103 0.000 0.930 70 D HN -0.048 nan 8.370 nan 0.000 0.521 71 V N 2.023 121.878 119.914 -0.099 0.000 2.470 71 V HA 0.018 4.138 4.120 -0.000 0.000 0.276 71 V C 0.541 176.574 176.094 -0.102 0.000 1.040 71 V CA -0.331 61.912 62.300 -0.094 0.000 1.008 71 V CB 1.089 32.858 31.823 -0.091 0.000 0.990 71 V HN 0.009 nan 8.190 nan 0.000 0.477 72 E N 4.992 125.128 120.200 -0.106 0.000 2.283 72 E HA 0.344 4.694 4.350 -0.000 0.000 0.278 72 E C -0.644 175.848 176.600 -0.180 0.000 1.027 72 E CA -0.679 55.658 56.400 -0.104 0.000 0.843 72 E CB 0.947 30.604 29.700 -0.072 0.000 1.062 72 E HN 0.637 nan 8.360 nan 0.000 0.401 73 I N 5.807 126.263 120.570 -0.190 0.000 2.294 73 I HA 0.141 4.311 4.170 -0.000 0.000 0.295 73 I C -0.314 175.558 176.117 -0.408 0.000 1.098 73 I CA -0.198 60.870 61.300 -0.386 0.000 1.277 73 I CB -0.329 37.501 38.000 -0.283 0.000 1.434 73 I HN 0.526 nan 8.210 nan 0.000 0.498 74 N N 4.690 123.021 118.700 -0.615 0.000 3.277 74 N HA 0.194 4.934 4.740 -0.000 0.000 0.278 74 N C 0.254 175.506 175.510 -0.431 0.000 1.544 74 N CA -1.082 51.776 53.050 -0.320 0.000 0.869 74 N CB 0.621 39.087 38.487 -0.035 0.000 1.584 74 N HN 0.184 nan 8.380 nan 0.000 0.564 75 K N -0.685 119.715 120.400 -0.000 0.000 2.074 75 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 75 K C 0.336 176.939 176.600 0.005 0.000 1.048 75 K CA 1.922 58.272 56.287 0.105 0.000 0.926 75 K CB -0.317 32.288 32.500 0.175 0.000 0.713 75 K HN 0.478 nan 8.250 nan 0.000 0.444 76 D N 0.796 121.167 120.400 -0.047 0.000 2.117 76 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 76 D C 1.922 178.168 176.300 -0.090 0.000 0.987 76 D CA 0.937 54.910 54.000 -0.046 0.000 0.829 76 D CB -0.105 40.668 40.800 -0.045 0.000 0.961 76 D HN 0.196 nan 8.370 nan 0.000 0.460 77 L N 0.120 121.207 121.223 -0.228 0.000 2.046 77 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 77 L C 2.004 178.796 176.870 -0.131 0.000 1.077 77 L CA 1.529 56.214 54.840 -0.259 0.000 0.747 77 L CB -0.644 41.134 42.059 -0.469 0.000 0.896 77 L HN -0.133 nan 8.230 nan 0.000 0.432 78 F N 0.276 120.192 119.950 -0.057 0.000 2.186 78 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 78 F C 2.546 178.350 175.800 0.006 0.000 1.090 78 F CA 1.337 59.318 58.000 -0.031 0.000 1.307 78 F CB -1.075 37.898 39.000 -0.045 0.000 1.019 78 F HN 0.156 nan 8.300 nan 0.000 0.489 79 K N 0.602 121.110 120.400 0.180 0.000 2.057 79 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 79 K C 2.419 179.076 176.600 0.094 0.000 1.049 79 K CA 1.272 57.632 56.287 0.122 0.000 0.931 79 K CB -0.088 32.463 32.500 0.086 0.000 0.714 79 K HN 0.098 nan 8.250 nan 0.000 0.440 80 R N 0.495 121.036 120.500 0.068 0.000 2.081 80 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 80 R C 2.218 178.563 176.300 0.075 0.000 1.131 80 R CA 1.559 57.689 56.100 0.050 0.000 0.960 80 R CB 0.023 30.332 30.300 0.015 0.000 0.856 80 R HN 0.179 nan 8.270 nan 0.000 0.436 81 R N -0.217 120.349 120.500 0.109 0.000 2.119 81 R HA 0.015 4.355 4.340 -0.000 0.000 0.222 81 R C 2.270 178.644 176.300 0.124 0.000 1.088 81 R CA 1.086 57.268 56.100 0.135 0.000 0.984 81 R CB -0.115 30.299 30.300 0.191 0.000 0.884 81 R HN 0.289 nan 8.270 nan 0.000 0.447 82 I N 0.924 121.567 120.570 0.122 0.000 2.315 82 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 82 I C 2.531 178.707 176.117 0.098 0.000 1.117 82 I CA 1.164 62.526 61.300 0.103 0.000 1.404 82 I CB -0.160 37.901 38.000 0.102 0.000 1.071 82 I HN 0.111 nan 8.210 nan 0.000 0.419 83 K N 1.590 122.045 120.400 0.091 0.000 2.057 83 K HA -0.238 4.081 4.320 -0.000 0.000 0.206 83 K C 2.245 178.893 176.600 0.081 0.000 1.050 83 K CA 1.511 57.846 56.287 0.081 0.000 0.935 83 K CB -0.029 32.511 32.500 0.066 0.000 0.715 83 K HN 0.074 nan 8.250 nan 0.000 0.439 84 K N 0.059 120.509 120.400 0.083 0.000 2.057 84 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 84 K C 1.953 178.616 176.600 0.104 0.000 1.049 84 K CA 1.260 57.599 56.287 0.087 0.000 0.931 84 K CB -0.187 32.366 32.500 0.087 0.000 0.714 84 K HN 0.236 nan 8.250 nan 0.000 0.440 85 A N 1.327 124.206 122.820 0.099 0.000 1.877 85 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 85 A C 1.918 179.578 177.584 0.126 0.000 1.186 85 A CA 2.005 54.101 52.037 0.099 0.000 0.620 85 A CB -0.887 18.160 19.000 0.078 0.000 0.822 85 A HN 0.507 nan 8.150 nan 0.000 0.443 86 N N -0.037 118.730 118.700 0.112 0.000 2.120 86 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 86 N C 1.632 177.157 175.510 0.025 0.000 1.024 86 N CA 1.858 54.968 53.050 0.099 0.000 0.852 86 N CB -0.285 38.282 38.487 0.134 0.000 1.003 86 N HN 0.629 nan 8.380 nan 0.000 0.424 87 E N -1.305 118.927 120.200 0.053 0.000 2.204 87 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 87 E C 1.359 177.968 176.600 0.016 0.000 0.989 87 E CA 0.663 57.078 56.400 0.025 0.000 0.824 87 E CB -0.233 29.495 29.700 0.046 0.000 0.756 87 E HN 0.514 nan 8.360 nan 0.000 0.477 88 Y N 1.814 122.070 120.300 -0.073 0.000 2.181 88 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 88 Y C 2.090 177.881 175.900 -0.181 0.000 1.146 88 Y CA 1.592 59.635 58.100 -0.094 0.000 1.164 88 Y CB 0.077 38.501 38.460 -0.059 0.000 0.982 88 Y HN -0.180 nan 8.280 nan 0.000 0.515 89 R N 0.405 120.762 120.500 -0.239 0.000 2.073 89 R HA -0.043 4.296 4.340 -0.000 0.000 0.229 89 R C 2.209 178.205 176.300 -0.508 0.000 1.120 89 R CA 1.694 57.490 56.100 -0.507 0.000 0.967 89 R CB -0.278 29.585 30.300 -0.727 0.000 0.862 89 R HN 0.299 nan 8.270 nan 0.000 0.436 90 K N -0.031 120.150 120.400 -0.365 0.000 2.116 90 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 90 K C 1.753 178.255 176.600 -0.164 0.000 1.052 90 K CA 1.173 57.329 56.287 -0.219 0.000 0.952 90 K CB 0.128 32.562 32.500 -0.110 0.000 0.729 90 K HN 0.052 nan 8.250 nan 0.000 0.446 91 K N 0.015 120.318 120.400 -0.161 0.000 2.202 91 K HA 0.048 4.368 4.320 -0.000 0.000 0.201 91 K C 1.966 178.458 176.600 -0.179 0.000 1.051 91 K CA 0.511 56.722 56.287 -0.126 0.000 0.977 91 K CB 0.418 32.877 32.500 -0.069 0.000 0.792 91 K HN -0.108 nan 8.250 nan 0.000 0.469 92 V N 1.514 121.253 119.914 -0.291 0.000 2.374 92 V HA -0.069 4.051 4.120 -0.000 0.000 0.241 92 V C 1.991 177.820 176.094 -0.441 0.000 1.034 92 V CA 1.140 63.224 62.300 -0.361 0.000 1.037 92 V CB -0.231 31.281 31.823 -0.518 0.000 0.682 92 V HN 0.190 nan 8.190 nan 0.000 0.463 93 L N -0.534 120.308 121.223 -0.635 0.000 2.418 93 L HA 0.091 4.431 4.340 -0.000 0.000 0.218 93 L C 1.061 177.599 176.870 -0.554 0.000 1.125 93 L CA 0.525 54.934 54.840 -0.718 0.000 0.835 93 L CB -0.491 40.899 42.059 -1.114 0.000 0.953 93 L HN 0.369 nan 8.230 nan 0.000 0.454 94 K N -0.860 119.328 120.400 -0.354 0.000 3.129 94 K HA -0.212 4.107 4.320 -0.000 0.000 0.273 94 K C -0.422 176.202 176.600 0.041 0.000 1.123 94 K CA 0.519 56.722 56.287 -0.139 0.000 0.800 94 K CB -2.010 30.440 32.500 -0.082 0.000 1.238 94 K HN 0.330 nan 8.250 nan 0.000 0.492 95 Y N -0.060 120.164 120.300 -0.126 0.000 2.301 95 Y HA 0.039 4.589 4.550 -0.000 0.000 0.328 95 Y C 2.262 178.176 175.900 0.022 0.000 1.242 95 Y CA 0.082 58.162 58.100 -0.034 0.000 1.323 95 Y CB 1.161 39.590 38.460 -0.052 0.000 1.266 95 Y HN 0.266 nan 8.280 nan 0.000 0.527 96 T N -3.102 111.640 114.554 0.313 0.000 3.182 96 T HA 0.052 4.402 4.350 -0.000 0.000 0.244 96 T C 0.771 175.667 174.700 0.327 0.000 0.981 96 T CA 0.172 62.426 62.100 0.256 0.000 1.182 96 T CB 0.119 69.076 68.868 0.149 0.000 1.043 96 T HN 0.511 nan 8.240 nan 0.000 0.424 97 N N 0.526 119.356 118.700 0.217 0.000 2.257 97 N HA 0.283 5.022 4.740 -0.000 0.000 0.200 97 N C -0.672 174.785 175.510 -0.089 0.000 1.163 97 N CA 0.243 53.341 53.050 0.080 0.000 0.891 97 N CB 1.920 40.438 38.487 0.051 0.000 1.067 97 N HN 0.263 nan 8.380 nan 0.000 0.497 98 V N 2.592 122.482 119.914 -0.040 0.000 2.482 98 V HA 0.488 4.607 4.120 -0.000 0.000 0.295 98 V C -1.249 174.775 176.094 -0.117 0.000 1.026 98 V CA -0.771 61.421 62.300 -0.179 0.000 0.856 98 V CB 0.883 32.701 31.823 -0.008 0.000 1.001 98 V HN 0.270 nan 8.190 nan 0.000 0.424 99 Y N 2.122 122.337 120.300 -0.142 0.000 2.765 99 Y HA 0.698 5.247 4.550 -0.000 0.000 0.350 99 Y C -0.710 175.126 175.900 -0.108 0.000 1.196 99 Y CA -1.513 56.547 58.100 -0.067 0.000 1.119 99 Y CB 0.997 39.547 38.460 0.150 0.000 1.368 99 Y HN 0.601 nan 8.280 nan 0.000 0.463 103 Y N 5.080 125.330 120.300 -0.084 0.000 2.747 103 Y HA 0.679 5.228 4.550 -0.000 0.000 0.362 103 Y C 1.000 176.850 175.900 -0.083 0.000 1.026 103 Y CA 0.306 58.351 58.100 -0.091 0.000 1.135 103 Y CB 0.680 39.084 38.460 -0.093 0.000 1.175 103 Y HN 1.990 nan 8.280 nan 0.000 0.643 104 G N 3.245 111.932 108.800 -0.187 0.000 2.684 104 G HA2 -0.476 3.483 3.960 -0.000 0.000 0.332 104 G HA3 -0.476 3.483 3.960 -0.000 0.000 0.332 104 G C 1.348 176.091 174.900 -0.262 0.000 1.306 104 G CA 1.058 46.012 45.100 -0.243 0.000 1.002 104 G HN 0.703 nan 8.290 nan 0.000 0.545 105 E N 0.548 120.577 120.200 -0.284 0.000 2.171 105 E HA -0.006 4.343 4.350 -0.000 0.000 0.197 105 E C 2.660 179.047 176.600 -0.355 0.000 0.997 105 E CA 1.969 58.223 56.400 -0.244 0.000 0.810 105 E CB -0.459 29.126 29.700 -0.192 0.000 0.738 105 E HN 1.076 nan 8.360 nan 0.000 0.467 106 A N 1.542 124.136 122.820 -0.377 0.000 2.070 106 A HA -0.167 4.152 4.320 -0.000 0.000 0.220 106 A C 1.494 178.707 177.584 -0.619 0.000 1.159 106 A CA 1.557 53.378 52.037 -0.360 0.000 0.656 106 A CB -0.084 18.867 19.000 -0.081 0.000 0.800 106 A HN 0.205 nan 8.150 nan 0.000 0.453 107 D N -2.072 118.007 120.400 -0.535 0.000 2.462 107 D HA 0.258 4.897 4.640 -0.000 0.000 0.221 107 D C -0.786 175.258 176.300 -0.428 0.000 1.173 107 D CA -0.270 53.416 54.000 -0.524 0.000 0.831 107 D CB 0.081 40.775 40.800 -0.175 0.000 1.001 107 D HN 0.414 nan 8.370 nan 0.000 0.499 108 Y N -0.331 119.936 120.300 -0.055 0.000 3.929 108 Y HA -0.236 4.314 4.550 -0.000 0.000 0.225 108 Y C 0.201 176.094 175.900 -0.012 0.000 1.200 108 Y CA 0.219 58.295 58.100 -0.040 0.000 1.791 108 Y CB -2.566 35.874 38.460 -0.033 0.000 1.561 108 Y HN 0.144 nan 8.280 nan 0.000 0.657 109 L N 1.735 122.955 121.223 -0.004 0.000 2.594 109 L HA 0.323 4.662 4.340 -0.000 0.000 0.245 109 L C -2.189 174.651 176.870 -0.050 0.000 1.460 109 L CA -1.563 53.262 54.840 -0.025 0.000 0.865 109 L CB 1.274 43.292 42.059 -0.067 0.000 1.131 109 L HN -0.179 nan 8.230 nan 0.000 0.506 110 P HA 0.027 nan 4.420 nan 0.000 0.261 110 P C 0.935 178.267 177.300 0.053 0.000 1.183 110 P CA 1.198 64.308 63.100 0.017 0.000 0.761 110 P CB 1.209 32.947 