#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a03 h ALA 2 N 0.00 1.00 -0.80 3.04 0.00 -2.05 -3.40 119.26 117.05 1a03 h ALA 2 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1a03 h ALA 2 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1a03 h ALA 2 CO 0.00 0.00 -0.31 0.77 0.00 0.00 0.00 179.25 179.71 1a03 h SER 3 N 0.00 -1.11 -0.49 0.00 0.02 -2.05 0.83 113.55 110.76 1a03 h SER 3 Ca 0.00 0.26 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 1a03 h SER 3 Cb 0.97 0.61 -0.06 0.00 0.14 0.00 0.00 62.40 64.07 1a03 h SER 3 CO 0.00 -0.29 0.17 -0.65 -1.14 0.00 0.00 176.83 174.92 1a03 h PRO 4 N -0.06 0.34 -0.05 3.45 0.11 -1.99 0.23 132.00 134.03 1a03 h PRO 4 Ca 0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1a03 h PRO 4 Cb 0.59 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1a03 h PRO 4 CO -0.84 0.22 0.03 -0.07 -0.21 0.00 0.00 178.00 177.14 1a03 h LEU 5 N 0.35 0.06 -0.52 2.35 3.38 -1.24 0.12 115.31 119.82 1a03 h LEU 5 Ca 0.23 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1a03 h LEU 5 Cb 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1a03 h LEU 5 CO -0.24 0.07 0.31 -0.78 0.09 0.00 0.00 178.44 177.89 1a03 h ASP 6 N 0.05 0.51 -0.70 -0.43 3.58 -0.36 0.11 116.42 119.18 1a03 h ASP 6 Ca 0.02 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.51 1a03 h ASP 6 Cb 0.02 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 1a03 h ASP 6 CO -0.00 0.36 0.43 1.56 -2.88 0.00 0.00 179.24 178.71 1a03 h GLN 7 N 0.63 0.81 -0.15 0.28 4.20 -0.38 0.20 115.11 120.69 1a03 h GLN 7 Ca 0.20 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1a03 h GLN 7 Cb 0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1a03 h GLN 7 CO -0.09 0.53 0.05 0.00 -0.67 0.00 0.00 178.83 178.65 1a03 h ALA 8 N 1.32 0.20 -0.58 3.87 0.00 0.09 0.93 119.26 125.09 1a03 h ALA 8 Ca 0.29 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1a03 h ALA 8 Cb 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1a03 h ALA 8 CO -0.13 -0.18 0.18 0.82 0.00 0.00 0.00 179.25 179.94 1a03 h ILE 9 N 0.06 0.74 -0.25 0.00 2.04 -0.57 0.27 117.51 119.81 1a03 h ILE 9 Ca 0.05 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1a03 h ILE 9 Cb 0.23 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 1a03 h ILE 9 CO -0.00 0.06 -0.32 1.23 0.00 0.00 0.00 178.15 179.12 1a03 h GLY 10 N 0.34 -0.35 0.56 5.37 0.00 -0.01 0.13 103.07 109.11 1a03 h GLY 10 Ca 0.30 0.40 0.04 0.00 0.00 0.00 0.00 47.33 48.07 1a03 h GLY 10 CO -0.33 -0.21 -0.09 1.41 0.00 0.00 0.00 176.54 177.33 1a03 h LEU 11 N -0.33 -0.28 0.44 3.11 3.38 0.01 0.85 115.31 122.49 1a03 h LEU 11 Ca 0.13 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1a03 h LEU 11 Cb 0.54 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1a03 h LEU 11 CO -0.43 -0.11 -0.35 -0.07 0.09 0.00 0.00 178.44 177.56 1a03 h LEU 12 N -0.07 -0.93 -0.90 1.67 4.07 -0.34 0.14 115.31 118.95 1a03 h LEU 12 Ca 0.09 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 1a03 h LEU 12 Cb 0.21 0.30 -0.04 0.00 1.08 0.00 0.00 40.66 42.21 1a03 h LEU 12 CO -0.21 -0.52 0.33 -0.29 -1.08 0.00 0.00 178.44 176.68 