#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 -0.42 -0.25 1.62 -1.08 -1.26 -5.08 116.67 110.19 2bic s ASP 2 Ca 0.00 0.77 -0.32 0.00 -0.52 0.00 0.00 52.55 52.48 2bic s ASP 2 Cb 0.00 0.80 -0.09 0.00 -1.46 0.00 0.00 42.92 42.17 2bic s ASP 2 CO 0.00 -0.19 2.15 -2.65 0.52 0.00 0.00 175.17 175.00 2bic n PRO 3 N 2.65 1.63 -3.32 4.34 -0.02 -1.26 -4.90 135.00 134.13 2bic n PRO 3 Ca -0.14 0.48 -0.10 0.00 -2.02 0.00 0.00 63.50 61.72 2bic n PRO 3 Cb 0.57 -2.80 -0.07 0.00 -0.02 0.00 0.00 33.50 31.19 2bic n PRO 3 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bic s LEU 4 N 7.09 -0.71 -0.16 2.45 2.96 -1.26 -5.14 118.68 123.92 2bic s LEU 4 Ca 1.03 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 54.48 2bic s LEU 4 Cb -0.62 1.04 -0.05 0.00 0.50 0.00 0.00 46.19 47.06 2bic s LEU 4 CO 0.44 -0.35 0.26 -0.31 -1.32 0.00 0.00 176.35 175.07 2bic s TYR 5 N 2.53 3.48 -0.68 5.38 2.02 -1.26 -4.68 117.35 124.14 2bic s TYR 5 Ca 0.10 0.56 -0.24 0.00 -0.37 0.00 0.00 57.07 57.13 2bic s TYR 5 Cb -0.13 -2.27 0.06 0.00 -0.40 0.00 0.00 41.96 39.21 2bic s TYR 5 CO -0.28 0.31 1.05 0.00 -1.57 0.00 0.00 175.55 175.06 2bic s GLN 7 N 4.52 3.86 0.00 0.00 0.74 -1.26 -4.90 119.66 122.62 2bic s GLN 7 Ca 0.26 -2.71 0.00 0.00 0.05 0.00 0.00 55.36 52.96 2bic s GLN 7 Cb -0.14 -4.55 0.00 0.00 1.10 0.00 0.00 33.01 29.42 2bic s GLN 7 CO 0.12 -1.33 0.00 0.00 -0.55 0.00 0.00 175.29 173.52 2bic n ALA 8 N 3.78 0.00 -3.89 1.58 0.00 -1.26 -5.02 120.51 115.69 2bic n ALA 8 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.30 2bic n ALA 8 Cb 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.76 2bic n ALA 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bic s ILE 9 N 0.50 2.76 0.00 0.00 1.01 -1.26 -4.69 121.20 119.52 2bic s ILE 9 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 60.65 58.51 2bic s ILE 9 Cb 0.00 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.54 2bic s ILE 9 CO 0.00 -0.59 0.00 0.61 0.00 0.00 0.00 174.94 174.96 2bic n GLY 10 N 4.43 3.41 3.85 6.18 0.00 -1.26 -5.06 105.19 116.74 2bic n GLY 10 Ca -0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.01 -1.85 -2.45 0.00 -0.02 -1.26 -4.64 135.00 121.77 2bic n PRO 12 Ca 0.07 -0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 60.33 2bic n PRO 12 Cb 0.55 -0.76 -0.03 0.00 -0.02 0.00 0.00 33.50 33.24 2bic n PRO 12 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2bic s THR 13 N -2.00 3.54 0.31 3.45 2.01 -1.26 -4.75 115.64 116.94 2bic s THR 13 Ca 0.34 1.13 0.37 0.00 0.31 0.00 0.00 61.69 63.85 2bic s THR 13 Cb -0.03 -3.56 0.39 0.00 0.01 0.00 0.00 72.50 69.31 2bic s THR 13 CO 0.26 -0.04 2.13 0.17 -0.69 0.00 0.00 174.62 176.45 2bic h LEU 14 N 2.20 0.00 -0.68 4.42 -0.00 -1.94 -2.21 115.31 117.10 2bic h LEU 14 Ca -0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.25 2bic h LEU 14 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2bic h LEU 14 CO 0.61 0.00 -0.64 0.22 -0.00 0.00 0.00 178.44 178.63 2bic