#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bic s ASP 2 N 0.00 2.30 0.05 -1.84 -1.08 -1.26 -5.12 116.67 109.72 2bic s ASP 2 Ca 0.00 -1.80 -0.30 0.00 -0.52 0.00 0.00 52.55 49.93 2bic s ASP 2 Cb 0.00 0.00 -0.08 0.00 -1.46 0.00 0.00 42.92 41.38 2bic s ASP 2 CO 0.00 -0.31 1.74 -2.84 0.52 0.00 0.00 175.17 174.28 2bic s PRO 3 N 1.37 4.17 -0.40 4.34 0.02 -1.26 -4.94 135.00 138.30 2bic s PRO 3 Ca 0.16 2.40 -0.27 0.00 0.02 0.00 0.00 61.00 63.31 2bic s PRO 3 Cb -0.19 -3.77 0.02 0.00 0.02 0.00 0.00 34.50 30.57 2bic s PRO 3 CO -0.06 -0.81 0.99 -1.17 -0.33 0.00 0.00 177.00 175.61 2bic s LEU 4 N 3.26 3.92 -0.22 -5.54 0.20 -1.26 -4.98 118.68 114.06 2bic s LEU 4 Ca 0.78 0.54 -0.29 0.00 0.69 0.00 0.00 54.13 55.85 2bic s LEU 4 Cb -0.40 -3.35 0.01 0.00 -0.43 0.00 0.00 46.19 42.02 2bic s LEU 4 CO 0.34 -0.97 1.05 -0.31 -0.29 0.00 0.00 176.35 176.16 2bic s TYR 5 N 3.74 3.34 -0.43 5.38 2.02 -1.26 -4.68 117.35 125.45 2bic s TYR 5 Ca 0.41 1.46 -0.28 0.00 -0.37 0.00 0.00 57.07 58.29 2bic s TYR 5 Cb -0.11 -3.27 0.02 0.00 -0.40 0.00 0.00 41.96 38.21 2bic s TYR 5 CO 0.22 -0.51 1.05 0.00 -1.57 0.00 0.00 175.55 174.74 2bic n GLN 7 N 7.38 3.75 -2.70 0.00 7.27 -1.26 -4.93 117.38 126.89 2bic n GLN 7 Ca 0.10 -3.90 -0.23 0.00 0.07 0.00 0.00 57.00 53.04 2bic n GLN 7 Cb 0.48 -2.83 0.03 0.00 2.41 0.00 0.00 30.24 30.33 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bic s ALA 8 N -0.19 3.69 0.20 1.69 0.00 -1.26 -5.02 121.76 120.86 2bic s ALA 8 Ca 0.38 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 2bic s ALA 8 Cb 0.04 -2.22 0.13 0.00 0.00 0.00 0.00 23.12 21.06 2bic s ALA 8 CO 0.02 -0.66 1.60 0.97 0.00 0.00 0.00 175.76 177.69 2bic h ILE 9 N 0.11 1.27 -0.14 0.00 6.09 -1.97 -3.10 117.51 119.76 2bic h ILE 9 Ca -0.44 -1.38 0.00 0.00 -1.37 0.00 0.00 64.86 61.67 2bic h ILE 9 Cb 1.27 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.78 2bic h ILE 9 CO 0.56 0.46 0.00 0.61 -3.07 0.00 0.00 178.15 176.71 2bic n GLY 10 N -0.17 0.52 3.92 8.18 0.00 -1.26 -4.95 105.19 111.43 2bic n GLY 10 Ca -0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2bic n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bic s PRO 12 N -3.54 -1.43 0.70 0.00 0.02 -1.26 -4.82 135.00 124.66 2bic s PRO 12 Ca 0.41 0.11 -0.12 0.00 0.02 0.00 0.00 61.00 61.42 2bic s PRO 12 Cb -0.11 -1.56 0.01 0.00 0.02 0.00 0.00 34.50 32.87 2bic s PRO 12 CO 0.30 -3.89 1.08 -0.08 -0.33 0.00 0.00 177.00 174.08 2bic s THR 13 N -2.79 3.68 0.20 0.99 -1.32 -1.26 -4.74 115.64 110.39 2bic s THR 13 Ca 0.70 0.61 -0.11 0.00 -1.21 0.00 0.00 61.69 61.68 2bic s THR 13 Cb -0.13 -3.21 0.13 0.00 -1.51 0.00 0.00 72.50 67.78 2bic s THR 13 CO 0.57 -0.64 1.83 -0.07 -2.21 0.00 0.00 174.62 174.10 2bic h LEU 14 N -0.56 0.85 -1.13 9.08 -0.00 -1.97 -3.00 115.31 118.58 2bic h LEU 14 Ca -0.45 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 57.29 2bic h LEU 14 Cb 1.22 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 2bic h LEU 14 CO 0.55 0.68 -0.35 1.88 -0.00 0.00 0.00 178.44 181.19 2bic h TYR 15 N 0.96 