1a03 h ILE 13 N -0.79 1.25 0.19 1.22 2.10 -0.69 0.14 117.51 120.93 1a03 h ILE 13 Ca -0.04 -0.76 0.01 0.00 1.08 0.00 0.00 64.86 65.15 1a03 h ILE 13 Cb 0.68 0.30 -0.03 0.00 -1.09 0.00 0.00 36.82 36.68 1a03 h ILE 13 CO -0.01 0.31 -0.27 1.23 -1.08 0.00 0.00 178.15 178.33 1a03 h GLY 14 N 1.14 -0.56 0.55 8.18 0.00 -0.63 0.10 103.07 111.86 1a03 h GLY 14 Ca 0.26 0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.99 1a03 h GLY 14 CO -0.03 -0.24 0.35 -2.22 0.00 0.00 0.00 176.54 174.41 1a03 h ILE 15 N -0.53 0.89 0.08 2.60 2.04 -0.26 0.21 117.51 122.53 1a03 h ILE 15 Ca 0.01 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1a03 h ILE 15 Cb 0.52 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1a03 h ILE 15 CO -0.11 0.11 -0.12 0.15 0.00 0.00 0.00 178.15 178.18 1a03 h PHE 16 N 0.62 -0.32 -0.45 1.37 3.04 -0.28 0.13 116.94 121.05 1a03 h PHE 16 Ca 0.33 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.27 1a03 h PHE 16 Cb 0.30 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 1a03 h PHE 16 CO -0.10 -0.19 0.23 1.25 -2.02 0.00 0.00 178.31 177.48 1a03 h HIS 17 N -0.25 0.60 0.64 0.41 2.76 -0.11 0.17 115.15 119.38 1a03 h HIS 17 Ca 0.02 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1a03 h HIS 17 Cb 0.26 -0.20 0.01 0.00 1.55 0.00 0.00 27.41 29.03 1a03 h HIS 17 CO -0.15 0.44 -0.31 -0.22 -1.30 0.00 0.00 177.93 176.39 1a03 h LYS 18 N 0.63 -0.83 0.00 5.26 3.64 -0.09 -2.70 116.57 122.48 1a03 h LYS 18 Ca 0.16 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1a03 h LYS 18 Cb 0.04 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1a03 h LYS 18 CO -0.02 -0.54 0.00 0.98 -2.27 0.00 0.00 179.45 177.59 1a03 n TYR 19 N -5.35 0.00 -0.22 1.91 9.36 0.40 -0.49 117.16 122.77 1a03 n TYR 19 Ca -0.11 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.12 1a03 n TYR 19 Cb 0.34 -0.12 0.13 0.00 -0.63 0.00 0.00 39.34 39.06 1a03 n TYR 19 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1a03 h SER 20 N 0.00 0.29 -0.01 2.98 0.02 -1.05 0.23 113.55 116.00 1a03 h SER 20 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1a03 h SER 20 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1a03 h SER 20 CO 0.00 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 1a03 n GLY 21 N -1.30 -0.95 4.09 -3.77 0.00 0.35 -3.28 105.19 100.32 1a03 n GLY 21 Ca 0.10 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1a03 n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a03 n LYS 22 N -0.49 -0.70 -2.17 1.61 5.02 0.07 -0.84 118.16 120.66 1a03 n LYS 22 Ca 0.02 0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.30 1a03 n LYS 22 Cb 0.01 -2.74 -0.01 0.00 -0.02 0.00 0.00 35.03 32.28 1a03 n LYS 22 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a03 n GLU 23 N -4.34 -2.31 0.00 1.97 1.02 0.36 -1.18 120.64 116.15 1a03 n GLU 23 Ca -0.22 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1a03 n GLU 23 Cb 0.57 -4.71 0.00 0.00 -0.02 0.00 0.00 31.44 27.29 1a03 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a03 n GLY 24 N -0.51 4.10 2.93 0.62 0.00 -0.02 -5.02 105.19 107.29 1a03 n GLY 24 Ca -0.06 