#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a45 n ALA 27 N 0.00 0.00 -1.89 -0.43 0.00 -1.26 -5.20 120.51 111.74 2a45 n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2a45 n ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2a45 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a45 n LYS 29 N 0.00 0.00 -3.48 0.00 3.00 -1.26 -1.57 118.16 114.86 2a45 n LYS 29 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2a45 n LYS 29 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 2a45 n LYS 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2a45 n ASP 30 N 0.00 -0.46 0.00 3.14 9.92 -1.26 -4.39 116.55 123.50 2a45 n ASP 30 Ca 0.00 -0.78 0.00 0.00 -0.53 0.00 0.00 54.79 53.48 2a45 n ASP 30 Cb 0.00 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 2a45 n ASP 30 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2a45 n SER 31 N -1.39 0.00 -2.72 -2.24 7.64 -0.61 -4.15 113.62 110.15 2a45 n SER 31 Ca -0.03 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.79 2a45 n SER 31 Cb 0.34 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.59 2a45 n SER 31 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2a45 n ASP 32 N 2.72 0.91 -4.93 6.43 5.75 -1.26 -5.07 116.55 121.10 2a45 n ASP 32 Ca 0.00 -2.42 -0.26 0.00 -0.01 0.00 0.00 54.79 52.10 2a45 n ASP 32 Cb 0.00 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 39.81 2a45 n ASP 32 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2a45 s TRP 33 N -2.75 3.50 0.45 2.11 0.23 -1.26 -5.11 118.94 116.10 2a45 s TRP 33 Ca 0.25 0.48 0.04 0.00 -2.03 0.00 0.00 56.10 54.84 2a45 s TRP 33 Cb 0.41 -1.99 0.01 0.00 0.03 0.00 0.00 33.47 31.93 2a45 s TRP 33 CO -0.01 0.13 0.63 -1.25 0.96 0.00 0.00 176.95 177.41 2a45 s PRO 34 N -4.03 2.84 1.22 4.98 0.04 -1.26 -5.11 135.00 133.69 2a45 s PRO 34 Ca 0.42 -0.91 -0.18 0.00 0.04 0.00 0.00 61.00 60.37 2a45 s PRO 34 Cb -0.10 -2.65 0.29 0.00 0.04 0.00 0.00 34.50 32.08 2a45 s PRO 34 CO 0.34 -0.34 1.04 0.12 0.04 0.00 0.00 177.00 178.21 2a45 s PHE 35 N -2.48 0.62 -0.06 0.56 5.36 -1.26 -5.03 117.98 115.70 2a45 s PHE 35 Ca 0.52 0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 57.19 2a45 s PHE 35 Cb -0.10 -3.21 -0.04 0.00 -0.34 0.00 0.00 43.02 39.34 2a45 s PHE 35 CO 0.35 -4.03 0.04 0.00 -1.46 0.00 0.00 175.22 170.12 2a45 s SER 37 N -1.21 6.32 0.35 0.00 0.15 -1.26 -4.99 113.70 113.06 2a45 s SER 37 Ca 0.17 0.39 0.06 0.00 0.70 0.00 0.00 55.95 57.27 2a45 s SER 37 Cb -0.12 -2.00 0.74 0.00 -1.71 0.00 0.00 66.02 62.93 2a45 s SER 37 CO 0.07 -0.22 1.92 0.44 1.20 0.00 0.00 173.24 176.65 2a45 h ASP 38 N 1.02 0.69 0.26 5.45 3.45 -1.99 -0.65 116.42 124.66 2a45 h ASP 38 Ca -0.50 0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.98 2a45 h ASP 38 Cb 1.22 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 2a45 h ASP 38 CO 0.62 0.42 -0.28 -0.33 -1.57 0.00 0.00 179.24 178.10 2a45 h GLU 39 N 0.77 -0.56 -0.65 3.56 5.08 -2.05 -3.01 114.58 117.73 2a45 h GLU 39 Ca 0.37 