#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ksn n LEU 0 N 0.00 0.00 0.03 3.14 4.32 -1.26 -0.81 117.00 122.43 1ksn n LEU 0 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.01 1ksn n LEU 0 Cb 0.00 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 41.91 1ksn n LEU 0 CO 0.00 0.00 0.57 0.00 -1.22 0.00 0.00 177.39 176.74 1ksn h SER 2 N 0.00 0.00 -2.86 0.00 0.02 -1.35 -3.19 113.55 106.18 1ksn h SER 2 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1ksn h SER 2 Cb 0.11 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.46 1ksn h SER 2 CO 0.00 0.46 0.32 -0.22 -1.14 0.00 0.00 176.83 176.25 1ksn s LEU 3 N -6.20 5.29 -1.50 5.07 0.20 0.11 -4.52 118.68 117.14 1ksn s LEU 3 Ca 0.02 -1.60 -0.09 0.00 0.69 0.00 0.00 54.13 53.15 1ksn s LEU 3 Cb 0.08 -2.33 0.07 0.00 -0.43 0.00 0.00 46.19 43.57 1ksn s LEU 3 CO 0.76 -1.11 0.74 -0.67 -0.29 0.00 0.00 176.35 175.78 1ksn n ASP 4 N 6.38 -2.60 -2.00 3.68 2.03 -1.26 -1.51 116.55 121.27 1ksn n ASP 4 Ca 0.00 -0.90 -0.20 0.00 0.52 0.00 0.00 54.79 54.21 1ksn n ASP 4 Cb 0.45 -3.42 -0.05 0.00 -0.72 0.00 0.00 41.12 37.38 1ksn n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ksn n ASN 5 N -2.87 -5.51 -0.84 1.67 5.15 -1.20 -2.15 115.26 109.50 1ksn n ASN 5 Ca -0.11 0.25 -0.11 0.00 -0.60 0.00 0.00 54.58 54.01 1ksn n ASN 5 Cb 0.59 -4.73 -0.05 0.00 -0.53 0.00 0.00 39.78 35.06 1ksn n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ksn n GLY 6 N -0.69 1.12 2.19 8.20 0.00 -0.57 -1.80 105.19 113.64 1ksn n GLY 6 Ca -0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 1ksn n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ksn n ASP 7 N -0.84 -3.68 -4.85 1.61 2.03 -0.91 -4.96 116.55 104.95 1ksn n ASP 7 Ca -0.11 0.08 -0.33 0.00 0.52 0.00 0.00 54.79 54.94 1ksn n ASP 7 Cb 0.52 -1.46 -0.06 0.00 -0.72 0.00 0.00 41.12 39.40 1ksn n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ksn h ASP 9 N 2.77 0.82 0.00 0.00 5.19 -1.59 -3.47 116.42 120.14 1ksn h ASP 9 Ca -0.48 -0.46 0.00 0.00 -0.62 0.00 0.00 57.03 55.47 1ksn h ASP 9 Cb 1.18 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1ksn h ASP 9 CO 0.66 1.23 0.00 0.00 -3.12 0.00 0.00 179.24 178.02 1ksn n GLN 10 N -3.96 0.00 -2.26 3.56 6.02 -1.26 -4.99 117.38 114.49 1ksn n GLN 10 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 1ksn n GLN 10 Cb 0.65 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.88 1ksn n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ksn s PHE 11 N 1.58 3.31 -0.07 1.08 0.08 -0.83 -4.92 117.98 118.21 1ksn s PHE 11 Ca 0.00 1.09 0.05 0.00 0.12 0.00 0.00 56.93 58.19 1ksn s PHE 11 Cb 0.00 -3.59 -0.01 0.00 -0.57 0.00 0.00 43.02 38.85 1ksn s PHE 11 CO 0.00 -1.97 -0.22 0.00 -0.10 0.00 0.00 175.22 172.93 1ksn s HIS 13 N -0.10 0.89 -0.36 0.00 3.76 0.41 -4.99 115.29 114.90 1ksn s HIS 13 Ca -0.05 -0.23 -0.15 0.00 -0.15 0.00 0.00 55.06 54.48 1ksn s HIS 13 Cb -0.14 -0.66 -0.00 0.00 1.11 0.00 0.00 32.58 32.88 1ksn s HIS 13 CO 0.04 -0.12 0.33 -1.21 -0.85 0.00 0.00 174.74 172.93 1ksn s GLU 14 N 0.34 3.39 -0.20 1.40 2.02 -1.26 0.86 118.70 125.25 1ksn s GLU 14 Ca -0.05 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1ksn s GLU 14 Cb -0.10 -3.85 0.05 0.00 0.10 0.00 0.00 34.13 30.33 1ksn s GLU 14 CO 0.01 -0.58 -0.07 -1.21 0.02 0.00 0.00 175.26 173.42 1ksn s GLU 15 N 1.91 1.75 -0.87 1.61 2.02 0.18 -4.77 118.70 120.54 1ksn s GLU 15 Ca 0.09 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.24 1ksn s GLU 15 Cb -0.17 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1ksn s GLU 15 CO 0.11 -0.48 0.56 1.04 0.02 0.00 0.00 175.26 176.51 1ksn n GLN 16 N 4.73 -3.96 -1.91 1.61 6.02 -1.26 -2.92 117.38 119.69 1ksn n GLN 16 Ca -0.13 0.52 -0.11 0.00 -0.01 0.00 0.00 57.00 57.27 1ksn n GLN 16 Cb 0.46 -4.58 -0.02 0.00 1.02 0.00 0.00 30.24 27.12 1ksn n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ksn n ASN 17 N -1.02 -3.78 -4.21 1.08 2.85 -1.26 -5.02 115.26 103.90 1ksn n ASN 17 Ca -0.03 0.08 -0.12 0.00 -0.11 0.00 0.00 54.58 54.40 1ksn n ASN 17 Cb 0.55 -2.76 -0.10 0.00 1.24 0.00 0.00 39.78 38.71 1ksn n ASN 17 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1ksn s SER 18 N -2.64 0.75 -0.14 1.20 0.15 -1.15 -5.06 113.70 106.82 1ksn s SER 18 Ca 0.00 -1.23 -0.07 0.00 0.70 0.00 0.00 55.95 55.35 1ksn s SER 18 Cb 0.00 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1ksn s SER 18 CO 0.00 -0.68 0.11 -0.69 1.20 0.00 0.00 173.24 173.19 1ksn s VAL 19 N -3.87 5.27 -0.09 4.45 1.01 -1.26 -0.64 120.40 125.26 1ksn s VAL 19 Ca 0.27 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1ksn s VAL 19 Cb 0.07 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1ksn s VAL 19 CO 0.05 0.57 -0.12 0.54 0.00 0.00 0.00 175.10 176.14 1ksn s VAL 20 N -0.63 1.22 0.17 2.92 0.11 0.25 -4.91 120.40 119.53 1ksn s VAL 20 Ca 0.12 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 1ksn s VAL 20 Cb -0.12 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1ksn s VAL 20 CO 0.02 0.38 0.31 0.00 -3.33 0.00 0.00 175.10 172.48 1ksn s SER 22 N -3.32 -0.09 0.18 0.00 1.04 -0.06 -4.94 113.70 106.52 1ksn s SER 22 Ca 0.35 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.90 1ksn s SER 22 Cb -0.11 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 1ksn s SER 22 CO 0.29 -1.12 -0.06 0.00 0.98 0.00 0.00 173.24 173.32 1ksn s ALA 24 N -3.37 0.78 0.08 0.00 0.00 -1.26 -4.90 121.76 113.08 1ksn s ALA 24 Ca 0.22 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 1ksn s ALA 24 Cb 0.04 -2.89 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 1ksn s ALA 24 CO 0.04 -3.44 1.23 1.03 0.00 0.00 0.00 175.76 174.62 1ksn s ARG 25 N -5.42 4.42 0.00 0.00 0.52 -1.26 -2.78 118.95 114.43 1ksn s ARG 25 Ca 0.71 1.83 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 1ksn s ARG 25 Cb -0.10 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1ksn s ARG 25 CO 0.56 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1ksn n GLY 26 N 3.14 0.79 3.32 -3.53 0.00 -1.26 -4.70 105.19 102.94 1ksn n GLY 26 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1ksn n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ksn s TYR 27 N -2.00 1.60 -0.01 1.61 1.51 -1.12 0.11 117.35 119.05 1ksn s TYR 27 Ca 0.00 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.47 1ksn s TYR 27 Cb 0.00 -0.76 -0.00 0.00 -0.11 0.00 0.00 41.96 41.09 1ksn s TYR 27 CO 0.00 0.29 -0.08 0.95 -1.11 0.00 0.00 175.55 175.60 1ksn s THR 28 N -2.98 0.64 0.18 -0.71 -4.23 0.46 -4.82 115.64 104.17 1ksn s THR 28 Ca 0.20 -0.32 -0.32 0.00 -1.18 0.00 0.00 61.69 60.08 1ksn s THR 28 Cb -0.00 -0.56 -0.12 0.00 1.34 0.00 0.00 72.50 73.16 1ksn s THR 28 CO 0.05 0.19 1.76 -0.11 -0.54 0.00 0.00 174.62 175.98 1ksn n LEU 29 N 3.08 4.01 -4.52 4.79 7.94 -1.26 -1.24 117.00 129.81 1ksn n LEU 29 Ca -0.16 1.03 -0.28 0.00 -1.11 0.00 0.00 56.01 55.50 1ksn n LEU 29 Cb 0.56 -1.56 0.24 0.00 0.53 0.00 0.00 43.42 43.19 1ksn n LEU 29 CO 0.25 0.18 0.54 0.00 -1.11 0.00 0.00 177.39 177.24 1ksn s ALA 30 N 1.71 -0.29 -0.52 1.96 0.00 0.85 -4.83 121.76 120.65 1ksn s ALA 30 Ca 0.78 -0.24 0.19 0.00 0.00 0.00 0.00 51.96 52.69 1ksn s ALA 30 Cb -0.50 -3.20 0.89 0.00 0.00 0.00 0.00 23.12 20.31 1ksn s ALA 30 CO 0.34 -3.72 1.59 -0.25 0.00 0.00 0.00 175.76 173.72 1ksn n ASP 31 N -4.82 0.48 -0.42 0.00 8.00 -1.26 -1.23 116.55 117.30 1ksn n ASP 31 Ca 0.03 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.32 1ksn n ASP 31 Cb 0.55 -0.74 0.44 0.00 -0.02 0.00 0.00 41.12 41.35 1ksn n ASP 31 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ksn n ASN 32 N -2.07 1.41 -0.33 -2.24 0.23 -1.26 -4.94 115.26 106.06 1ksn n ASN 32 Ca 0.01 -1.30 -0.04 0.00 -0.53 0.00 0.00 54.58 52.72 1ksn n ASN 32 Cb 0.14 0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 37.88 1ksn n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ksn n GLY 33 N 1.25 0.66 1.03 4.83 0.00 -0.36 -4.82 105.19 107.77 1ksn n GLY 33 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ksn n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ksn n LYS 34 N -2.00 0.00 -2.21 1.61 5.02 -1.26 -4.11 118.16 115.22 1ksn n LYS 34 Ca -0.04 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 1ksn n LYS 34 Cb 0.25 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 1ksn n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ksn s ALA 35 N -1.82 2.72 -0.19 7.82 0.00 -1.26 -1.51 121.76 127.52 1ksn s ALA 35 Ca 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 1ksn s ALA 35 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ksn