#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 3.69 0.00 1.62 1.11 -1.26 -5.05 116.67 116.78 2bic s ASP 2 Ca 0.00 -2.20 0.00 0.00 0.18 0.00 0.00 52.55 50.53 2bic s ASP 2 Cb 0.00 -0.87 0.00 0.00 1.07 0.00 0.00 42.92 43.12 2bic s ASP 2 CO 0.00 -0.33 0.00 -0.81 1.18 0.00 0.00 175.17 175.21 2bic n PRO 3 N 4.10 0.00 0.00 8.23 -0.04 -1.26 -4.86 135.00 141.16 2bic n PRO 3 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2bic n PRO 3 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 2bic n PRO 3 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2bic n LEU 4 N 0.00 0.00 -4.83 1.53 0.00 -1.26 -4.82 117.00 107.62 2bic n LEU 4 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.64 2bic n LEU 4 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 2bic n LEU 4 CO 0.00 0.00 0.24 -0.31 0.00 0.00 0.00 177.39 177.32 2bic s TYR 5 N 0.00 3.70 -0.34 1.96 2.02 -1.26 -4.77 117.35 118.66 2bic s TYR 5 Ca 0.00 1.15 -0.28 0.00 -0.37 0.00 0.00 57.07 57.56 2bic s TYR 5 Cb 0.00 -2.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.12 2bic s TYR 5 CO 0.00 0.52 1.84 0.00 -1.57 0.00 0.00 175.55 176.34 2bic n GLN 7 N 8.50 0.73 0.00 0.00 -0.06 -1.26 -4.78 117.38 120.52 2bic n GLN 7 Ca 0.23 -3.56 0.00 0.00 -2.00 0.00 0.00 57.00 51.68 2bic n GLN 7 Cb 0.47 -1.79 0.00 0.00 -4.06 0.00 0.00 30.24 24.86 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2bic n ALA 8 N 2.39 0.00 -3.96 1.69 0.00 -1.26 -4.91 120.51 114.45 2bic n ALA 8 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 2bic n ALA 8 Cb 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 2bic n ALA 8 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2bic s ILE 9 N 0.09 2.41 0.00 0.00 -0.00 -1.26 -4.83 121.20 117.61 2bic s ILE 9 Ca 0.00 -1.73 0.00 0.00 -0.00 0.00 0.00 60.65 58.92 2bic s ILE 9 Cb 0.00 -2.49 0.00 0.00 -0.00 0.00 0.00 42.46 39.97 2bic s ILE 9 CO 0.00 -0.17 0.00 0.61 -0.00 0.00 0.00 174.94 175.38 2bic n GLY 10 N 4.45 2.91 1.22 6.27 0.00 -1.26 -4.37 105.19 114.41 2bic n GLY 10 Ca -0.10 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 2bic n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bic n PRO 12 N 0.47 -0.59 -1.69 0.00 -0.02 -1.26 -4.87 135.00 127.04 2bic n PRO 12 Ca 0.05 -0.15 -0.39 0.00 -2.02 0.00 0.00 63.50 60.98 2bic n PRO 12 Cb 0.13 -1.56 0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2bic n PRO 12 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2bic n THR 13 N -3.63 3.25 -0.05 3.45 -1.04 -1.26 -4.78 114.28 110.21 2bic n THR 13 Ca 0.02 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.46 2bic n THR 13 Cb 0.59 -1.47 -0.01 0.00 -1.82 0.00 0.00 70.33 67.62 2bic n THR 13 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2bic h LEU 14 N 1.46 -0.50 -7.21 -4.42 4.07 -1.91 -3.13 115.31 103.67 2bic h LEU 14 Ca -0.49 0.11 -0.79 0.00 0.08 0.00 0.00 57.88 56.79 2bic h LEU 14 Cb 1.32 0.26 -0.26 0.00 1.08 0.00 0.00 40.66 43.06 