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.94 2a45 h GLU 39 Cb 0.42 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.67 2a45 h GLU 39 CO -0.14 -0.37 -0.00 -0.25 -1.00 0.00 0.00 179.01 177.24 2a45 n ASP 40 N -5.40 -0.09 -4.45 1.42 10.43 -0.25 -4.51 116.55 113.70 2a45 n ASP 40 Ca -0.09 1.10 -0.50 0.00 2.57 0.00 0.00 54.79 57.88 2a45 n ASP 40 Cb 0.30 -0.40 -0.04 0.00 1.84 0.00 0.00 41.12 42.83 2a45 n ASP 40 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 2a45 n TRP 41 N -4.87 0.04 -0.46 1.24 -0.00 -1.14 0.65 117.44 112.89 2a45 n TRP 41 Ca 0.15 0.94 0.00 0.00 -0.00 0.00 0.00 57.50 58.58 2a45 n TRP 41 Cb 0.49 -2.04 0.00 0.00 -0.00 0.00 0.00 31.31 29.76 2a45 n TRP 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2a45 n ASN 42 N 1.83 0.00 -0.28 5.87 4.13 -1.26 -4.64 115.26 120.91 2a45 n ASN 42 Ca 0.17 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.45 2a45 n ASN 42 Cb 0.23 -0.23 0.03 0.00 -1.54 0.00 0.00 39.78 38.26 2a45 n ASN 42 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2a45 n TYR 43 N -2.00 0.00 -3.15 3.10 4.01 0.21 -4.95 117.16 114.38 2a45 n TYR 43 Ca 0.00 -0.23 0.06 0.00 -0.16 0.00 0.00 57.90 57.57 2a45 n TYR 43 Cb 0.00 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 38.96 2a45 n TYR 43 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2a45 s LYS 44 N -0.63 0.08 0.29 -0.72 1.02 -0.92 -5.00 119.74 113.85 2a45 s LYS 44 Ca 0.06 0.12 0.10 0.00 0.02 0.00 0.00 55.97 56.28 2a45 s LYS 44 Cb 0.05 0.07 -0.05 0.00 -0.52 0.00 0.00 37.83 37.38 2a45 s LYS 44 CO 0.01 -0.09 -0.07 0.00 -0.92 0.00 0.00 175.35 174.27 2a45 n PRO 46 N -0.82 -1.02 -3.36 0.00 -0.02 -1.26 -4.90 135.00 123.62 2a45 n PRO 46 Ca -0.05 -0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 60.70 2a45 n PRO 46 Cb 0.60 -1.19 -0.09 0.00 -0.02 0.00 0.00 33.50 32.80 2a45 n PRO 46 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2a45 s SER 47 N -1.43 6.17 0.03 2.55 0.01 -1.26 -4.98 113.70 114.79 2a45 s SER 47 Ca 0.15 -0.66 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 2a45 s SER 47 Cb -0.02 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 2a45 s SER 47 CO 0.14 -0.52 0.42 0.61 0.41 0.00 0.00 173.24 174.30 2a45 n GLY 48 N 5.10 -0.91 0.22 3.44 0.00 -1.26 0.53 105.19 112.31 2a45 n GLY 48 Ca -0.08 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 2a45 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a45 h ARG 50 N 0.00 -0.54 -0.70 0.00 9.65 -0.33 -2.71 114.38 119.75 2a45 h ARG 50 Ca 0.08 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.06 2a45 h ARG 50 Cb 0.21 0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 28.83 2a45 h ARG 50 CO -0.49 -0.36 -0.41 -1.33 2.80 0.00 0.00 179.97 180.18 2a45 n MET 51 N -5.42 -0.31 -0.06 0.20 2.81 -0.66 -0.33 117.12 113.35 2a45 n MET 51 Ca -0.06 1.33 -0.02 0.00 -1.81 0.00 0.00 57.70 57.14 2a45 n MET 51 Cb 0.37 -1.96 -0.02 0.00 -0.71 0.00 0.00 33.22 30.90 2a45 n MET 51 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2a45 h LYS 