h TYR 15 N 0.00 0.13 -4.06 0.17 3.20 -1.99 -3.41 116.97 111.02 2bic h TYR 15 Ca 0.00 -0.05 -0.48 0.00 3.14 0.00 0.00 58.73 61.34 2bic h TYR 15 Cb 0.18 -0.02 0.04 0.00 1.54 0.00 0.00 36.73 38.46 2bic h TYR 15 CO 0.00 0.71 0.40 -1.54 -1.64 0.00 0.00 178.16 176.09 2bic s SER 16 N -6.87 6.27 0.49 -2.11 1.04 -0.83 -4.95 113.70 106.75 2bic s SER 16 Ca -0.02 2.01 0.26 0.00 0.48 0.00 0.00 55.95 58.68 2bic s SER 16 Cb 0.12 -2.57 1.25 0.00 0.10 0.00 0.00 66.02 64.93 2bic s SER 16 CO 0.78 -0.83 1.98 -0.33 0.98 0.00 0.00 173.24 175.82 2bic h GLU 17 N 1.64 0.00 -0.54 4.02 3.07 -1.86 -2.98 114.58 117.92 2bic h GLU 17 Ca -0.49 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.35 2bic h GLU 17 Cb 1.23 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 2bic h GLU 17 CO 0.59 0.16 0.27 0.00 -1.40 0.00 0.00 179.01 178.63 2bic h ALA 18 N 1.84 0.70 0.00 3.43 0.00 -1.92 -2.70 119.26 120.61 2bic h ALA 18 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2bic h ALA 18 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2bic h ALA 18 CO 0.02 0.26 -0.65 -0.97 0.00 0.00 0.00 179.25 177.91 2bic h ASN 19 N 0.73 0.00 -0.54 0.00 -1.24 -1.74 -3.20 115.58 109.59 2bic h ASN 19 Ca 0.19 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 2bic h ASN 19 Cb 0.11 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 2bic h ASN 19 CO -0.02 0.65 0.24 -0.07 -1.29 0.00 0.00 177.43 176.93 2bic h LEU 20 N 0.00 0.73 -0.39 0.34 3.38 -1.39 -2.23 115.31 115.75 2bic h LEU 20 Ca -0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2bic h LEU 20 Cb 1.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2bic h LEU 20 CO 0.08 0.68 -0.10 0.00 0.09 0.00 0.00 178.44 179.20 2bic h ALA 21 N 1.08 0.54 0.00 1.53 0.00 -1.53 0.63 119.26 121.52 2bic h ALA 21 Ca 0.18 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2bic h ALA 21 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bic h ALA 21 CO -0.02 0.41 -0.23 -0.39 0.00 0.00 0.00 179.25 179.02 2bic h VAL 22 N 0.57 0.70 0.00 0.00 -1.51 -1.54 -2.49 116.25 111.98 2bic h VAL 22 Ca 0.10 -1.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.39 2bic h VAL 22 Cb 0.62 1.64 -0.03 0.00 -2.13 0.00 0.00 31.29 31.38 2bic h VAL 22 CO 0.04 0.23 -1.13 -1.28 -1.23 0.00 0.00 177.57 174.19 2bic h SER 23 N 0.00 0.00 -0.79 4.19 0.87 -1.30 -3.37 113.55 113.15 2bic h SER 23 Ca -0.00 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.72 2bic h SER 23 Cb 0.62 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.47 2bic h SER 23 CO 0.03 0.69 0.31 0.50 -0.53 0.00 0.00 176.83 177.83 2bic h LYS 24 N 0.00 0.41 0.57 2.24 3.64 -0.38 -0.44 116.57 122.61 2bic h LYS 24 Ca -0.11 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 2bic h LYS 24 Cb 1.62 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2bic h LYS 24 CO 0.07 0.27 -0.27 1.49 -2.27 0.00 0.00 179.45 178.74 2bic h GLU 25 N 0.42 -0.74 -1.31 1.90 4.81 -1.77 -2.48 114.58 115.41 2bic h GLU 25 Ca 0.45 0.05 