2bic h LEU 14 CO 0.57 -0.19 0.82 -1.22 -1.08 0.00 0.00 178.44 177.34 2bic n TYR 15 N -5.32 3.83 -3.96 1.13 4.01 -1.26 -4.55 117.16 111.04 2bic n TYR 15 Ca -0.01 -3.22 -0.10 0.00 -0.16 0.00 0.00 57.90 54.41 2bic n TYR 15 Cb 0.23 -1.60 -0.07 0.00 -0.31 0.00 0.00 39.34 37.60 2bic n TYR 15 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2bic s SER 16 N 0.17 0.01 0.30 7.72 1.04 -1.18 -5.07 113.70 116.69 2bic s SER 16 Ca 0.33 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2bic s SER 16 Cb -0.02 0.46 0.47 0.00 0.10 0.00 0.00 66.02 67.03 2bic s SER 16 CO 0.01 -0.93 1.80 1.05 0.98 0.00 0.00 173.24 176.15 2bic h GLU 17 N 2.49 0.60 -0.16 4.02 4.11 -1.92 -0.88 114.58 122.84 2bic h GLU 17 Ca -0.31 -0.16 -0.06 0.00 0.07 0.00 0.00 59.36 58.90 2bic h GLU 17 Cb 1.23 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2bic h GLU 17 CO 0.46 0.67 -0.14 0.00 0.07 0.00 0.00 179.01 180.07 2bic h ALA 18 N 1.38 0.23 0.00 1.06 0.00 -1.97 -3.13 119.26 116.83 2bic h ALA 18 Ca 0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2bic h ALA 18 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2bic h ALA 18 CO 0.02 0.10 -0.25 -0.97 0.00 0.00 0.00 179.25 178.15 2bic h ASN 19 N 0.02 0.00 -0.34 0.00 -0.73 -1.74 -3.14 115.58 109.65 2bic h ASN 19 Ca 0.03 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.23 2bic h ASN 19 Cb 0.66 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.21 2bic h ASN 19 CO 0.03 0.25 0.14 0.25 -0.37 0.00 0.00 177.43 177.74 2bic h LEU 20 N 0.00 0.18 0.51 0.34 7.12 -1.10 -2.09 115.31 120.27 2bic h LEU 20 Ca -0.00 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 2bic h LEU 20 Cb 0.45 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2bic h LEU 20 CO 0.03 0.14 -0.24 0.00 -0.13 0.00 0.00 178.44 178.24 2bic h ALA 21 N 1.20 -0.86 -0.58 1.25 0.00 -1.58 -1.85 119.26 116.84 2bic h ALA 21 Ca 0.15 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.08 2bic h ALA 21 Cb 0.10 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2bic h ALA 21 CO -0.13 -0.81 0.46 -0.24 0.00 0.00 0.00 179.25 178.53 2bic h VAL 22 N -0.93 0.59 0.00 0.00 3.04 -1.56 0.29 116.25 117.68 2bic h VAL 22 Ca -0.07 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.36 2bic h VAL 22 Cb 0.52 0.67 -0.04 0.00 -2.01 0.00 0.00 31.29 30.43 2bic h VAL 22 CO 0.11 0.00 -1.44 0.77 -1.01 0.00 0.00 177.57 176.01 2bic h SER 23 N 0.00 0.00 0.19 3.17 4.64 -1.46 -2.85 113.55 117.24 2bic h SER 23 Ca 0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2bic h SER 23 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2bic h SER 23 CO -0.00 0.98 -0.08 0.50 -0.87 0.00 0.00 176.83 177.36 2bic h LYS 24 N 0.00 0.00 0.11 4.77 3.64 0.43 0.28 116.57 125.80 2bic h LYS 24 Ca -0.18 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.93 2bic h LYS 24 Cb 1.91 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2bic h LYS 24 CO 0.10 0.08 -1.39 1.05 -2.27 0.00 0.00 