0.00 -4.05 1.13 0.05 -2.01 -3.42 116.97 109.64 2bic h TYR 15 Ca 0.25 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.55 2bic h TYR 15 Cb -0.01 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.76 2bic h TYR 15 CO -0.01 0.35 0.40 -1.54 -1.05 0.00 0.00 178.16 176.31 2bic s SER 16 N -6.51 6.39 0.56 3.88 1.04 -1.13 -4.94 113.70 112.98 2bic s SER 16 Ca -0.01 1.98 0.36 0.00 0.48 0.00 0.00 55.95 58.76 2bic s SER 16 Cb 0.12 -2.57 1.64 0.00 0.10 0.00 0.00 66.02 65.31 2bic s SER 16 CO 0.68 -0.75 2.07 1.05 0.98 0.00 0.00 173.24 177.27 2bic h GLU 17 N 1.77 0.00 -0.63 4.02 4.11 -1.86 -2.95 114.58 119.03 2bic h GLU 17 Ca -0.49 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.85 2bic h GLU 17 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2bic h GLU 17 CO 0.60 0.00 0.04 0.00 0.07 0.00 0.00 179.01 179.71 2bic h ALA 18 N 2.02 0.87 -0.31 1.06 0.00 -1.90 -1.95 119.26 119.05 2bic h ALA 18 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2bic h ALA 18 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2bic h ALA 18 CO 0.00 0.67 -0.34 -0.97 0.00 0.00 0.00 179.25 178.62 2bic h ASN 19 N 1.00 0.71 -0.66 0.00 -0.73 -1.70 -2.85 115.58 111.35 2bic h ASN 19 Ca 0.18 -0.29 -0.02 0.00 1.87 0.00 0.00 56.30 58.04 2bic h ASN 19 Cb 0.52 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.88 2bic h ASN 19 CO 0.02 0.99 0.32 -0.07 -0.37 0.00 0.00 177.43 178.32 2bic h LEU 20 N 0.57 0.87 -0.19 0.34 3.38 -1.50 -2.03 115.31 116.76 2bic h LEU 20 Ca 0.06 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2bic h LEU 20 Cb 0.85 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2bic h LEU 20 CO 0.07 0.76 -0.09 0.00 0.09 0.00 0.00 178.44 179.27 2bic h ALA 21 N 1.15 0.26 0.00 1.53 0.00 -1.36 -3.23 119.26 117.61 2bic h ALA 21 Ca 0.23 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2bic h ALA 21 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bic h ALA 21 CO -0.03 0.09 -0.41 -0.24 0.00 0.00 0.00 179.25 178.65 2bic h VAL 22 N 0.08 1.25 0.00 0.00 3.04 -1.48 -2.86 116.25 116.28 2bic h VAL 22 Ca 0.04 -1.44 -0.04 0.00 -1.01 0.00 0.00 66.70 64.25 2bic h VAL 22 Cb 0.57 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 2bic h VAL 22 CO 0.03 0.41 -0.21 0.77 -1.01 0.00 0.00 177.57 177.56 2bic h SER 23 N 0.00 0.00 -0.50 3.17 4.64 -1.38 -2.35 113.55 117.13 2bic h SER 23 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2bic h SER 23 Cb 0.75 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 2bic h SER 23 CO 0.05 0.21 0.00 0.50 -0.87 0.00 0.00 176.83 176.72 2bic h LYS 24 N 0.00 0.88 -0.38 4.77 1.63 -1.52 0.23 116.57 122.19 2bic h LYS 24 Ca -0.00 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.48 2bic h LYS 24 Cb 0.37 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2bic h LYS 24 CO 0.03 0.92 0.11 1.49 -3.45 0.00 0.00 179.45 178.54 2bic h GLU 25 N 0.75 0.60 -0.08 1.90 4.57 -1.56 -2.58 114.58 118.18 2bic h GLU 25 Ca 0.14 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2bic h GLU 25 Cb 0.52 