#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2phb h SER 2 N 0.00 0.00 -3.27 0.00 0.02 -2.00 -2.99 113.55 105.31 2phb h SER 2 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 2phb h SER 2 Cb 0.41 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.76 2phb h SER 2 CO 0.00 0.04 -0.05 -0.22 -1.14 0.00 0.00 176.83 175.46 2phb s LEU 3 N -6.26 5.14 -0.69 5.07 1.98 -0.86 -4.48 118.68 118.58 2phb s LEU 3 Ca 0.04 -1.02 -0.03 0.00 -2.89 0.00 0.00 54.13 50.22 2phb s LEU 3 Cb 0.07 -2.38 0.03 0.00 0.66 0.00 0.00 46.19 44.58 2phb s LEU 3 CO 0.62 -0.83 0.13 -0.67 -1.89 0.00 0.00 176.35 173.71 2phb n ASP 4 N 5.91 -2.44 -2.07 3.68 -0.08 -1.26 -3.38 116.55 116.91 2phb n ASP 4 Ca -0.08 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2phb n ASP 4 Cb 0.45 -2.13 0.00 0.00 2.34 0.00 0.00 41.12 41.78 2phb n ASP 4 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2phb n ASN 5 N -1.80 -9.24 -3.00 1.67 5.15 -1.13 -3.75 115.26 103.16 2phb n ASN 5 Ca -0.04 1.42 0.00 0.00 -0.60 0.00 0.00 54.58 55.36 2phb n ASN 5 Cb 0.54 -5.20 0.00 0.00 -0.53 0.00 0.00 39.78 34.59 2phb n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2phb n GLY 6 N 1.55 0.33 2.36 8.20 0.00 -1.22 -3.76 105.19 112.65 2phb n GLY 6 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2phb n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2phb n ASP 7 N 2.28 -4.44 -4.83 1.61 2.03 -1.25 -4.96 116.55 107.00 2phb n ASP 7 Ca 0.00 0.35 -0.33 0.00 0.52 0.00 0.00 54.79 55.32 2phb n ASP 7 Cb 0.00 -3.79 -0.06 0.00 -0.72 0.00 0.00 41.12 36.54 2phb n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2phb h ASP 9 N 2.29 0.70 0.00 0.00 5.19 -1.64 -3.48 116.42 119.49 2phb h ASP 9 Ca -0.48 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 55.34 2phb h ASP 9 Cb 1.18 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2phb h ASP 9 CO 0.64 1.17 0.00 0.00 -3.12 0.00 0.00 179.24 177.93 2phb n GLN 10 N -4.20 0.00 -1.76 3.56 6.02 -1.26 -5.00 117.38 114.73 2phb n GLN 10 Ca -0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.52 2phb n GLN 10 Cb 0.58 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.86 2phb n GLN 10 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2phb n PHE 11 N 0.00 2.72 -4.04 1.08 3.72 -0.81 -4.88 117.46 115.25 2phb n PHE 11 Ca 0.00 0.44 -0.19 0.00 -0.05 0.00 0.00 57.45 57.65 2phb n PHE 11 Cb 0.00 -2.46 -0.16 0.00 -0.94 0.00 0.00 39.48 35.91 2phb n PHE 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2phb s HIS 13 N 1.06 1.92 -0.59 0.00 3.76 -0.41 -4.98 115.29 116.05 2phb s HIS 13 Ca -0.09 -0.49 0.04 0.00 -0.15 0.00 0.00 55.06 54.37 2phb s HIS 13 Cb -0.14 -0.88 0.15 0.00 1.11 0.00 0.00 32.58 32.82 2phb s HIS 13 CO -0.01 0.48 0.36 -1.21 -0.85 0.00 0.00 174.74 173.51 2phb s GLU 14 N -3.60 2.15 0.02 1.40 2.02 -1.26 -1.34 118.70 118.08 2phb s GLU 14 Ca 0.25 -2.90 -0.01 0.00 0.02 0.00 0.00 54.97 52.33 2phb s GLU 14 Cb -0.02 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 2phb s GLU 14 CO 0.10 -1.19 0.14 -1.21 0.02 0.00 0.00 175.26 173.12 2phb s GLU 15 N -0.75 3.24 -0.78 1.61 2.02 -1.26 -4.41 118.70 118.37 2phb s GLU 15 Ca 0.20 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.75 2phb s GLU 15 Cb -0.17 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2phb s GLU 15 CO -0.07 0.64 0.00 1.04 0.02 0.00 0.00 175.26 176.89 2phb n GLN 16 N 0.84 -2.29 -3.22 1.61 3.00 -1.26 -1.17 117.38 114.88 2phb n GLN 16 Ca -0.10 0.44 -0.15 0.00 -0.01 0.00 0.00 57.00 57.18 2phb n GLN 16 Cb 0.52 -4.96 0.08 0.00 0.00 0.00 0.00 30.24 25.88 2phb n GLN 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2phb n ASN 17 N -1.50 -2.16 0.00 1.08 4.05 -1.26 -4.99 115.26 110.49 2phb n ASN 17 Ca -0.10 -0.54 0.00 0.00 0.45 0.00 0.00 54.58 54.39 2phb n ASN 17 Cb 0.54 -4.48 0.00 0.00 1.23 0.00 0.00 39.78 37.07 2phb n ASN 17 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 