#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 0.48 -0.11 -1.84 1.01 -1.26 -5.12 116.67 109.83 2bic s ASP 2 Ca 0.00 -0.31 -0.30 0.00 0.71 0.00 0.00 52.55 52.66 2bic s ASP 2 Cb 0.00 0.01 -0.02 0.00 1.01 0.00 0.00 42.92 43.92 2bic s ASP 2 CO 0.00 -0.11 1.26 -2.16 0.21 0.00 0.00 175.17 174.37 2bic s PRO 3 N -0.84 4.27 -0.24 8.23 0.04 -1.26 -4.99 135.00 140.22 2bic s PRO 3 Ca -0.06 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 2bic s PRO 3 Cb -0.06 -3.69 0.11 0.00 0.04 0.00 0.00 34.50 30.90 2bic s PRO 3 CO -0.00 -0.62 0.25 -1.17 0.04 0.00 0.00 177.00 175.50 2bic s LEU 4 N 3.01 -0.14 0.02 -3.56 0.20 -1.26 -5.13 118.68 111.82 2bic s LEU 4 Ca 0.56 -0.46 -0.12 0.00 0.69 0.00 0.00 54.13 54.81 2bic s LEU 4 Cb -0.24 0.42 -0.06 0.00 -0.43 0.00 0.00 46.19 45.89 2bic s LEU 4 CO 0.18 -0.35 0.38 -0.31 -0.29 0.00 0.00 176.35 175.96 2bic s TYR 5 N 2.34 3.66 0.15 5.38 2.02 -1.26 -4.72 117.35 124.92 2bic s TYR 5 Ca 0.08 0.87 -0.30 0.00 -0.37 0.00 0.00 57.07 57.35 2bic s TYR 5 Cb -0.15 -2.20 -0.07 0.00 -0.40 0.00 0.00 41.96 39.14 2bic s TYR 5 CO -0.21 0.60 1.07 0.00 -1.57 0.00 0.00 175.55 175.44 2bic s GLN 7 N -0.17 3.93 -0.04 0.00 -0.44 -1.26 -4.98 119.66 116.69 2bic s GLN 7 Ca 0.49 -2.31 -0.02 0.00 -2.50 0.00 0.00 55.36 51.03 2bic s GLN 7 Cb -0.28 -5.03 -0.04 0.00 -1.64 0.00 0.00 33.01 26.03 2bic s GLN 7 CO 0.33 -1.78 0.07 0.00 0.50 0.00 0.00 175.29 174.41 2bic s ALA 8 N 2.00 3.57 0.06 1.58 0.00 -1.26 -4.73 121.76 122.97 2bic s ALA 8 Ca 0.40 -0.82 0.20 0.00 0.00 0.00 0.00 51.96 51.74 2bic s ALA 8 Cb -0.03 -1.62 0.64 0.00 0.00 0.00 0.00 23.12 22.10 2bic s ALA 8 CO -0.03 0.66 1.70 -0.84 0.00 0.00 0.00 175.76 177.25 2bic h ILE 9 N 3.56 0.71 -1.75 0.00 3.07 -1.94 -3.36 117.51 117.79 2bic h ILE 9 Ca -0.50 -1.49 -0.45 0.00 1.55 0.00 0.00 64.86 63.96 2bic h ILE 9 Cb 1.19 1.97 -0.37 0.00 -0.27 0.00 0.00 36.82 39.35 2bic h ILE 9 CO 0.60 0.32 -1.10 0.61 -1.05 0.00 0.00 178.15 177.53 2bic n GLY 10 N 0.45 3.20 3.52 0.16 0.00 -1.26 -5.09 105.19 106.16 2bic n GLY 10 Ca 0.01 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.12 -4.86 -0.75 0.00 -0.02 -1.26 -4.96 135.00 123.03 2bic n PRO 12 Ca -0.10 -1.43 -0.30 0.00 -2.02 0.00 0.00 63.50 59.65 2bic n PRO 12 Cb 0.57 -1.87 0.19 0.00 -0.02 0.00 0.00 33.50 32.37 2bic n PRO 12 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2bic s THR 13 N -2.08 2.22 0.11 3.45 -1.32 -1.26 -4.75 115.64 112.01 2bic s THR 13 Ca 0.66 0.07 -0.22 0.00 -1.21 0.00 0.00 61.69 60.98 2bic s THR 13 Cb -0.12 -2.20 -0.09 0.00 -1.51 0.00 0.00 72.50 68.59 2bic s THR 13 CO 0.55 -0.09 1.71 0.25 -2.21 0.00 0.00 174.62 174.83 2bic h LEU 14 N -2.03 -0.19 -4.75 9.08 5.85 -1.98 -3.09 115.31 118.19 2bic h LEU 14 Ca -0.50 0.04 -0.61 0.00 0.84 0.00 0.00 57.88 57.65 2bic h LEU 14 Cb 1.29 0.09 -0.21 0.00 0.37 0.00 0.00 40.66 42.20 2bic h LEU 14 CO 0.47 -0.09 0.69 -1.22 -0.34 0.00 0.00 178.44 177.95 2bic n TYR 15 N -5.19 2.15 -4.06 1.25 4.01 -1.26 -4.46 117.16 109.61 2bic n TYR 15 Ca -0.05 -2.11 -0.24 