#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 4.14 0.16 1.62 1.01 -1.26 -5.10 116.67 117.24 2bic s ASP 2 Ca 0.00 -1.66 -0.31 0.00 0.71 0.00 0.00 52.55 51.29 2bic s ASP 2 Cb 0.00 -1.10 -0.11 0.00 1.01 0.00 0.00 42.92 42.72 2bic s ASP 2 CO 0.00 -0.37 1.78 -2.84 0.21 0.00 0.00 175.17 173.95 2bic s PRO 3 N 1.40 4.13 -0.54 8.23 0.02 -1.26 -4.94 135.00 142.05 2bic s PRO 3 Ca 0.07 2.60 -0.19 0.00 0.02 0.00 0.00 61.00 63.50 2bic s PRO 3 Cb -0.18 -3.36 0.07 0.00 0.02 0.00 0.00 34.50 31.06 2bic s PRO 3 CO -0.17 -0.80 0.68 -1.17 -0.33 0.00 0.00 177.00 175.21 2bic s LEU 4 N 2.03 5.05 0.28 -5.54 2.96 -1.26 -5.02 118.68 117.19 2bic s LEU 4 Ca 0.78 -1.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2bic s LEU 4 Cb -0.48 -2.41 -0.06 0.00 0.50 0.00 0.00 46.19 43.75 2bic s LEU 4 CO 0.34 -1.01 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.02 2bic s TYR 5 N 2.76 1.92 0.36 5.38 2.02 -1.26 -4.73 117.35 123.81 2bic s TYR 5 Ca 0.15 -0.76 -0.25 0.00 -0.37 0.00 0.00 57.07 55.84 2bic s TYR 5 Cb -0.21 -1.13 -0.10 0.00 -0.40 0.00 0.00 41.96 40.12 2bic s TYR 5 CO 0.10 0.21 0.97 0.00 -1.57 0.00 0.00 175.55 175.26 2bic n GLN 7 N 0.20 0.41 -1.04 0.00 7.27 -1.26 -4.20 117.38 118.77 2bic n GLN 7 Ca 0.04 -3.13 -0.04 0.00 0.07 0.00 0.00 57.00 53.94 2bic n GLN 7 Cb 0.51 -1.48 0.02 0.00 2.41 0.00 0.00 30.24 31.70 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 2.26 0.06 0.08 1.69 0.00 -1.26 -5.03 120.51 118.31 2bic n ALA 8 Ca 0.26 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 2bic n ALA 8 Cb 0.51 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 2bic n ALA 8 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2bic h ILE 9 N -0.36 0.00 0.20 0.00 1.08 -1.97 -3.40 117.51 113.07 2bic h ILE 9 Ca -0.06 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 2bic h ILE 9 Cb 0.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 2bic h ILE 9 CO 0.07 0.00 -0.10 1.23 -0.69 0.00 0.00 178.15 178.66 2bic h GLY 10 N -0.65 -0.28 -3.34 5.37 0.00 -1.97 -3.48 103.07 98.72 2bic h GLY 10 Ca -0.03 0.11 -0.56 0.00 0.00 0.00 0.00 47.33 46.85 2bic h GLY 10 CO 0.04 -0.10 -1.51 0.00 0.00 0.00 0.00 176.54 174.97 2bic n PRO 12 N 2.00 0.74 -1.07 0.00 -0.02 -1.26 -4.57 135.00 130.81 2bic n PRO 12 Ca 0.02 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 2bic n PRO 12 Cb 0.51 -1.74 0.13 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.52 2.74 0.19 3.45 -1.32 -1.26 -4.63 115.64 113.28 2bic s THR 13 Ca 0.66 0.24 -0.12 0.00 -1.21 0.00 0.00 61.69 61.26 2bic s THR 13 Cb -0.52 -2.60 0.10 0.00 -1.51 0.00 0.00 72.50 67.97 2bic s THR 13 CO 0.56 -0.32 1.75 0.25 -2.21 0.00 0.00 174.62 174.65 2bic h LEU 14 N -1.54 0.19 -4.21 9.08 5.85 -1.92 -2.84 115.31 119.92 2bic h LEU 14 Ca -0.47 0.06 -0.69 0.00 0.84 0.00 0.00 57.88 57.63 2bic h LEU 14 Cb 1.26 0.04 -0.30 0.00 0.37 0.00 0.00 40.66 42.03 2bic h LEU 14 CO 0.50 0.14 0.75 -1.22 -0.34 0.00 0.00 178.44 178.27 2bic n TYR 15 N -5.00 3.15 -4.13 1.25 