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2bic h GLU 25 CO 0.03 0.62 -0.22 0.00 -1.18 0.00 0.00 179.01 178.25 2bic h ARG 27 N 0.12 1.04 -0.48 0.00 9.65 -0.69 -2.82 114.38 121.19 2bic h ARG 27 Ca 0.02 -0.19 -0.07 0.00 -1.10 0.00 0.00 59.98 58.65 2bic h ARG 27 Cb 0.47 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 2bic h ARG 27 CO 0.03 0.86 0.02 -0.44 2.80 0.00 0.00 179.97 183.24 2bic h ASP 28 N 0.99 0.74 -3.30 -3.80 5.19 -1.25 -3.42 116.42 111.57 2bic h ASP 28 Ca 0.23 -0.17 -0.56 0.00 -0.62 0.00 0.00 57.03 55.91 2bic h ASP 28 Cb 0.20 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 2bic h ASP 28 CO -0.02 0.80 0.44 -1.10 -3.12 0.00 0.00 179.24 176.24 2bic s GLN 29 N -5.02 4.41 2.66 3.56 -0.21 -1.05 -4.78 119.66 119.24 2bic s GLN 29 Ca -0.09 1.25 0.00 0.00 0.02 0.00 0.00 55.36 56.53 2bic s GLN 29 Cb 0.15 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.63 2bic s GLN 29 CO 0.81 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 174.15 2bic n GLY 30 N 3.16 1.02 1.72 3.09 0.00 -1.26 -4.68 105.19 108.24 2bic n GLY 30 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2bic n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bic n LYS 31 N 4.67 0.00 0.03 1.61 4.81 -1.26 -5.07 118.16 122.94 2bic n LYS 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2bic n LYS 31 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2bic n LYS 31 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2bic n LEU 32 N -2.56 0.01 -3.00 3.14 7.94 -1.26 -5.00 117.00 116.27 2bic n LEU 32 Ca 0.00 0.11 -0.15 0.00 -1.11 0.00 0.00 56.01 54.86 2bic n LEU 32 Cb 0.00 0.07 0.01 0.00 0.53 0.00 0.00 43.42 44.03 2bic n LEU 32 CO 0.00 -0.50 -0.01 0.61 -1.11 0.00 0.00 177.39 176.37 2bic n GLY 33 N 1.78 2.17 2.07 -3.96 0.00 -1.26 -4.93 105.19 101.07 2bic n GLY 33 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 2bic n GLY 33 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bic n ASP 34 N 0.60 -0.88 0.10 1.61 5.68 -1.26 -4.97 116.55 117.43 2bic n ASP 34 Ca 0.17 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 2bic n ASP 34 Cb 0.65 0.39 0.00 0.00 -1.14 0.00 0.00 41.12 41.02 2bic n ASP 34 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2bic n ASP 35 N -0.83 -1.85 -0.24 -1.12 -0.08 -1.26 -4.87 116.55 106.29 2bic n ASP 35 Ca -0.17 0.41 0.19 0.00 -1.51 0.00 0.00 54.79 53.70 2bic n ASP 35 Cb 0.83 1.99 0.35 0.00 2.34 0.00 0.00 41.12 46.63 2bic n ASP 35 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2bic n PHE 36 N -2.91 0.71 0.36 -0.67 3.72 -1.26 -0.83 117.46 116.59 2bic n PHE 36 Ca 0.00 0.86 -0.17 0.00 -0.05 0.00 0.00 57.45 58.09 2bic n PHE 36 Cb 0.00 -1.20 -0.08 0.00 -0.94 0.00 0.00 39.48 37.26 2bic n PHE 36 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2bic h HIS 37 N 0.00 -0.86 -0.15 1.38 2.76 -1.97 -2.80 115.15 113.51 2bic h HIS 37 Ca 0.55 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.70 2bic h HIS 37 Cb 1.38 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 2bic h HIS 37 CO -0.13 -0.50 0.06 0.07 -1.30 0.00 