179.45 177.02 2bic h GLU 25 N 0.00 0.24 -0.59 1.90 4.11 -1.47 -3.35 114.58 115.42 2bic h GLU 25 Ca -0.00 -0.41 -0.06 0.00 0.07 0.00 0.00 59.36 58.96 2bic h GLU 25 Cb 0.20 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2bic h GLU 25 CO 0.01 1.20 0.14 0.00 0.07 0.00 0.00 179.01 180.42 2bic h ARG 27 N 0.85 0.00 0.03 0.00 9.65 -0.68 -1.71 114.38 122.52 2bic h ARG 27 Ca 0.18 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.80 2bic h ARG 27 Cb 0.36 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 2bic h ARG 27 CO 0.00 0.15 -1.37 -0.44 2.80 0.00 0.00 179.97 181.12 2bic h ASP 28 N 0.00 0.10 -1.18 -3.80 5.19 -1.67 -3.47 116.42 111.59 2bic h ASP 28 Ca -0.00 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2bic h ASP 28 Cb 0.35 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.83 2bic h ASP 28 CO 0.02 1.12 0.00 0.00 -3.12 0.00 0.00 179.24 177.26 2bic n GLN 29 N -3.28 0.33 0.00 3.56 6.02 -0.35 -4.87 117.38 118.79 2bic n GLN 29 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2bic n GLN 29 Cb 1.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.26 2bic n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bic n GLY 30 N 4.73 2.30 0.00 1.08 0.00 -1.24 -4.84 105.19 107.22 2bic n GLY 30 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 12.90 0.00 0.09 1.61 4.81 -1.26 -4.98 118.16 131.34 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 -0.83 -1.56 0.00 3.14 7.94 -1.26 -5.05 117.00 119.37 2bic n LEU 32 Ca 0.00 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 2bic n LEU 32 Cb 0.00 1.72 0.00 0.00 0.53 0.00 0.00 43.42 45.67 2bic n LEU 32 CO 0.00 -0.22 0.00 0.61 -1.11 0.00 0.00 177.39 176.67 2bic n GLY 33 N -1.17 0.17 1.83 -3.96 0.00 -1.26 -4.87 105.19 95.93 2bic n GLY 33 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.80 0.09 1.61 5.68 -1.26 -4.23 116.55 122.24 2bic n ASP 34 Ca 0.00 -3.08 0.12 0.00 -0.50 0.00 0.00 54.79 51.33 2bic n ASP 34 Cb 0.00 -0.75 0.18 0.00 -1.14 0.00 0.00 41.12 39.41 2bic n ASP 34 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2bic h ASP 35 N 0.75 0.00 0.74 -1.12 3.58 -1.96 -3.33 116.42 115.07 2bic h ASP 35 Ca 0.42 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2bic h ASP 35 Cb 2.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.17 2bic h ASP 35 CO 0.76 0.07 0.00 -0.26 -2.88 0.00 0.00 179.24 176.93 2bic h PHE 36 N 0.00 0.00 -0.65 0.28 0.04 -1.94 -3.39 116.94 111.28 2bic h PHE 36 Ca 0.00 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2bic h PHE 36 Cb 0.81 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.84 2bic h PHE 36 CO 0.00 0.00 -0.22 1.58 -0.60 0.00 0.00 178.31 179.07 2bic n HIS 37 N -2.30 0.09 0.34 -0.55 -0.00 -1.25 -0.88 115.22 110.66 2bic n HIS 37 Ca 0.02 0.80 -0.14 0.00 0.46 0.00 0.00 57.72 58.86 2bic n HIS 37 Cb 0.23 -0.79 -0.07 0.00 -0.12 0.00 0.00 29.99 29.25 2bic n HIS 37 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2bic