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1a03 n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a03 n ASP 25 N 0.00 3.45 -4.62 1.61 2.03 -0.33 -4.92 116.55 113.78 1a03 n ASP 25 Ca 0.00 -2.79 -0.54 0.00 0.52 0.00 0.00 54.79 51.98 1a03 n ASP 25 Cb 0.00 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 38.85 1a03 n ASP 25 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1a03 n LYS 26 N 6.60 1.01 -3.82 -0.67 2.85 -1.16 -4.02 118.16 118.96 1a03 n LYS 26 Ca 0.51 0.37 -0.09 0.00 -1.05 0.00 0.00 58.31 58.05 1a03 n LYS 26 Cb 0.40 -2.00 -0.04 0.00 -0.65 0.00 0.00 35.03 32.74 1a03 n LYS 26 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1a03 s HIS 27 N 1.26 -0.04 0.60 5.58 3.76 -1.21 -4.98 115.29 120.27 1a03 s HIS 27 Ca 0.89 -0.33 0.04 0.00 -0.15 0.00 0.00 55.06 55.51 1a03 s HIS 27 Cb -1.03 0.42 0.08 0.00 1.11 0.00 0.00 32.58 33.16 1a03 s HIS 27 CO 0.53 -1.00 0.83 0.95 -0.85 0.00 0.00 174.74 175.20 1a03 s THR 28 N -3.91 2.34 -1.24 1.30 -4.23 -1.26 -3.58 115.64 105.06 1a03 s THR 28 Ca 0.12 -0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 59.70 1a03 s THR 28 Cb -0.02 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.44 1a03 s THR 28 CO 0.02 0.00 1.59 -0.11 -0.54 0.00 0.00 174.62 175.58 1a03 n LEU 29 N -2.42 5.61 -4.98 4.79 0.00 0.57 -4.79 117.00 115.78 1a03 n LEU 29 Ca 0.13 -4.46 -0.22 0.00 0.00 0.00 0.00 56.01 51.46 1a03 n LEU 29 Cb 0.61 -1.59 0.06 0.00 0.00 0.00 0.00 43.42 42.49 1a03 n LEU 29 CO 0.41 0.87 0.42 -0.94 0.00 0.00 0.00 177.39 178.15 1a03 s SER 30 N 2.42 5.01 0.20 1.96 1.04 -1.26 -1.01 113.70 122.05 1a03 s SER 30 Ca 0.43 -0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.77 1a03 s SER 30 Cb 0.01 -0.58 0.61 0.00 0.10 0.00 0.00 66.02 66.16 1a03 s SER 30 CO 0.01 -1.36 0.96 2.29 0.98 0.00 0.00 173.24 176.12 1a03 n LYS 31 N -2.48 -0.04 0.35 4.02 2.85 0.30 -0.57 118.16 122.59 1a03 n LYS 31 Ca 0.10 0.88 -0.18 0.00 -1.05 0.00 0.00 58.31 58.06 1a03 n LYS 31 Cb 0.60 -1.48 -0.09 0.00 -0.65 0.00 0.00 35.03 33.41 1a03 n LYS 31 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1a03 h LYS 32 N 0.00 -0.99 -0.88 -1.58 1.57 -1.93 0.30 116.57 113.06 1a03 h LYS 32 Ca 0.43 0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1a03 h LYS 32 Cb 1.01 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 1a03 h LYS 32 CO -0.53 -0.66 0.47 0.93 -0.57 0.00 0.00 179.45 179.09 1a03 h GLU 33 N -1.02 1.24 0.79 3.15 3.07 -1.17 -0.84 114.58 119.80 1a03 h GLU 33 Ca -0.08 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1a03 h GLU 33 Cb 0.85 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1a03 h GLU 33 CO 0.03 0.92 -0.39 1.25 -1.40 0.00 0.00 179.01 179.42 1a03 h LEU 34 N 1.24 -0.94 -1.24 1.33 5.85 -0.64 0.01 115.31 120.91 1a03 h LEU 34 Ca 0.31 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1a03 h LEU 34 Cb 0.05 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1a03 h LEU 34 CO -0.05 -0.66 0.46 0.07 -0.34 0.00 0.00 178.44 177.93 1a03 h LYS 35 N -1.08 0.97 0.08 1.25 2.10 -0.75 0.10 116.57 119.24 1a03 h LYS 35 Ca -0.11 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.50 