4.01 -1.26 -4.77 117.16 110.41 2bic n TYR 15 Ca 0.05 -2.82 -0.23 0.00 -0.16 0.00 0.00 57.90 54.74 2bic n TYR 15 Cb 0.20 -1.28 -0.05 0.00 -0.31 0.00 0.00 39.34 37.90 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 -1.85 5.38 0.21 7.72 1.04 -1.07 -5.03 113.70 120.10 2bic s SER 16 Ca 0.61 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.69 2bic s SER 16 Cb 0.48 -1.34 0.15 0.00 0.10 0.00 0.00 66.02 65.42 2bic s SER 16 CO -0.10 -0.00 1.76 -0.33 0.98 0.00 0.00 173.24 175.55 2bic h GLU 17 N 1.80 1.18 0.00 4.02 3.07 -1.93 -2.52 114.58 120.21 2bic h GLU 17 Ca -0.48 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.09 2bic h GLU 17 Cb 1.23 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 2bic h GLU 17 CO 0.61 0.98 -0.28 0.00 -1.40 0.00 0.00 179.01 178.92 2bic h ALA 18 N 1.15 1.49 -0.72 3.43 0.00 -1.96 -3.16 119.26 119.50 2bic h ALA 18 Ca 0.25 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2bic h ALA 18 Cb 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2bic h ALA 18 CO -0.01 0.35 0.22 -0.97 0.00 0.00 0.00 179.25 178.83 2bic h ASN 19 N 0.00 1.05 -0.95 0.00 -0.73 -1.69 -3.04 115.58 110.22 2bic h ASN 19 Ca -0.00 -0.20 0.07 0.00 1.87 0.00 0.00 56.30 58.04 2bic h ASN 19 Cb 0.50 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 38.75 2bic h ASN 19 CO 0.04 0.98 0.62 -0.07 -0.37 0.00 0.00 177.43 178.62 2bic h LEU 20 N 1.08 0.96 0.03 0.34 -0.00 -1.56 0.17 115.31 116.33 2bic h LEU 20 Ca 0.23 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.12 2bic h LEU 20 Cb 0.31 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 2bic h LEU 20 CO -0.01 0.61 -0.02 0.00 -0.00 0.00 0.00 178.44 179.02 2bic h ALA 21 N 1.49 -0.05 -0.16 1.53 0.00 -1.68 -2.63 119.26 117.76 2bic h ALA 21 Ca 0.41 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 2bic h ALA 21 Cb 0.21 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2bic h ALA 21 CO -0.16 -0.34 -0.75 -0.24 0.00 0.00 0.00 179.25 177.76 2bic h VAL 22 N -0.41 1.29 -0.05 0.00 3.04 -1.41 -3.26 116.25 115.45 2bic h VAL 22 Ca -0.00 -1.96 -0.13 0.00 -1.01 0.00 0.00 66.70 63.59 2bic h VAL 22 Cb 0.38 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.60 2bic h VAL 22 CO 0.01 0.62 -0.57 0.77 -1.01 0.00 0.00 177.57 177.39 2bic h SER 23 N 0.52 0.18 0.08 3.17 4.64 -0.78 -3.13 113.55 118.24 2bic h SER 23 Ca -0.04 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 2bic h SER 23 Cb 1.37 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2bic h SER 23 CO 0.15 0.71 -0.23 0.50 -0.87 0.00 0.00 176.83 177.10 2bic h LYS 24 N 0.13 0.27 -0.35 4.77 3.64 -1.52 0.00 116.57 123.50 2bic h LYS 24 Ca -0.00 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2bic h LYS 24 Cb 1.