#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a03 n ALA 2 N 0.00 3.28 -0.26 3.04 0.00 -1.26 -4.85 120.51 120.46 1a03 n ALA 2 Ca 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 53.44 50.03 1a03 n ALA 2 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 19.45 15.84 1a03 n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a03 n SER 3 N 9.00 -0.57 -0.03 0.00 7.64 -1.26 -0.49 113.62 127.91 1a03 n SER 3 Ca 0.49 1.15 -0.08 0.00 1.01 0.00 0.00 58.87 61.43 1a03 n SER 3 Cb 0.42 -0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1a03 n SER 3 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1a03 h PRO 4 N 0.00 -0.06 -0.70 1.43 0.13 -1.99 0.67 132.00 131.48 1a03 h PRO 4 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1a03 h PRO 4 Cb 0.32 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 1a03 h PRO 4 CO -0.63 -0.04 0.43 -0.07 -0.23 0.00 0.00 178.00 177.46 1a03 h LEU 5 N -0.07 0.83 0.47 1.56 4.07 -1.19 0.65 115.31 121.62 1a03 h LEU 5 Ca 0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1a03 h LEU 5 Cb 0.22 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1a03 h LEU 5 CO -0.23 0.63 -0.23 0.44 -1.08 0.00 0.00 178.44 177.97 1a03 h ASP 6 N 0.95 -0.53 -0.12 -0.43 3.32 -0.20 0.12 116.42 119.53 1a03 h ASP 6 Ca 0.25 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1a03 h ASP 6 Cb -0.05 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1a03 h ASP 6 CO -0.05 -0.38 -0.05 0.06 -1.72 0.00 0.00 179.24 177.11 1a03 h GLN 7 N -0.64 0.38 0.16 3.56 3.07 -0.82 0.11 115.11 120.94 1a03 h GLN 7 Ca -0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 58.65 58.59 1a03 h GLN 7 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1a03 h GLN 7 CO 0.11 0.45 -0.08 0.00 0.09 0.00 0.00 178.83 179.40 1a03 h ALA 8 N 1.59 -0.22 -0.07 0.06 0.00 -0.37 0.98 119.26 121.23 1a03 h ALA 8 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1a03 h ALA 8 Cb 0.32 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1a03 h ALA 8 CO 0.01 -0.54 -0.50 0.82 0.00 0.00 0.00 179.25 179.05 1a03 h ILE 9 N -0.39 0.05 -0.43 0.00 1.08 -0.55 0.49 117.51 117.76 1a03 h ILE 9 Ca -0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 1a03 h ILE 9 Cb 0.30 0.05 -0.09 0.00 -3.07 0.00 0.00 36.82 34.01 1a03 h ILE 9 CO 0.04 0.00 -0.35 1.23 -0.69 0.00 0.00 178.15 178.37 1a03 h GLY 10 N -0.60 -0.30 0.90 5.37 0.00 -0.77 0.91 103.07 108.58 1a03 h GLY 10 Ca 0.04 0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.78 1a03 h GLY 10 CO -0.39 -0.20 -0.34 -2.00 0.00 0.00 0.00 176.54 173.61 1a03 h LEU 11 N -0.26 -0.80 -0.05 3.11 7.12 -0.53 0.21 115.31 124.11 1a03 h LEU 11 Ca 0.17 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.19 1a03 h LEU 11 Cb 0.55 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.89 1a03 h LEU 11 CO -0.57 -0.51 0.03 -0.07 -0.13 0.00 0.00 178.44 177.19 1a03 h LEU 12 N -1.06 0.07 -0.72 2.25 3.38 -0.66 0.79 115.31 119.35 1a03 h LEU 12 Ca -0.10 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1a03 h LEU 12 Cb 0.75 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1a03 h LEU 