#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 6.48 -0.12 4.31 -1.08 -1.26 -4.98 116.67 120.01 2bic s ASP 2 Ca 0.00 0.57 -0.26 0.00 -0.52 0.00 0.00 52.55 52.34 2bic s ASP 2 Cb 0.00 -2.25 -0.27 0.00 -1.46 0.00 0.00 42.92 38.94 2bic s ASP 2 CO 0.00 -0.11 0.73 1.55 0.52 0.00 0.00 175.17 177.85 2bic h PRO 3 N 7.42 0.09 0.00 4.34 0.13 -2.02 -3.49 132.00 138.47 2bic h PRO 3 Ca -0.35 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2bic h PRO 3 Cb 1.16 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bic h PRO 3 CO 0.72 1.07 0.00 -0.11 -0.23 0.00 0.00 178.00 179.46 2bic n LEU 4 N -4.42 0.00 -4.86 1.56 7.94 -1.26 -4.93 117.00 111.02 2bic n LEU 4 Ca -0.14 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.39 2bic n LEU 4 Cb 0.62 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.50 2bic n LEU 4 CO 0.37 0.00 -0.14 -0.31 -1.11 0.00 0.00 177.39 176.19 2bic s TYR 5 N 0.00 3.60 -0.88 1.96 1.51 -1.26 -4.85 117.35 117.43 2bic s TYR 5 Ca 0.00 0.56 -0.23 0.00 -1.01 0.00 0.00 57.07 56.39 2bic s TYR 5 Cb 0.00 -1.99 0.07 0.00 -0.11 0.00 0.00 41.96 39.93 2bic s TYR 5 CO 0.00 0.70 1.25 0.00 -1.11 0.00 0.00 175.55 176.38 2bic n GLN 7 N 8.16 3.63 -2.13 0.00 7.27 -1.26 -4.83 117.38 128.23 2bic n GLN 7 Ca 0.18 -4.33 -0.32 0.00 0.07 0.00 0.00 57.00 52.60 2bic n GLN 7 Cb 0.49 -2.65 -0.00 0.00 2.41 0.00 0.00 30.24 30.49 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 -0.90 2.90 -0.34 1.69 0.00 -1.26 -4.96 121.76 118.89 2bic s ALA 8 Ca 0.33 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 2bic s ALA 8 Cb -0.06 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2bic s ALA 8 CO -0.04 -0.60 1.64 0.96 0.00 0.00 0.00 175.76 177.72 2bic s ILE 9 N -2.64 3.65 0.00 0.00 -0.00 -1.26 -2.07 121.20 118.88 2bic s ILE 9 Ca 0.60 0.67 0.00 0.00 -0.00 0.00 0.00 60.65 61.93 2bic s ILE 9 Cb -0.13 -3.84 0.00 0.00 -0.00 0.00 0.00 42.46 38.49 2bic s ILE 9 CO 0.38 -0.51 0.00 0.61 -0.00 0.00 0.00 174.94 175.42 2bic n GLY 10 N 5.20 3.15 3.90 6.27 0.00 -1.26 -5.10 105.19 117.36 2bic n GLY 10 Ca 0.20 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.24 0.62 -1.67 0.00 -0.02 -1.26 -4.69 135.00 124.75 2bic n PRO 12 Ca 0.08 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 2bic n PRO 12 Cb 0.61 -2.39 0.07 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.76 3.26 0.18 3.45 -1.32 -1.26 -4.72 115.64 113.48 2bic s THR 13 Ca 0.77 0.41 -0.16 0.00 -1.21 0.00 0.00 61.69 61.49 2bic s THR 13 Cb -0.34 -3.24 0.13 0.00 -1.51 0.00 0.00 72.50 67.54 2bic s THR 13 CO 0.47 -0.53 1.65 0.25 -2.21 0.00 0.00 174.62 174.24 2bic h LEU 14 N -0.92 -0.50 -3.39 9.08 5.85 -1.95 -2.46 115.31 121.02 2bic h LEU 14 Ca -0.46 0.15 -0.34 0.00 0.84 0.00 0.00 57.88 58.07 2bic h LEU 14 Cb 1.26 0.31 -0.16 0.00 0.37 0.00 0.00 40.66 42.44 2bic h LEU 14 CO 0.61 -0.18 0.44 -1.22 -0.34 0.00 0.00 178.44 177.75 2bic n TYR 15 N -5.36 1.73 -4.16 1.25 4.01 -1.26 -4.80 117.16 108.57 2bic n TYR 15 Ca 0.04 -1.82 -0.29 0.00 -0.16 0.00 0.00 57.90 55.67 2bic n TYR 15 Cb 0.26 -0.89 -0.08 0.00 -0.31 0.00 0.00 39.34 38.32 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 -0.13 4.86 0.37 7.72 1.04 -0.93 -5.02 113.70 121.61 2bic s SER 16 Ca 0.34 -0.27 0.07 0.00 0.48 0.00 0.00 55.95 56.57 2bic s SER 16 Cb 0.27 -1.09 0.72 0.00 0.10 0.00 0.00 66.02 66.02 2bic s SER 16 CO 0.02 0.15 1.92 -0.33 0.98 0.00 0.00 173.24 175.98 2bic h GLU 17 N 3.26 0.42 0.50 4.02 4.39 -1.90 -2.91 114.58 122.36 2bic h GLU 17 Ca -0.48 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 2bic h GLU 17 Cb 1.17 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2bic h GLU 17 CO 0.58 0.45 -0.24 0.00 -1.16 0.00 0.00 179.01 178.64 2bic h ALA 18 N 1.60 -0.68 -0.90 3.43 0.00 -1.95 -3.27 119.26 117.49 2bic h ALA 18 Ca 0.09 -0.18 0.36 0.00 0.00 0.00 0.00 54.91 55.19 2bic h ALA 18 Cb 0.27 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 2bic h ALA 18 CO 0.01 -0.81 0.44 -1.71 0.00 0.00 0.00 179.25 177.17 2bic n ASN 19 N -5.33 0.27 -0.31 0.00 2.85 -1.10 -0.34 115.26 111.30 2bic n ASN 19 Ca -0.12 1.49 0.10 0.00 -0.11 0.00 0.00 54.58 55.95 2bic n ASN 19 Cb 0.30 -0.71 0.32 0.00 1.24 0.00 0.00 39.78 40.94 2bic n ASN 19 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2bic h LEU 20 N 0.00 0.77 -0.19 1.20 4.07 -1.63 -1.91 115.31 117.62 2bic h LEU 20 Ca 0.74 0.05 -0.13 0.00 0.08 0.00 0.00 57.88 58.62 2bic h LEU 20 Cb 1.92 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.56 2bic h LEU 20 CO -0.71 0.39 -0.37 0.00 -1.08 0.00 0.00 178.44 176.67 2bic h ALA 21 N 1.58 0.30 0.00 1.53 0.00 -0.88 0.82 119.26 122.61 2bic h ALA 21 Ca 0.47 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bic h ALA 21 Cb 0.64 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2bic h ALA 21 CO -0.24 0.38 -0.07 -0.24 0.00 0.00 0.00 179.25 179.08 2bic h VAL 22 N 0.25 0.33 0.00 0.00 3.04 -1.55 -2.75 116.25 115.56 2bic h VAL 22 Ca 0.01 -0.44 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 2bic h VAL 22 Cb 0.97 1.32 -0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2bic h VAL 22 CO 0.08 0.07 -0.21 -1.28 -1.01 0.00 0.00 177.57 175.22 2bic h SER 23 N 0.00 0.00 -0.81 3.17 0.87 -1.31 -3.34 113.55 112.14 2bic h SER 23 Ca -0.00 -0.42 0.12 0.00 -1.23 0.00 0.00 61.79 60.25 2bic h SER 23 Cb 0.32 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.15 2bic h SER 23 CO 0.01 0.83 -0.34 1.17 -0.53 0.00 0.00 176.83 177.97 2bic n LYS 24 N -4.66 -0.21 -0.01 2.24 4.81 0.28 0.41 118.16 121.02 2bic n LYS 24 Ca -0.08 1.24 -0.16 0.00 -0.87 0.00 0.00 58.31 58.43 2bic n LYS 24 Cb 0.29 -1.84 -0.12 0.00 0.02 0.00 0.00 35.03 33.38 2bic n LYS 24 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2bic h GLU 25 N 0.00 0.24 0.02 1.64 5.08 -1.75 -3.10 114.58 116.70 2bic h GLU 25 Ca 0.26 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2bic h GLU 25 Cb 0.46 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2bic h GLU 25 