#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 4.34 0.70 1.62 1.01 -1.26 -5.12 116.67 117.96 2bic s ASP 2 Ca 0.00 -2.26 -0.08 0.00 0.71 0.00 0.00 52.55 50.92 2bic s ASP 2 Cb 0.00 -1.36 0.05 0.00 1.01 0.00 0.00 42.92 42.62 2bic s ASP 2 CO 0.00 -0.34 1.03 -2.16 0.21 0.00 0.00 175.17 173.90 2bic s PRO 3 N 0.77 2.39 0.00 8.23 0.04 -1.26 -5.06 135.00 140.11 2bic s PRO 3 Ca 0.13 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2bic s PRO 3 Cb -0.21 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2bic s PRO 3 CO -0.09 -1.16 0.00 -0.11 0.04 0.00 0.00 177.00 175.68 2bic n LEU 4 N -2.93 0.00 -4.83 -3.56 7.94 -1.26 -5.18 117.00 107.18 2bic n LEU 4 Ca 0.07 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.72 2bic n LEU 4 Cb 0.60 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.50 2bic n LEU 4 CO 0.54 0.00 -0.18 -0.31 -1.11 0.00 0.00 177.39 176.32 2bic s TYR 5 N 0.00 3.19 -0.02 1.96 2.02 -1.26 -4.75 117.35 118.49 2bic s TYR 5 Ca 0.00 -0.03 -0.24 0.00 -0.37 0.00 0.00 57.07 56.43 2bic s TYR 5 Cb 0.00 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2bic s TYR 5 CO 0.00 0.52 0.74 0.00 -1.57 0.00 0.00 175.55 175.24 2bic n GLN 7 N 3.40 0.81 -0.01 0.00 7.27 -1.26 -4.86 117.38 122.74 2bic n GLN 7 Ca -0.01 -3.60 0.00 0.00 0.07 0.00 0.00 57.00 53.46 2bic n GLN 7 Cb 0.51 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 31.36 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bic n ALA 8 N 2.30 0.00 -3.92 1.69 0.00 -1.26 -5.06 120.51 114.26 2bic n ALA 8 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 2bic n ALA 8 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 2bic n ALA 8 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2bic s ILE 9 N 0.90 2.68 0.00 0.00 -1.16 -1.26 -4.71 121.20 117.65 2bic s ILE 9 Ca 0.00 -2.20 0.00 0.00 -0.51 0.00 0.00 60.65 57.94 2bic s ILE 9 Cb 0.00 -2.90 0.00 0.00 0.61 0.00 0.00 42.46 40.17 2bic s ILE 9 CO 0.00 -0.61 0.00 0.61 -2.81 0.00 0.00 174.94 172.13 2bic n GLY 10 N 4.39 2.15 3.78 1.50 0.00 -1.26 -4.99 105.19 110.76 2bic n GLY 10 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.17 -1.38 0.39 0.00 0.02 -1.26 -4.86 135.00 122.74 2bic s PRO 12 Ca 0.63 0.23 -0.26 0.00 0.02 0.00 0.00 61.00 61.62 2bic s PRO 12 Cb -0.15 -1.55 -0.09 0.00 0.02 0.00 0.00 34.50 32.73 2bic s PRO 12 CO 0.54 -3.88 1.24 0.99 -0.33 0.00 0.00 177.00 175.57 2bic s THR 13 N -2.71 2.86 0.27 0.99 2.01 -1.26 -4.75 115.64 113.05 2bic s THR 13 Ca 0.69 0.77 -0.01 0.00 0.31 0.00 0.00 61.69 63.45 2bic s THR 13 Cb -0.15 -3.45 0.27 0.00 0.01 0.00 0.00 72.50 69.18 2bic s THR 13 CO 0.58 0.11 1.85 0.25 -0.69 0.00 0.00 174.62 176.72 2bic h LEU 14 N 2.78 0.93 -5.51 4.42 5.85 -1.92 -2.78 115.31 119.08 2bic h LEU 14 Ca -0.49 0.03 -0.73 0.00 0.84 0.00 0.00 57.88 57.54 2bic h LEU 14 Cb 1.24 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 2bic h LEU 14 CO 0.63 0.54 2.75 -1.22 -0.34 0.00 0.00 178.44 