0.00 -0.16 0.00 0.00 57.90 55.34 2bic n TYR 15 Cb 0.11 -1.31 -0.07 0.00 -0.31 0.00 0.00 39.34 37.76 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 -0.21 4.52 0.13 7.72 1.04 -1.17 -5.03 113.70 120.70 2bic s SER 16 Ca 0.56 -1.01 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2bic s SER 16 Cb 0.40 -0.51 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 2bic s SER 16 CO -0.30 -0.53 1.49 -0.33 0.98 0.00 0.00 173.24 174.55 2bic h GLU 17 N 1.39 0.88 -0.28 4.02 5.08 -1.91 -2.15 114.58 121.61 2bic h GLU 17 Ca -0.43 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 57.43 2bic h GLU 17 Cb 1.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2bic h GLU 17 CO 0.68 1.07 -0.15 0.00 -1.00 0.00 0.00 179.01 179.61 2bic h ALA 18 N 0.79 0.40 -0.22 3.43 0.00 -1.96 -2.68 119.26 119.02 2bic h ALA 18 Ca 0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2bic h ALA 18 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2bic h ALA 18 CO 0.07 0.29 -0.10 -0.97 0.00 0.00 0.00 179.25 178.54 2bic h ASN 19 N 0.34 0.34 -0.52 0.00 -0.73 -1.78 -2.18 115.58 111.04 2bic h ASN 19 Ca 0.06 -0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.07 2bic h ASN 19 Cb 0.67 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 2bic h ASN 19 CO 0.04 0.48 -0.03 0.25 -0.37 0.00 0.00 177.43 177.80 2bic h LEU 20 N 0.34 0.93 0.47 0.34 5.85 -1.32 -3.22 115.31 118.69 2bic h LEU 20 Ca 0.07 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2bic h LEU 20 Cb 0.39 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2bic h LEU 20 CO 0.02 1.03 -0.22 0.00 -0.34 0.00 0.00 178.44 178.93 2bic h ALA 21 N 0.94 -0.76 -0.93 1.25 0.00 -1.27 -3.17 119.26 115.32 2bic h ALA 21 Ca 0.14 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.17 2bic h ALA 21 Cb 0.57 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 18.43 2bic h ALA 21 CO 0.03 -0.71 0.07 -0.24 0.00 0.00 0.00 179.25 178.40 2bic h VAL 22 N -0.95 0.12 -0.28 0.00 3.04 -1.50 0.31 116.25 116.98 2bic h VAL 22 Ca -0.06 -0.02 -0.18 0.00 -1.01 0.00 0.00 66.70 65.43 2bic h VAL 22 Cb 0.48 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2bic h VAL 22 CO 0.11 0.01 -0.52 0.28 -1.01 0.00 0.00 177.57 176.43 2bic h SER 23 N 0.06 0.95 -0.61 3.17 0.02 -1.68 -2.93 113.55 112.52 2bic h SER 23 Ca 0.57 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2bic h SER 23 Cb 1.16 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2bic h SER 23 CO -0.83 1.30 0.22 0.50 -1.14 0.00 0.00 176.83 176.89 2bic h LYS 24 N 0.63 0.97 0.41 3.45 1.63 -0.91 -1.86 116.57 120.89 2bic h LYS 24 Ca 0.01 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 2bic h LYS 24 Cb 1.13 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2bic h LYS 24 CO 0.12 0.81 -0.20 1.49 -3.45 0.00 0.00 179.45 178.23 2bic h GLU 25 N 0.94 -0.53 -1.00 1.90 4.57 -1.48 -3.22 114.58 115.76 2bic h GLU 25 Ca 0.21 0.04 0.33 0.00 -1.18 0.00 0.00 59.36 58.76 2bic h GLU 25 Cb 0.23 0.12 -0.15 0.00 -0.16 0.00 0.00 28.75 28.79 2bic h