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2bic h LYS 24 CO 0.08 0.49 0.14 0.93 -2.27 0.00 0.00 179.45 178.83 2bic h GLU 25 N 0.24 0.52 -0.21 1.90 5.08 -1.59 -1.46 114.58 119.06 2bic h GLU 25 Ca 0.04 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 2bic h GLU 25 Cb 0.54 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2bic h GLU 25 CO 0.04 0.50 -0.44 0.00 -1.00 0.00 0.00 179.01 178.10 2bic h ARG 27 N 0.42 1.17 -0.59 0.00 2.43 -0.90 -2.90 114.38 114.02 2bic h ARG 27 Ca 0.03 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 2bic h ARG 27 Cb 0.95 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 2bic h ARG 27 CO 0.08 0.92 0.12 0.22 -1.51 0.00 0.00 179.97 179.80 2bic h ASP 28 N 1.14 0.87 -3.15 -3.80 1.82 -1.21 -3.42 116.42 108.69 2bic h ASP 28 Ca 0.27 -0.18 -0.55 0.00 -0.39 0.00 0.00 57.03 56.18 2bic h ASP 28 Cb 0.16 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 2bic h ASP 28 CO -0.03 0.87 0.64 -1.10 -1.61 0.00 0.00 179.24 178.01 2bic s GLN 29 N -5.19 4.39 5.49 0.28 -1.52 -1.09 -4.78 119.66 117.24 2bic s GLN 29 Ca -0.10 1.64 0.00 0.00 -1.95 0.00 0.00 55.36 54.94 2bic s GLN 29 Cb 0.15 -3.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 2bic s GLN 29 CO 0.82 -0.37 0.00 0.41 -0.25 0.00 0.00 175.29 175.89 2bic n GLY 30 N 3.28 1.02 1.50 3.09 0.00 -1.26 -4.88 105.19 107.94 2bic n GLY 30 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 12.48 0.00 -3.27 1.61 4.81 -1.26 -5.09 118.16 127.43 2bic n LYS 31 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 2bic n LYS 31 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 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 -5.09 -0.95 0.00 3.14 1.98 -1.26 -5.05 118.68 111.45 2bic s LEU 32 Ca 0.00 0.14 0.00 0.00 -2.89 0.00 0.00 54.13 51.38 2bic s LEU 32 Cb 0.00 1.42 0.00 0.00 0.66 0.00 0.00 46.19 48.27 2bic s LEU 32 CO 0.00 -0.31 0.00 0.61 -1.89 0.00 0.00 176.35 174.76 2bic n GLY 33 N 5.38 -0.49 0.08 7.98 0.00 -1.26 -5.04 105.19 111.83 2bic n GLY 33 Ca -0.01 0.64 -0.11 0.00 0.00 0.00 0.00 46.02 46.54 2bic n GLY 33 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bic h ASP 34 N 0.00 0.00 0.00 1.61 3.04 -2.00 -3.43 116.42 115.64 2bic h ASP 34 Ca 0.00 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2bic h ASP 34 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2bic h ASP 34 CO 0.00 0.99 0.00 -0.67 -2.04 0.00 0.00 179.24 177.52 2bic n ASP 35 N -4.59 0.00 -0.30 4.15 -0.08 -1.26 -2.41 116.55 112.06 2bic n ASP 35 Ca -0.14 0.00 0.28 0.00 -1.51 0.00 0.00 54.79 53.42 2bic n ASP 35 Cb 0.39 0.00 0.52 0.00 2.34 0.00 0.00 41.12 44.37 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 -2.41 1.04 -0.00 -0.67 3.72 -1.26 -0.84 117.46 117.04 2bic n PHE 36 Ca 0.00 1.11 -0.13 0.00 -0.05 0.00 0.00 57.45 58.38 2bic n PHE 36 Cb 0.00 -1.48 -0.10 0.00 -0.94 0.00 0.00 39.48 36.96 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 -0.06 0.00 1.38 2.76 -1.82 0.35 115.15 117.76 2bic h HIS 37 Ca 0.77 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.87 2bic h HIS 37 Cb 2.01 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.98 2bic h HIS 37 CO -0.06 0.51 -0.34 0.00 -1.30 0.00 0.00 177.93 176.75 2bic h ARG 38 N -0.69 0.00 0.00 5.26 