1a03 h LYS 35 Cb 0.83 -0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 31.91 1a03 h LYS 35 CO 0.17 0.66 -0.36 1.49 -2.00 0.00 0.00 179.45 179.41 1a03 h GLU 36 N 0.99 -0.55 -0.07 0.07 4.81 -1.02 -0.18 114.58 118.64 1a03 h GLU 36 Ca 0.26 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1a03 h GLU 36 Cb -0.08 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1a03 h GLU 36 CO -0.05 -0.37 -0.07 1.25 -0.73 0.00 0.00 179.01 179.04 1a03 h LEU 37 N -0.57 -0.21 0.08 1.64 6.46 0.13 0.24 115.31 123.09 1a03 h LEU 37 Ca 0.04 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1a03 h LEU 37 Cb 0.62 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1a03 h LEU 37 CO -0.24 -0.09 -0.24 0.40 -0.62 0.00 0.00 178.44 177.65 1a03 h ILE 38 N -0.09 0.47 -0.35 4.05 1.08 -0.72 0.14 117.51 122.09 1a03 h ILE 38 Ca 0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1a03 h ILE 38 Cb 0.16 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 1a03 h ILE 38 CO -0.12 0.00 0.11 1.56 -0.69 0.00 0.00 178.15 179.01 1a03 h GLN 39 N -0.42 0.25 0.24 2.37 4.20 -0.82 0.24 115.11 121.18 1a03 h GLN 39 Ca 0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1a03 h GLN 39 Cb 0.46 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1a03 h GLN 39 CO -0.16 0.16 -0.12 -0.22 -0.67 0.00 0.00 178.83 177.83 1a03 h LYS 40 N 0.26 -0.31 0.00 1.46 1.63 -0.56 -3.25 116.57 115.80 1a03 h LYS 40 Ca 0.16 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1a03 h LYS 40 Cb 0.14 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1a03 h LYS 40 CO -0.17 0.01 0.00 0.93 -3.45 0.00 0.00 179.45 176.77 1a03 h GLU 41 N -0.66 0.00 0.00 1.90 4.39 -0.72 -3.47 114.58 116.02 1a03 h GLU 41 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1a03 h GLU 41 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1a03 h GLU 41 CO 0.05 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.18 1a03 n LEU 42 N -3.06 0.00 -3.68 1.33 4.77 0.84 -4.78 117.00 112.42 1a03 n LEU 42 Ca 0.04 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 1a03 n LEU 42 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1a03 n LEU 42 CO 0.33 0.00 -0.05 1.07 -1.33 0.00 0.00 177.39 177.41 1a03 n THR 43 N 0.00 -0.68 -1.20 -5.08 5.66 -1.26 -4.82 114.28 106.89 1a03 n THR 43 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1a03 n THR 43 Cb 0.00 -1.31 -0.05 0.00 -1.55 0.00 0.00 70.33 67.42 1a03 n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a03 n ILE 44 N -3.88 3.94 -1.25 1.09 3.06 -1.26 -4.71 119.36 116.35 1a03 n ILE 44 Ca 0.04 -2.31 -0.37 0.00 -2.50 0.00 0.00 62.75 57.60 1a03 n ILE 44 Cb 0.51 -2.49 -0.03 0.00 0.54 0.00 0.00 39.64 38.17 1a03 n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1a03 n GLY 45 N 3.46 3.56 0.37 4.50 0.00 -1.26 -4.73 105.19 111.09 1a03 n GLY 45 Ca 0.70 -1.31 0.16 0.00 0.00 0.00 0.00 46.02 45.58 1a03 n GLY 45 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a03 h SER 46 N 6.39 0.65 -0.23 1.61 4.64 -1.96 0.76 113.55 125.41 1a03 h SER 46 Ca 0.58 0.09 -0.41 0.00 -0.47 0.00 0.00 61.79 61.58 1a03 h SER 46 Cb 0.46 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1a03 h SER 46 CO 1.78 0.20 1.32 0.29 -0.87 0.00 0.00 176.83 179.56 1a03 n LYS 47 N -4.72 1.21 0.00 4.77 5.02 -1.26 -4.58 118.16 118.60 1a03 n LYS 47 Ca 0.24 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 1a03 n LYS 47 Cb 0.67 -3.