12 CO 0.16 0.13 -0.49 0.40 0.09 0.00 0.00 178.44 178.73 1a03 h ILE 13 N -0.01 1.33 0.02 1.22 5.03 -0.89 -1.42 117.51 122.79 1a03 h ILE 13 Ca 0.02 -1.72 0.03 0.00 -0.12 0.00 0.00 64.86 63.07 1a03 h ILE 13 Cb 0.08 1.77 -0.04 0.00 -3.03 0.00 0.00 36.82 35.60 1a03 h ILE 13 CO -0.00 0.52 -0.27 1.23 -0.68 0.00 0.00 178.15 178.95 1a03 h GLY 14 N 1.24 -0.43 0.26 5.37 0.00 -0.14 0.15 103.07 109.51 1a03 h GLY 14 Ca 0.01 0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.73 1a03 h GLY 14 CO 0.08 -0.22 -0.17 -2.22 0.00 0.00 0.00 176.54 174.01 1a03 h ILE 15 N -0.42 0.51 -0.65 2.60 2.04 -0.58 -0.86 117.51 120.14 1a03 h ILE 15 Ca 0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.04 1a03 h ILE 15 Cb 0.50 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 1a03 h ILE 15 CO -0.22 0.00 0.16 0.15 0.00 0.00 0.00 178.15 178.24 1a03 h PHE 16 N -0.16 0.25 0.00 1.37 3.57 -0.87 -0.40 116.94 120.70 1a03 h PHE 16 Ca 0.14 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1a03 h PHE 16 Cb 0.37 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1a03 h PHE 16 CO -0.34 -0.04 0.00 0.72 -2.23 0.00 0.00 178.31 176.42 1a03 n HIS 17 N -5.12 0.16 -0.32 0.41 8.25 0.49 -0.63 115.22 118.46 1a03 n HIS 17 Ca 0.11 0.06 0.04 0.00 -0.26 0.00 0.00 57.72 57.67 1a03 n HIS 17 Cb 0.37 -0.60 0.23 0.00 1.12 0.00 0.00 29.99 31.10 1a03 n HIS 17 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1a03 h LYS 18 N 0.00 1.02 0.00 -0.41 1.57 0.04 0.33 116.57 119.13 1a03 h LYS 18 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1a03 h LYS 18 Cb 0.28 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1a03 h LYS 18 CO 0.00 0.68 0.00 0.66 -0.57 0.00 0.00 179.45 180.22 1a03 n TYR 19 N -4.50 0.00 0.58 -1.35 4.01 -0.53 -4.51 117.16 110.86 1a03 n TYR 19 Ca 0.14 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.95 1a03 n TYR 19 Cb 0.21 -0.46 0.31 0.00 -0.31 0.00 0.00 39.34 39.09 1a03 n TYR 19 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1a03 n SER 20 N -2.03 0.00 -0.11 7.72 7.64 0.20 -1.39 113.62 125.65 1a03 n SER 20 Ca 0.00 0.13 -0.01 0.00 1.01 0.00 0.00 58.87 60.00 1a03 n SER 20 Cb 0.00 -0.30 0.23 0.00 -1.01 0.00 0.00 64.21 63.14 1a03 n SER 20 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a03 h GLY 21 N 2.05 0.83 0.85 0.23 0.00 -0.55 -2.47 103.07 104.01 1a03 h GLY 21 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1a03 h GLY 21 CO 0.00 0.42 -0.02 0.50 0.00 0.00 0.00 176.54 177.44 1a03 h LYS 22 N 0.75 -0.05 -2.40 4.80 6.56 -1.43 -3.12 116.57 121.68 1a03 h LYS 22 Ca 0.17 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 59.36 1a03 h LYS 22 Cb 0.22 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.85 1a03 h LYS 22 CO -0.01 0.11 1.38 0.39 -2.06 0.00 0.00 179.45 179.27 1a03 n GLU 23 N -5.04 2.78 -0.80 3.15 1.02 -0.95 -4.95 120.64 115.85 1a03 n GLU 23 Ca -0.08 -1.63 -0.32 0.00 -0.02 0.00 0.00 57.16 55.11 1a03 n GLU 23 Cb 0.11 -2.34 0.16 0.00 -0.02 0.00 0.00 31.44 29.35 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 2.78 -0.31 4.75 0.62 0.00 -1.11 -0.31 105.19 111.61 1a03 n GLY 24 Ca 