31.700 0.063 0.000 0.785 111 G N 1.573 110.357 108.800 -0.027 0.000 2.175 111 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 111 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 111 G C -0.474 174.384 174.900 -0.069 0.000 0.982 111 G CA 0.078 45.151 45.100 -0.046 0.000 0.641 111 G HN 0.646 nan 8.290 nan 0.000 0.527 112 L N 1.096 122.272 121.223 -0.078 0.000 2.341 112 L HA 0.886 5.225 4.340 -0.000 0.000 0.278 112 L C -0.452 176.396 176.870 -0.038 0.000 1.005 112 L CA -1.225 53.572 54.840 -0.071 0.000 0.818 112 L CB 1.429 43.418 42.059 -0.116 0.000 1.259 112 L HN 0.139 nan 8.230 nan 0.000 0.418 113 I N 5.359 125.929 120.570 -0.000 0.000 2.533 113 I HA 0.558 4.728 4.170 -0.000 0.000 0.290 113 I C -1.198 174.943 176.117 0.041 0.000 1.056 113 I CA -0.827 60.497 61.300 0.041 0.000 1.057 113 I CB 2.251 40.298 38.000 0.079 0.000 1.240 113 I HN 0.268 nan 8.210 nan 0.000 0.423 114 V N 4.709 124.644 119.914 0.035 0.000 2.577 114 V HA 0.429 4.549 4.120 -0.000 0.000 0.303 114 V C -1.035 175.048 176.094 -0.018 0.000 1.042 114 V CA -0.676 61.640 62.300 0.027 0.000 0.872 114 V CB 2.227 34.069 31.823 0.032 0.000 0.998 114 V HN 0.589 nan 8.190 nan 0.000 0.423 115 D N 3.319 123.683 120.400 -0.060 0.000 2.256 115 D HA 0.422 5.062 4.640 -0.000 0.000 0.246 115 D C -0.387 175.665 176.300 -0.414 0.000 1.042 115 D CA -0.494 53.347 54.000 -0.266 0.000 0.841 115 D CB 2.620 43.237 40.800 -0.304 0.000 1.223 115 D HN 0.434 nan 8.370 nan 0.000 0.470 116 R N 2.342 122.472 120.500 -0.616 0.000 2.338 116 R HA 0.380 4.720 4.340 -0.000 0.000 0.317 116 R C -1.247 174.613 176.300 -0.734 0.000 0.968 116 R CA -0.468 55.283 56.100 -0.582 0.000 0.849 116 R CB 0.406 30.274 30.300 -0.720 0.000 1.128 116 R HN 0.183 nan 8.270 nan 0.000 0.448 117 F N 5.930 125.796 119.950 -0.139 0.000 2.451 117 F HA 0.325 4.852 4.527 -0.000 0.000 0.367 117 F C 0.445 176.192 175.800 -0.089 0.000 1.100 117 F CA -0.647 57.295 58.000 -0.097 0.000 1.171 117 F CB 0.607 39.570 39.000 -0.061 0.000 1.405 117 F HN 0.730 nan 8.300 nan 0.000 0.482 118 N N 1.306 120.016 118.700 0.016 0.000 1.629 118 N HA -0.296 4.443 4.740 -0.000 0.000 0.153 118 N C 0.857 176.367 175.510 0.000 0.000 0.652 118 N CA 1.985 55.041 53.050 0.009 0.000 1.156 118 N CB -0.858 37.650 38.487 0.035 0.000 1.324 118 N HN 0.626 nan 8.380 nan 0.000 0.449 119 D N 1.739 122.151 120.400 0.021 0.000 2.342 119 D HA 0.228 4.867 4.640 -0.000 0.000 0.221 119 D C 0.423 176.742 176.300 0.033 0.000 1.101 119 D CA 0.239 54.250 54.000 0.019 0.000 0.837 119 D CB -0.260 40.548 40.800 0.014 0.000 0.938 119 D HN 0.557 nan 8.370 nan 0.000 0.508 120 I N 0.874 121.480 120.570 0.060 0.000 2.406 120 I HA 0.504 4.674 4.170 -0.000 0.000 0.290 120 I C -0.381 175.808 176.117 0.121 0.000 0.999 120 I CA -1.145 60.214 61.300 0.098 0.000 1.124 120 I CB 2.030 40.097 38.000 0.112 0.000 1.289 120 I HN -0.077 nan 8.210 nan 0.000 0.441 121 A N 4.415 127.301 122.820 0.111 0.000 2.288 121 A HA 0.621 4.941 4.320 -0.000 0.000 0.320 121 A C -0.330 177.357 177.584 0.172 0.000 1.217 121 A CA -0.441 51.649 52.037 0.088 0.000 0.840 121 A CB 1.346 20.377 19.000 0.051 0.000 1.179 121 A HN 0.598 nan 8.150 nan 0.000 0.504 122 S N 2.520 118.335 115.700 0.193 0.000 2.429 122 S HA 0.576 5.045 4.470 -0.000 0.000 0.302 122 S C -0.568 174.135 174.600 0.171 0.000 1.115 122 S CA -0.495 57.858 58.200 0.256 0.000 1.095 122 S CB 0.184 63.584 63.200 0.333 0.000 0.987 122 S HN 0.820 nan 8.310 nan 0.000 0.474 123 L N 5.191 126.514 121.223 0.166 0.000 2.317 123 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 123 L C -0.985 175.943 176.870 0.096 0.000 1.024 123 L CA -0.315 54.585 54.840 0.101 0.000 0.810 123 L CB 1.365 43.465 42.059 0.069 0.000 1.240 123 L HN 0.688 nan 8.230 nan 0.000 0.427 124 Q N 6.010 125.850 119.800 0.068 0.000 2.285 124 Q HA 0.543 4.883 4.340 -0.000 0.000 0.269 124 Q C -1.457 174.555 176.000 0.020 0.000 1.030 124 Q CA -0.473 55.364 55.803 0.057 0.000 0.788 124 Q CB 3.053 31.837 28.738 0.076 0.000 1.266 124 Q HN 0.616 nan 8.270 nan 0.000 0.438 125 I N 1.401 121.973 120.570 0.003 0.000 2.465 125 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 125 I C 0.562 176.662 176.117 -0.029 0.000 1.014 125 I CA -0.331 60.952 61.300 -0.028 0.000 1.093 125 I CB 1.991 39.965 38.000 -0.044 0.000 1.267 125 I HN 0.718 nan 8.210 nan 0.000 0.431 126 S N 1.993 117.669 115.700 -0.040 0.000 2.578 126 S HA 0.209 4.678 4.470 -0.000 0.000 0.231 126 S C 0.298 174.869 174.600 -0.047 0.000 0.994 126 S CA -0.345 57.835 58.200 -0.033 0.000 0.956 126 S CB 0.047 63.233 63.200 -0.023 0.000 0.870 126 S HN 0.629 nan 8.310 nan 0.000 0.494 127 S N -0.101 115.549 115.700 -0.083 0.000 2.548 127 S HA 0.831 5.301 4.470 -0.000 0.000 0.286 127 S C 0.849 175.353 174.600 -0.161 0.000 1.098 127 S CA -0.320 57.815 58.200 -0.109 0.000 0.930 127 S CB 1.530 64.657 63.200 -0.122 0.000 1.070 127 S HN 0.341 nan 8.310 nan 0.000 0.480 128 A N 2.650 125.388 122.820 -0.135 0.000 1.969 128 A HA 0.342 4.662 4.320 -0.000 0.000 0.218 128 A C 1.436 178.883 177.584 -0.228 0.000 1.169 128 A CA 1.136 53.094 52.037 -0.133 0.000 0.635 128 A CB -1.444 17.511 19.000 -0.074 0.000 0.810 128 A HN 1.323 nan 8.150 nan 0.000 0.445 132 R N -0.234 120.198 120.500 -0.114 0.000 2.237 132 R HA 0.067 4.406 4.340 -0.000 0.000 0.219 132 R C 0.456 176.527 176.300 -0.381 0.000 1.080 132 R CA 1.249 57.196 56.100 -0.255 0.000 0.995 132 R CB -0.092 29.994 30.300 -0.357 0.000 0.875 132 R HN 0.102 nan 8.270 nan 0.000 0.462 133 F N -0.128 119.839 119.950 0.028 0.000 2.708 133 F HA 0.241 4.767 4.527 -0.000 0.000 0.300 133 F C 1.719 177.543 175.800 0.039 0.000 1.118 133 F CA -0.477 57.582 58.000 0.099 0.000 1.307 133 F CB 0.315 39.473 39.000 0.263 0.000 0.986 133 F HN -0.193 nan 8.300 nan 0.000 0.522 134 K N 0.687 121.148 120.400 0.101 0.000 2.020 134 K HA -0.222 4.097 4.320 -0.000 0.000 0.212 134 K C 2.070 178.707 176.600 0.061 0.000 1.050 134 K CA 1.668 57.987 56.287 0.053 0.000 0.929 134 K CB -0.212 32.291 32.500 0.004 0.000 0.714 134 K HN 0.312 nan 8.250 nan 0.000 0.443 135 L N 1.525 122.780 121.223 0.053 0.000 2.093 135 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 135 L C 1.475 178.399 176.870 0.089 0.000 1.085 135 L CA 1.837 56.707 54.840 0.051 0.000 0.755 135 L CB -0.464 41.613 42.059 0.029 0.000 0.904 135 L HN 0.216 nan 8.230 nan 0.000 0.435 136 D N -0.999 119.487 120.400 0.144 0.000 2.117 136 D HA -0.189 4.450 4.640 -0.000 0.000 0.197 136 D C 2.353 178.764 176.300 0.185 0.000 0.987 136 D CA 1.657 55.774 54.000 0.194 0.000 0.829 136 D CB -0.342 40.657 40.800 0.331 0.000 0.961 136 D HN 0.338 nan 8.370 nan 0.000 0.460 137 V N 0.886 120.906 119.914 0.176 0.000 2.358 137 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 137 V C 2.171 178.316 176.094 0.086 0.000 1.047 137 V CA 2.174 64.545 62.300 0.119 0.000 1.035 137 V CB -0.433 31.415 31.823 0.043 0.000 0.658 137 V HN 0.161 nan 8.190 nan 0.000 0.452 138 A N -0.195 122.668 122.820 0.072 0.000 1.908 138 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 138 A C 2.041 179.661 177.584 0.061 0.000 1.181 138 A CA 2.076 54.147 52.037 0.056 0.000 0.627 138 A CB -0.667 18.358 19.000 0.040 0.000 0.818 138 A HN 0.724 nan 8.150 nan 0.000 0.445 139 E N -0.258 119.982 120.200 0.068 0.000 2.077 139 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 139 E C 2.321 178.963 176.600 0.070 0.000 0.989 139 E CA 0.904 57.342 56.400 0.064 0.000 0.800 139 E CB -0.316 29.424 29.700 0.066 0.000 0.746 139 E HN 0.617 nan 8.360 nan 0.000 0.452 140 A N 1.455 124.328 122.820 0.088 0.000 1.902 140 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 140 A C 1.511 179.143 177.584 0.080 0.000 1.181 140 A CA 0.724 52.816 52.037 0.092 0.000 0.623 140 A CB -0.616 18.457 19.000 0.122 0.000 0.818 140 A HN 0.082 nan 8.150 nan 0.000 0.443 144 V N -0.281 119.669 119.914 0.059 0.000 3.354 144 V HA 0.235 4.355 4.120 -0.000 0.000 0.258 144 V C 0.471 176.604 176.094 0.065 0.000 1.159 144 V CA 0.905 63.242 62.300 0.061 0.000 1.125 144 V CB 0.484 32.348 31.823 0.069 0.000 0.774 144 V HN 0.093 nan 8.190 nan 0.000 0.464 145 E N 2.005 122.245 120.200 0.068 0.000 2.675 145 E HA 0.400 4.750 4.350 -0.000 0.000 0.236 145 E C -1.702 174.933 176.600 0.059 0.000 1.059 145 E CA -2.515 53.929 56.400 0.073 0.000 0.775 145 E CB 1.509 31.265 29.700 0.093 0.000 1.356 145 E HN 0.273 nan 8.360 nan 0.000 0.403 146 P HA -0.097 nan 4.420 nan 0.000 0.223 146 P C 1.104 178.428 177.300 0.039 0.000 1.144 146 P CA 0.892 64.017 63.100 0.041 0.000 0.783 146 P CB 0.321 32.042 31.700 0.036 0.000 0.771 147 G N -0.030 108.798 108.800 0.047 0.000 2.471 147 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.219 147 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.219 147 G C 0.805 175.724 174.900 0.031 0.000 1.125 147 G CA 0.078 45.203 45.100 0.042 0.000 0.775 147 G HN 0.191 nan 8.290 nan 0.000 0.548 148 I N 1.205 121.795 120.570 0.034 0.000 2.325 148 I HA 0.231 4.400 4.170 -0.000 0.000 0.291 148 I C 0.499 176.634 176.117 0.030 0.000 1.019 148 I CA -0.117 61.201 61.300 0.030 0.000 1.302 148 I CB 1.140 39.161 38.000 0.035 0.000 1.401 148 I HN 0.222 nan 8.210 nan 0.000 0.485 149 E N 3.138 123.353 120.200 0.026 0.000 2.511 149 E HA 0.135 4.485 4.350 -0.000 0.000 0.209 149 E C -0.361 176.251 176.600 0.020 0.000 0.986 149 E CA 0.267 56.678 56.400 0.019 0.000 0.974 149 E CB 0.896 30.602 29.700 0.010 0.000 1.030 149 E HN 0.554 nan 8.360 nan 0.000 0.490 150 T N 0.780 115.355 114.554 0.034 0.000 3.032 150 T HA 0.311 4.660 4.350 -0.000 0.000 0.312 150 T C -0.912 173.839 174.700 0.084 0.000 1.078 150 T CA -0.484 61.645 62.100 0.049 0.000 1.028 150 T CB 2.528 71.424 68.868 0.046 0.000 1.091 150 T HN -0.237 nan 8.240 nan 0.000 0.457 151 V N 3.875 123.840 119.914 0.085 0.000 2.350 151 V HA 0.501 4.621 4.120 -0.000 0.000 0.285 151 V C -0.794 175.379 176.094 0.131 0.000 1.014 151 V CA -0.820 61.541 62.300 0.103 0.000 0.831 151 V CB 0.829 32.689 31.823 0.062 0.000 1.000 151 V HN 0.860 nan 8.190 nan 0.000 0.433 152 F N 3.918 123.901 119.950 0.056 0.000 2.415 152 F HA 0.461 4.988 4.527 -0.000 0.000 0.348 152 F C 0.532 176.371 175.800 0.066 0.000 1.119 152 F CA -0.388 57.653 58.000 0.069 0.000 1.069 152 F CB 1.230 40.285 39.000 0.092 0.000 1.124 152 F HN 0.586 nan 8.300 nan 0.000 0.472 153 E N 6.417 126.428 120.200 -0.316 0.000 2.089 153 E HA 0.161 4.510 4.350 -0.000 0.000 0.284 153 E C -0.953 175.650 176.600 0.005 0.000 1.023 153 E CA -0.390 55.940 56.400 -0.117 0.000 