GLU 25 CO -0.01 -0.35 0.56 0.00 -1.18 0.00 0.00 179.01 178.03 2bic h ARG 27 N 0.29 0.37 0.50 0.00 2.43 -1.38 -2.55 114.38 114.04 2bic h ARG 27 Ca 0.74 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.87 2bic h ARG 27 Cb 1.72 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 2bic h ARG 27 CO -0.62 0.24 -0.24 0.22 -1.51 0.00 0.00 179.97 178.06 2bic h ASP 28 N 0.38 -0.57 -3.15 -3.80 -0.00 -1.02 -3.14 116.42 105.12 2bic h ASP 28 Ca 0.20 -0.06 -0.77 0.00 -0.00 0.00 0.00 57.03 56.39 2bic h ASP 28 Cb 0.15 0.15 -0.24 0.00 -0.00 0.00 0.00 39.33 39.38 2bic h ASP 28 CO -0.17 -0.18 0.67 -1.10 -0.00 0.00 0.00 179.24 178.46 2bic s GLN 29 N -4.39 4.05 0.00 0.28 1.11 -1.16 -4.33 119.66 115.23 2bic s GLN 29 Ca -0.13 -2.84 0.00 0.00 0.01 0.00 0.00 55.36 52.40 2bic s GLN 29 Cb 0.02 -4.70 0.00 0.00 -1.01 0.00 0.00 33.01 27.31 2bic s GLN 29 CO 0.43 -1.43 0.00 0.41 0.01 0.00 0.00 175.29 174.72 2bic n GLY 30 N 3.45 0.00 3.49 3.09 0.00 -0.96 -4.69 105.19 109.56 2bic n GLY 30 Ca 0.26 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 2bic n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bic s LYS 31 N 0.00 3.99 0.24 1.61 2.47 -1.18 -4.47 119.74 122.39 2bic s LYS 31 Ca 0.00 -2.31 0.00 0.00 -1.56 0.00 0.00 55.97 52.10 2bic s LYS 31 Cb 0.00 -5.15 0.00 0.00 -1.46 0.00 0.00 37.83 31.22 2bic s LYS 31 CO 0.00 -1.88 0.00 1.28 0.16 0.00 0.00 175.35 174.91 2bic n LEU 32 N 6.41 -0.06 0.00 5.43 4.77 -1.26 -5.10 117.00 127.18 2bic n LEU 32 Ca 0.37 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 2bic n LEU 32 Cb 0.44 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 2bic n LEU 32 CO 0.64 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 2bic n GLY 33 N 1.67 2.25 3.38 -0.72 0.00 -1.26 -4.98 105.19 105.52 2bic n GLY 33 Ca 0.00 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 2bic n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bic n ASP 34 N 0.00 5.22 0.16 1.61 8.00 -1.26 -4.08 116.55 126.20 2bic n ASP 34 Ca 0.00 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.50 2bic n ASP 34 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.55 2bic n ASP 34 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2bic n ASP 35 N 5.33 -2.95 -0.30 -2.24 -0.08 -1.26 -4.99 116.55 110.06 2bic n ASP 35 Ca 0.37 0.65 0.29 0.00 -1.51 0.00 0.00 54.79 54.59 2bic n ASP 35 Cb 0.42 2.89 0.54 0.00 2.34 0.00 0.00 41.12 47.30 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 -3.17 1.07 -0.09 -0.67 3.72 -1.26 -1.47 117.46 115.59 2bic n PHE 36 Ca 0.00 1.11 -0.07 0.00 -0.05 0.00 0.00 57.45 58.44 2bic n PHE 36 Cb 0.00 -1.49 0.00 0.00 -0.94 0.00 0.00 39.48 37.05 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 0.26 -0.45 1.38 2.76 -1.87 0.14 115.15 117.38 2bic h HIS 37 Ca 0.78 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.86 2bic h HIS 37 Cb 2.05 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.93 2bic h HIS 37 CO -0.04 0.13 -0.15 -0.09 -1.30 0.00 0.00 177.93 176.48 2bic h ARG 38 N 0.30 0.89 -0.46 