0.58 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1a03 n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a03 n ASP 25 N -3.91 0.00 -0.01 1.61 5.68 -1.26 -4.31 116.55 114.35 1a03 n ASP 25 Ca 0.12 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.29 1a03 n ASP 25 Cb 0.52 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.40 1a03 n ASP 25 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1a03 h LYS 26 N 0.00 -0.04 -6.04 0.11 1.57 -1.92 -3.48 116.57 106.77 1a03 h LYS 26 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1a03 h LYS 26 Cb 0.00 0.01 0.08 0.00 0.08 0.00 0.00 32.23 32.40 1a03 h LYS 26 CO 0.00 0.50 -0.86 0.72 -0.57 0.00 0.00 179.45 179.25 1a03 n HIS 27 N -4.84 -1.97 -4.34 -1.35 8.25 0.57 -5.02 115.22 106.52 1a03 n HIS 27 Ca -0.09 0.77 -0.18 0.00 -0.26 0.00 0.00 57.72 57.96 1a03 n HIS 27 Cb 0.28 -4.18 -0.10 0.00 1.12 0.00 0.00 29.99 27.12 1a03 n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1a03 s THR 28 N -3.60 0.45 -0.28 1.59 -4.23 -1.26 -4.61 115.64 103.71 1a03 s THR 28 Ca 0.14 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1a03 s THR 28 Cb -0.04 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.32 1a03 s THR 28 CO 0.81 0.00 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.66 1a03 s LEU 29 N -3.37 3.22 0.52 4.79 0.20 0.15 -4.45 118.68 119.74 1a03 s LEU 29 Ca 0.36 -1.54 0.00 0.00 0.69 0.00 0.00 54.13 53.64 1a03 s LEU 29 Cb 0.06 -1.30 0.02 0.00 -0.43 0.00 0.00 46.19 44.54 1a03 s LEU 29 CO 0.16 -0.30 0.75 -0.94 -0.29 0.00 0.00 176.35 175.73 1a03 s SER 30 N 1.26 5.47 0.25 3.68 1.04 -1.26 -0.20 113.70 123.94 1a03 s SER 30 Ca 0.01 0.13 0.14 0.00 0.48 0.00 0.00 55.95 56.71 1a03 s SER 30 Cb -0.19 -1.14 0.91 0.00 0.10 0.00 0.00 66.02 65.70 1a03 s SER 30 CO -0.10 -1.00 1.06 2.29 0.98 0.00 0.00 173.24 176.48 1a03 n LYS 31 N -2.27 -0.04 0.34 4.02 2.85 0.62 -0.38 118.16 123.29 1a03 n LYS 31 Ca 0.05 0.93 -0.17 0.00 -1.05 0.00 0.00 58.31 58.08 1a03 n LYS 31 Cb 0.59 -1.67 -0.09 0.00 -0.65 0.00 0.00 35.03 33.21 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 -0.81 -0.84 -1.58 1.57 -1.93 0.12 116.57 113.10 1a03 h LYS 32 Ca 0.57 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.38 1a03 h LYS 32 Cb 1.51 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.96 1a03 h LYS 32 CO -0.52 -0.51 0.41 0.93 -0.57 0.00 0.00 179.45 179.19 1a03 h GLU 33 N -0.93 1.20 0.18 3.15 3.07 -1.07 -0.40 114.58 119.78 1a03 h GLU 33 Ca -0.09 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1a03 h GLU 33 Cb 0.67 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1a03 h GLU 33 CO 0.14 0.91 -0.16 1.25 -1.40 0.00 0.00 179.01 179.75 1a03 h LEU 34 N 1.19 -0.42 -0.38 1.33 5.85 -0.63 0.11 115.31 122.36 1a03 h LEU 34 Ca 0.29 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.12 1a03 h LEU 34 Cb 0.10 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1a03 h LEU 34 CO -0.04 -0.25 -0.01 0.50 -0.34 0.00 0.00 178.44 178.30 1a03 h LYS 35 N -0.36 0.08 0.00 1.25 3.11 -0.37 0.17 116.57 120.46 1a03 h LYS 35 Ca -0.00 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.86 