h ARG 38 N 0.00 -0.86 -0.96 1.57 3.08 -1.93 -0.95 114.38 114.33 2bic h ARG 38 Ca 0.25 0.06 0.24 0.00 0.07 0.00 0.00 59.98 60.60 2bic h ARG 38 Cb 0.42 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.48 2bic h ARG 38 CO -0.65 -0.57 -0.06 0.00 -1.07 0.00 0.00 179.97 177.61 2bic h GLU 41 N 0.26 0.23 -0.18 0.00 4.22 0.34 -3.05 114.58 116.40 2bic h GLU 41 Ca -0.10 -0.15 -0.11 0.00 0.08 0.00 0.00 59.36 59.08 2bic h GLU 41 Cb 1.65 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2bic h GLU 41 CO 0.18 0.74 -0.32 0.93 -2.18 0.00 0.00 179.01 178.36 2bic h GLU 42 N -0.25 0.54 -3.87 1.92 5.08 -0.89 -3.29 114.58 113.81 2bic h GLU 42 Ca 0.00 -0.34 -0.78 0.00 -1.00 0.00 0.00 59.36 57.24 2bic h GLU 42 Cb 0.74 0.04 -0.26 0.00 0.50 0.00 0.00 28.75 29.77 2bic h GLU 42 CO 0.03 0.94 0.34 -0.65 -1.00 0.00 0.00 179.01 178.68 2bic s GLN 43 N -4.08 3.84 -0.17 2.33 -0.21 -0.53 -4.84 119.66 115.99 2bic s GLN 43 Ca -0.13 -2.68 -0.15 0.00 0.02 0.00 0.00 55.36 52.42 2bic s GLN 43 Cb 0.07 -4.54 -0.07 0.00 1.00 0.00 0.00 33.01 29.47 2bic s GLN 43 CO 0.81 -1.33 -0.31 0.00 -2.12 0.00 0.00 175.29 172.34 2bic n GLY 45 N 1.65 3.07 2.93 0.00 0.00 -1.26 -4.13 105.19 107.45 2bic n GLY 45 Ca -0.22 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 0.41 0.01 1.61 0.01 -1.26 -4.95 113.70 109.53 2bic s SER 46 Ca 0.00 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2bic s SER 46 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2bic s SER 46 CO 0.00 0.04 0.00 0.35 0.41 0.00 0.00 173.24 174.04 2bic n THR 47 N 2.95 0.01 0.00 1.44 -2.24 -1.26 -1.63 114.28 113.55 2bic n THR 47 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2bic n THR 47 Cb 0.59 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2bic n THR 47 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2bic n THR 48 N -2.64 0.00 -1.81 4.28 -1.04 -1.26 -4.72 114.28 107.10 2bic n THR 48 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2bic n THR 48 Cb 0.11 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.59 2bic n THR 48 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2bic s PRO 49 N 0.00 4.16 -0.26 -2.82 0.02 -1.26 -4.98 135.00 129.86 2bic s PRO 49 Ca 0.00 2.49 -0.09 0.00 0.02 0.00 0.00 61.00 63.41 2bic s PRO 49 Cb 0.00 -3.50 0.11 0.00 0.02 0.00 0.00 34.50 31.12 2bic s PRO 49 CO 0.00 -0.78 0.57 0.00 -0.33 0.00 0.00 177.00 176.46 2bic s ALA 50 N 2.41 -1.69 -0.12 -1.55 0.00 -1.26 -5.07 121.76 114.47 2bic s ALA 50 Ca 0.77 2.04 -0.06 0.00 0.00 0.00 0.00 51.96 54.71 2bic s ALA 50 Cb -0.44 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2bic s ALA 50 CO 0.34 -0.79 -0.11 1.03 0.00 0.00 0.00 175.76 176.23 2bic h SER 51 N 7.93 0.00 0.00 0.00 0.87 -2.03 -3.55 113.55 116.77 2bic h SER 51 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2bic h SER 51 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2bic h SER 51 CO 0.12 0.61 0.00 0.00 -0.53 0.00 0.00 176.83 177.04