CO -0.80 1.03 -0.01 0.00 -1.00 0.00 0.00 179.01 178.24 2bic h ARG 27 N -0.18 0.28 -0.02 0.00 2.43 -0.18 -0.84 114.38 115.88 2bic h ARG 27 Ca -0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2bic h ARG 27 Cb 0.17 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2bic h ARG 27 CO 0.00 0.19 0.01 0.22 -1.51 0.00 0.00 179.97 178.89 2bic h ASP 28 N 0.29 0.00 -1.63 -3.80 3.58 -1.46 -3.38 116.42 110.02 2bic h ASP 28 Ca 0.27 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.22 2bic h ASP 28 Cb 0.67 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.65 2bic h ASP 28 CO -0.06 0.00 1.19 -1.10 -2.88 0.00 0.00 179.24 176.39 2bic s GLN 29 N -5.00 3.07 4.29 0.28 -0.21 -0.32 -4.78 119.66 116.98 2bic s GLN 29 Ca -0.05 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.00 2bic s GLN 29 Cb 0.17 -4.72 0.00 0.00 1.00 0.00 0.00 33.01 29.46 2bic s GLN 29 CO 0.65 -2.51 0.00 0.41 -2.12 0.00 0.00 175.29 171.72 2bic n GLY 30 N 6.15 0.48 1.75 3.09 0.00 -1.26 -4.84 105.19 110.55 2bic n GLY 30 Ca 0.22 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 8.76 0.00 -3.52 1.61 4.81 -1.26 -5.05 118.16 123.50 2bic n LYS 31 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2bic n LYS 31 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 2bic n LYS 31 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2bic s LEU 32 N -6.05 -0.14 0.00 3.14 2.96 -1.26 -4.97 118.68 112.36 2bic s LEU 32 Ca 0.00 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2bic s LEU 32 Cb 0.00 0.43 0.00 0.00 0.50 0.00 0.00 46.19 47.12 2bic s LEU 32 CO 0.00 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 2bic n GLY 33 N 5.32 -1.05 0.93 7.98 0.00 -1.26 -5.01 105.19 112.11 2bic n GLY 33 Ca -0.05 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 0.13 2.64 0.13 1.61 5.75 -1.26 -4.10 116.55 121.45 2bic n ASP 34 Ca 0.00 -2.24 -0.00 0.00 -0.01 0.00 0.00 54.79 52.54 2bic n ASP 34 Cb 0.00 -0.43 0.10 0.00 -1.03 0.00 0.00 41.12 39.76 2bic n ASP 34 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2bic h ASP 35 N 1.99 0.00 0.89 -1.12 1.82 -1.94 -3.34 116.42 114.71 2bic h ASP 35 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 2bic h ASP 35 Cb 0.87 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 2bic h ASP 35 CO 0.13 0.64 -0.28 -0.26 -1.61 0.00 0.00 179.24 177.86 2bic h PHE 36 N 0.00 0.00 -0.06 0.28 0.04 -1.91 -3.24 116.94 112.05 2bic h PHE 36 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2bic h PHE 36 Cb 1.30 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.45 2bic h PHE 36 CO 0.00 0.28 0.04 1.25 -0.60 0.00 0.00 178.31 179.27 2bic h HIS 37 N 0.00 0.09 -0.73 -0.55 2.76 -1.88 -0.34 115.15 114.50 2bic h HIS 37 Ca -0.00 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2bic h HIS 37 Cb 0.79 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 2bic h HIS 37 CO 0.00 0.12 0.26 0.00 -1.30 0.00 0.00 177.93 177.01 2bic h ARG 38 N 0.03 1.10 -0.46 5.26 3.08 -1.80 -1.27 114.38 120.31 2bic h ARG 38 Ca 0.02 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2bic h ARG 38 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2bic h ARG 38 CO -0.00 0.91 0.26 0.00 -1.07 0.00 0.00 179.97 180.07 2bic h GLU 41 N 0.00 0.00 0.00 0.00 5.08 -1.05 -3.36 114.58 115.25 2bic h GLU 41 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bic h GLU 41 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2bic h GLU 41 CO 0.08 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.18 2bic n GLU 42 N -4.08 0.00 -1.15 2.33 2.13 -1.10 -4.92 120.64 113.85 2bic n GLU 42 Ca -0.03 0.00 -0.52 0.00 0.66 0.00 0.00 57.16 57.27 2bic n GLU 42 Cb 0.09 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.70 2bic n GLU 42 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2bic n GLN 43 N 0.00 0.00 0.17 5.31 7.27 -0.96 -4.60 117.38 124.57 2bic n GLN 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2bic n GLN 43 Cb 0.00 -1.24 0.00 0.00 2.41 0.00 0.00 30.24 31.41 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bic n GLY 45 N -1.32 -1.88 3.49 0.00 0.00 -1.26 -4.44 105.19 99.78 2bic n GLY 45 Ca 0.00 0.70 -0.43 0.00 0.00 0.00 0.00 46.02 46.30 2bic n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bic s SER 46 N 2.00 6.57 0.25 1.61 1.04 -1.26 -4.51 113.70 119.39 2bic s SER 46 Ca 0.00 -1.80 0.00 0.00 0.48 0.00 0.00 55.95 54.63 2bic s SER 46 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2bic s SER 46 CO 0.00 -1.23 0.00 0.41 0.98 0.00 0.00 173.24 173.40 2bic n THR 47 N 5.99 0.00 -3.01 2.02 -1.04 -1.26 -5.09 114.28 111.88 2bic n THR 47 Ca 0.26 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.87 2bic n THR 47 Cb 0.50 -0.27 -0.05 0.00 -1.82 0.00 0.00 70.33 68.69 2bic n THR 47 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2bic s THR 48 N -1.71 4.66 -0.53 12.58 -1.32 -1.26 -5.00 115.64 123.06 2bic s THR 48 Ca 0.00 1.60 -0.29 0.00 -1.21 0.00 0.00 61.69 61.80 2bic s THR 48 Cb 0.00 -4.10 0.03 0.00 -1.51 0.00 0.00 72.50 66.92 2bic s THR 48 CO 0.00 0.41 1.20 -2.16 -2.21 0.00 0.00 174.62 171.86 2bic s PRO 49 N -0.37 3.59 -0.13 7.08 0.04 -1.26 -4.90 135.00 139.06 2bic s PRO 49 Ca 0.37 0.42 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 2bic s PRO 49 Cb -0.21 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 30.25 2bic s PRO 49 CO 0.23 -1.58 0.24 0.00 0.04 0.00 0.00 177.00 175.94 2bic h ALA 50 N 9.58 0.02 0.00 8.56 0.00 -1.99 -3.48 119.26 131.95 2bic h ALA 50 Ca -0.24 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2bic h ALA 50 Cb 1.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2bic h ALA 50 CO 1.16 0.12 0.00 0.43 0.00 0.00 0.00 179.25 180.96 2bic n SER 51 N -4.68 0.00 0.00 0.00 7.64 -1.26 -5.31 113.62 110.02 2bic n SER 51 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2bic n SER 51 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2bic n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03