52 N 0.00 -0.01 -0.57 0.03 1.63 -1.23 0.59 116.57 117.01 2a45 h LYS 52 Ca 0.11 0.00 0.22 0.00 -0.85 0.00 0.00 60.65 60.14 2a45 h LYS 52 Cb 0.29 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.82 2a45 h LYS 52 CO -0.66 -0.00 0.24 0.41 -3.45 0.00 0.00 179.45 175.99 2a45 n GLY 53 N -1.04 -0.51 0.09 5.01 0.00 0.56 0.34 105.19 109.63 2a45 n GLY 53 Ca 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 2a45 n GLY 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2a45 h LEU 54 N 0.00 -0.06 -0.82 0.99 3.38 0.20 -0.84 115.31 118.15 2a45 h LEU 54 Ca 0.46 -0.58 0.20 0.00 0.09 0.00 0.00 57.88 58.05 2a45 h LEU 54 Cb 1.16 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2a45 h LEU 54 CO -0.46 0.63 0.11 0.40 0.09 0.00 0.00 178.44 179.21 2a45 h ILE 55 N -0.84 0.31 0.51 1.22 2.04 1.08 0.17 117.51 122.01 2a45 h ILE 55 Ca -0.01 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2a45 h ILE 55 Cb 0.64 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2a45 h ILE 55 CO 0.01 0.03 -0.25 0.44 0.00 0.00 0.00 178.15 178.38 2a45 h ASP 56 N 0.15 -0.58 -0.95 1.72 3.45 0.12 -3.23 116.42 117.11 2a45 h ASP 56 Ca 0.48 0.02 0.20 0.00 0.43 0.00 0.00 57.03 58.16 2a45 h ASP 56 Cb 0.92 0.15 -0.18 0.00 -0.56 0.00 0.00 39.33 39.66 2a45 h ASP 56 CO -0.67 -0.33 -0.21 -0.08 -1.57 0.00 0.00 179.24 176.38 2a45 h GLU 57 N -0.86 0.00 0.10 3.56 4.81 0.04 -1.45 114.58 120.77 2a45 h GLU 57 Ca -0.07 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2a45 h GLU 57 Cb 0.53 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2a45 h GLU 57 CO 0.12 0.00 -0.48 0.28 -0.73 0.00 0.00 179.01 178.19 2a45 h VAL 58 N 0.00 0.00 -0.49 0.32 2.07 -0.79 -2.83 116.25 114.53 2a45 h VAL 58 Ca 0.46 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.08 2a45 h VAL 58 Cb 0.73 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 2a45 h VAL 58 CO -0.97 0.00 -0.32 -1.13 0.02 0.00 0.00 177.57 175.17 2a45 h ASN 59 N -0.68 -1.09 -0.21 0.57 -0.73 -1.29 -1.38 115.58 110.76 2a45 h ASN 59 Ca -0.00 0.21 0.04 0.00 1.87 0.00 0.00 56.30 58.41 2a45 h ASN 59 Cb 0.69 0.53 -0.07 0.00 0.27 0.00 0.00 38.32 39.74 2a45 h ASN 59 CO -0.27 -0.31 -0.52 -0.61 -0.37 0.00 0.00 177.43 175.35 2a45 h GLN 60 N -0.20 -0.50 -0.90 6.67 -0.00 -1.33 0.64 115.11 119.50 2a45 h GLN 60 Ca 0.20 0.03 0.14 0.00 -0.00 0.00 0.00 58.65 59.03 2a45 h GLN 60 Cb 0.54 0.11 -0.09 0.00 0.00 0.00 0.00 27.48 28.04 2a45 h GLN 60 CO -0.60 -0.33 0.51 -0.44 0.00 0.00 0.00 178.83 177.97 2a45 h ASP 61 N -0.51 0.67 0.20 -0.69 5.19 -1.25 0.52 116.42 120.55 2a45 h ASP 61 Ca 0.06 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.51 2a45 h ASP 61 Cb 0.65 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.11 2a45 h ASP 61 CO -0.48 0.31 -0.14 -0.26 -3.12 0.00 0.00 179.24 175.55 2a45 h PHE 62 N 0.75 0.00 0.00 4.55 0.05 0.57 -1.30 116.94 121.56 2a45 h PHE 62 Ca 0.48 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.27 2a45 h PHE 62 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.57 