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.29 1a03 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a03 n LEU 48 N 12.58 0.00 -0.31 -0.35 4.32 -1.24 -4.72 117.00 127.28 1a03 n LEU 48 Ca 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.37 1a03 n LEU 48 Cb 0.44 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.17 1a03 n LEU 48 CO 0.83 0.00 0.43 1.67 -1.22 0.00 0.00 177.39 179.10 1a03 n GLN 49 N 0.00 -0.33 -0.11 3.23 7.27 -1.11 -0.47 117.38 125.87 1a03 n GLN 49 Ca 0.00 1.27 -0.12 0.00 0.07 0.00 0.00 57.00 58.22 1a03 n GLN 49 Cb 0.00 -1.87 -0.03 0.00 2.41 0.00 0.00 30.24 30.75 1a03 n GLN 49 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1a03 h ASP 50 N 0.00 0.65 -0.71 1.69 3.04 -1.13 0.18 116.42 120.13 1a03 h ASP 50 Ca 0.12 -0.39 0.14 0.00 -3.24 0.00 0.00 57.03 53.66 1a03 h ASP 50 Cb 0.30 -0.18 -0.10 0.00 -1.04 0.00 0.00 39.33 38.32 1a03 h ASP 50 CO -0.70 0.89 0.22 0.00 -2.04 0.00 0.00 179.24 177.62 1a03 h ALA 51 N 0.78 0.95 -0.51 4.15 0.00 -1.63 0.15 119.26 123.15 1a03 h ALA 51 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1a03 h ALA 51 Cb 0.63 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1a03 h ALA 51 CO 0.04 -0.27 0.32 1.49 0.00 0.00 0.00 179.25 180.82 1a03 h GLU 52 N 0.35 0.68 -0.00 0.00 4.81 -0.15 0.90 114.58 121.16 1a03 h GLU 52 Ca 0.39 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1a03 h GLU 52 Cb 0.62 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1a03 h GLU 52 CO -0.44 0.48 0.00 0.82 -0.73 0.00 0.00 179.01 179.14 1a03 h ILE 53 N 0.68 1.03 -0.34 2.32 2.04 0.14 0.78 117.51 124.16 1a03 h ILE 53 Ca 0.18 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1a03 h ILE 53 Cb -0.04 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1a03 h ILE 53 CO -0.04 0.02 0.09 0.58 0.00 0.00 0.00 178.15 178.80 1a03 h VAL 54 N -0.03 0.86 -0.04 1.67 2.07 -0.67 0.50 116.25 120.62 1a03 h VAL 54 Ca 0.00 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1a03 h VAL 54 Cb 0.03 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1a03 h VAL 54 CO -0.00 0.04 -0.08 0.50 0.02 0.00 0.00 177.57 178.05 1a03 h LYS 55 N 0.22 -0.11 0.07 1.57 3.64 -0.47 0.11 116.57 121.58 1a03 h LYS 55 Ca 0.16 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1a03 h LYS 55 Cb 0.16 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1a03 h LYS 55 CO -0.19 -0.07 -0.11 -0.07 -2.27 0.00 0.00 179.45 176.74 1a03 h LEU 56 N -0.12 -0.29 -0.22 5.20 3.38 -0.49 0.11 115.31 122.88 1a03 h LEU 56 Ca 0.05 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1a03 h LEU 56 Cb 0.18 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1a03 h LEU 56 CO -0.11 -0.16 -0.23 0.24 0.09 0.00 0.00 178.44 178.27 1a03 h MET 57 N -0.22 -0.23 -0.27 1.13 2.86 -0.70 0.39 114.93 117.90 1a03 h MET 57 Ca 0.02 