0.819 153 E CB 0.518 30.115 29.700 -0.172 0.000 1.076 153 E HN 0.584 nan 8.360 nan 0.000 0.396 154 K N 4.427 124.961 120.400 0.224 0.000 2.655 154 K HA 0.225 4.545 4.320 -0.000 0.000 0.213 154 K C -0.636 176.046 176.600 0.138 0.000 1.126 154 K CA -0.433 56.015 56.287 0.268 0.000 1.076 154 K CB 0.322 32.998 32.500 0.293 0.000 1.644 154 K HN 0.360 nan 8.250 nan 0.000 0.523 155 N N 2.564 121.313 118.700 0.081 0.000 3.322 155 N HA 0.048 4.787 4.740 -0.000 0.000 0.290 155 N C -0.578 174.960 175.510 0.046 0.000 1.297 155 N CA 0.162 53.241 53.050 0.049 0.000 1.167 155 N CB 0.934 39.431 38.487 0.016 0.000 1.434 155 N HN 0.443 nan 8.380 nan 0.000 0.526 156 T N -3.191 111.400 114.554 0.062 0.000 2.838 156 T HA 0.869 5.219 4.350 -0.000 0.000 0.292 156 T C 0.297 175.030 174.700 0.054 0.000 1.113 156 T CA -0.499 61.634 62.100 0.054 0.000 1.008 156 T CB 2.437 71.343 68.868 0.063 0.000 1.259 156 T HN 0.346 nan 8.240 nan 0.000 0.520 157 G N 0.940 109.767 108.800 0.046 0.000 2.603 157 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.686 157 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.686 157 G C 0.407 175.326 174.900 0.031 0.000 1.286 157 G CA 0.134 45.260 45.100 0.043 0.000 0.871 157 G HN 1.121 nan 8.290 nan 0.000 0.568 158 R N -0.404 120.111 120.500 0.025 0.000 2.081 158 R HA -0.060 4.279 4.340 -0.000 0.000 0.235 158 R C 2.753 179.062 176.300 0.015 0.000 1.131 158 R CA 2.570 58.681 56.100 0.017 0.000 0.960 158 R CB -0.810 29.495 30.300 0.008 0.000 0.856 158 R HN 1.132 nan 8.270 nan 0.000 0.436 159 S N 0.676 116.383 115.700 0.013 0.000 2.419 159 S HA -0.173 4.296 4.470 -0.000 0.000 0.235 159 S C 2.057 176.664 174.600 0.011 0.000 1.019 159 S CA 1.280 59.486 58.200 0.009 0.000 0.982 159 S CB -0.174 63.033 63.200 0.012 0.000 0.789 159 S HN 0.352 nan 8.310 nan 0.000 0.490 160 R N 1.478 121.988 120.500 0.017 0.000 2.090 160 R HA 0.281 4.621 4.340 -0.000 0.000 0.219 160 R C 2.342 178.648 176.300 0.010 0.000 1.100 160 R CA 0.850 56.958 56.100 0.013 0.000 0.991 160 R CB -0.339 29.973 30.300 0.020 0.000 0.893 160 R HN 0.388 nan 8.270 nan 0.000 0.443 161 R N -0.192 120.317 120.500 0.015 0.000 2.280 161 R HA 0.032 4.372 4.340 -0.000 0.000 0.207 161 R C 2.047 178.357 176.300 0.016 0.000 1.043 161 R CA 0.697 56.806 56.100 0.015 0.000 1.006 161 R CB -0.145 30.166 30.300 0.018 0.000 0.885 161 R HN 0.147 nan 8.270 nan 0.000 0.467 162 R N 1.673 122.183 120.500 0.017 0.000 2.070 162 R HA -0.129 4.211 4.340 -0.000 0.000 0.233 162 R C 0.971 177.283 176.300 0.020 0.000 1.137 162 R CA 1.517 57.631 56.100 0.023 0.000 0.945 162 R CB 0.136 30.451 30.300 0.023 0.000 0.845 162 R HN 0.173 nan 8.270 nan 0.000 0.430 163 E N -0.751 119.455 120.200 0.011 0.000 2.368 163 E HA 0.105 4.455 4.350 -0.000 0.000 0.188 163 E C 0.065 176.666 176.600 0.002 0.000 1.061 163 E CA 0.354 56.758 56.400 0.006 0.000 0.933 163 E CB 0.764 30.461 29.700 -0.005 0.000 1.091 163 E HN 0.652 nan 8.360 nan 0.000 0.458 164 G N 1.886 110.690 108.800 0.005 0.000 2.249 164 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 164 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 164 G C 0.139 175.037 174.900 -0.003 0.000 1.036 164 G CA 0.209 45.311 45.100 0.003 0.000 0.824 164 G HN 0.214 nan 8.290 nan 0.000 0.504 165 L N 0.965 122.184 121.223 -0.006 0.000 2.357 165 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 165 L C -1.164 175.702 176.870 -0.007 0.000 1.080 165 L CA -2.274 52.558 54.840 -0.012 0.000 0.803 165 L CB 0.985 43.033 42.059 -0.019 0.000 1.174 165 L HN 0.005 nan 8.230 nan 0.000 0.443 166 P HA 0.060 nan 4.420 nan 0.000 0.271 166 P C -1.025 176.273 177.300 -0.004 0.000 1.216 166 P CA -0.242 62.854 63.100 -0.007 0.000 0.776 166 P CB 0.619 32.312 31.700 -0.012 0.000 0.881 167 E N 2.672 122.874 120.200 0.003 0.000 2.259 167 E HA 0.392 4.741 4.350 -0.000 0.000 0.281 167 E C -0.117 176.485 176.600 0.004 0.000 1.037 167 E CA -0.224 56.181 56.400 0.009 0.000 0.854 167 E CB 0.528 30.238 29.700 0.016 0.000 1.051 167 E HN 0.431 nan 8.360 nan 0.000 0.409 168 I N 2.191 122.763 120.570 0.004 0.000 2.656 168 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 168 I C -0.593 175.518 176.117 -0.011 0.000 1.144 168 I CA -0.520 60.773 61.300 -0.013 0.000 1.038 168 I CB 2.323 40.304 38.000 -0.032 0.000 1.244 168 I HN 0.460 nan 8.210 nan 0.000 0.420 169 E N 7.488 127.675 120.200 -0.022 0.000 2.283 169 E HA 0.632 4.982 4.350 -0.000 0.000 0.258 169 E C -1.427 175.081 176.600 -0.154 0.000 0.893 169 E CA -0.594 55.799 56.400 -0.012 0.000 0.798 169 E CB 1.702 31.483 29.700 0.135 0.000 1.242 169 E HN 0.743 nan 8.360 nan 0.000 0.414 170 R N 0.549 120.702 120.500 -0.579 0.000 2.829 170 R HA 0.276 4.616 4.340 -0.000 0.000 0.283 170 R C -1.574 174.144 176.300 -0.970 0.000 1.013 170 R CA -0.924 54.828 56.100 -0.581 0.000 0.848 170 R CB 0.380 30.546 30.300 -0.222 0.000 1.291 170 R HN 0.096 nan 8.270 nan 0.000 0.496 171 V N 2.394 122.041 119.914 -0.445 0.000 2.479 171 V HA 0.057 4.177 4.120 -0.000 0.000 0.281 171 V C 1.340 177.325 176.094 -0.181 0.000 1.031 171 V CA -0.047 62.110 62.300 -0.238 0.000 1.038 171 V CB 1.044 32.871 31.823 0.007 0.000 0.981 171 V HN 0.642 nan 8.190 nan 0.000 0.478 172 L N 4.668 125.800 121.223 -0.152 0.000 2.202 172 L HA 0.314 4.653 4.340 -0.000 0.000 0.205 172 L C 0.166 177.014 176.870 -0.036 0.000 1.083 172 L CA 0.996 55.782 54.840 -0.089 0.000 0.790 172 L CB 0.576 42.593 42.059 -0.070 0.000 0.942 172 L HN 0.503 nan 8.230 nan 0.000 0.452 173 L N -1.318 119.896 121.223 -0.014 0.000 2.556 173 L HA 0.675 5.014 4.340 -0.000 0.000 0.257 173 L C -0.300 176.576 176.870 0.010 0.000 0.955 173 L CA 0.531 55.373 54.840 0.003 0.000 0.850 173 L CB 1.741 43.809 42.059 0.015 0.000 1.398 173 L HN 0.231 nan 8.230 nan 0.000 0.412 174 G N 2.303 111.107 108.800 0.007 0.000 2.587 174 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.212 174 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.212 174 G C -0.981 173.914 174.900 -0.008 0.000 1.327 174 G CA -0.300 44.804 45.100 0.006 0.000 0.898 174 G HN 0.724 nan 8.290 nan 0.000 0.551 175 K N 0.543 120.934 120.400 -0.015 0.000 2.355 175 K HA 0.325 4.644 4.320 -0.000 0.000 0.270 175 K C 0.137 176.691 176.600 -0.077 0.000 1.003 175 K CA -0.001 56.263 56.287 -0.039 0.000 0.957 175 K CB 0.831 33.308 32.500 -0.039 0.000 0.939 175 K HN 0.509 nan 8.250 nan 0.000 0.482 176 E N 3.166 123.298 120.200 -0.113 0.000 1.814 176 E HA -0.002 4.348 4.350 -0.000 0.000 0.264 176 E C -1.027 175.322 176.600 -0.418 0.000 1.179 176 E CA 0.193 56.457 56.400 -0.227 0.000 0.972 176 E CB 0.044 29.657 29.700 -0.146 0.000 1.077 176 E HN 0.282 nan 8.360 nan 0.000 0.417 177 K N 3.177 123.303 120.400 -0.457 0.000 2.427 177 K HA 0.270 4.590 4.320 -0.000 0.000 0.252 177 K C -0.791 175.536 176.600 -0.455 0.000 0.931 177 K CA -0.566 55.460 56.287 -0.435 0.000 0.793 177 K CB 0.773 33.172 32.500 -0.169 0.000 1.211 177 K HN 0.401 nan 8.250 nan 0.000 0.426 178 Y N 1.393 121.683 120.300 -0.017 0.000 2.452 178 Y HA 0.281 4.830 4.550 -0.000 0.000 0.262 178 Y C 0.638 176.430 175.900 -0.180 0.000 1.089 178 Y CA -0.692 57.334 58.100 -0.122 0.000 1.262 178 Y CB 0.867 39.258 38.460 -0.114 0.000 1.236 178 Y HN 0.370 nan 8.280 nan 0.000 0.512 179 R N 0.594 121.107 120.500 0.022 0.000 2.740 179 R HA 0.663 5.003 4.340 -0.000 0.000 0.282 179 R C -1.305 174.960 176.300 -0.058 0.000 0.969 179 R CA -0.264 55.807 56.100 -0.047 0.000 0.918 179 R CB 2.171 32.455 30.300 -0.026 0.000 1.175 179 R HN -0.025 nan 8.270 nan 0.000 0.464 180 T N 3.483 117.986 114.554 -0.084 0.000 2.840 180 T HA 0.426 4.776 4.350 -0.000 0.000 0.317 180 T C -1.486 173.169 174.700 -0.075 0.000 1.401 180 T CA -0.679 61.385 62.100 -0.060 0.000 1.028 180 T CB 1.031 69.883 68.868 -0.027 0.000 1.317 180 T HN 0.376 nan 8.240 nan 0.000 0.495 181 I N 5.206 125.741 120.570 -0.058 0.000 2.321 181 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 181 I C 0.515 176.603 176.117 -0.048 0.000 0.998 181 I CA -0.867 60.390 61.300 -0.072 0.000 1.227 181 I CB 0.813 38.767 38.000 -0.077 0.000 1.368 181 I HN 0.616 nan 8.210 nan 0.000 0.466 182 I N 3.294 123.835 120.570 -0.049 0.000 2.577 182 I HA 0.630 4.800 4.170 -0.000 0.000 0.305 182 I C -0.399 175.707 176.117 -0.019 0.000 0.986 182 I CA -0.938 60.360 61.300 -0.003 0.000 1.189 182 I CB 1.753 39.788 38.000 0.058 0.000 1.355 182 I HN 0.449 nan 8.210 nan 0.000 0.476 183 Q N 3.327 123.134 119.800 0.011 0.000 2.307 183 Q HA 0.365 4.704 4.340 -0.000 0.000 0.262 183 Q C -1.222 174.824 176.000 0.077 0.000 0.961 183 Q CA -0.292 55.516 55.803 0.009 0.000 0.882 183 Q CB 1.473 30.212 28.738 0.002 0.000 1.264 183 Q HN 0.745 nan 8.270 nan 0.000 0.446 184 E N 3.570 123.852 120.200 0.135 0.000 2.267 184 E HA 0.502 4.852 4.350 -0.000 0.000 0.248 184 E C 0.012 176.764 176.600 0.252 0.000 0.899 184 E CA 0.110 56.652 56.400 0.237 0.000 0.764 184 E CB 0.213 30.182 29.700 0.449 0.000 1.227 184 E HN 0.901 nan 8.360 nan 0.000 0.421 185 G N 4.430 113.327 108.800 0.162 0.000 2.561 185 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.289 185 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.289 185 G C 0.532 175.488 174.900 0.094 0.000 1.169 185 G CA 0.293 45.482 45.100 0.149 0.000 0.980 185 G HN 0.626 nan 8.290 nan 0.000 0.550 186 R N 1.212 121.764 120.500 0.088 0.000 2.359 186 R HA 0.550 4.890 4.340 -0.000 0.000 0.231 186 R C 0.900 177.150 176.300 -0.084 0.000 0.913 186 R CA 0.566 56.669 56.100 0.006 0.000 1.075 186 R CB 0.398 30.707 30.300 0.014 0.000 1.087 186 R HN 0.759 nan 8.270 nan 0.000 0.515 187 A N 1.355 124.094 122.820 -0.135 0.000 2.325 187 A HA 0.514 4.834 4.320 -0.000 0.000 0.333 187 A C -0.561 176.749 177.584 -0.457 0.000 1.155 187 A CA -0.579 51.215 52.037 -0.405 0.000 0.814 187 A CB 0.952 19.520 19.000 -0.720 0.000 1.206 187 A HN 0.068 nan 8.150 nan 0.000 0.482 188 K N 0.495 120.492 120.400 -0.672 0.000 2.259 188 K HA 0.682 5.002 4.320 -0.000 0.000 0.252 188 K C -1.791 174.259 176.600 -0.917 0.000 0.936 188 K CA -0.082 55.876 56.287 -0.549 0.000 0.810 188 K CB 1.760 34.064 32.500 -0.327 0.000 1.143 188 K HN 0.566 nan 8.250 nan 0.000 0.427 189 F N 1.720 121.479 119.950 -0.318 0.000 2.569 189 F HA 0.431 4.958 4.527 -0.000 0.000 0.312 189 F C -0.077 175.528 175.800 -0.326 0.000 1.109 189 F CA -0.971 56.789 58.000 -0.399 0.000 0.919 189 F CB 1.301 39.822 39.000 -0.799 0.000 1.211 189 F HN 0.199 nan 8.300 nan 0.000 0.446 190 I N 3.714 124.239 120.570 -0.075 0.000 2.416 190 I HA 0.360 4.529 4.170 -0.000 0.000 0.288 190 I C -0.754 175.271 176.117 -0.153 0.000 1.051 190 I CA -0.577 60.655 61.300 -0.114 0.000 1.375 190 I CB 0.840 38.777 38.000 -0.105 0.000 1.407 190 I HN 0.198 nan 8.210 nan 0.000 0.516 191 V N 5.670 125.462 119.914 -0.203 0.000 2.444 191 V HA 0.419 4.539 4.120 -0.000 0.000 0.294 191 V C -0.328 175.590 176.094 -0.294 0.000 1.022 191 V CA -0.526 61.584 62.300 -0.317 0.000 0.850 191 V CB 1.829 33.329 31.823 -0.538 0.000 0.992 191 V HN 0.677 nan 8.190 nan 0.000 0.426 195 G N 1.369 110.140 108.800 -0.048 0.000 2.698 195 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.225 195 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.225 195 G C -0.141 174.757 174.900 -0.004 0.000 1.345 195 G CA 0.284 45.370 45.100 -0.024 0.000 0.871 195 G HN 0.608 nan 8.290 nan 0.000 0.540 196 Q N -1.417 118.400 119.800 0.028 0.000 2.140 196 Q HA 0.315 4.654 4.340 -0.000 0.000 0.227 196 Q C 1.018 177.112 176.000 0.157 0.000 0.798 196 Q CA 0.175 56.027 55.803 0.081 0.000 0.987 196 Q CB 0.214 29.013 28.738 0.102 0.000 1.161 196 Q HN 0.261 nan 8.270 nan 0.000 0.480 197 K N -0.230 120.216 120.400 0.078 0.000 2.618 197 K HA 0.254 4.574 4.320 -0.000 0.000 0.207 197 K C -0.508 176.023 176.600 -0.116 0.000 1.058 197 K CA 0.222 56.536 56.287 0.045 0.000 1.086 197 K CB 1.173 33.693 32.500 0.033 0.000 0.827 197 K HN -0.061 nan 8.250 nan 0.000 0.481 198 T N -1.162 113.326 114.554 -0.110 0.000 3.460 198 T HA 0.280 4.630 4.350 -0.000 0.000 0.304 198 T C 0.414 175.011 174.700 -0.172 0.000 0.991 198 T CA -0.498 61.505 62.100 -0.162 0.000 0.975 198 T CB 0.968 69.751 68.868 -0.141 0.000 1.196 198 T HN 0.240 nan 8.240 nan 0.000 0.490 199 G N 0.816 109.537 108.800 -0.132 0.000 2.671 199 G HA2 0.756 4.716 3.960 -0.000 0.000 0.275 199 G HA3 0.756 4.716 3.960 -0.000 0.000 0.275 199 G C -1.651 173.243 174.900 -0.011 0.000 1.368 199 G CA -0.802 44.209 45.100 -0.148 0.000 1.044 199 G HN 0.224 nan 8.290 nan 0.000 0.543 200 F N -0.831 118.933 119.950 -0.310 0.000 2.623 200 F HA 0.566 5.093 4.527 -0.000 0.000 0.323 200 F C -1.768 173.907 175.800 -0.208 0.000 1.158 200 F CA -1.603 56.288 58.000 -0.182 0.000 1.030 200 F CB 1.421 40.308 39.000 -0.188 0.000 1.280 200 F HN 0.303 nan 8.300 nan 0.000 0.474 201 F N 6.712 126.439 119.950 -0.371 0.000 2.410 201 F HA 0.391 4.918 4.527 -0.000 0.000 0.349 201 F C 0.930 176.477 175.800 -0.420 0.000 1.117 201 F CA -0.471 57.380 58.000 -0.247 0.000 1.104 201 F CB 1.340 40.218 39.000 -0.204 0.000 1.122 201 F HN 0.426 nan 8.300 nan 0.000 0.483 202 L N 1.975 123.234 121.223 0.059 0.000 2.492 202 L HA -0.087 4.253 4.340 -0.000 0.000 0.223 202 L C 1.796 178.637 176.870 -0.048 0.000 1.132 202 L CA 0.294 55.158 54.840 0.040 0.000 0.850 202 L CB -0.421 41.745 42.059 0.177 0.000 0.966 202 L HN 0.627 nan 8.230 nan 0.000 0.454 203 D N -0.680 119.606 120.400 -0.190 0.000 2.218 203 D HA -0.228 4.412 4.640 -0.000 0.000 0.204 203 D C 1.721 177.827 176.300 -0.324 0.000 0.976 203 D CA 1.006 54.643 54.000 -0.605 0.000 0.853 203 D CB -0.209 40.217 40.800 -0.623 0.000 0.939 203 D HN 0.256 nan 8.370 nan 0.000 0.481 204 Q N -0.089 119.580 119.800 -0.219 0.000 2.320 204 Q HA 0.085 4.425 4.340 -0.000 0.000 0.201 204 Q C 1.855 177.743 176.000 -0.187 0.000 0.910 204 Q CA -0.187 55.519 55.803 -0.163 0.000 0.946 204 Q CB 0.379 29.034 28.738 -0.139 0.000 1.062 204 Q HN 0.476 nan 8.270 nan 0.000 0.503 205 R N 1.334 121.737 120.500 -0.162 0.000 2.136 205 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 205 R C 1.329 177.579 176.300 -0.083 0.000 1.131 205 R CA 1.694 57.731 56.100 -0.105 0.000 0.937 205 R CB 0.195 30.452 30.300 -0.073 0.000 0.863 205 R HN 0.106 nan 8.270 nan 0.000 0.435 206 E N 0.291 120.472 120.200 -0.031 0.000 2.153 206 E HA -0.139 4.210 4.350 -0.000 0.000 0.194 206 E C 1.747 178.359 176.600 0.019 0.000 0.988 206 E CA 0.947 57.349 56.400 0.003 0.000 0.811 206 E CB -0.344 29.377 29.700 0.035 0.000 0.746 206 E HN 0.482 nan 8.360 nan 0.000 0.466 207 N N 0.865 119.603 118.700 0.064 0.000 2.216 207 N HA -0.068 4.672 4.740 -0.000 0.000 0.183 207 N C 1.830 177.499 175.510 0.264 0.000 1.017 207 N CA 0.608 53.820 53.050 0.270 0.000 0.861 207 N CB -0.251 38.478 38.487 0.402 0.000 0.986 207 N HN 0.166 nan 8.380 nan 0.000 0.428 208 R N 0.606 121.006 120.500 -0.167 0.000 2.075 208 R HA 0.070 4.410 4.340 -0.000 0.000 0.232 208 R C 2.212 178.282 176.300 -0.383 0.000 1.126 208 R CA 0.684 56.488 56.100 -0.494 0.000 0.963 208 R CB -0.322 29.544 30.300 -0.724 0.000 0.858 208 R HN 0.197 nan 8.270 nan 0.000 0.435 209 L N -0.015 121.033 121.223 -0.291 0.000 2.093 209 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 209 L C 2.568 179.411 176.870 -0.045 0.000 1.085 209 L CA 1.045 55.769 54.840 -0.192 0.000 0.755 209 L CB -0.481 41.526 42.059 -0.087 0.000 0.904 209 L HN 0.232 nan 8.230 nan 0.000 0.435 210 A N -0.166 122.667 122.820 0.022 0.000 2.067 210 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 210 A C 2.178 179.880 177.584 0.197 0.000 1.158 210 A CA 1.158 53.206 52.037 0.017 0.000 0.661 210 A CB -0.481 18.448 19.000 -0.119 0.000 0.801 210 A HN 0.341 nan 8.150 nan 0.000 0.452 211 L N -0.043 121.432 121.223 0.419 0.000 2.141 211 L HA -0.124 4.215 4.340 -0.000 0.000 0.209 211 L C 2.128 179.219 176.870 0.368 0.000 1.094 211 L CA 1.970 57.181 54.840 0.619 0.000 0.763 211 L CB -0.539 41.877 42.059 0.596 0.000 0.908 211 L HN 0.380 nan 8.230 nan 0.000 0.437 212 E N 0.971 121.284 120.200 0.189 0.000 2.068 212 E HA -0.346 4.004 4.350 -0.000 0.000 0.207 212 E C 2.022 178.631 176.600 0.015 0.000 1.032 212 E CA 2.157 58.626 56.400 0.115 0.000 0.839 212 E CB -0.539 29.203 29.700 0.069 0.000 0.758 212 E HN 0.740 nan 8.360 nan 0.000 0.457 213 K N -0.047 120.249 120.400 -0.173 0.000 2.281 213 K HA -0.165 4.154 4.320 -0.000 0.000 0.203 213 K C 1.739 178.073 176.600 -0.442 0.000 1.046 213 K CA 1.589 57.634 56.287 -0.404 0.000 0.938 213 K CB -0.466 31.618 32.500 -0.694 0.000 0.737 213 K HN 0.191 nan 8.250 nan 0.000 0.458 214 W N 1.476 122.843 121.300 0.111 0.000 3.077 214 W HA 0.191 4.851 4.660 -0.000 0.000 0.266 214 W C -0.071 176.523 176.519 0.124 0.000 1.300 214 W CA -0.875 56.547 57.345 0.129 0.000 1.586 214 W CB 0.483 30.058 29.460 0.192 0.000 1.103 214 W HN -0.248 nan 8.180 nan 0.000 0.652 215 V N 2.190 122.267 119.914 0.272 0.000 2.488 215 V HA 0.117 4.237 4.120 -0.000 0.000 0.277 215 V C 0.011 176.191 176.094 0.144 0.000 1.046 215 V CA -0.217 62.207 62.300 0.207 0.000 0.986 215 V CB 0.691 32.623 31.823 0.180 0.000 0.989 215 V HN -0.124 nan 8.190 nan 0.000 0.475 216 Q N 6.926 126.808 119.800 0.138 0.000 2.282 216 Q HA 0.450 4.790 4.340 -0.000 0.000 0.260 216 Q C -2.457 173.591 176.000 0.080 0.000 0.964 216 Q CA -2.015 53.849 55.803 0.101 0.000 0.880 216 Q CB 1.902 30.705 28.738 0.108 0.000 1.286 216 Q HN 0.437 nan 8.270 nan 0.000 0.445 217 P HA 0.007 nan 4.420 nan 0.000 0.264 217 P C 0.297 177.624 177.300 0.045 0.000 1.183 217 P CA 1.037 64.166 63.100 0.048 0.000 0.763 217 P CB 0.714 32.435 31.700 0.035 0.000 0.807 218 G N 1.892 110.717 108.800 0.041 0.000 2.213 218 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.236 218 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.236 218 G C 0.016 174.939 174.900 0.040 0.000 0.991 218 G CA -0.157 44.963 45.100 0.033 0.000 0.629 218 G HN 0.522 nan 8.290 nan 0.000 0.517 219 D N 0.369 120.805 120.400 0.061 0.000 2.449 219 D HA 0.383 5.023 4.640 -0.000 0.000 0.236 219 D C 0.796 177.144 176.300 0.080 0.000 1.149 219 D CA 0.294 54.340 54.000 0.077 0.000 0.878 219 D CB 0.535 41.400 40.800 0.108 0.000 1.198 219 D HN 0.426 nan 8.370 nan 0.000 0.446 220 R N 1.270 121.827 120.500 0.094 0.000 2.387 220 R HA 0.516 4.856 4.340 -0.000 0.000 0.314 220 R C -1.422 175.049 176.300 0.285 0.000 0.958 220 R CA -0.669 55.514 56.100 0.139 0.000 0.846 220 R CB 0.900 31.208 30.300 0.014 0.000 1.147 220 R HN 0.158 nan 8.270 nan 0.000 0.447 221 V N 5.332 125.413 119.914 0.278 0.000 2.680 221 V HA 0.459 4.579 4.120 -0.000 0.000 0.309 221 V C -1.022 175.072 176.094 0.001 0.000 1.052 221 V CA -0.986 61.419 62.300 0.175 0.000 0.908 221 V CB 1.885 33.775 31.823 0.111 0.000 1.001 221 V HN 0.593 nan 8.190 nan 0.000 0.431 222 L N 3.213 124.253 121.223 -0.305 0.000 2.349 222 L HA 0.700 5.040 4.340 -0.000 0.000 0.278 222 L C -0.918 175.771 176.870 -0.302 0.000 0.996 222 L CA 0.072 54.571 54.840 -0.568 0.000 0.825 222 L CB 1.596 42.882 42.059 -1.289 0.000 1.243 222 L HN 0.672 nan 8.230 nan 0.000 0.412 223 D N 3.716 124.008 120.400 -0.181 0.000 2.472 223 D HA 0.231 4.871 4.640 -0.000 0.000 0.234 223 D C 0.895 177.128 176.300 -0.112 0.000 1.088 223 D CA -0.225 53.727 54.000 -0.080 0.000 0.882 223 D CB 1.406 42.244 40.800 0.063 0.000 1.037 223 D HN 0.384 nan 8.370 nan 0.000 0.520 224 V N 2.892 122.698 119.914 -0.180 0.000 2.407 224 V HA -0.097 4.023 4.120 -0.000 0.000 0.248 224 V C 0.748 176.510 176.094 -0.553 0.000 1.055 224 V CA 1.229 63.306 62.300 -0.373 0.000 1.049 224 V CB -0.511 31.052 31.823 -0.433 0.000 0.662 224 V HN 0.451 nan 8.190 nan 0.000 0.455 225 F N -0.649 119.276 119.950 -0.042 0.000 2.531 225 F HA 0.348 4.874 4.527 -0.001 0.000 0.333 225 F C 1.200 177.053 175.800 0.089 0.000 1.292 225 F CA -0.298 57.705 58.000 0.005 0.000 1.184 225 F CB 0.778 39.749 39.000 -0.047 0.000 1.426 225 F HN -0.269 nan 8.300 nan 0.000 0.559 226 T N 0.239 114.930 114.554 0.228 0.000 2.995 226 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 226 T C 1.153 176.065 174.700 0.354 0.000 1.091 226 T CA 1.558 63.830 62.100 0.286 0.000 1.128 226 T CB -0.300 68.733 68.868 0.275 0.000 0.891 226 T HN 0.522 nan 8.240 nan 0.000 0.492 227 Y N 1.204 121.603 120.300 0.166 0.000 2.850 227 Y HA -0.414 4.136 4.550 -0.000 0.000 0.469 227 Y C 1.786 177.752 175.900 0.111 0.000 1.165 227 Y CA 2.335 60.522 58.100 0.144 0.000 2.638 227 Y CB -1.482 37.087 38.460 0.180 0.000 1.196 227 Y HN 0.247 nan 8.280 nan 0.000 0.625 228 T N -0.292 114.002 114.554 -0.434 0.000 3.219 228 T HA 0.450 4.799 4.350 -0.000 0.000 0.249 228 T C 1.296 176.007 174.700 0.019 0.000 1.099 228 T CA 0.912 62.808 62.100 -0.341 0.000 0.988 228 T CB -0.535 68.063 68.868 -0.449 0.000 0.999 228 T HN 1.984 nan 8.240 nan 0.000 0.550 229 G N 0.187 109.095 108.800 0.180 0.000 2.157 229 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.239 229 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.239 229 G C 1.086 176.244 174.900 0.429 0.000 0.982 229 G CA -0.063 45.237 45.100 0.333 0.000 0.650 229 G