5.26 9.65 -1.67 -1.89 114.38 126.46 2bic h ARG 38 Ca 0.14 -0.36 0.01 0.00 -1.10 0.00 0.00 59.98 58.67 2bic h ARG 38 Cb 0.08 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 2bic h ARG 38 CO -0.12 1.01 0.29 0.00 2.80 0.00 0.00 179.97 183.95 2bic h GLU 41 N 0.24 0.00 -0.06 0.00 4.39 -1.39 0.58 114.58 118.33 2bic h GLU 41 Ca -0.16 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2bic h GLU 41 Cb 1.78 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.43 2bic h GLU 41 CO 0.21 0.40 -0.04 1.49 -1.16 0.00 0.00 179.01 179.92 2bic h GLU 42 N 0.00 0.13 0.00 2.33 4.81 -1.52 -3.38 114.58 116.94 2bic h GLU 42 Ca -0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2bic h GLU 42 Cb 0.72 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2bic h GLU 42 CO 0.05 0.54 -0.19 0.37 -0.73 0.00 0.00 179.01 179.05 2bic h GLN 43 N -0.28 0.00 -6.68 1.92 -0.00 -1.55 -3.47 115.11 105.04 2bic h GLN 43 Ca 0.01 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.16 2bic h GLN 43 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.96 2bic h GLN 43 CO 0.01 0.28 0.11 0.00 0.00 0.00 0.00 178.83 179.23 2bic n GLY 45 N -0.02 0.11 0.03 0.00 0.00 -1.25 -4.29 105.19 99.78 2bic n GLY 45 Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 2bic n GLY 45 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bic n SER 46 N -0.41 0.82 0.00 1.61 2.88 -1.26 -4.98 113.62 112.29 2bic n SER 46 Ca 0.00 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2bic n SER 46 Cb 0.14 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2bic n SER 46 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2bic n THR 47 N -3.33 0.00 0.00 2.46 -1.04 -1.26 -4.94 114.28 106.18 2bic n THR 47 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2bic n THR 47 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 2bic n THR 47 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2bic n THR 48 N 0.00 0.00 -1.68 12.58 5.66 -1.26 -5.12 114.28 124.47 2bic n THR 48 Ca 0.00 0.00 -0.48 0.00 -3.05 0.00 0.00 64.05 60.52 2bic n THR 48 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 2bic n THR 48 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2bic n PRO 49 N -0.37 2.12 -3.65 1.09 -0.02 -1.26 -4.96 135.00 127.95 2bic n PRO 49 Ca 0.00 0.77 -0.06 0.00 -2.02 0.00 0.00 63.50 62.20 2bic n PRO 49 Cb 0.00 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 30.82 2bic n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bic s ALA 50 N 3.18 -1.75 0.00 3.55 0.00 -1.26 -5.10 121.76 120.39 2bic s ALA 50 Ca 0.89 2.17 0.00 0.00 0.00 0.00 0.00 51.96 55.03 2bic s ALA 50 Cb -0.71 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2bic s ALA 50 CO 0.48 -0.60 0.00 0.45 0.00 0.00 0.00 175.76 176.09 2bic n SER 51 N 4.84 0.00 0.00 0.00 2.88 -1.26 -5.25 113.62 114.83 2bic n SER 51 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2bic n SER 51 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2bic n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81