2phb n SER 18 N -2.83 0.41 -3.68 1.20 2.88 -0.32 -5.04 113.62 106.23 2phb n SER 18 Ca -0.24 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.20 2phb n SER 18 Cb 0.64 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.00 2phb n SER 18 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2phb s VAL 19 N 2.64 -0.17 -0.13 2.46 1.01 -1.26 -4.42 120.40 120.53 2phb s VAL 19 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2phb s VAL 19 Cb 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.77 2phb s VAL 19 CO 0.00 0.04 -0.01 0.54 0.00 0.00 0.00 175.10 175.67 2phb s VAL 20 N 1.70 0.66 0.36 2.92 0.11 -0.45 -4.95 120.40 120.75 2phb s VAL 20 Ca -0.08 -0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 58.61 2phb s VAL 20 Cb -0.09 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2phb s VAL 20 CO -0.13 0.11 0.66 0.00 -3.33 0.00 0.00 175.10 172.41 2phb s SER 22 N -3.28 -0.02 0.27 0.00 1.04 -0.82 -4.96 113.70 105.93 2phb s SER 22 Ca 0.47 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 56.00 2phb s SER 22 Cb -0.10 0.64 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 2phb s SER 22 CO 0.32 -1.24 0.04 0.00 0.98 0.00 0.00 173.24 173.34 2phb s ALA 24 N -3.44 1.88 0.27 0.00 0.00 -1.26 -4.91 121.76 114.30 2phb s ALA 24 Ca 0.34 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2phb s ALA 24 Cb 0.07 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.02 2phb s ALA 24 CO 0.13 -2.14 1.60 0.50 0.00 0.00 0.00 175.76 175.84 2phb s ARG 25 N -5.22 4.13 0.00 0.00 3.52 -1.26 -2.31 118.95 117.81 2phb s ARG 25 Ca 0.63 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.79 2phb s ARG 25 Cb -0.15 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 2phb s ARG 25 CO 0.54 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2phb n GLY 26 N 2.46 0.44 3.28 8.12 0.00 -1.26 -4.74 105.19 113.49 2phb n GLY 26 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2phb n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2phb s TYR 27 N -2.00 1.71 0.03 1.61 1.51 -0.98 -0.39 117.35 118.84 2phb s TYR 27 Ca 0.00 -0.44 0.07 0.00 -1.01 0.00 0.00 57.07 55.69 2phb s TYR 27 Cb 0.00 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 2phb s TYR 27 CO 0.00 0.21 -0.17 0.95 -1.11 0.00 0.00 175.55 175.42 2phb s THR 28 N -1.40 2.83 -0.13 -0.71 -4.23 0.33 -4.78 115.64 107.56 2phb s THR 28 Ca 0.07 -1.13 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 2phb s THR 28 Cb -0.09 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 2phb s THR 28 CO 0.04 0.36 1.37 -0.22 -0.54 0.00 0.00 174.62 175.63 2phb s LEU 29 N -1.37 4.22 1.15 4.79 2.96 -1.26 -0.61 118.68 128.55 2phb s LEU 29 Ca 0.14 1.85 -0.14 0.00 -0.22 0.00 0.00 54.13 55.76 2phb s LEU 29 Cb -0.11 -3.54 0.23 0.00 0.50 0.00 0.00 46.19 43.28 2phb s LEU 29 CO 0.05 -0.80 0.77 0.00 -1.32 0.00 0.00 176.35 175.05 2phb n ALA 30 N 6.66 -3.10 -0.28 5.97 0.00 0.47 -4.78 120.51 125.44 2phb n ALA 30 Ca 0.15 -1.16 0.06 0.00 0.00 0.00 0.00 53.44 52.49 2phb n ALA 30 Cb 0.44 -1.89 0.21 0.00 0.00 0.00 0.00 19.45 18.21 2phb n ALA 30 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2phb h ASP 31 N -2.48 0.43 0.00 0.00 5.19 -1.94 0.14 116.42 117.77 2phb h ASP 31 Ca -0.58 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2phb h ASP 31 Cb 1.33 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.88 2phb h ASP 31 CO 0.46 0.18 0.00 -0.46 -3.12 0.00 0.00 179.24 176.30 2phb n ASN 32 N -4.92 0.00 -1.55 6.45 0.23 -1.26 -4.84 115.26 109.37 2phb n ASN 32 Ca 0.16 -1.08 -0.19 0.00 -0.53 0.00 0.00 54.58 52.93 2phb n ASN 32 Cb 0.42 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.04 2phb n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2phb n GLY 33 N 0.27 1.83 1.17 4.83 0.00 0.51 -4.75 105.19 109.05 2phb n GLY 33 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2phb