HN 0.817 nan 8.290 nan 0.000 0.527 230 G N 0.513 109.523 108.800 0.351 0.000 2.672 230 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 230 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 230 G C 1.456 176.579 174.900 0.371 0.000 1.238 230 G CA 1.740 46.999 45.100 0.265 0.000 0.791 230 G HN 0.547 nan 8.290 nan 0.000 0.606 231 F N 1.712 121.852 119.950 0.317 0.000 2.186 231 F HA 0.106 4.633 4.527 -0.000 0.000 0.299 231 F C 3.116 179.092 175.800 0.294 0.000 1.090 231 F CA 0.981 59.158 58.000 0.295 0.000 1.307 231 F CB -0.332 38.772 39.000 0.173 0.000 1.019 231 F HN 0.259 nan 8.300 nan 0.000 0.489 232 A N 0.523 123.613 122.820 0.450 0.000 1.883 232 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 232 A C 2.226 179.979 177.584 0.282 0.000 1.186 232 A CA 1.632 53.859 52.037 0.317 0.000 0.624 232 A CB -0.852 18.330 19.000 0.303 0.000 0.822 232 A HN 0.273 nan 8.150 nan 0.000 0.444 233 I N -0.577 120.186 120.570 0.321 0.000 2.179 233 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 233 I C 2.337 178.530 176.117 0.127 0.000 1.088 233 I CA 1.509 62.924 61.300 0.192 0.000 1.357 233 I CB -1.703 36.397 38.000 0.168 0.000 1.051 233 I HN 0.435 nan 8.210 nan 0.000 0.409 234 H N 0.727 119.950 119.070 0.256 0.000 2.387 234 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 234 H C 2.226 177.659 175.328 0.175 0.000 1.090 234 H CA 1.662 57.831 56.048 0.203 0.000 1.332 234 H CB 0.093 29.987 29.762 0.219 0.000 1.386 234 H HN 0.311 nan 8.280 nan 0.000 0.516 235 A N 0.927 123.938 122.820 0.319 0.000 1.898 235 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 235 A C 2.696 180.376 177.584 0.159 0.000 1.181 235 A CA 1.453 53.633 52.037 0.239 0.000 0.620 235 A CB -0.663 18.475 19.000 0.230 0.000 0.819 235 A HN 0.424 nan 8.150 nan 0.000 0.442 236 A N 0.814 123.711 122.820 0.129 0.000 1.877 236 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 236 A C 2.136 179.753 177.584 0.055 0.000 1.186 236 A CA 1.547 53.630 52.037 0.075 0.000 0.620 236 A CB -0.826 18.206 19.000 0.053 0.000 0.822 236 A HN 0.978 nan 8.150 nan 0.000 0.443 237 I N -3.026 117.571 120.570 0.046 0.000 2.493 237 I HA 0.028 4.197 4.170 -0.000 0.000 0.254 237 I C 2.140 178.287 176.117 0.050 0.000 1.160 237 I CA 1.279 62.592 61.300 0.021 0.000 1.445 237 I CB -0.327 37.660 38.000 -0.022 0.000 1.086 237 I HN 0.160 nan 8.210 nan 0.000 0.433 238 A N 1.195 124.069 122.820 0.090 0.000 2.209 238 A HA 0.353 4.673 4.320 -0.000 0.000 0.212 238 A C 1.935 179.563 177.584 0.074 0.000 1.158 238 A CA 0.923 53.016 52.037 0.093 0.000 0.742 238 A CB -0.728 18.353 19.000 0.135 0.000 0.790 238 A HN 0.863 nan 8.150 nan 0.000 0.472 239 G N -2.720 106.120 108.800 0.067 0.000 2.227 239 G HA2 0.231 4.191 3.960 -0.000 0.000 0.168 239 G HA3 0.231 4.191 3.960 -0.000 0.000 0.168 239 G C 0.312 175.248 174.900 0.061 0.000 1.006 239 G CA -0.024 45.109 45.100 0.055 0.000 0.684 239 G HN 1.387 nan 8.290 nan 0.000 0.489 240 A N 0.531 123.396 122.820 0.075 0.000 2.511 240 A HA 0.497 4.816 4.320 -0.000 0.000 0.242 240 A C 1.285 178.900 177.584 0.051 0.000 1.069 240 A CA 0.983 53.066 52.037 0.076 0.000 0.763 240 A CB 0.360 19.417 19.000 0.094 0.000 1.001 240 A HN 0.272 nan 8.150 nan 0.000 0.498 241 D N 0.756 121.182 120.400 0.044 0.000 2.162 241 D HA -0.047 4.593 4.640 -0.000 0.000 0.203 241 D C 0.421 176.732 176.300 0.019 0.000 0.967 241 D CA 1.145 55.161 54.000 0.026 0.000 0.840 241 D CB 0.389 41.201 40.800 0.020 0.000 0.972 241 D HN 0.773 nan 8.370 nan 0.000 0.482 242 E N -0.231 119.988 120.200 0.032 0.000 2.290 242 E HA 0.414 4.764 4.350 -0.000 0.000 0.274 242 E C -1.832 174.798 176.600 0.050 0.000 0.889 242 E CA -0.664 55.751 56.400 0.025 0.000 0.760 242 E CB 2.352 32.066 29.700 0.025 0.000 1.206 242 E HN -0.223 nan 8.360 nan 0.000 0.419 243 V N 5.676 125.591 119.914 0.002 0.000 2.525 243 V HA 0.433 4.553 4.120 -0.000 0.000 0.299 243 V C -0.310 175.728 176.094 -0.093 0.000 1.034 243 V CA -0.631 61.665 62.300 -0.007 0.000 0.863 243 V CB 1.587 33.404 31.823 -0.011 0.000 0.999 243 V HN 0.671 nan 8.190 nan 0.000 0.423 244 I N 3.961 124.496 120.570 -0.059 0.000 2.339 244 I HA 0.634 4.804 4.170 -0.000 0.000 0.290 244 I C 0.710 176.754 176.117 -0.121 0.000 0.994 244 I CA -0.220 61.015 61.300 -0.108 0.000 1.191 244 I CB 1.762 39.748 38.000 -0.024 0.000 1.343 244 I HN 0.733 nan 8.210 nan 0.000 0.458 245 G N 7.426 116.159 108.800 -0.112 0.000 2.478 245 G HA2 0.742 4.702 3.960 -0.000 0.000 0.317 245 G HA3 0.742 4.702 3.960 -0.000 0.000 0.317 245 G C -0.782 174.196 174.900 0.130 0.000 1.259 245 G CA -0.395 44.749 45.100 0.074 0.000 0.933 245 G HN 0.478 nan 8.290 nan 0.000 0.478 246 I N 1.756 122.345 120.570 0.032 0.000 2.493 246 I HA 0.512 4.681 4.170 -0.000 0.000 0.298 246 I C -0.780 175.335 176.117 -0.004 0.000 0.998 246 I CA -0.693 60.600 61.300 -0.011 0.000 1.137 246 I CB 2.412 40.327 38.000 -0.143 0.000 1.310 246 I HN 0.331 nan 8.210 nan 0.000 0.445 247 D N 3.801 124.217 120.400 0.026 0.000 2.717 247 D HA 0.121 4.760 4.640 -0.000 0.000 0.223 247 D C -0.087 176.245 176.300 0.054 0.000 1.240 247 D CA -0.453 53.583 54.000 0.060 0.000 0.801 247 D CB 2.265 43.137 40.800 0.121 0.000 1.556 247 D HN 0.688 nan 8.370 nan 0.000 0.462 248 K N 0.172 120.619 120.400 0.078 0.000 2.296 248 K HA 0.046 4.365 4.320 -0.000 0.000 0.200 248 K C 0.827 177.469 176.600 0.071 0.000 1.048 248 K CA 0.294 56.624 56.287 0.072 0.000 0.966 248 K CB 0.191 32.746 32.500 0.092 0.000 0.754 248 K HN 0.062 nan 8.250 nan 0.000 0.466 249 S N 1.842 117.594 115.700 0.087 0.000 2.465 249 S HA 0.233 4.703 4.470 -0.000 0.000 0.279 249 S C -1.991 172.629 174.600 0.032 0.000 1.201 249 S CA -1.822 56.421 58.200 0.071 0.000 1.053 249 S CB 1.277 64.542 63.200 0.108 0.000 0.953 249 S HN -0.025 nan 8.310 nan 0.000 0.488 250 P HA 0.000 nan 4.420 nan 0.000 0.218 250 P C 1.046 178.327 177.300 -0.032 0.000 1.149 250 P CA 0.764 63.861 63.100 -0.004 0.000 0.817 250 P CB 0.217 31.919 31.700 0.003 0.000 0.785 251 R N -0.182 120.303 120.500 -0.025 0.000 2.075 251 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 251 R C 2.302 178.545 176.300 -0.095 0.000 1.126 251 R CA 1.599 57.669 56.100 -0.050 0.000 0.963 251 R CB -1.857 28.427 30.300 -0.027 0.000 0.858 251 R HN 0.104 nan 8.270 nan 0.000 0.435 252 A N 1.057 123.828 122.820 -0.082 0.000 1.902 252 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 252 A C 1.948 179.395 177.584 -0.229 0.000 1.181 252 A CA 1.309 53.239 52.037 -0.179 0.000 0.623 252 A CB -0.457 18.499 19.000 -0.073 0.000 0.818 252 A HN 0.113 nan 8.150 nan 0.000 0.443 253 I N 0.002 120.464 120.570 -0.180 0.000 2.394 253 I HA -0.135 4.035 4.170 -0.000 0.000 0.251 253 I C 2.320 178.230 176.117 -0.346 0.000 1.136 253 I CA 1.125 62.250 61.300 -0.292 0.000 1.425 253 I CB -1.276 36.631 38.000 -0.154 0.000 1.079 253 I HN 0.349 nan 8.210 nan 0.000 0.425 254 E N 0.499 120.573 120.200 -0.210 0.000 2.106 254 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 254 E C 2.131 178.610 176.600 -0.202 0.000 0.984 254 E CA 1.387 57.682 56.400 -0.175 0.000 0.806 254 E CB -0.063 29.570 29.700 -0.111 0.000 0.750 254 E HN 0.420 nan 8.360 nan 0.000 0.458 255 T N 0.835 115.259 114.554 -0.217 0.000 2.857 255 T HA -0.042 4.307 4.350 -0.000 0.000 0.266 255 T C 1.912 176.475 174.700 -0.229 0.000 1.048 255 T CA 1.163 63.141 62.100 -0.204 0.000 1.139 255 T CB -0.118 68.617 68.868 -0.222 0.000 0.874 255 T HN 0.233 nan 8.240 nan 0.000 0.455 256 A N 1.935 124.546 122.820 -0.349 0.000 1.933 256 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 256 A C 2.241 179.559 177.584 -0.443 0.000 1.175 256 A CA 1.502 53.283 52.037 -0.428 0.000 0.628 256 A CB -0.403 18.131 19.000 -0.776 0.000 0.814 256 A HN 0.449 nan 8.150 nan 0.000 0.444 257 K N -0.369 119.729 120.400 -0.503 0.000 2.097 257 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 257 K C 1.886 178.443 176.600 -0.071 0.000 1.050 257 K CA 1.461 57.632 56.287 -0.194 0.000 0.938 257 K CB -0.144 32.273 32.500 -0.139 0.000 0.718 257 K HN 0.631 nan 8.250 nan 0.000 0.442 258 E N 0.638 120.773 120.200 -0.108 0.000 2.106 258 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 258 E C 1.726 178.282 176.600 -0.073 0.000 0.984 258 E CA 0.636 56.989 56.400 -0.078 0.000 0.806 258 E CB 0.000 29.646 29.700 -0.090 0.000 0.750 258 E HN 0.252 nan 8.360 nan 0.000 0.458 259 N N 0.918 119.575 118.700 -0.072 0.000 2.188 259 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 259 N C 1.718 177.184 175.510 -0.072 0.000 1.018 259 N CA 1.151 54.154 53.050 -0.078 0.000 0.858 259 N CB -0.207 38.288 38.487 0.013 0.000 0.989 259 N HN 0.118 nan 8.380 nan 0.000 0.426 260 A N 1.214 124.046 122.820 0.020 0.000 1.933 260 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 260 A C 2.196 179.783 177.584 0.005 0.000 1.175 260 A CA 1.401 53.477 52.037 0.065 0.000 0.628 260 A CB -0.400 18.734 19.000 0.223 0.000 0.814 260 A HN 0.267 nan 8.150 nan 0.000 0.444 261 K N -0.722 119.675 120.400 -0.005 0.000 2.057 261 K HA -0.108 4.211 4.320 -0.000 0.000 0.206 261 K C 1.884 178.452 176.600 -0.054 0.000 1.050 261 K CA 1.411 57.684 56.287 -0.022 0.000 0.935 261 K CB -0.272 32.215 32.500 -0.022 0.000 0.715 261 K HN 0.334 nan 8.250 nan 0.000 0.439 262 L N 1.777 122.950 121.223 -0.082 0.000 2.131 262 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 262 L C 1.173 177.963 176.870 -0.135 0.000 1.092 262 L CA 1.730 56.502 54.840 -0.114 0.000 0.759 262 L CB -0.301 41.668 42.059 -0.150 0.000 0.903 262 L HN 0.234 nan 8.230 nan 0.000 0.435 263 N N -0.254 118.358 118.700 -0.146 0.000 2.280 263 N HA 0.112 4.852 4.740 -0.000 0.000 0.192 263 N C 1.024 176.479 175.510 -0.092 0.000 1.109 263 N CA 0.805 53.763 53.050 -0.154 0.000 0.855 263 N CB 0.382 38.741 38.487 -0.214 0.000 0.974 263 N HN 0.455 nan 8.380 nan 0.000 0.482 264 G N 1.402 110.163 108.800 -0.064 0.000 2.221 264 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.265 264 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.265 264 G C 0.574 175.459 174.900 -0.026 0.000 1.041 264 G CA 0.728 45.805 45.100 -0.040 0.000 0.807 264 G HN 0.357 nan 8.290 nan 0.000 0.502 265 V N -3.206 116.697 119.914 -0.018 0.000 3.159 265 V HA 0.519 4.639 4.120 -0.000 0.000 0.333 265 V C 1.474 177.576 176.094 0.013 0.000 1.424 265 V CA 1.125 63.422 62.300 -0.004 0.000 1.125 265 V CB 0.638 32.459 31.823 -0.003 0.000 1.075 265 V HN 0.405 nan 8.190 nan 0.000 0.482 266 E N 2.721 122.935 120.200 0.023 0.000 2.171 266 E HA -0.308 4.041 4.350 -0.000 0.000 0.197 266 E C 1.709 178.319 176.600 0.016 0.000 0.997 266 E CA 2.078 58.504 56.400 0.044 0.000 0.810 266 E CB 0.036 29.763 29.700 0.045 0.000 0.738 266 E HN 0.883 nan 8.360 nan 0.000 0.467 267 D N -0.124 120.278 120.400 0.003 0.000 2.363 267 D HA -0.094 4.546 4.640 -0.000 0.000 0.220 267 D C 0.443 176.733 176.300 -0.017 0.000 0.994 267 D CA 0.399 54.396 54.000 -0.005 0.000 0.890 267 D CB -0.048 40.750 40.800 -0.003 0.000 0.906 267 D HN 0.060 nan 8.370 nan 0.000 0.530 271 F N 4.491 124.451 119.950 0.018 0.000 2.443 271 F HA 0.568 5.094 4.527 -0.000 0.000 0.335 271 F C 0.299 176.102 175.800 0.005 0.000 1.104 271 F CA -0.646 57.361 58.000 0.011 0.000 1.013 271 F CB 1.320 40.327 39.000 0.012 0.000 1.136 271 F HN 0.224 nan 8.300 nan 0.000 0.470 272 I N 3.466 124.150 120.570 0.189 0.000 2.447 272 I HA 0.323 4.493 4.170 -0.000 0.000 0.287 272 I C -1.087 175.078 176.117 0.080 0.000 1.023 272 I CA -0.934 60.424 61.300 0.097 0.000 1.083 272 I CB 1.950 39.975 38.000 0.042 0.000 1.245 272 I HN 0.144 nan 8.210 nan 0.000 0.434 273 V N 5.896 125.848 119.914 0.062 0.000 2.368 273 V HA 0.818 4.938 4.120 -0.000 0.000 0.266 273 V C 0.575 176.688 176.094 0.031 0.000 1.045 273 V CA 0.110 62.436 62.300 0.044 0.000 0.899 273 V CB 0.492 32.337 31.823 0.037 0.000 1.006 273 V HN 1.032 nan 8.190 nan 0.000 0.470 274 G N 3.169 111.982 108.800 0.021 0.000 2.340 274 G HA2 0.381 4.341 3.960 -0.000 0.000 0.299 274 G HA3 0.381 4.341 3.960 -0.000 0.000 0.299 274 G C -0.978 173.923 174.900 0.002 0.000 1.291 274 G CA -0.235 44.874 45.100 0.016 0.000 0.841 274 G HN 0.599 nan 8.290 nan 0.000 0.500 275 S N -0.314 115.394 115.700 0.013 0.000 2.523 275 S HA 0.524 4.993 4.470 -0.000 0.000 0.275 275 S C 1.710 176.278 174.600 -0.052 0.000 1.281 275 S CA 0.800 59.011 58.200 0.019 0.000 1.050 275 S CB 0.990 64.237 63.200 0.078 0.000 0.937 275 S HN 1.802 nan 8.310 nan 0.000 0.492 276 A N 5.409 128.129 122.820 -0.167 0.000 1.873 276 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 276 A C 1.665 179.104 177.584 -0.242 0.000 1.193 276 A CA 1.759 53.553 52.037 -0.405 0.000 0.629 276 A CB -1.072 17.438 19.000 -0.817 0.000 0.826 276 A HN 0.854 nan 8.150 nan 0.000 0.447 277 F N 0.159 120.097 119.950 -0.021 0.000 2.134 277 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 277 F C 2.486 178.284 175.800 -0.004 0.000 1.097 277 F CA 1.720 59.725 58.000 0.009 0.000 1.264 277 F CB -0.625 38.401 39.000 0.042 0.000 1.001 277 F HN 0.346 nan 8.300 nan 0.000 0.479 278 E N -0.445 119.868 120.200 0.187 0.000 2.077 278 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 278 E C 1.034 177.669 176.600 0.058 0.000 0.989 278 E CA 0.723 57.186 56.400 0.105 0.000 0.800 278 E CB -0.113 29.634 29.700 0.078 0.000 0.746 278 E HN 0.285 nan 8.360 nan 0.000 0.452 282 K N 1.105 121.529 120.400 0.041 0.000 2.057 282 K HA 0.119 4.439 4.320 -0.000 0.000 0.207 282 K C 1.908 178.531 176.600 0.038 0.000 1.049 282 K CA 1.827 58.135 56.287 0.034 0.000 0.931 282 K CB -0.397 32.122 32.500 0.031 0.000 0.714 282 K HN 0.321 nan 8.250 nan 0.000 0.440 283 L N 0.188 121.442 121.223 0.052 0.000 2.093 283 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 283 L C 2.586 179.491 176.870 0.058 0.000 1.085 283 L CA 1.188 56.076 54.840 0.080 0.000 0.755 283 L CB -0.475 41.675 42.059 0.151 0.000 0.904 283 L HN 0.262 nan 8.230 nan 0.000 0.435 284 Q N 0.924 120.750 119.800 0.044 0.000 2.084 284 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 284 Q C 2.124 178.131 176.000 0.012 0.000 0.978 284 Q CA 1.802 57.617 55.803 0.021 0.000 0.844 284 Q CB -0.159 28.588 28.738 0.014 0.000 0.898 284 Q HN 0.268 nan 8.270 nan 0.000 0.426 285 K N -0.090 120.321 120.400 0.018 0.000 2.103 285 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 285 K C 1.428 178.030 176.600 0.004 0.000 1.048 285 K CA 1.450 57.744 56.287 0.012 0.000 0.930 285 K CB 0.007 32.517 32.500 0.016 0.000 0.716 285 K HN 0.111 nan 8.250 nan 0.000 0.444 286 K N -0.716 119.686 120.400 0.004 0.000 2.487 286 K HA 0.041 4.361 4.320 -0.000 0.000 0.192 286 K C 0.610 177.197 176.600 -0.021 0.000 1.027 286 K CA 0.574 56.856 56.287 -0.007 0.000 1.054 286 K CB 0.386 32.883 32.500 -0.006 0.000 0.824 286 K HN 0.451 nan 8.250 nan 0.000 0.510 287 G N 2.545 111.334 108.800 -0.018 0.000 2.221 287 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.265 287 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.265 287 G C -0.440 174.424 174.900 -0.059 0.000 1.041 287 G CA -0.063 45.017 45.100 -0.033 0.000 0.807 287 G HN 0.210 nan 8.290 nan 0.000 0.502 288 E N 0.317 120.484 120.200 -0.055 0.000 2.360 288 E HA 0.419 4.769 4.350 -0.000 0.000 0.269 288 E C 0.541 177.041 176.600 -0.166 0.000 1.022 288 E CA 0.225 56.537 56.400 -0.147 0.000 0.887 288 E CB 1.004 30.645 29.700 -0.098 0.000 0.990 288 E HN 0.264 nan 8.360 nan 0.000 0.426 289 K N 2.153 122.349 120.400 -0.341 0.000 2.375 289 K HA 0.538 4.858 4.320 -0.000 0.000 0.249 289 K C -0.580 175.733 176.600 -0.478 0.000 0.942 289 K CA -0.733 55.419 56.287 -0.225 0.000 0.806 289 K CB 1.376 33.796 32.500 -0.133 0.000 1.227 289 K HN 0.297 nan 8.250 nan 0.000 0.430 290 F N 0.214 120.135 119.950 -0.049 0.000 2.577 290 F HA 0.276 4.802 4.527 -0.001 0.000 0.318 290 F C 1.423 177.203 175.800 -0.033 0.000 1.065 290 F CA -0.707 57.270 58.000 -0.038 0.000 0.929 290 F CB 1.699 40.674 39.000 -0.042 0.000 1.237 290 F HN 0.472 nan 8.300 nan 0.000 0.468 291 D N 1.424 121.922 120.400 0.162 0.000 2.183 291 D HA 0.056 4.696 4.640 -0.000 0.000 0.203 291 D C 0.264 176.628 176.300 0.107 0.000 0.969 291 D CA 1.686 55.749 54.000 0.106 0.000 0.842 291 D CB 0.632 41.495 40.800 0.105 0.000 0.957 291 D HN 0.210 nan 8.370 nan 0.000 0.484 292 I N 0.619 121.267 120.570 0.131 0.000 2.607 292 I HA 0.188 4.357 4.170 -0.000 0.000 0.290 292 I C -1.013 175.102 176.117 -0.002 0.000 1.129 292 I CA -0.729 60.607 61.300 0.060 0.000 1.042 292 I CB 3.187 41.237 38.000 0.084 0.000 1.242 292 I HN -0.400 nan 8.210 nan 0.000 0.421 293 V N 6.318 126.182 119.914 -0.082 0.000 2.487 293 V HA 0.460 4.579 4.120 -0.000 0.000 0.298 293 V C -0.370 175.608 176.094 -0.194 0.000 1.028 293 V CA -0.694 61.502 62.300 -0.172 0.000 0.860 293 V CB 2.299 34.022 31.823 -0.167 0.000 0.991 293 V HN 0.402 nan 8.190 nan 0.000 0.427 294 V N 6.516 126.300 119.914 -0.217 0.000 2.384 294 V HA 0.503 4.622 4.120 -0.000 0.000 0.287 294 V C -0.320 175.653 176.094 -0.202 0.000 1.020 294 V CA -0.470 61.657 62.300 -0.288 0.000 0.850 294 V CB 1.624 33.224 31.823 -0.370 0.000 0.987 294 V HN 0.636 nan 8.190 nan 0.000 0.436 295 L N 4.350 125.466 121.223 -0.178 0.000 2.316 295 L HA 0.557 4.896 4.340 -0.000 0.000 0.280 295 L C -0.652 176.174 176.870 -0.074 0.000 1.006 295 L CA -0.223 54.613 54.840 -0.007 0.000 0.836 295 L CB 1.520 43.599 42.059 0.034 0.000 1.221 295 L HN 0.622 nan 8.230 nan 0.000 0.418 296 D N 5.029 125.413 120.400 -0.027 0.000 2.607 296 D HA 0.261 4.901 4.640 -0.000 0.000 0.318 296 D C -2.328 173.687 176.300 -0.475 0.000 1.212 296 D CA -1.513 52.380 54.000 -0.179 0.000 0.861 296 D CB 1.155 41.902 40.800 -0.088 0.000 1.064 296 D HN 0.141 nan 8.370 nan 0.000 0.500 297 P HA 0.258 nan 4.420 nan 0.000 0.274 297 P C -2.459 174.245 177.300 -0.994 0.000 1.246 297 P CA -1.095 61.096 63.100 -1.514 0.000 0.795 297 P CB 0.349 31.262 31.700 -1.311 0.000 1.006 298 P HA 0.108 nan 4.420 nan 0.000 0.274 298 P C -0.497 176.367 177.300 -0.727 0.000 1.246 298 P CA -0.337 62.367 63.100 -0.659 0.000 0.795 298 P CB 0.248 31.688 31.700 -0.434 0.000 1.006 299 A N 1.632 124.222 122.820 -0.384 0.000 2.541 299 A HA 0.102 4.421 4.320 -0.000 0.000 0.293 299 A C 1.086 178.590 177.584 -0.133 0.000 1.307 299 A CA -0.216 51.697 52.037 -0.207 0.000 0.978 299 A CB -1.668 17.270 19.000 -0.104 0.000 1.111 299 A HN 0.506 nan 8.150 nan 0.000 0.535 300 F N 2.097 121.946 119.950 -0.167 0.000 2.234 300 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 300 F C 0.875 176.638 175.800 -0.062 0.000 1.087 300 F CA 0.344 58.218 58.000 -0.211 0.000 1.340 300 F CB 0.274 38.966 39.000 -0.513 0.000 1.031 300 F HN 0.280 nan 8.300 nan 0.000 0.500 301 V N 0.458 120.510 119.914 0.230 0.000 2.394 301 V HA 0.142 4.261 4.120 -0.000 0.000 0.282 301 V C 0.110 176.191 176.094 -0.021 0.000 1.031 301 V CA -0.263 62.110 62.300 0.123 0.000 0.881 301 V CB 1.571 33.522 31.823 0.214 0.000 0.982 301 V HN 0.040 nan 8.190 nan 0.000 0.451 302 Q N 1.662 121.307 119.800 -0.259 0.000 2.211 302 Q HA 0.284 4.624 4.340 -0.000 0.000 0.242 302 Q C -0.304 174.976 176.000 -1.201 0.000 0.825 302 Q CA 0.446 55.919 55.803 -0.550 0.000 0.951 302 Q CB 0.575 28.989 28.738 -0.541 0.000 1.130 302 Q HN 0.840 nan 8.270 nan 0.000 0.496 303 H N -1.095 117.589 119.070 -0.643 0.000 2.974 303 H HA 0.175 4.731 4.556 -0.000 0.000 0.366 303 H C 0.042 175.141 175.328 -0.380 0.000 1.155 303 H CA -0.361 55.330 56.048 -0.595 0.000 1.186 303 H CB 1.812 31.449 29.762 -0.208 0.000 1.799 303 H HN -0.055 nan 8.280 nan 0.000 0.541 304 E N 1.467 121.659 120.200 -0.013 0.000 2.114 304 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 304 E C 1.193 177.832 176.600 0.064 0.000 1.008 304 E CA 1.483 57.951 56.400 0.114 0.000 0.810 304 E CB 0.107 29.899 29.700 0.154 0.000 0.739 304 E HN 0.457 nan 8.360 nan 0.000 0.456 305 K N 0.382 120.813 120.400 0.050 0.000 2.362 305 K HA -0.054 4.265 4.320 -0.000 0.000 0.200 305 K C 0.248 176.869 176.600 0.035 0.000 1.046 305 K CA 0.855 57.162 56.287 0.033 0.000 0.952 305 K CB 0.179 32.685 32.500 0.010 0.000 0.753 305 K HN 0.125 nan 8.250 nan 0.000 0.466 306 D N 0.792 121.218 120.400 0.044 0.000 2.587 306 D HA 0.070 4.709 4.640 -0.000 0.000 0.233 306 D C 1.130 177.460 176.300 0.050 0.000 1.213 306 D CA 0.137 54.161 54.000 0.041 0.000 0.827 306 D CB 0.353 41.181 40.800 0.046 0.000 1.006 306 D HN 0.135 nan 8.370 nan 0.000 0.490 307 L N 0.098 121.358 121.223 0.061 0.000 2.095 307 L HA -0.070 4.270 4.340 -0.000 0.000 0.204 307 L C 2.518 179.439 176.870 0.085 0.000 1.080 307 L CA 0.824 55.720 54.840 0.093 0.000 0.759 307 L CB -0.096 42.017 42.059 0.091 0.000 0.914 307 L HN -0.032 nan 8.230 nan 0.000 0.439 308 K N 0.632 121.061 120.400 0.048 0.000 1.991 308 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 308 K C 2.111 178.724 176.600 0.021 0.000 1.049 308 K CA 1.719 58.021 56.287 0.026 0.000 0.932 308 K CB -0.128 32.374 32.500 0.003 0.000 0.717 308 K HN 0.250 nan 8.250 nan 0.000 0.441 309 A N 0.459 123.285 122.820 0.011 0.000 1.930 309 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 