1a03 h LYS 35 Cb 0.33 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.49 1a03 h LYS 35 CO -0.03 0.05 -0.38 1.49 -2.81 0.00 0.00 179.45 177.77 1a03 h GLU 36 N 0.09 -0.52 0.48 1.90 4.81 -0.71 0.15 114.58 120.77 1a03 h GLU 36 Ca 0.18 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1a03 h GLU 36 Cb 0.26 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1a03 h GLU 36 CO -0.32 -0.35 -0.48 1.25 -0.73 0.00 0.00 179.01 178.38 1a03 h LEU 37 N -0.54 -1.31 -0.22 1.64 5.85 -0.23 -0.43 115.31 120.07 1a03 h LEU 37 Ca 0.05 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1a03 h LEU 37 Cb 0.62 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1a03 h LEU 37 CO -0.30 -0.64 -0.16 0.40 -0.34 0.00 0.00 178.44 177.40 1a03 h ILE 38 N -0.97 0.56 -0.40 4.05 1.08 -0.56 0.13 117.51 121.40 1a03 h ILE 38 Ca -0.06 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.49 1a03 h ILE 38 Cb 0.84 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 35.08 1a03 h ILE 38 CO -0.06 0.00 -0.10 -0.61 -0.69 0.00 0.00 178.15 176.69 1a03 h GLN 39 N -0.15 0.00 -0.40 2.37 4.15 -0.56 0.30 115.11 120.82 1a03 h GLN 39 Ca 0.13 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.55 1a03 h GLN 39 Cb 0.34 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1a03 h GLN 39 CO -0.31 0.00 0.26 0.87 -1.93 0.00 0.00 178.83 177.72 1a03 h LYS 40 N 0.00 0.51 -0.20 1.69 1.79 -0.07 -2.50 116.57 117.79 1a03 h LYS 40 Ca 0.19 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.58 1a03 h LYS 40 Cb 0.29 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1a03 h LYS 40 CO -0.41 0.34 -0.09 0.93 -1.08 0.00 0.00 179.45 179.14 1a03 h GLU 41 N 0.52 0.31 -3.94 3.15 5.08 0.03 -3.36 114.58 116.38 1a03 h GLU 41 Ca 0.15 -0.07 -0.64 0.00 -1.00 0.00 0.00 59.36 57.80 1a03 h GLU 41 Cb -0.05 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.17 1a03 h GLU 41 CO -0.04 0.41 2.91 -0.11 -1.00 0.00 0.00 179.01 181.18 1a03 n LEU 42 N -4.28 6.02 0.00 1.33 -0.00 0.98 -4.88 117.00 116.16 1a03 n LEU 42 Ca -0.00 -3.62 0.00 0.00 -0.00 0.00 0.00 56.01 52.39 1a03 n LEU 42 Cb 0.26 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.28 1a03 n LEU 42 CO 0.38 0.72 0.00 1.07 -0.00 0.00 0.00 177.39 179.56 1a03 n THR 43 N 5.05 0.00 -0.67 1.96 5.66 -1.26 -4.88 114.28 120.15 1a03 n THR 43 Ca 0.54 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.47 1a03 n THR 43 Cb 0.34 -1.80 -0.10 0.00 -1.55 0.00 0.00 70.33 67.22 1a03 n THR 43 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1a03 n ILE 44 N -0.48 2.10 -1.08 1.09 -5.35 -1.26 -4.70 119.36 109.68 1a03 n ILE 44 Ca 0.00 -0.95 -0.15 0.00 -0.27 0.00 0.00 62.75 61.39 1a03 n ILE 44 Cb 0.00 -1.75 -0.15 0.00 -1.74 0.00 0.00 39.64 36.00 1a03 n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a03 n GLY 45 N 2.35 3.22 0.22 3.28 0.00 -1.26 -4.55 105.19 108.44 1a03 n GLY 45 Ca 0.24 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 3.03 -0.51 -0.14 1.61 4.64 -1.97 0.12 113.55 120.34 1a03 h SER 46 Ca 0.23 0.07 -0.32 0.00 -0.47 0.00 0.00 61.79 61.30 1a03 h SER 46 Cb 1.38 0.21 0.04 0.00 -0.31 