2a45 h PHE 62 CO -0.05 0.14 -0.27 1.79 -0.18 0.00 0.00 178.31 179.74 2a45 h THR 63 N 0.00 0.00 -0.87 -1.55 1.35 0.47 -2.69 112.91 109.63 2a45 h THR 63 Ca -0.00 -0.77 0.23 0.00 -0.55 0.00 0.00 66.41 65.32 2a45 h THR 63 Cb 0.28 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.55 2a45 h THR 63 CO 0.02 0.00 0.11 -0.55 -0.25 0.00 0.00 175.52 174.85 2a45 h ASN 64 N -0.77 -0.23 0.36 5.36 7.08 -0.65 5.00 115.58 131.74 2a45 h ASN 64 Ca 0.00 0.22 -0.02 0.00 -3.08 0.00 0.00 56.30 53.42 2a45 h ASN 64 Cb 0.27 0.35 -0.00 0.00 -2.08 0.00 0.00 38.32 36.85 2a45 h ASN 64 CO 0.00 -0.22 -0.10 0.03 -2.08 0.00 0.00 177.43 175.06 2a45 h ARG 65 N 0.12 0.00 0.01 4.14 3.08 -1.39 0.80 114.38 121.14 2a45 h ARG 65 Ca 0.53 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.53 2a45 h ARG 65 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2a45 h ARG 65 CO -0.73 0.10 -0.21 0.82 -1.07 0.00 0.00 179.97 178.88 2a45 h ILE 66 N 0.00 1.62 -0.76 2.04 1.08 0.96 -2.34 117.51 120.10 2a45 h ILE 66 Ca -0.00 -2.09 0.17 0.00 -0.39 0.00 0.00 64.86 62.55 2a45 h ILE 66 Cb 0.31 2.98 -0.12 0.00 -3.07 0.00 0.00 36.82 36.92 2a45 h ILE 66 CO 0.01 0.56 0.16 0.78 -0.69 0.00 0.00 178.15 178.98 2a45 h ASN 67 N -0.65 -0.04 -0.02 1.72 2.35 0.33 0.53 115.58 119.80 2a45 h ASN 67 Ca -0.03 0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2a45 h ASN 67 Cb 1.04 0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.58 2a45 h ASN 67 CO 0.04 -0.07 -0.40 0.11 -1.65 0.00 0.00 177.43 175.45 2a45 h LYS 68 N 0.24 -0.53 0.17 0.81 6.56 0.65 0.44 116.57 124.91 2a45 h LYS 68 Ca 0.43 0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 60.05 2a45 h LYS 68 Cb 0.77 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 2a45 h LYS 68 CO -0.55 -0.35 -0.08 -0.07 -2.06 0.00 0.00 179.45 176.34 2a45 h LEU 69 N -0.55 -0.19 -0.45 2.94 3.38 -0.58 0.61 115.31 120.47 2a45 h LEU 69 Ca 0.05 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.97 2a45 h LEU 69 Cb 0.64 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 2a45 h LEU 69 CO -0.32 0.02 -0.00 0.11 0.09 0.00 0.00 178.44 178.34 2a45 h LYS 70 N -0.40 0.10 0.01 1.13 1.57 -0.83 -1.87 116.57 116.28 2a45 h LYS 70 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2a45 h LYS 70 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2a45 h LYS 70 CO 0.04 0.07 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.07 2a45 h ASN 71 N 0.11 -0.01 0.16 0.86 2.35 0.06 -3.05 115.58 116.05 2a45 h ASN 71 Ca 0.22 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2a45 h ASN 71 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2a45 h ASN 71 CO -0.38 0.57 0.00 -1.54 -1.65 0.00 0.00 177.43 174.44 2a45 n SER 72 N -4.82 0.00 0.00 5.81 3.41 0.21 -5.07 113.62 113.16 2a45 n SER 72 Ca -0.09 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2a45 n SER 72 Cb 0.29 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2a45 n SER 72 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06