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1a03 h MET 57 Cb 0.23 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1a03 h MET 57 CO -0.06 -0.15 -0.03 0.22 1.06 0.00 0.00 176.91 177.94 1a03 h ASP 58 N -0.24 -0.17 0.08 1.22 3.58 -0.48 0.24 116.42 120.65 1a03 h ASP 58 Ca 0.13 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.66 1a03 h ASP 58 Cb 0.44 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1a03 h ASP 58 CO -0.36 -0.05 -0.12 -0.78 -2.88 0.00 0.00 179.24 175.04 1a03 h ASP 59 N 0.04 -0.33 -0.31 2.28 3.58 -0.24 -3.11 116.42 118.33 1a03 h ASP 59 Ca 0.13 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 1a03 h ASP 59 Cb 0.18 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1a03 h ASP 59 CO -0.25 -0.18 0.02 -0.07 -2.88 0.00 0.00 179.24 175.88 1a03 h LEU 60 N -0.25 0.51 -7.37 2.28 3.38 -0.73 -3.35 115.31 109.78 1a03 h LEU 60 Ca 0.02 -0.29 -0.52 0.00 0.09 0.00 0.00 57.88 57.18 1a03 h LEU 60 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1a03 h LEU 60 CO -0.06 0.67 1.82 -0.67 0.09 0.00 0.00 178.44 180.29 1a03 n ASP 61 N -4.59 3.37 -0.46 -0.43 2.03 0.81 -4.77 116.55 112.50 1a03 n ASP 61 Ca -0.02 -2.75 0.39 0.00 0.52 0.00 0.00 54.79 52.93 1a03 n ASP 61 Cb 0.24 -1.57 0.71 0.00 -0.72 0.00 0.00 41.12 39.79 1a03 n ASP 61 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1a03 h ARG 62 N 8.45 0.07 0.00 -0.67 -0.00 -1.74 0.17 114.38 120.66 1a03 h ARG 62 Ca 0.35 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.33 1a03 h ARG 62 Cb 0.82 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.78 1a03 h ARG 62 CO 1.53 0.05 -0.00 -0.97 -0.00 0.00 0.00 179.97 180.58 1a03 h ASN 63 N 0.07 0.00 0.00 0.08 -1.24 -1.90 -3.47 115.58 109.13 1a03 h ASN 63 Ca 0.74 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.75 1a03 h ASN 63 Cb 2.67 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.72 1a03 h ASN 63 CO -0.16 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.27 1a03 n LYS 64 N -3.10 0.00 -1.85 6.67 4.01 0.59 -4.81 118.16 119.68 1a03 n LYS 64 Ca -0.00 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.39 1a03 n LYS 64 Cb 0.25 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.75 1a03 n LYS 64 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1a03 s ASP 65 N 0.00 5.47 -0.90 4.39 2.15 -1.26 -4.82 116.67 121.70 1a03 s ASP 65 Ca 0.00 1.25 -0.29 0.00 0.43 0.00 0.00 52.55 53.94 1a03 s ASP 65 Cb 0.00 -2.52 -0.20 0.00 -0.30 0.00 0.00 42.92 39.90 1a03 s ASP 65 CO 0.00 -2.05 2.47 1.67 -0.17 0.00 0.00 175.17 177.08 1a03 n GLN 66 N 8.72 0.00 -3.15 4.34 -0.06 -1.26 -4.84 117.38 121.13 1a03 n GLN 66 Ca 0.26 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 55.06 1a03 n GLN 66 Cb 0.48 -1.38 -0.05 0.00 -4.06 0.00 0.00 30.24 25.23 1a03 n GLN 66 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1a03 n GLU 67 N 7.79 0.52 -3.09 3.69 -0.58 -1.26 -0.54 120.64 127.18 1a03 n GLU 67 Ca 0.60 -2.86 -0.42 0.00 -0.42 0.00 0.00 57.16 54.06 1a03 n GLU 67 Cb 0.02 -1.43 -0.06 0.00 -0.57 0.00 0.00 31.44 29.40 1a03 n GLU 67 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1a03 s VAL 68 N -0.27 4.87 