0.00 0.00 62.40 63.72 1a03 h SER 46 CO 0.35 -0.25 0.93 2.29 -0.87 0.00 0.00 176.83 179.29 1a03 n LYS 47 N -5.31 0.64 0.00 4.77 -0.00 -1.26 -4.58 118.16 112.42 1a03 n LYS 47 Ca -0.05 -1.74 0.00 0.00 -0.00 0.00 0.00 58.31 56.52 1a03 n LYS 47 Cb 0.22 -3.39 0.00 0.00 -0.00 0.00 0.00 35.03 31.86 1a03 n LYS 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1a03 n LEU 48 N 14.15 0.00 -0.31 -5.58 4.77 -1.23 -4.75 117.00 124.06 1a03 n LEU 48 Ca 0.45 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1a03 n LEU 48 Cb 0.45 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.72 1a03 n LEU 48 CO 0.83 0.00 0.76 1.56 -1.33 0.00 0.00 177.39 179.21 1a03 h GLN 49 N 0.00 0.03 -0.68 3.23 7.50 -1.77 0.32 115.11 123.75 1a03 h GLN 49 Ca 0.00 -0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 1a03 h GLN 49 Cb 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.49 1a03 h GLN 49 CO 0.00 0.02 0.19 -0.44 -1.50 0.00 0.00 178.83 177.10 1a03 h ASP 50 N 0.04 0.99 -0.90 1.46 3.32 -1.04 0.29 116.42 120.58 1a03 h ASP 50 Ca 0.48 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1a03 h ASP 50 Cb 0.85 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1a03 h ASP 50 CO -0.84 0.94 0.56 0.00 -1.72 0.00 0.00 179.24 178.18 1a03 h ALA 51 N 1.19 1.29 -0.47 3.45 0.00 -0.67 0.99 119.26 125.04 1a03 h ALA 51 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1a03 h ALA 51 Cb 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1a03 h ALA 51 CO -0.00 0.63 0.20 0.93 0.00 0.00 0.00 179.25 181.00 1a03 h GLU 52 N 1.24 0.66 -0.42 0.00 5.08 0.34 0.11 114.58 121.58 1a03 h GLU 52 Ca 0.33 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1a03 h GLU 52 Cb -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1a03 h GLU 52 CO -0.06 0.54 -0.02 0.82 -1.00 0.00 0.00 179.01 179.29 1a03 h ILE 53 N 0.66 1.26 -0.40 3.13 1.08 0.15 0.12 117.51 123.52 1a03 h ILE 53 Ca 0.16 -1.06 0.03 0.00 -0.39 0.00 0.00 64.86 63.61 1a03 h ILE 53 Cb 0.11 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1a03 h ILE 53 CO -0.02 0.36 0.20 0.58 -0.69 0.00 0.00 178.15 178.58 1a03 h VAL 54 N 0.59 0.98 -0.49 1.67 2.07 -0.48 0.89 116.25 121.49 1a03 h VAL 54 Ca 0.12 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1a03 h VAL 54 Cb 0.51 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1a03 h VAL 54 CO 0.02 0.08 0.21 0.50 0.02 0.00 0.00 177.57 178.40 1a03 h LYS 55 N 0.41 0.41 -0.08 1.57 3.64 -0.52 0.19 116.57 122.18 1a03 h LYS 55 Ca 0.17 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1a03 h LYS 55 Cb 0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1a03 h LYS 55 CO -0.11 0.27 -0.05 1.25 -2.27 0.00 0.00 179.45 178.54 1a03 h LEU 56 N 0.42 -0.16 -0.37 5.20 5.85 -0.24 0.12 115.31 126.13 1a03 h LEU 56 Ca 0.22 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1a03 h LEU 56 Cb 0.19 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1a03 h LEU 56 CO -0.19 -0.07 -0.09 -0.03 -0.34 0.00 0.00 178.44 177.71 1a03 h MET 57 N -0.05 0.00 0.21 1.25 4.05 -0.23 0.52 114.93 120.67 1a03 h MET 57 Ca 0.05 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1a03 