309 A C 2.347 179.920 177.584 -0.019 0.000 1.175 309 A CA 1.776 53.803 52.037 -0.016 0.000 0.627 309 A CB -1.051 17.934 19.000 -0.025 0.000 0.815 309 A HN 0.580 nan 8.150 nan 0.000 0.443 310 G N -0.247 108.578 108.800 0.040 0.000 2.402 310 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 310 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 310 G C 1.526 176.563 174.900 0.229 0.000 1.162 310 G CA 0.959 46.116 45.100 0.095 0.000 0.777 310 G HN 0.420 nan 8.290 nan 0.000 0.539 311 L N -0.246 121.139 121.223 0.269 0.000 2.156 311 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 311 L C 2.882 179.921 176.870 0.281 0.000 1.095 311 L CA 0.807 55.862 54.840 0.358 0.000 0.770 311 L CB -0.280 41.912 42.059 0.223 0.000 0.914 311 L HN 0.198 nan 8.230 nan 0.000 0.439 312 R N 0.480 121.058 120.500 0.129 0.000 2.092 312 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 312 R C 2.319 178.692 176.300 0.121 0.000 1.119 312 R CA 1.342 57.492 56.100 0.083 0.000 0.970 312 R CB -0.156 30.132 30.300 -0.020 0.000 0.864 312 R HN 0.311 nan 8.270 nan 0.000 0.440 313 A N -0.076 122.719 122.820 -0.042 0.000 1.898 313 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 313 A C 1.909 179.502 177.584 0.014 0.000 1.181 313 A CA 1.103 52.978 52.037 -0.270 0.000 0.620 313 A CB -0.776 17.589 19.000 -1.057 0.000 0.819 313 A HN 0.494 nan 8.150 nan 0.000 0.442 314 Y N -1.826 118.631 120.300 0.262 0.000 2.181 314 Y HA -0.210 4.340 4.550 -0.001 0.000 0.288 314 Y C 2.197 178.285 175.900 0.313 0.000 1.146 314 Y CA 1.732 60.088 58.100 0.426 0.000 1.164 314 Y CB -0.429 38.279 38.460 0.413 0.000 0.982 314 Y HN 0.433 nan 8.280 nan 0.000 0.515 315 F N 1.174 121.310 119.950 0.310 0.000 2.095 315 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 315 F C 1.867 177.813 175.800 0.242 0.000 1.104 315 F CA 2.198 60.317 58.000 0.198 0.000 1.232 315 F CB -0.715 38.343 39.000 0.098 0.000 0.987 315 F HN 0.051 nan 8.300 nan 0.000 0.475 316 N N -0.341 118.604 118.700 0.408 0.000 2.104 316 N HA -0.192 4.548 4.740 -0.000 0.000 0.190 316 N C 1.816 177.643 175.510 0.528 0.000 1.024 316 N CA 1.436 54.718 53.050 0.388 0.000 0.853 316 N CB -0.242 38.410 38.487 0.276 0.000 1.008 316 N HN 0.171 nan 8.380 nan 0.000 0.424 317 V N 1.665 121.892 119.914 0.522 0.000 2.358 317 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 317 V C 1.876 178.075 176.094 0.175 0.000 1.047 317 V CA 1.423 63.900 62.300 0.295 0.000 1.035 317 V CB -0.463 31.523 31.823 0.272 0.000 0.658 317 V HN 0.390 nan 8.190 nan 0.000 0.452 318 N N -0.601 118.184 118.700 0.143 0.000 2.216 318 N HA -0.128 4.612 4.740 -0.000 0.000 0.183 318 N C 1.823 177.300 175.510 -0.054 0.000 1.017 318 N CA 1.385 54.446 53.050 0.018 0.000 0.861 318 N CB -0.175 38.298 38.487 -0.023 0.000 0.986 318 N HN 0.502 nan 8.380 nan 0.000 0.428 319 F N 2.292 122.081 119.950 -0.268 0.000 2.102 319 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 319 F C 2.349 178.087 175.800 -0.104 0.000 1.105 319 F CA 1.236 59.059 58.000 -0.294 0.000 1.239 319 F CB -0.462 38.274 39.000 -0.440 0.000 0.991 319 F HN -0.043 nan 8.300 nan 0.000 0.474 320 A N 0.179 122.996 122.820 -0.004 0.000 1.933 320 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 320 A C 2.474 179.987 177.584 -0.118 0.000 1.175 320 A CA 1.630 53.639 52.037 -0.046 0.000 0.628 320 A CB -1.774 17.349 19.000 0.204 0.000 0.814 320 A HN 0.516 nan 8.150 nan 0.000 0.444 321 G N -0.415 108.331 108.800 -0.090 0.000 2.402 321 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 321 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 321 G C 1.547 176.364 174.900 -0.139 0.000 1.162 321 G CA 0.862 45.896 45.100 -0.109 0.000 0.777 321 G HN 0.410 nan 8.290 nan 0.000 0.539 322 L N 0.648 121.765 121.223 -0.177 0.000 2.083 322 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 322 L C 2.322 179.064 176.870 -0.213 0.000 1.083 322 L CA 0.734 55.460 54.840 -0.189 0.000 0.752 322 L CB -0.286 41.653 42.059 -0.201 0.000 0.899 322 L HN 0.165 nan 8.230 nan 0.000 0.433 323 N N -0.137 118.380 118.700 -0.304 0.000 2.550 323 N HA -0.063 4.677 4.740 -0.000 0.000 0.186 323 N C 1.520 176.952 175.510 -0.130 0.000 1.110 323 N CA 0.861 53.750 53.050 -0.268 0.000 0.912 323 N CB 0.143 38.397 38.487 -0.389 0.000 0.968 323 N HN 0.395 nan 8.380 nan 0.000 0.448 324 L N 0.024 121.200 121.223 -0.078 0.000 2.616 324 L HA 0.186 4.525 4.340 -0.000 0.000 0.229 324 L C 0.076 177.006 176.870 0.100 0.000 1.110 324 L CA 0.011 54.881 54.840 0.049 0.000 0.884 324 L CB 0.554 42.659 42.059 0.076 0.000 1.115 324 L HN -0.190 nan 8.230 nan 0.000 0.481 325 V N 1.772 121.684 119.914 -0.002 0.000 2.498 325 V HA 0.081 4.201 4.120 -0.000 0.000 0.279 325 V C 0.439 176.511 176.094 -0.036 0.000 1.048 325 V CA -0.806 61.490 62.300 -0.005 0.000 0.967 325 V CB 1.074 32.857 31.823 -0.067 0.000 0.988 325 V HN 0.301 nan 8.190 nan 0.000 0.473 326 K N 2.751 123.136 120.400 -0.024 0.000 2.180 326 K HA 0.224 4.544 4.320 -0.000 0.000 0.251 326 K C -0.154 176.393 176.600 -0.088 0.000 1.014 326 K CA -0.683 55.573 56.287 -0.053 0.000 0.913 326 K CB 0.517 32.991 32.500 -0.043 0.000 1.008 326 K HN 0.496 nan 8.250 nan 0.000 0.490 327 D N 0.365 120.716 120.400 -0.083 0.000 2.450 327 D HA 0.129 4.769 4.640 -0.000 0.000 0.247 327 D C 0.899 177.120 176.300 -0.130 0.000 1.162 327 D CA 1.679 55.617 54.000 -0.104 0.000 0.879 327 D CB 0.217 40.983 40.800 -0.057 0.000 1.163 327 D HN 0.790 nan 8.370 nan 0.000 0.472 328 G N 2.338 110.967 108.800 -0.285 0.000 2.141 328 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.242 328 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.242 328 G C 0.659 175.374 174.900 -0.307 0.000 0.982 328 G CA 0.172 45.053 45.100 -0.365 0.000 0.662 328 G HN 0.852 nan 8.290 nan 0.000 0.527 329 G N -0.923 107.709 108.800 -0.280 0.000 2.532 329 G HA2 0.713 4.672 3.960 -0.000 0.000 0.291 329 G HA3 0.713 4.672 3.960 -0.000 0.000 0.291 329 G C -0.249 174.562 174.900 -0.147 0.000 1.349 329 G CA -0.836 44.189 45.100 -0.125 0.000 1.038 329 G HN 0.657 nan 8.290 nan 0.000 0.518 330 I N -0.324 120.215 120.570 -0.053 0.000 2.545 330 I HA 0.335 4.504 4.170 -0.000 0.000 0.292 330 I C -1.187 174.871 176.117 -0.099 0.000 1.040 330 I CA -0.700 60.560 61.300 -0.068 0.000 1.068 330 I CB 2.277 40.258 38.000 -0.033 0.000 1.251 330 I HN 0.242 nan 8.210 nan 0.000 0.424 331 L N 7.789 128.932 121.223 -0.133 0.000 2.325 331 L HA 0.595 4.934 4.340 -0.000 0.000 0.281 331 L C -1.049 175.680 176.870 -0.235 0.000 1.004 331 L CA -0.382 54.363 54.840 -0.159 0.000 0.823 331 L CB 1.646 43.625 42.059 -0.132 0.000 1.236 331 L HN 0.308 nan 8.230 nan 0.000 0.415 332 V N 4.343 124.061 119.914 -0.327 0.000 2.347 332 V HA 0.588 4.707 4.120 -0.000 0.000 0.280 332 V C 0.111 175.988 176.094 -0.362 0.000 1.021 332 V CA -0.310 61.665 62.300 -0.542 0.000 0.847 332 V CB 1.217 32.563 31.823 -0.796 0.000 0.990 332 V HN 0.866 nan 8.190 nan 0.000 0.444 333 T N 4.848 119.271 114.554 -0.218 0.000 2.886 333 T HA 0.691 5.041 4.350 -0.000 0.000 0.292 333 T C -0.550 174.217 174.700 0.112 0.000 1.012 333 T CA -0.320 61.759 62.100 -0.034 0.000 0.982 333 T CB 1.040 69.935 68.868 0.045 0.000 1.018 333 T HN 1.037 nan 8.240 nan 0.000 0.451 334 C N 1.821 121.159 119.300 0.064 0.000 3.285 334 C HA 0.984 5.444 4.460 -0.000 0.000 0.320 334 C C -0.485 174.350 174.990 -0.258 0.000 1.411 334 C CA -0.910 58.034 59.018 -0.123 0.000 1.429 334 C CB 1.116 28.761 27.740 -0.159 0.000 1.812 334 C HN 0.893 nan 8.230 nan 0.000 0.454 335 S N -0.928 114.424 115.700 -0.580 0.000 2.548 335 S HA 0.603 5.073 4.470 -0.000 0.000 0.276 335 S C -0.016 174.409 174.600 -0.293 0.000 1.129 335 S CA -0.027 57.897 58.200 -0.460 0.000 0.931 335 S CB 1.074 63.706 63.200 -0.947 0.000 1.068 335 S HN 1.969 nan 8.310 nan 0.000 0.480 336 C N 2.047 121.281 119.300 -0.109 0.000 2.881 336 C HA 0.539 4.998 4.460 -0.000 0.000 0.290 336 C C 0.577 175.615 174.990 0.079 0.000 1.362 336 C CA -0.554 58.482 59.018 0.030 0.000 1.757 336 C CB -1.640 26.110 27.740 0.017 0.000 2.265 336 C HN 0.631 nan 8.230 nan 0.000 0.600 337 S N 2.499 118.236 115.700 0.062 0.000 2.430 337 S HA 0.108 4.578 4.470 -0.000 0.000 0.282 337 S C 1.267 175.934 174.600 0.112 0.000 1.186 337 S CA 0.079 58.354 58.200 0.126 0.000 1.060 337 S CB 0.852 64.197 63.200 0.241 0.000 0.966 337 S HN 0.594 nan 8.310 nan 0.000 0.501 338 Q N 2.684 122.547 119.800 0.106 0.000 2.135 338 Q HA -0.189 4.150 4.340 -0.000 0.000 0.204 338 Q C 0.893 176.853 176.000 -0.067 0.000 0.981 338 Q CA 1.930 57.739 55.803 0.011 0.000 0.856 338 Q CB -0.225 28.454 28.738 -0.098 0.000 0.902 338 Q HN 0.833 nan 8.270 nan 0.000 0.425 339 H N -1.630 117.471 119.070 0.052 0.000 2.546 339 H HA 0.074 4.630 4.556 -0.000 0.000 0.277 339 H C 0.007 175.370 175.328 0.059 0.000 1.004 339 H CA 0.224 56.307 56.048 0.058 0.000 1.231 339 H CB 0.257 30.058 29.762 0.064 0.000 1.382 339 H HN -0.099 nan 8.280 nan 0.000 0.580 340 V N 3.136 123.135 119.914 0.142 0.000 2.333 340 V HA 0.112 4.232 4.120 -0.000 0.000 0.274 340 V C -0.152 175.957 176.094 0.026 0.000 1.028 340 V CA -0.921 61.433 62.300 0.090 0.000 0.851 340 V CB 0.843 32.701 31.823 0.059 0.000 1.000 340 V HN 0.379 nan 8.190 nan 0.000 0.456 341 D N 3.836 124.258 120.400 0.036 0.000 2.423 341 D HA 0.196 4.835 4.640 -0.000 0.000 0.255 341 D C 1.115 177.428 176.300 0.022 0.000 1.174 341 D CA -0.757 53.248 54.000 0.008 0.000 1.008 341 D CB 0.882 41.688 40.800 0.008 0.000 1.101 341 D HN 0.198 nan 8.370 nan 0.000 0.516 342 L N -0.532 120.687 121.223 -0.006 0.000 2.013 342 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 342 L C 1.083 177.989 176.870 0.060 0.000 1.073 342 L CA 1.968 56.819 54.840 0.019 0.000 0.753 342 L CB -1.099 40.912 42.059 -0.081 0.000 0.890 342 L HN 0.607 nan 8.230 nan 0.000 0.432 346 K N 0.971 121.396 120.400 0.042 0.000 2.032 346 K HA -0.081 4.239 4.320 -0.000 0.000 0.209 346 K C 0.264 176.841 176.600 -0.037 0.000 1.048 346 K CA 1.581 57.862 56.287 -0.010 0.000 0.927 346 K CB -0.513 32.038 32.500 0.086 0.000 0.712 346 K HN 0.245 nan 8.250 nan 0.000 0.441 350 I N 2.080 122.641 120.570 -0.014 0.000 2.226 350 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 350 I C 2.721 178.881 176.117 0.073 0.000 1.100 350 I CA 1.932 63.252 61.300 0.033 0.000 1.374 350 I CB -0.194 37.831 38.000 0.042 0.000 1.057 350 I HN 0.254 nan 8.210 nan 0.000 0.413 351 A N 0.673 123.567 122.820 0.123 0.000 1.902 351 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 