n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2phb n LYS 34 N -2.25 0.00 -1.95 1.61 5.02 -1.26 -4.16 118.16 115.17 2phb n LYS 34 Ca -0.19 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.76 2phb n LYS 34 Cb 0.64 -0.42 0.03 0.00 -0.02 0.00 0.00 35.03 35.26 2phb n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2phb s ALA 35 N -2.00 2.55 -0.21 7.82 0.00 -1.26 -1.63 121.76 127.03 2phb s ALA 35 Ca 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2phb s ALA 35 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 2phb s ALA 35 CO 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 175.76 174.56 2phb s ILE 37 N 1.36 5.36 0.15 0.00 -1.09 0.22 -4.89 121.20 122.31 2phb s ILE 37 Ca 0.04 0.33 -0.31 0.00 -2.23 0.00 0.00 60.65 58.48 2phb s ILE 37 Cb -0.14 -3.54 -0.10 0.00 -1.58 0.00 0.00 42.46 37.10 2phb s ILE 37 CO -0.07 0.40 1.62 -2.84 -1.23 0.00 0.00 174.94 172.82 2phb s PRO 38 N 0.52 4.19 0.32 2.79 0.02 -1.26 -0.52 135.00 141.07 2phb s PRO 38 Ca 0.11 2.40 0.15 0.00 0.02 0.00 0.00 61.00 63.68 2phb s PRO 38 Cb -0.12 -3.26 0.50 0.00 0.02 0.00 0.00 34.50 31.64 2phb s PRO 38 CO 0.01 -0.67 1.66 1.15 -0.33 0.00 0.00 177.00 178.83 2phb h THR 39 N 4.18 1.15 -2.98 0.99 2.02 -1.07 -3.47 112.91 113.72 2phb h THR 39 Ca -0.43 -1.85 -0.06 0.00 0.77 0.00 0.00 66.41 64.85 2phb h THR 39 Cb 1.20 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 69.67 2phb h THR 39 CO 0.93 0.49 0.19 0.61 0.37 0.00 0.00 175.52 178.10 2phb n GLY 40 N 0.29 1.28 3.72 2.16 0.00 -1.26 -5.09 105.19 106.28 2phb n GLY 40 Ca -0.01 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 2phb n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2phb s PRO 41 N -2.16 1.90 -1.24 1.61 0.04 -1.26 -3.73 135.00 130.16 2phb s PRO 41 Ca 0.15 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 2phb s PRO 41 Cb -0.04 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 2phb s PRO 41 CO 0.11 -1.97 0.87 0.66 0.04 0.00 0.00 177.00 176.72 2phb n TYR 42 N -3.26 -2.09 -2.02 0.56 4.01 -1.26 -4.96 117.16 108.15 2phb n TYR 42 Ca 0.12 0.89 -0.35 0.00 -0.16 0.00 0.00 57.90 58.40 2phb n TYR 42 Cb 0.51 -4.75 0.03 0.00 -0.31 0.00 0.00 39.34 34.82 2phb n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2phb s PRO 43 N -5.57 3.04 0.52 -0.72 0.04 -1.24 -4.94 135.00 126.12 2phb s PRO 43 Ca 0.02 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 2phb s PRO 43 Cb -0.00 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2phb s PRO 43 CO 0.76 -1.10 1.36 0.00 0.04 0.00 0.00 177.00 178.06 2phb n GLY 45 N 0.74 1.34 3.55 0.00 0.00 -1.26 -5.03 105.19 104.53 2phb n GLY 45 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2phb n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2phb s LYS 46 N -0.19 3.45 0.47 1.61 -0.14 -1.14 -5.08 119.74 118.72 2phb s LYS 46 Ca 0.00 -0.49 -0.23 0.00 -1.36 0.00 0.00 55.97 53.88 2phb s LYS 46 Cb 0.00 -2.87 -0.07 0.00 -1.68 0.00 0.00 37.83 33.21 2phb s LYS 46 CO 0.00 0.38 1.24 -0.65 -0.76 0.00 0.00 175.35 175.56 2phb s GLN 47 N -0.01 3.66 0.05 1.68 -0.21 -1.26 -4.90 119.66 118.68 2phb s GLN 47 Ca 0.01 1.97 -0.15 0.00 0.02 0.00 0.00 55.36 57.21 2phb s GLN 47 Cb -0.13 -2.46 -0.06 0.00 1.00 0.00 0.00 33.01 31.36 2phb s GLN 47 CO 0.02 -0.69 0.47 0.95 -2.12 0.00 0.00 175.29 173.93 2phb s THR 48 N -1.42 4.93 -0.08 -0.19 -4.23 -1.26 -4.98 115.64 108.41 2phb s THR 48 Ca 0.64 0.91 0.10 0.00 -1.18 0.00 0.00 61.69 62.16 2phb s THR 48 Cb -0.34 -3.76 -0.14 0.00 1.34 0.00 0.00 72.50 69.60 2phb s THR 48 CO 0.41 0.49 0.10 0.18 -0.54 0.00 0.00 174.62 175.26 2phb n LEU 49 N 1.55 0.00 0.00 4.79 4.77 -1.26 -5.24 117.00 121.61 2phb n LEU 49 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2phb n LEU 49 Cb 0.52 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2phb n LEU 49 CO 0.40 0.19 0.16 1.21 -1.33 0.00 0.00 177.39 178.02