0.54 2.62 1.01 -0.18 -4.88 120.40 124.11 1a03 s VAL 68 Ca 0.33 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 1a03 s VAL 68 Cb 0.12 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1a03 s VAL 68 CO -0.15 -0.35 0.80 0.21 0.00 0.00 0.00 175.10 175.61 1a03 s ASN 69 N 1.81 5.56 0.38 3.32 3.84 -1.26 -0.31 114.94 128.28 1a03 s ASN 69 Ca 0.25 0.40 0.13 0.00 0.21 0.00 0.00 52.86 53.85 1a03 s ASN 69 Cb -0.14 -1.44 0.95 0.00 -0.55 0.00 0.00 41.25 40.06 1a03 s ASN 69 CO 0.15 -0.98 1.84 0.15 -2.79 0.00 0.00 177.10 175.47 1a03 h PHE 70 N 0.05 0.72 -0.35 0.43 3.57 -1.97 0.29 116.94 119.68 1a03 h PHE 70 Ca -0.45 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.14 1a03 h PHE 70 Cb 1.27 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.72 1a03 h PHE 70 CO 0.44 0.20 -0.11 0.37 -2.23 0.00 0.00 178.31 176.98 1a03 h GLN 71 N 0.55 -0.03 -0.51 1.11 4.15 -2.00 0.85 115.11 119.24 1a03 h GLN 71 Ca 0.49 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.88 1a03 h GLN 71 Cb 1.00 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 1a03 h GLN 71 CO -0.22 -0.02 0.20 0.93 -1.93 0.00 0.00 178.83 177.79 1a03 h GLU 72 N -0.03 0.76 -0.60 1.69 3.07 -0.90 -2.20 114.58 116.37 1a03 h GLU 72 Ca 0.17 -0.14 0.11 0.00 -0.50 0.00 0.00 59.36 59.00 1a03 h GLU 72 Cb 0.29 -0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 28.00 1a03 h GLU 72 CO -0.38 0.67 0.17 -0.92 -1.40 0.00 0.00 179.01 177.15 1a03 h TYR 73 N 0.68 0.28 -0.02 4.33 3.20 -0.25 0.32 116.97 125.51 1a03 h TYR 73 Ca 0.17 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1a03 h TYR 73 Cb 0.20 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1a03 h TYR 73 CO 0.01 0.02 -0.01 0.82 -1.64 0.00 0.00 178.16 177.35 1a03 h ILE 74 N 0.31 0.97 -0.20 1.81 1.08 -0.42 0.25 117.51 121.31 1a03 h ILE 74 Ca 0.31 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.77 1a03 h ILE 74 Cb 0.44 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1a03 h ILE 74 CO -0.37 0.00 0.07 0.71 -0.69 0.00 0.00 178.15 177.87 1a03 h THR 75 N -0.01 1.09 -0.54 -0.27 1.35 -0.80 -0.38 112.91 113.36 1a03 h THR 75 Ca 0.01 -0.29 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 1a03 h THR 75 Cb 0.02 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 1a03 h THR 75 CO -0.03 0.11 0.22 0.15 -0.25 0.00 0.00 175.52 175.72 1a03 h PHE 76 N 0.28 0.82 0.01 4.73 3.57 0.73 0.11 116.94 127.19 1a03 h PHE 76 Ca 0.07 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1a03 h PHE 76 Cb 0.08 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1a03 h PHE 76 CO 0.00 0.67 -0.23 1.25 -2.23 0.00 0.00 178.31 177.77 1a03 h LEU 77 N 0.73 -0.69 -0.73 0.59 6.46 0.33 0.14 115.31 122.13 1a03 h LEU 77 Ca 0.18 0.10 0.11 0.00 -0.12 0.00 0.00 57.88 58.15 1a03 h LEU 77 Cb 0.20 0.28 -0.12 0.00 -0.73 0.00 0.00 40.66 40.29 1a03 h LEU 77 CO -0.01 -0.30 -0.41 1.23 -0.62 0.00 0.00 178.44 178.32 1a03 h GLY 78 N -0.37 -0.25 0.89 3.75 0.00 -0.53 0.74 103.07 107.30 1a03 h GLY 78 Ca 0.06 0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 1a03 h GLY 78 CO -0.21 -0.17 -0.15 0.00 0.00 0.00 0.00 176.54 176.02 1a03 