351 A C 2.540 180.333 177.584 0.348 0.000 1.181 351 A CA 1.776 53.950 52.037 0.228 0.000 0.623 351 A CB -0.768 18.391 19.000 0.265 0.000 0.818 351 A HN 0.429 nan 8.150 nan 0.000 0.443 352 A N -0.501 122.447 122.820 0.213 0.000 1.898 352 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 352 A C 2.389 180.005 177.584 0.052 0.000 1.181 352 A CA 1.840 53.826 52.037 -0.085 0.000 0.620 352 A CB -1.312 17.514 19.000 -0.291 0.000 0.819 352 A HN 0.706 nan 8.150 nan 0.000 0.442 353 G N -0.586 108.231 108.800 0.028 0.000 2.408 353 G HA2 0.044 4.004 3.960 -0.000 0.000 0.217 353 G HA3 0.044 4.004 3.960 -0.000 0.000 0.217 353 G C 1.700 176.608 174.900 0.014 0.000 1.150 353 G CA 1.325 46.429 45.100 0.007 0.000 0.776 353 G HN 0.759 nan 8.290 nan 0.000 0.542 354 A N 0.615 123.461 122.820 0.045 0.000 1.898 354 A HA 0.028 4.347 4.320 -0.000 0.000 0.216 354 A C 2.199 179.816 177.584 0.056 0.000 1.181 354 A CA 2.040 54.092 52.037 0.025 0.000 0.620 354 A CB -0.369 18.658 19.000 0.045 0.000 0.819 354 A HN 0.387 nan 8.150 nan 0.000 0.442 355 K N -0.422 120.059 120.400 0.134 0.000 2.097 355 K HA 0.013 4.333 4.320 -0.000 0.000 0.205 355 K C 1.789 178.565 176.600 0.294 0.000 1.050 355 K CA 1.057 57.445 56.287 0.168 0.000 0.938 355 K CB -0.225 32.360 32.500 0.141 0.000 0.718 355 K HN 0.367 nan 8.250 nan 0.000 0.442 356 A N 0.244 123.254 122.820 0.316 0.000 2.238 356 A HA 0.197 4.517 4.320 -0.000 0.000 0.208 356 A C 1.051 178.646 177.584 0.018 0.000 1.177 356 A CA 0.679 52.825 52.037 0.182 0.000 0.804 356 A CB -0.319 18.660 19.000 -0.035 0.000 0.823 356 A HN 0.488 nan 8.150 nan 0.000 0.482 357 G N 0.075 108.867 108.800 -0.013 0.000 2.272 357 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.280 357 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.280 357 G C -0.238 174.550 174.900 -0.187 0.000 1.067 357 G CA 0.471 45.504 45.100 -0.112 0.000 0.902 357 G HN 0.402 nan 8.290 nan 0.000 0.500 358 K N -0.568 119.724 120.400 -0.180 0.000 2.316 358 K HA 0.631 4.950 4.320 -0.000 0.000 0.251 358 K C -0.486 176.015 176.600 -0.165 0.000 0.934 358 K CA -0.999 55.188 56.287 -0.168 0.000 0.802 358 K CB 1.564 34.005 32.500 -0.099 0.000 1.171 358 K HN 0.020 nan 8.250 nan 0.000 0.426 359 F N 1.778 121.716 119.950 -0.020 0.000 2.394 359 F HA 0.396 4.923 4.527 -0.000 0.000 0.340 359 F C 0.399 176.190 175.800 -0.014 0.000 1.105 359 F CA -0.656 57.342 58.000 -0.003 0.000 1.124 359 F CB 0.714 39.722 39.000 0.012 0.000 1.145 359 F HN 0.138 nan 8.300 nan 0.000 0.505 360 L N 4.264 125.615 121.223 0.213 0.000 2.381 360 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 360 L C -0.387 176.544 176.870 0.102 0.000 0.988 360 L CA -0.716 54.188 54.840 0.106 0.000 0.824 360 L CB 1.917 44.004 42.059 0.047 0.000 1.263 360 L HN 0.586 nan 8.230 nan 0.000 0.410 364 E N 1.067 121.225 120.200 -0.071 0.000 2.378 364 E HA 0.525 4.874 4.350 -0.000 0.000 0.265 364 E C -2.345 174.188 176.600 -0.111 0.000 0.932 364 E CA -1.412 54.942 56.400 -0.076 0.000 0.795 364 E CB 1.604 31.145 29.700 -0.265 0.000 1.296 364 E HN -0.107 nan 8.360 nan 0.000 0.438 365 P HA 0.141 nan 4.420 nan 0.000 0.277 365 P C -0.580 176.661 177.300 -0.098 0.000 1.276 365 P CA -0.187 62.855 63.100 -0.095 0.000 0.788 365 P CB 0.221 31.918 31.700 -0.004 0.000 1.114 366 Y N -0.005 120.325 120.300 0.049 0.000 2.674 366 Y HA 0.124 4.674 4.550 -0.000 0.000 0.354 366 Y C 1.705 177.635 175.900 0.049 0.000 1.089 366 Y CA 0.224 58.363 58.100 0.065 0.000 1.444 366 Y CB -0.151 38.340 38.460 0.052 0.000 1.187 366 Y HN 0.019 nan 8.280 nan 0.000 0.523 367 R N 1.566 122.173 120.500 0.178 0.000 2.615 367 R HA 0.416 4.756 4.340 -0.000 0.000 0.270 367 R C 0.441 176.783 176.300 0.070 0.000 1.081 367 R CA 0.030 56.204 56.100 0.123 0.000 1.154 367 R CB 0.862 31.261 30.300 0.164 0.000 1.063 367 R HN 0.691 nan 8.270 nan 0.000 0.519 368 T N -2.583 111.977 114.554 0.010 0.000 2.618 368 T HA 0.174 4.524 4.350 -0.000 0.000 0.286 368 T C -0.529 174.086 174.700 -0.142 0.000 1.027 368 T CA -1.124 60.926 62.100 -0.085 0.000 1.063 368 T CB 0.883 69.701 68.868 -0.083 0.000 1.440 368 T HN 0.588 nan 8.240 nan 0.000 0.505 369 Q N 0.749 120.386 119.800 -0.271 0.000 2.421 369 Q HA 0.522 4.861 4.340 -0.000 0.000 0.255 369 Q C 0.257 176.134 176.000 -0.205 0.000 1.013 369 Q CA -0.751 54.835 55.803 -0.362 0.000 0.895 369 Q CB 0.200 28.579 28.738 -0.599 0.000 1.271 369 Q HN 0.935 nan 8.270 nan 0.000 0.460 370 A N 2.898 125.598 122.820 -0.201 0.000 2.466 370 A HA 0.149 4.469 4.320 -0.000 0.000 0.238 370 A C -1.330 176.296 177.584 0.069 0.000 1.074 370 A CA -1.038 50.993 52.037 -0.011 0.000 0.774 370 A CB -0.276 18.757 19.000 0.056 0.000 1.015 370 A HN 0.805 nan 8.150 nan 0.000 0.498 371 P HA -0.131 nan 4.420 nan 0.000 0.231 371 P C 0.139 177.538 177.300 0.166 0.000 1.158 371 P CA 1.253 64.412 63.100 0.098 0.000 0.763 371 P CB -0.065 31.640 31.700 0.009 0.000 0.805 372 D N -1.943 118.618 120.400 0.268 0.000 2.349 372 D HA -0.118 4.522 4.640 -0.000 0.000 0.224 372 D C 0.464 176.847 176.300 0.139 0.000 1.029 372 D CA 0.330 54.494 54.000 0.273 0.000 0.879 372 D CB -1.170 39.887 40.800 0.428 0.000 0.906 372 D HN 0.348 nan 8.370 nan 0.000 0.528 373 H N 0.675 119.696 119.070 -0.081 0.000 2.317 373 H HA 0.266 4.822 4.556 -0.000 0.000 0.231 373 H C -2.427 172.795 175.328 -0.176 0.000 1.442 373 H CA -1.850 53.915 56.048 -0.471 0.000 1.336 373 H CB 0.732 30.117 29.762 -0.627 0.000 1.533 373 H HN 0.037 nan 8.280 nan 0.000 0.522 374 P HA -0.093 nan 4.420 nan 0.000 0.260 374 P C 0.184 177.601 177.300 0.195 0.000 1.172 374 P CA 0.703 63.906 63.100 0.172 0.000 0.760 374 P CB 0.621 32.377 31.700 0.095 0.000 0.773 375 I N 4.425 125.064 120.570 0.114 0.000 2.297 375 I HA 0.173 4.342 4.170 -0.000 0.000 0.291 375 I C 0.838 176.990 176.117 0.059 0.000 1.033 375 I CA -0.391 60.965 61.300 0.094 0.000 1.253 375 I CB 0.325 38.352 38.000 0.045 0.000 1.396 375 I HN 0.243 nan 8.210 nan 0.000 0.476 379 S N 1.167 116.879 115.700 0.020 0.000 2.381 379 S HA 0.210 4.680 4.470 -0.000 0.000 0.193 379 S C 0.676 175.291 174.600 0.025 0.000 1.287 379 S CA -0.682 57.528 58.200 0.017 0.000 1.199 379 S CB 1.005 64.200 63.200 -0.008 0.000 1.214 379 S HN 0.285 nan 8.310 nan 0.000 0.444 380 K N 1.571 121.991 120.400 0.032 0.000 2.173 380 K HA -0.155 4.164 4.320 -0.000 0.000 0.207 380 K C 0.900 177.520 176.600 0.033 0.000 1.046 380 K CA 1.332 57.636 56.287 0.029 0.000 0.929 380 K CB -0.181 32.334 32.500 0.025 0.000 0.720 380 K HN 0.534 nan 8.250 nan 0.000 0.453 381 D N 0.299 120.717 120.400 0.030 0.000 2.309 381 D HA -0.097 4.543 4.640 -0.000 0.000 0.212 381 D C 1.690 178.027 176.300 0.061 0.000 0.968 381 D CA 1.486 55.500 54.000 0.023 0.000 0.882 381 D CB -0.080 40.722 40.800 0.004 0.000 0.918 381 D HN 0.432 nan 8.370 nan 0.000 0.503 382 T N -1.983 112.616 114.554 0.074 0.000 3.023 382 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 382 T C 0.905 175.796 174.700 0.319 0.000 1.093 382 T CA 0.190 62.396 62.100 0.177 0.000 1.129 382 T CB 0.321 69.272 68.868 0.138 0.000 0.899 382 T HN 0.045 nan 8.240 nan 0.000 0.491 383 E N 0.361 120.666 120.200 0.176 0.000 2.197 383 E HA 0.375 4.725 4.350 -0.000 0.000 0.281 383 E C -0.298 176.379 176.600 0.128 0.000 0.995 383 E CA -0.911 55.545 56.400 0.092 0.000 0.808 383 E CB 0.741 30.450 29.700 0.016 0.000 1.093 383 E HN 0.643 nan 8.360 nan 0.000 0.394 384 Y N 2.764 123.058 120.300 -0.011 0.000 2.449 384 Y HA 0.332 4.882 4.550 -0.000 0.000 0.278 384 Y C -0.638 175.195 175.900 -0.111 0.000 1.066 384 Y CA -0.622 57.446 58.100 -0.053 0.000 1.166 384 Y CB 0.378 38.823 38.460 -0.024 0.000 1.346 384 Y HN 0.340 nan 8.280 nan 0.000 0.562 385 L N 2.948 123.791 121.223 -0.632 0.000 2.295 385 L HA 0.612 4.952 4.340 -0.000 0.000 0.285 385 L C -1.365 175.308 176.870 -0.328 0.000 1.035 385 L CA -0.728 53.836 54.840 -0.459 0.000 0.806 385 L CB 1.173 42.868 42.059 -0.606 0.000 1.214 385 L HN 0.059 nan 8.230 nan 0.000 0.426 386 K N 4.278 124.467 120.400 -0.353 0.000 2.324 386 K HA 0.563 4.883 4.320 -0.000 0.000 0.253 386 K C -1.522 174.902 176.600 -0.293 0.000 0.932 386 K CA -0.286 55.806 56.287 -0.325 0.000 0.799 386 K CB 1.994 34.188 32.500 -0.509 0.000 1.154 386 K HN 0.550 nan 8.250 nan 0.000 0.425 387 C N 4.380 123.655 119.300 -0.041 0.000 2.608 387 C HA 0.670 5.130 4.460 -0.000 0.000 0.325 387 C C -1.731 173.401 174.990 0.236 0.000 1.147 387 C CA -0.701 58.362 59.018 0.075 0.000 1.359 387 C CB -0.110 27.702 27.740 0.120 0.000 1.912 387 C HN 0.824 nan 8.230 nan 0.000 0.466 388 L N 4.830 126.194 121.223 0.235 0.000 2.386 388 L HA 0.659 4.999 4.340 -0.000 0.000 0.271 388 L C -1.114 175.834 176.870 0.129 0.000 0.993 388 L CA -0.398 54.584 54.840 0.238 0.000 0.819 388 L CB 1.810 43.990 42.059 0.202 0.000 1.294 388 L HN 0.488 nan 8.230 nan 0.000 0.414 389 F N 3.554 123.465 119.950 -0.065 0.000 2.402 389 F HA 0.578 5.105 4.527 -0.000 0.000 0.355 389 F C -0.212 175.476 175.800 -0.186 0.000 1.123 389 F CA -0.445 57.467 58.000 -0.146 0.000 1.021 389 F CB 1.307 40.185 39.000 -0.204 0.000 1.160 389 F HN 0.128 nan 8.300 nan 0.000 0.451 390 L N 3.939 125.132 121.223 -0.049 0.000 2.365 390 L HA 0.409 4.749 4.340 -0.000 0.000 0.273 390 L C -1.069 175.783 176.870 -0.030 0.000 1.000 390 L CA -1.234 53.581 54.840 -0.042 0.000 0.819 390 L CB 1.939 43.974 42.059 -0.041 0.000 1.284 390 L HN 0.427 nan 8.230 nan 0.000 0.418 391 Y N 2.934 123.155 120.300 -0.132 0.000 2.336 391 Y HA 0.474 5.024 4.550 -0.000 0.000 0.335 391 Y C -0.452 175.422 175.900 -0.045 0.000 1.046 391 Y CA -0.465 57.572 58.100 -0.106 0.000 1.198 391 Y CB 1.163 39.563 38.460 -0.100 0.000 1.182 391 Y HN 0.223 nan 8.280 nan 0.000 0.502 392 V N 6.746 126.400 119.914 -0.433 0.000 2.398 392 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 392 V C -0.674 175.193 176.094 -0.378 0.000 1.026 392 V CA -0.834 61.287 62.300 -0.298 0.000 0.868 392 V CB 1.379 33.077 31.823 -0.208 0.000 0.982 392 V HN 0.745 nan 8.190 nan 0.000 0.443 393 E N 2.617 122.728 120.200 -0.147 0.000 2.272 393 E HA 0.366 4.715 4.350 -0.000 0.000 0.269 393 E C -1.075 175.531 176.600 0.011 0.000 0.877 393 E CA -0.796 55.572 56.400 -0.054 0.000 0.755 393 E CB 2.227 31.985 29.700 0.096 0.000 1.192 393 E HN 0.639 nan 8.360 nan 0.000 0.422 396 R N 0.000 120.475 120.500 -0.041 0.000 2.786 396 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 396 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 396 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535