0.40 0.00 -0.13 0.00 0.00 59.36 60.13 2bic h GLU 25 Cb 0.73 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 30.18 2bic h GLU 25 CO -0.44 -0.49 0.88 0.00 -0.73 0.00 0.00 179.01 178.22 2bic h ARG 27 N 0.13 0.38 0.56 0.00 0.11 -1.20 -1.78 114.38 112.58 2bic h ARG 27 Ca 0.74 -0.65 -0.03 0.00 0.10 0.00 0.00 59.98 60.14 2bic h ARG 27 Cb 2.42 0.24 0.01 0.00 1.11 0.00 0.00 29.97 33.75 2bic h ARG 27 CO -0.28 1.30 -0.27 0.22 0.10 0.00 0.00 179.97 181.04 2bic h ASP 28 N 0.10 -0.64 -3.96 0.08 3.58 -0.13 -3.22 116.42 112.23 2bic h ASP 28 Ca -0.33 -0.04 -0.73 0.00 0.42 0.00 0.00 57.03 56.35 2bic h ASP 28 Cb 2.09 0.17 -0.33 0.00 1.72 0.00 0.00 39.33 42.98 2bic h ASP 28 CO 0.18 -0.27 -0.18 -1.58 -2.88 0.00 0.00 179.24 174.51 2bic s GLN 29 N -4.69 3.00 0.00 0.28 0.74 0.32 -4.39 119.66 114.92 2bic s GLN 29 Ca -0.14 -2.66 0.00 0.00 0.05 0.00 0.00 55.36 52.61 2bic s GLN 29 Cb 0.02 -3.97 0.00 0.00 1.10 0.00 0.00 33.01 30.16 2bic s GLN 29 CO 0.47 -1.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.40 2bic n GLY 30 N 3.40 -0.04 0.00 2.59 0.00 -1.24 -4.41 105.19 105.48 2bic n GLY 30 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 0.00 0.04 1.61 4.81 -0.67 -4.80 118.16 119.15 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 0.00 -0.62 0.00 3.14 7.94 -1.26 -5.07 117.00 121.13 2bic n LEU 32 Ca 0.00 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2bic n LEU 32 Cb 0.00 0.87 0.00 0.00 0.53 0.00 0.00 43.42 44.82 2bic n LEU 32 CO 0.00 -0.40 0.00 0.61 -1.11 0.00 0.00 177.39 176.49 2bic n GLY 33 N -0.65 -0.21 0.06 -3.96 0.00 -1.26 -4.93 105.19 94.23 2bic n GLY 33 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 2bic n GLY 33 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bic h ASP 34 N 0.00 -0.01 0.00 1.61 3.32 -1.99 -3.38 116.42 115.98 2bic h ASP 34 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2bic h ASP 34 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2bic h ASP 34 CO 0.00 0.38 0.00 -0.67 -1.72 0.00 0.00 179.24 177.23 2bic n ASP 35 N -4.91 0.00 0.04 6.45 -0.08 -1.26 -1.83 116.55 114.96 2bic n ASP 35 Ca -0.08 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.09 2bic n ASP 35 Cb 0.21 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.62 2bic n ASP 35 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2bic h PHE 36 N 0.00 -0.76 -0.80 -0.67 0.04 -1.87 -2.55 116.94 110.32 2bic h PHE 36 Ca 0.00 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.87 2bic h PHE 36 Cb 0.00 0.34 -0.10 0.00 2.20 0.00 0.00 35.95 38.40 2bic h PHE 36 CO 0.00 -0.37 -0.47 1.58 -0.60 0.00 0.00 178.31 178.45 2bic n HIS 37 N -5.39 -0.35 0.01 -0.55 -0.00 -0.76 -0.65 115.22 107.53 2bic n HIS 37 Ca -0.04 1.00 -0.12 0.00 0.46 0.00 0.00 57.72 59.02 2bic n HIS 37 Cb 0.30 -0.56 0.00 0.00 -0.12 0.00 0.00 29.99 29.61 2bic n HIS 37 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2bic h ARG 38 N 0.00 0.58 -0.19 1.57 2.43 -1.77 -1.85 114.38 115.14 2bic h