180.80 2bic n TYR 15 N -4.59 2.57 -3.65 1.25 4.01 -1.26 -4.73 117.16 110.76 2bic n TYR 15 Ca 0.17 -2.89 -0.15 0.00 -0.16 0.00 0.00 57.90 54.87 2bic n TYR 15 Cb 0.28 -1.99 -0.08 0.00 -0.31 0.00 0.00 39.34 37.24 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 0.81 -0.58 0.58 7.72 1.04 -1.05 -5.05 113.70 117.18 2bic s SER 16 Ca 0.57 0.95 0.32 0.00 0.48 0.00 0.00 55.95 58.27 2bic s SER 16 Cb 0.18 0.94 1.79 0.00 0.10 0.00 0.00 66.02 69.03 2bic s SER 16 CO -0.09 -0.33 2.20 -0.33 0.98 0.00 0.00 173.24 175.68 2bic h GLU 17 N 4.51 0.00 -0.64 4.02 5.08 -1.88 -1.65 114.58 124.01 2bic h GLU 17 Ca -0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 2bic h GLU 17 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2bic h GLU 17 CO 0.23 0.04 0.19 0.00 -1.00 0.00 0.00 179.01 178.46 2bic h ALA 18 N 1.96 1.12 -0.54 3.43 0.00 -1.96 -2.70 119.26 120.57 2bic h ALA 18 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2bic h ALA 18 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2bic h ALA 18 CO 0.01 0.60 -0.12 -0.97 0.00 0.00 0.00 179.25 178.76 2bic h ASN 19 N 0.95 1.04 -0.87 0.00 -0.73 -1.49 -3.19 115.58 111.29 2bic h ASN 19 Ca 0.21 -0.35 0.10 0.00 1.87 0.00 0.00 56.30 58.13 2bic h ASN 19 Cb 0.29 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 38.53 2bic h ASN 19 CO -0.01 1.16 0.57 -0.07 -0.37 0.00 0.00 177.43 178.71 2bic h LEU 20 N 0.92 0.76 -0.39 0.34 -0.00 -1.26 0.25 115.31 115.93 2bic h LEU 20 Ca 0.14 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.99 2bic h LEU 20 Cb 0.70 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2bic h LEU 20 CO 0.05 0.44 0.03 0.00 -0.00 0.00 0.00 178.44 178.97 2bic h ALA 21 N 1.57 0.52 -0.06 1.53 0.00 -1.49 -1.68 119.26 119.65 2bic h ALA 21 Ca 0.41 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2bic h ALA 21 Cb 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2bic h ALA 21 CO -0.17 0.26 -0.21 0.28 0.00 0.00 0.00 179.25 179.41 2bic h VAL 22 N 0.50 1.45 0.00 0.00 2.07 -1.37 -2.47 116.25 116.43 2bic h VAL 22 Ca 0.11 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 2bic h VAL 22 Cb 0.42 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 2bic h VAL 22 CO 0.01 0.46 -0.18 0.77 0.02 0.00 0.00 177.57 178.65 2bic h SER 23 N -0.29 0.00 1.37 0.57 4.64 -0.60 0.28 113.55 119.51 2bic h SER 23 Ca -0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2bic h SER 23 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2bic h SER 23 CO 0.04 0.18 -0.66 0.50 -0.87 0.00 0.00 176.83 176.03 2bic h LYS 24 N 0.00 0.00 0.05 4.77 3.64 -1.36 -2.35 116.57 121.32 2bic h LYS 24 Ca -0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 2bic h LYS 24 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2bic h LYS 24 CO 0.02 0.24 -1.33 1.49 -2.27 0.00 0.00 179.45 177.61 2bic h GLU 25 N 0.00 0.10 -0.52 1.90 4.57 -0.94 -3.35 114.58 116.33 2bic h GLU 25 Ca -0.03 