h MET 57 Cb 0.13 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1a03 h MET 57 CO -0.12 0.00 -0.19 0.22 0.23 0.00 0.00 176.91 177.05 1a03 h ASP 58 N 0.00 -0.51 -0.58 1.39 3.58 -0.68 0.10 116.42 119.73 1a03 h ASP 58 Ca 0.18 0.05 0.11 0.00 0.42 0.00 0.00 57.03 57.79 1a03 h ASP 58 Cb 0.27 0.17 -0.09 0.00 1.72 0.00 0.00 39.33 41.40 1a03 h ASP 58 CO -0.38 -0.29 0.07 -0.78 -2.88 0.00 0.00 179.24 174.98 1a03 h ASP 59 N -0.42 -0.12 0.70 2.28 3.58 -0.12 0.24 116.42 122.55 1a03 h ASP 59 Ca -0.00 0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1a03 h ASP 59 Cb 0.39 0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.65 1a03 h ASP 59 CO -0.04 -0.04 -0.34 -0.07 -2.88 0.00 0.00 179.24 175.87 1a03 h LEU 60 N 0.19 -0.79 -0.91 2.28 3.38 -0.76 -3.30 115.31 115.39 1a03 h LEU 60 Ca 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1a03 h LEU 60 Cb 0.47 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1a03 h LEU 60 CO -0.44 -0.46 0.00 0.44 0.09 0.00 0.00 178.44 178.07 1a03 h ASP 61 N -1.14 0.00 0.00 -0.43 5.19 -0.20 -3.41 116.42 116.43 1a03 h ASP 61 Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1a03 h ASP 61 Cb 0.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1a03 h ASP 61 CO 0.16 0.00 0.00 -2.11 -3.12 0.00 0.00 179.24 174.17 1a03 n ARG 62 N -2.36 0.00 -0.93 3.56 1.85 0.79 -0.48 116.66 119.08 1a03 n ARG 62 Ca 0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.73 1a03 n ARG 62 Cb 0.21 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.59 1a03 n ARG 62 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1a03 n ASN 63 N -3.62 5.92 -3.01 2.89 5.15 -1.26 -4.67 115.26 116.66 1a03 n ASN 63 Ca 0.00 -2.80 -0.13 0.00 -0.60 0.00 0.00 54.58 51.05 1a03 n ASN 63 Cb 0.00 -1.19 -0.02 0.00 -0.53 0.00 0.00 39.78 38.05 1a03 n ASN 63 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1a03 n LYS 64 N 1.21 -2.54 -2.16 1.20 4.81 -0.14 -4.81 118.16 115.73 1a03 n LYS 64 Ca 0.29 0.19 -0.42 0.00 -0.87 0.00 0.00 58.31 57.49 1a03 n LYS 64 Cb 0.62 -4.76 0.00 0.00 0.02 0.00 0.00 35.03 30.92 1a03 n LYS 64 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1a03 n ASP 65 N -1.85 4.54 0.19 3.14 5.75 0.37 -4.70 116.55 123.99 1a03 n ASP 65 Ca -0.00 -2.95 0.18 0.00 -0.01 0.00 0.00 54.79 52.01 1a03 n ASP 65 Cb 0.51 -1.60 0.79 0.00 -1.03 0.00 0.00 41.12 39.79 1a03 n ASP 65 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1a03 h GLN 66 N 6.23 0.00 -4.34 0.11 -0.00 -1.87 -3.12 115.11 112.12 1a03 h GLN 66 Ca 0.47 0.00 -0.73 0.00 -0.00 0.00 0.00 58.65 58.39 1a03 h GLN 66 Cb 0.69 0.00 -0.26 0.00 -0.00 0.00 0.00 27.48 27.91 1a03 h GLN 66 CO 1.69 0.00 -0.38 -1.83 -0.00 0.00 0.00 178.83 178.30 1a03 s GLU 67 N -4.45 2.75 -0.09 0.06 -1.05 -1.26 -0.28 118.70 114.38 1a03 s GLU 67 Ca -0.04 -1.50 -0.18 0.00 -0.15 0.00 0.00 54.97 53.10 1a03 s GLU 67 Cb 0.13 -3.97 -0.04 0.00 -0.44 0.00 0.00 34.13 29.81 1a03 s GLU 67 CO 0.46 -1.05 0.50 0.08 0.95 0.00 0.00 175.26 176.20 1a03 s VAL 68 N 1.51 5.13 0.01 1.83 1.01 0.73 -4.94 120.40 125.67 1a03 s VAL 68 Ca 0.04 1.