ARG 38 Ca 0.13 -0.44 0.05 0.00 -0.81 0.00 0.00 59.98 58.91 2bic h ARG 38 Cb 0.33 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 2bic h ARG 38 CO -0.76 1.06 -0.14 0.00 -1.51 0.00 0.00 179.97 178.63 2bic h GLU 41 N -0.91 0.71 0.36 0.00 4.39 -1.37 -2.32 114.58 115.44 2bic h GLU 41 Ca -0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2bic h GLU 41 Cb 0.67 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2bic h GLU 41 CO 0.01 0.47 -0.17 1.49 -1.16 0.00 0.00 179.01 179.65 2bic h GLU 42 N 0.73 -0.46 -2.38 2.33 4.57 -1.50 -2.83 114.58 115.05 2bic h GLU 42 Ca 0.43 0.03 -0.65 0.00 -1.18 0.00 0.00 59.36 57.99 2bic h GLU 42 Cb 0.62 0.11 -0.15 0.00 -0.16 0.00 0.00 28.75 29.17 2bic h GLU 42 CO -0.19 -0.15 1.62 1.04 -1.18 0.00 0.00 179.01 180.15 2bic n GLN 43 N -5.12 3.79 0.14 1.92 6.02 -0.92 -4.22 117.38 118.99 2bic n GLN 43 Ca -0.09 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.84 2bic n GLN 43 Cb 0.27 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.09 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bic s GLY 45 N -1.83 -0.47 -0.13 0.00 0.00 -1.15 -4.96 107.32 98.79 2bic s GLY 45 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 44.72 43.63 2bic s GLY 45 CO 0.00 3.14 0.47 -0.45 0.00 0.00 0.00 173.10 176.26 2bic s SER 46 N 0.91 6.66 0.13 1.64 0.15 -1.08 -4.78 113.70 117.34 2bic s SER 46 Ca 0.26 0.79 -0.10 0.00 0.70 0.00 0.00 55.95 57.61 2bic s SER 46 Cb -0.02 -2.28 -0.08 0.00 -1.71 0.00 0.00 66.02 61.93 2bic s SER 46 CO -0.08 -0.00 1.37 0.71 1.20 0.00 0.00 173.24 176.43 2bic h THR 47 N 4.74 1.30 -3.02 6.45 1.35 -1.96 -3.40 112.91 118.37 2bic h THR 47 Ca -0.41 -1.92 -0.58 0.00 -0.55 0.00 0.00 66.41 62.95 2bic h THR 47 Cb 1.18 1.89 -0.40 0.00 -1.73 0.00 0.00 68.15 69.09 2bic h THR 47 CO 0.75 0.61 -0.76 -0.89 -0.25 0.00 0.00 175.52 174.98 2bic s THR 48 N -3.84 0.81 0.65 6.82 2.01 -1.26 -5.13 115.64 115.69 2bic s THR 48 Ca -0.09 -1.60 -0.18 0.00 0.31 0.00 0.00 61.69 60.12 2bic s THR 48 Cb 0.10 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 2bic s THR 48 CO 0.89 -0.76 1.29 -2.84 -0.69 0.00 0.00 174.62 172.51 2bic s PRO 49 N 1.35 2.51 0.19 4.92 0.02 -1.26 -4.93 135.00 137.80 2bic s PRO 49 Ca 0.12 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2bic s PRO 49 Cb -0.19 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.49 2bic s PRO 49 CO -0.18 -1.63 0.00 0.00 -0.33 0.00 0.00 177.00 174.86 2bic n ALA 50 N -1.96 1.16 -2.28 -1.55 0.00 -1.26 -5.12 120.51 109.50 2bic n ALA 50 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 2bic n ALA 50 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 2bic n ALA 50 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2bic s SER 51 N -2.61 6.90 0.00 0.00 0.01 -1.26 -5.25 113.70 111.49 2bic s SER 51 Ca 0.00 1.18 0.29 0.00 1.31 0.00 0.00 55.95 58.73 2bic s SER 51 Cb 0.00 -2.33 1.20 0.00 0.21 0.00 0.00 66.02 65.10 2bic s SER 51 CO 0.00 0.09 1.83 0.00 0.41 0.00 0.00 173.24 175.57