0.00 177.93 176.13 2bic h ARG 38 N -1.06 0.23 -0.89 5.26 0.11 -1.59 -3.08 114.38 113.35 2bic h ARG 38 Ca -0.09 -0.04 0.08 0.00 0.10 0.00 0.00 59.98 60.03 2bic h ARG 38 Cb 0.74 -0.04 -0.11 0.00 1.11 0.00 0.00 29.97 31.67 2bic h ARG 38 CO 0.16 0.31 -0.51 0.00 0.10 0.00 0.00 179.97 180.02 2bic h GLU 41 N 0.00 0.00 0.00 0.00 4.39 -1.12 -1.17 114.58 116.69 2bic h GLU 41 Ca -0.01 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 2bic h GLU 41 Cb 1.52 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.13 2bic h GLU 41 CO 0.11 0.13 -1.72 -1.91 -1.16 0.00 0.00 179.01 174.46 2bic n GLU 42 N -3.99 0.56 0.00 2.33 2.13 -0.84 -4.82 120.64 116.00 2bic n GLU 42 Ca -0.02 0.34 -0.17 0.00 0.66 0.00 0.00 57.16 57.96 2bic n GLU 42 Cb 0.21 -1.54 -0.12 0.00 0.27 0.00 0.00 31.44 30.26 2bic n GLU 42 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2bic h GLN 43 N -1.00 0.31 -6.86 5.31 1.08 -0.98 -3.45 115.11 109.52 2bic h GLN 43 Ca -0.39 -0.38 -0.48 0.00 -1.45 0.00 0.00 58.65 55.95 2bic h GLN 43 Cb 1.29 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.84 2bic h GLN 43 CO -0.24 1.09 0.39 0.00 -0.95 0.00 0.00 178.83 179.12 2bic n GLY 45 N 0.83 -0.04 3.42 0.00 0.00 -1.26 -4.64 105.19 103.51 2bic n GLY 45 Ca 0.01 0.55 -0.45 0.00 0.00 0.00 0.00 46.02 46.14 2bic n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bic s SER 46 N 0.00 6.74 -0.14 1.61 0.01 -1.26 -4.82 113.70 115.83 2bic s SER 46 Ca 0.00 -2.35 -0.15 0.00 1.31 0.00 0.00 55.95 54.76 2bic s SER 46 Cb 0.00 -2.35 -0.12 0.00 0.21 0.00 0.00 66.02 63.75 2bic s SER 46 CO 0.00 -0.90 0.22 0.74 0.41 0.00 0.00 173.24 173.71 2bic h THR 47 N 5.39 0.70 -4.19 1.44 2.02 -1.95 -3.46 112.91 112.86 2bic h THR 47 Ca 0.17 -1.64 -0.49 0.00 0.77 0.00 0.00 66.41 65.23 2bic h THR 47 Cb 1.00 1.43 0.05 0.00 -1.74 0.00 0.00 68.15 68.89 2bic h THR 47 CO 1.05 0.24 0.38 0.42 0.37 0.00 0.00 175.52 177.97 2bic s THR 48 N -2.07 3.93 -1.35 3.16 -4.23 -1.26 -4.92 115.64 108.90 2bic s THR 48 Ca -0.15 0.94 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 2bic s THR 48 Cb 0.01 -3.45 0.05 0.00 1.34 0.00 0.00 72.50 70.45 2bic s THR 48 CO 0.37 -0.51 1.93 -0.81 -0.54 0.00 0.00 174.62 175.05 2bic n PRO 49 N -1.86 3.00 -3.15 3.99 -0.04 -1.26 -4.69 135.00 130.98 2bic n PRO 49 Ca 0.08 -2.98 0.03 0.00 -0.04 0.00 0.00 63.50 60.59 2bic n PRO 49 Cb 0.53 -3.42 -0.00 0.00 -0.04 0.00 0.00 33.50 30.57 2bic n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bic s ALA 50 N 4.06 -2.64 0.00 0.55 0.00 -1.26 -5.01 121.76 117.46 2bic s ALA 50 Ca 0.52 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2bic s ALA 50 Cb 0.08 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2bic s ALA 50 CO 0.02 -2.03 0.00 -1.13 0.00 0.00 0.00 175.76 172.62 2bic n SER 51 N 4.94 0.00 0.00 0.00 3.41 -1.26 -5.00 113.62 115.71 2bic n SER 51 Ca 0.08 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 2bic n SER 51 Cb 0.56 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.30 2bic n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88