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 1a03 s VAL 68 Cb -0.25 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1a03 s VAL 68 CO 0.03 0.36 0.45 0.21 0.00 0.00 0.00 175.10 176.15 1a03 s ASN 69 N 0.38 6.86 0.44 3.32 3.84 -1.26 -0.68 114.94 127.84 1a03 s ASN 69 Ca 0.27 1.02 0.33 0.00 0.21 0.00 0.00 52.86 54.69 1a03 s ASN 69 Cb -0.16 -2.28 1.48 0.00 -0.55 0.00 0.00 41.25 39.74 1a03 s ASN 69 CO 0.12 0.28 1.53 0.33 -2.79 0.00 0.00 177.10 176.57 1a03 n PHE 70 N 1.96 0.64 -0.34 0.43 7.35 -1.26 0.03 117.46 126.27 1a03 n PHE 70 Ca -0.12 0.65 0.14 0.00 -0.76 0.00 0.00 57.45 57.36 1a03 n PHE 70 Cb 0.52 -1.08 0.36 0.00 0.35 0.00 0.00 39.48 39.62 1a03 n PHE 70 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1a03 h GLN 71 N 0.00 0.67 -0.39 -4.13 4.20 -1.97 0.12 115.11 113.62 1a03 h GLN 71 Ca 0.87 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 59.44 1a03 h GLN 71 Cb 2.85 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 30.46 1a03 h GLN 71 CO -0.43 0.45 -0.17 0.93 -0.67 0.00 0.00 178.83 178.94 1a03 h GLU 72 N 0.69 0.73 -0.53 1.46 3.07 -0.77 0.11 114.58 119.35 1a03 h GLU 72 Ca 0.57 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1a03 h GLU 72 Cb 0.98 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.82 1a03 h GLU 72 CO -0.35 0.86 0.32 -0.92 -1.40 0.00 0.00 179.01 177.51 1a03 h TYR 73 N 0.65 0.69 -0.42 4.33 3.20 -0.90 0.12 116.97 124.65 1a03 h TYR 73 Ca 0.10 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.02 1a03 h TYR 73 Cb 0.65 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1a03 h TYR 73 CO 0.03 0.48 0.15 0.82 -1.64 0.00 0.00 178.16 178.00 1a03 h ILE 74 N 0.71 0.87 -0.38 1.81 5.03 -0.66 0.15 117.51 125.03 1a03 h ILE 74 Ca 0.19 -0.11 0.05 0.00 -0.12 0.00 0.00 64.86 64.87 1a03 h ILE 74 Cb -0.01 0.53 -0.04 0.00 -3.03 0.00 0.00 36.82 34.26 1a03 h ILE 74 CO -0.04 0.06 0.12 0.74 -0.68 0.00 0.00 178.15 178.35 1a03 h THR 75 N 0.31 0.86 -0.29 -0.27 2.02 0.15 0.12 112.91 115.81 1a03 h THR 75 Ca 0.20 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.35 1a03 h THR 75 Cb 0.19 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.10 1a03 h THR 75 CO -0.20 0.05 -0.21 0.15 0.37 0.00 0.00 175.52 175.68 1a03 h PHE 76 N 0.26 -0.53 0.03 3.16 3.57 -0.44 0.94 116.94 123.93 1a03 h PHE 76 Ca 0.18 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1a03 h PHE 76 Cb 0.17 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1a03 h PHE 76 CO -0.16 -0.28 -0.15 1.25 -2.23 0.00 0.00 178.31 176.73 1a03 h LEU 77 N -0.18 -0.44 -0.10 0.59 5.85 0.17 0.08 115.31 121.28 1a03 h LEU 77 Ca 0.15 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1a03 h LEU 77 Cb 0.42 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1a03 h LEU 77 CO -0.40 -0.22 -0.34 1.23 -0.34 0.00 0.00 178.44 178.37 1a03 h GLY 78 N -0.27 -0.51 0.73 3.75 0.00 -0.48 -0.01 103.07 106.28 1a03 h GLY 78 Ca 0.04 0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1a03 h GLY 78 CO -0.13 -0.23 -0.31 0.00 0.00 0.00 0.00 176.54 175.87 1a03 h ALA 79 N 0.32 -0.70 -0.94 3.60 0.00 -0.49 0.16 119.26 121.20 1a03 h ALA 79 