3.08 -1.35 0.55 114.38 121.23 2bic h ARG 38 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2bic h ARG 38 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2bic h ARG 38 CO 0.01 0.34 -0.83 0.00 -1.07 0.00 0.00 179.97 178.42 2bic h GLU 41 N 0.00 0.15 0.03 0.00 4.39 -1.04 -3.28 114.58 114.83 2bic h GLU 41 Ca -0.06 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.38 2bic h GLU 41 Cb 1.34 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2bic h GLU 41 CO 0.04 0.97 -0.01 1.49 -1.16 0.00 0.00 179.01 180.33 2bic h GLU 42 N 0.04 -0.04 -4.04 2.33 4.81 -1.58 -3.35 114.58 112.75 2bic h GLU 42 Ca -0.21 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 58.25 2bic h GLU 42 Cb 1.97 0.01 -0.24 0.00 0.63 0.00 0.00 28.75 31.11 2bic h GLU 42 CO 0.14 0.59 0.11 -0.65 -0.73 0.00 0.00 179.01 178.47 2bic s GLN 43 N -3.48 3.46 -0.09 1.92 -1.52 -0.94 -4.89 119.66 114.12 2bic s GLN 43 Ca -0.16 -2.20 -0.09 0.00 -1.95 0.00 0.00 55.36 50.96 2bic s GLN 43 Cb 0.00 -4.44 -0.03 0.00 -0.22 0.00 0.00 33.01 28.32 2bic s GLN 43 CO 0.64 -1.36 -0.18 0.00 -0.25 0.00 0.00 175.29 174.14 2bic n GLY 45 N 1.69 -1.99 3.50 0.00 0.00 -1.26 -4.17 105.19 102.96 2bic n GLY 45 Ca -0.07 0.74 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 2bic n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bic s SER 46 N 2.00 6.30 0.11 1.61 0.15 -1.26 -5.03 113.70 117.58 2bic s SER 46 Ca 0.00 -0.55 -0.20 0.00 0.70 0.00 0.00 55.95 55.90 2bic s SER 46 Cb 0.00 -2.39 -0.07 0.00 -1.71 0.00 0.00 66.02 61.85 2bic s SER 46 CO 0.00 -1.13 0.62 0.28 1.20 0.00 0.00 173.24 174.21 2bic s THR 47 N 3.53 4.67 0.09 6.45 -1.32 -1.26 -5.06 115.64 122.73 2bic s THR 47 Ca 0.25 1.28 -0.23 0.00 -1.21 0.00 0.00 61.69 61.77 2bic s THR 47 Cb -0.15 -3.92 -0.07 0.00 -1.51 0.00 0.00 72.50 66.85 2bic s THR 47 CO 0.17 0.49 0.71 0.28 -2.21 0.00 0.00 174.62 174.05 2bic s THR 48 N -1.19 4.62 -0.39 5.08 -1.32 -1.26 -5.01 115.64 116.17 2bic s THR 48 Ca 0.32 1.52 -0.29 0.00 -1.21 0.00 0.00 61.69 62.03 2bic s THR 48 Cb -0.19 -4.05 0.02 0.00 -1.51 0.00 0.00 72.50 66.76 2bic s THR 48 CO 0.21 0.47 1.19 -2.16 -2.21 0.00 0.00 174.62 172.11 2bic s PRO 49 N -0.69 3.83 -0.26 7.08 0.04 -1.26 -4.97 135.00 138.77 2bic s PRO 49 Ca 0.34 0.88 -0.10 0.00 0.04 0.00 0.00 61.00 62.17 2bic s PRO 49 Cb -0.21 -3.87 0.11 0.00 0.04 0.00 0.00 34.50 30.57 2bic s PRO 49 CO 0.23 -1.23 0.58 0.00 0.04 0.00 0.00 177.00 176.61 2bic s ALA 50 N 4.35 -1.74 -0.45 8.56 0.00 -1.26 -5.12 121.76 126.11 2bic s ALA 50 Ca 0.51 2.08 -0.22 0.00 0.00 0.00 0.00 51.96 54.33 2bic s ALA 50 Cb -0.11 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.45 2bic s ALA 50 CO 0.26 -0.81 0.70 -1.12 0.00 0.00 0.00 175.76 174.79 2bic s SER 51 N 2.66 6.35 0.00 0.00 0.01 -1.26 -5.30 113.70 116.17 2bic s SER 51 Ca -0.05 -0.27 0.27 0.00 1.31 0.00 0.00 55.95 57.21 2bic s SER 51 Cb -0.11 -2.35 0.83 0.00 0.21 0.00 0.00 66.02 64.60 2bic s SER 51 CO -0.17 -0.85 1.62 0.00 0.41 0.00 0.00 173.24 174.25