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 2bic h GLU 25 Cb 1.26 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 2bic h GLU 25 CO 0.03 0.94 -0.01 0.00 -1.18 0.00 0.00 179.01 178.79 2bic n ARG 27 N -4.28 -0.13 -0.31 0.00 3.00 -0.88 -3.05 116.66 111.00 2bic n ARG 27 Ca 0.01 1.16 -0.06 0.00 -0.00 0.00 0.00 57.85 58.97 2bic n ARG 27 Cb 0.33 -1.73 -0.04 0.00 0.00 0.00 0.00 32.46 31.03 2bic n ARG 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2bic n ASP 28 N -5.15 -0.69 -4.49 6.15 -0.08 -1.26 -2.75 116.55 108.28 2bic n ASP 28 Ca 0.09 1.34 -0.43 0.00 -1.51 0.00 0.00 54.79 54.28 2bic n ASP 28 Cb 0.33 -0.22 -0.05 0.00 2.34 0.00 0.00 41.12 43.52 2bic n ASP 28 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2bic s GLN 29 N -5.50 3.24 -0.32 -0.67 -0.21 -1.17 -4.92 119.66 110.11 2bic s GLN 29 Ca -0.10 -0.54 -0.10 0.00 0.02 0.00 0.00 55.36 54.65 2bic s GLN 29 Cb 0.11 -4.06 0.19 0.00 1.00 0.00 0.00 33.01 30.25 2bic s GLN 29 CO 0.49 -1.32 1.05 0.20 -2.12 0.00 0.00 175.29 173.59 2bic s GLY 30 N 2.69 -1.41 -0.11 3.09 0.00 -1.11 -4.45 107.32 106.02 2bic s GLY 30 Ca 0.23 1.47 -0.05 0.00 0.00 0.00 0.00 44.72 46.38 2bic s GLY 30 CO 0.16 4.27 -0.09 1.70 0.00 0.00 0.00 173.10 179.14 2bic h LYS 31 N 5.81 0.00 0.00 2.90 3.64 -1.91 -3.48 116.57 123.54 2bic h LYS 31 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2bic h LYS 31 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2bic h LYS 31 CO -0.08 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.38 2bic n LEU 32 N -4.28 0.59 -2.70 5.20 4.77 -1.26 -5.06 117.00 114.26 2bic n LEU 32 Ca -0.04 0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 56.09 2bic n LEU 32 Cb 0.14 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2bic n LEU 32 CO 0.06 -0.70 0.39 -0.83 -1.33 0.00 0.00 177.39 174.97 2bic s GLY 33 N -4.00 -1.74 0.09 -0.72 0.00 -1.26 -5.05 107.32 94.65 2bic s GLY 33 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.07 2bic s GLY 33 CO 0.00 4.14 0.00 1.22 0.00 0.00 0.00 173.10 178.46 2bic n ASP 34 N 2.74 0.03 0.15 1.64 9.92 -1.26 -4.94 116.55 124.82 2bic n ASP 34 Ca 0.13 0.16 -0.11 0.00 -0.53 0.00 0.00 54.79 54.43 2bic n ASP 34 Cb 0.62 0.10 -0.07 0.00 -0.64 0.00 0.00 41.12 41.14 2bic n ASP 34 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2bic h ASP 35 N 0.00 -0.37 -0.48 -2.24 1.82 -1.97 -3.37 116.42 109.81 2bic h ASP 35 Ca 0.00 -0.17 0.07 0.00 -0.39 0.00 0.00 57.03 56.55 2bic h ASP 35 Cb 0.13 0.10 -0.08 0.00 0.68 0.00 0.00 39.33 40.16 2bic h ASP 35 CO 0.00 0.08 -0.18 0.49 -1.61 0.00 0.00 179.24 178.02 2bic n PHE 36 N -5.09 0.02 -0.39 0.28 3.72 -1.26 -2.53 117.46 112.21 2bic n PHE 36 Ca -0.08 0.59 -0.04 0.00 -0.05 0.00 0.00 57.45 57.86 2bic n PHE 36 Cb 0.26 -0.68 -0.00 0.00 -0.94 0.00 0.00 39.48 38.12 2bic n PHE 36 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2bic n HIS 37 N -4.71 -0.11 0.25 1.38 -0.00 -1.26 -1.18 115.22 109.60 2bic n HIS 37 Ca 0.05 