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a03 h ALA 79 Cb 0.57 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1a03 h ALA 79 CO -0.34 -0.92 0.61 -0.07 0.00 0.00 0.00 179.25 178.52 1a03 h LEU 80 N -0.69 1.10 0.38 0.00 -0.00 -0.83 -0.07 115.31 115.20 1a03 h LEU 80 Ca -0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.79 1a03 h LEU 80 Cb 0.61 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1a03 h LEU 80 CO -0.02 0.81 -0.18 0.00 -0.00 0.00 0.00 178.44 179.05 1a03 h ALA 81 N 1.39 -0.51 -0.73 1.53 0.00 -0.85 -3.31 119.26 116.78 1a03 h ALA 81 Ca 0.34 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1a03 h ALA 81 Cb -0.12 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1a03 h ALA 81 CO -0.07 -0.63 0.37 1.98 0.00 0.00 0.00 179.25 180.90 1a03 h MET 82 N -0.84 0.61 0.00 0.00 1.85 -0.22 -0.03 114.93 116.30 1a03 h MET 82 Ca -0.05 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1a03 h MET 82 Cb 0.54 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 32.43 1a03 h MET 82 CO 0.09 0.41 -0.02 0.97 -0.40 0.00 0.00 176.91 177.96 1a03 h ILE 83 N 0.63 0.52 0.00 1.77 6.09 -1.13 -2.55 117.51 122.84 1a03 h ILE 83 Ca 0.36 -0.07 -0.32 0.00 -1.37 0.00 0.00 64.86 63.46 1a03 h ILE 83 Cb 0.36 1.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.66 1a03 h ILE 83 CO -0.26 0.01 1.05 -1.22 -3.07 0.00 0.00 178.15 174.66 1a03 n TYR 84 N -3.80 0.75 -0.21 2.19 4.01 -0.03 -4.70 117.16 115.37 1a03 n TYR 84 Ca -0.03 -1.86 0.02 0.00 -0.16 0.00 0.00 57.90 55.87 1a03 n TYR 84 Cb 0.10 -1.76 0.11 0.00 -0.31 0.00 0.00 39.34 37.48 1a03 n TYR 84 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 1a03 h ASN 85 N 4.01 -0.23 -0.67 7.72 -1.24 -1.65 0.80 115.58 124.31 1a03 h ASN 85 Ca 0.38 0.15 -0.03 0.00 0.71 0.00 0.00 56.30 57.52 1a03 h ASN 85 Cb 0.98 0.26 -0.03 0.00 0.73 0.00 0.00 38.32 40.26 1a03 h ASN 85 CO 0.76 -0.10 0.30 -0.33 -1.29 0.00 0.00 177.43 176.76 1a03 h GLU 86 N 0.14 0.99 -0.43 6.67 3.07 -1.89 0.81 114.58 123.94 1a03 h GLU 86 Ca 0.34 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.93 1a03 h GLU 86 Cb 0.55 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1a03 h GLU 86 CO -0.53 0.80 -0.14 0.00 -1.40 0.00 0.00 179.01 177.74 1a03 h ALA 87 N 1.13 0.59 0.58 3.43 0.00 -1.30 0.20 119.26 123.91 1a03 h ALA 87 Ca 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1a03 h ALA 87 Cb 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1a03 h ALA 87 CO -0.02 0.51 -0.28 1.25 0.00 0.00 0.00 179.25 180.70 1a03 h LEU 88 N 0.67 -0.67 0.02 0.00 6.46 -0.60 -3.31 115.31 117.89 1a03 h LEU 88 Ca 0.10 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.64 1a03 h LEU 88 Cb 0.69 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 1a03 h LEU 88 CO 0.05 -0.44 -1.07 0.11 -0.62 0.00 0.00 178.44 176.47 1a03 h LYS 89 N -0.84 0.04 0.00 1.25 1.57 -0.87 -3.51 116.57 114.21 1a03 h LYS 89 Ca -0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1a03 h LYS 89 Cb 0.62 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1a03 h LYS 89 CO 0.13 1.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.42