h ALA 79 N 0.92 -0.41 -0.92 3.60 0.00 -0.18 0.15 119.26 122.43 1a03 h ALA 79 Ca 0.24 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1a03 h ALA 79 Cb 0.56 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1a03 h ALA 79 CO -0.79 -0.67 0.59 -0.07 0.00 0.00 0.00 179.25 178.30 1a03 h LEU 80 N -0.53 0.84 0.30 0.00 3.38 -0.33 0.19 115.31 119.15 1a03 h LEU 80 Ca -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1a03 h LEU 80 Cb 0.40 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1a03 h LEU 80 CO 0.07 0.49 -0.14 0.00 0.09 0.00 0.00 178.44 178.95 1a03 h ALA 81 N 1.54 -0.40 -0.99 1.53 0.00 -0.77 -3.35 119.26 116.82 1a03 h ALA 81 Ca 0.43 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1a03 h ALA 81 Cb 0.40 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 1a03 h ALA 81 CO -0.19 -0.53 0.61 1.98 0.00 0.00 0.00 179.25 181.12 1a03 h MET 82 N -0.78 0.84 -0.22 0.00 1.85 0.69 0.14 114.93 117.45 1a03 h MET 82 Ca -0.04 -0.05 0.06 0.00 -0.61 0.00 0.00 59.70 59.06 1a03 h MET 82 Cb 0.51 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 1a03 h MET 82 CO 0.07 0.56 0.18 -0.84 -0.40 0.00 0.00 176.91 176.47 1a03 h ILE 83 N 0.87 0.75 0.00 1.77 3.07 -1.14 -2.67 117.51 120.15 1a03 h ILE 83 Ca 0.53 0.00 -0.62 0.00 1.55 0.00 0.00 64.86 66.32 1a03 h ILE 83 Cb 0.69 0.87 0.01 0.00 -0.27 0.00 0.00 36.82 38.12 1a03 h ILE 83 CO -0.33 0.00 2.93 -1.22 -1.05 0.00 0.00 178.15 178.49 1a03 n TYR 84 N -4.26 2.41 -1.48 0.16 4.01 0.50 -4.91 117.16 113.60 1a03 n TYR 84 Ca 0.02 -2.46 -0.29 0.00 -0.16 0.00 0.00 57.90 55.01 1a03 n TYR 84 Cb 0.32 -2.13 0.17 0.00 -0.31 0.00 0.00 39.34 37.39 1a03 n TYR 84 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a03 s ASN 85 N 3.57 2.83 0.00 7.72 2.20 -1.01 -4.15 114.94 126.10 1a03 s ASN 85 Ca 0.53 0.80 0.00 0.00 -0.94 0.00 0.00 52.86 53.24 1a03 s ASN 85 Cb 0.14 -1.22 0.00 0.00 -2.00 0.00 0.00 41.25 38.17 1a03 s ASN 85 CO -0.01 -2.96 0.00 1.21 -2.94 0.00 0.00 177.10 172.40 1a03 n GLU 86 N -4.01 0.00 -0.33 3.55 2.13 -1.26 -4.52 120.64 116.20 1a03 n GLU 86 Ca 0.09 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.95 1a03 n GLU 86 Cb 0.59 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.41 1a03 n GLU 86 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a03 h ALA 87 N 0.00 0.52 -0.99 4.31 0.00 -1.85 0.58 119.26 121.83 1a03 h ALA 87 Ca 0.00 0.34 -0.54 0.00 0.00 0.00 0.00 54.91 54.71 1a03 h ALA 87 Cb 0.00 0.75 -0.42 0.00 0.00 0.00 0.00 17.79 18.12 1a03 h ALA 87 CO 0.00 -0.44 -0.81 1.47 0.00 0.00 0.00 179.25 179.47 1a03 n LEU 88 N -5.57 4.62 -2.77 0.00 -0.00 -1.26 -4.70 117.00 107.33 1a03 n LEU 88 Ca 0.13 -4.80 -0.04 0.00 -0.00 0.00 0.00 56.01 51.31 1a03 n LEU 88 Cb 0.45 -0.32 0.04 0.00 -0.00 0.00 0.00 43.42 43.59 1a03 n LEU 88 CO -0.09 2.09 -0.04 0.29 -0.00 0.00 0.00 177.39 179.64 1a03 n LYS 89 N -0.61 1.49 -0.31 1.47 5.02 0.19 -5.04 118.16 120.38 1a03 n LYS 89 Ca 0.40 -3.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1a03 n LYS 89 Cb 0.86 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1a03 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29