1.21 -0.14 0.00 0.46 0.00 0.00 57.72 59.30 2bic n HIS 37 Cb 0.19 -0.78 -0.08 0.00 -0.12 0.00 0.00 29.99 29.21 2bic n HIS 37 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2bic h ARG 38 N 0.00 -0.63 -0.91 1.57 0.11 -1.78 -2.88 114.38 109.85 2bic h ARG 38 Ca 0.29 0.04 0.17 0.00 0.10 0.00 0.00 59.98 60.57 2bic h ARG 38 Cb 0.53 0.14 -0.16 0.00 1.11 0.00 0.00 29.97 31.59 2bic h ARG 38 CO -0.96 -0.32 -0.28 0.00 0.10 0.00 0.00 179.97 178.51 2bic h GLU 41 N 0.14 0.00 0.00 0.00 4.39 -0.94 -3.36 114.58 114.82 2bic h GLU 41 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2bic h GLU 41 Cb 1.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 2bic h GLU 41 CO 0.18 0.75 0.00 0.39 -1.16 0.00 0.00 179.01 179.16 2bic n GLU 42 N -3.44 0.00 -0.11 2.33 4.71 -0.23 -4.87 120.64 119.04 2bic n GLU 42 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 2bic n GLU 42 Cb 0.78 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 31.19 2bic n GLU 42 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2bic n GLN 43 N 0.00 -0.11 0.00 3.49 6.02 -1.09 -3.26 117.38 122.43 2bic n GLN 43 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 2bic n GLN 43 Cb 0.00 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bic n GLY 45 N -0.89 2.92 3.51 0.00 0.00 -1.20 -5.04 105.19 104.50 2bic n GLY 45 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 6.23 0.00 1.61 0.01 -1.26 -4.84 113.70 115.45 2bic s SER 46 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2bic s SER 46 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2bic s SER 46 CO 0.00 -1.63 0.00 0.35 0.41 0.00 0.00 173.24 172.37 2bic n THR 47 N 6.24 0.00 0.00 1.44 -2.24 -1.26 -4.43 114.28 114.03 2bic n THR 47 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2bic n THR 47 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.14 0.00 -2.73 4.28 -1.04 -1.26 -5.11 114.28 107.28 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 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2bic n THR 48 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2bic s PRO 49 N 0.00 3.17 -0.44 -2.82 0.04 -1.26 -4.98 135.00 128.71 2bic s PRO 49 Ca 0.00 -0.63 -0.26 0.00 0.04 0.00 0.00 61.00 60.15 2bic s PRO 49 Cb 0.00 -4.26 0.02 0.00 0.04 0.00 0.00 34.50 30.30 2bic s PRO 49 CO 0.00 -1.96 0.95 0.00 0.04 0.00 0.00 177.00 176.03 2bic s ALA 50 N 4.74 3.27 -0.12 8.56 0.00 -1.26 -5.01 121.76 131.94 2bic s ALA 50 Ca 0.28 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 2bic s ALA 50 Cb -0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2bic s ALA 50 CO 0.11 -1.96 0.53 -1.54 0.00 0.00 0.00 175.76 172.90 2bic s SER 51 N 2.19 6.73 0.00 0.00 1.04 -1.26 -5.34 113.70 117.07 2bic s SER 51 Ca 0.39 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2bic s SER 51 Cb -0.10 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2bic s SER 51 CO 0.25 -0.05 0.00 0.00 0.98 0.00 0.00 173.24 174.42