s ALA 35 CO 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 175.76 174.96 1ksn s ILE 37 N 1.10 4.54 0.43 0.00 -1.09 -0.37 -4.87 121.20 120.94 1ksn s ILE 37 Ca 0.01 -0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.06 1ksn s ILE 37 Cb -0.15 -3.07 -0.09 0.00 -1.58 0.00 0.00 42.46 37.57 1ksn s ILE 37 CO -0.01 0.42 1.46 -2.65 -1.23 0.00 0.00 174.94 172.93 1ksn n PRO 38 N 4.03 2.42 0.11 2.79 -0.02 -1.26 -0.40 135.00 142.66 1ksn n PRO 38 Ca -0.16 0.86 0.04 0.00 -2.02 0.00 0.00 63.50 62.21 1ksn n PRO 38 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1ksn n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ksn h THR 39 N 2.53 0.55 -1.58 3.45 1.03 0.51 -3.46 112.91 115.95 1ksn h THR 39 Ca -0.51 -1.87 0.00 0.00 -0.01 0.00 0.00 66.41 64.02 1ksn h THR 39 Cb 1.26 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 70.48 1ksn h THR 39 CO 0.62 0.31 0.00 0.61 -0.01 0.00 0.00 175.52 177.05 1ksn n GLY 40 N 1.26 2.85 3.82 2.99 0.00 -1.26 -5.08 105.19 109.76 1ksn n GLY 40 Ca -0.02 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1ksn n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ksn s PRO 41 N -0.73 4.01 -1.09 1.61 0.05 -1.26 -4.19 135.00 133.39 1ksn s PRO 41 Ca 0.00 1.16 -0.04 0.00 0.05 0.00 0.00 61.00 62.17 1ksn s PRO 41 Cb 0.00 -2.14 -0.04 0.00 0.05 0.00 0.00 34.50 32.37 1ksn s PRO 41 CO 0.00 -0.23 0.94 0.66 0.05 0.00 0.00 177.00 178.42 1ksn n TYR 42 N -0.98 -2.33 -1.31 0.56 4.01 -1.26 -4.99 117.16 110.86 1ksn n TYR 42 Ca 0.08 0.88 -0.30 0.00 -0.16 0.00 0.00 57.90 58.39 1ksn n TYR 42 Cb 0.54 -4.46 0.12 0.00 -0.31 0.00 0.00 39.34 35.22 1ksn n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ksn s PRO 43 N -4.74 1.69 0.75 -0.72 0.04 -1.26 -4.97 135.00 125.79 1ksn s PRO 43 Ca 0.28 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.04 1ksn s PRO 43 Cb -0.04 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1ksn s PRO 43 CO 0.73 -1.95 1.14 0.00 0.04 0.00 0.00 177.00 176.96 1ksn n GLY 45 N -0.28 0.75 3.33 0.00 0.00 -1.26 -4.98 105.19 102.76 1ksn n GLY 45 Ca 0.11 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ksn n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ksn s LYS 46 N -2.32 3.34 0.16 1.61 -0.14 -1.22 -5.08 119.74 116.09 1ksn s LYS 46 Ca 0.00 -0.70 -0.31 0.00 -1.36 0.00 0.00 55.97 53.61 1ksn s LYS 46 Cb 0.00 -2.67 -0.08 0.00 -1.68 0.00 0.00 37.83 33.39 1ksn s LYS 46 CO 0.00 0.11 1.38 -0.65 -0.76 0.00 0.00 175.35 175.43 1ksn s GLN 47 N 0.60 4.33 -0.15 1.68 -0.21 -1.26 -4.90 119.66 119.75 1ksn s GLN 47 Ca -0.07 2.10 -0.29 0.00 0.02 0.00 0.00 55.36 57.12 1ksn s GLN 47 Cb -0.16 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 1ksn s GLN 47 CO 0.03 -0.38 1.71 0.95 -2.12 0.00 0.00 175.29 175.47 1ksn s THR 48 N 0.68 3.55 -0.70 -0.19 -4.23 -1.26 -4.87 115.64 108.62 1ksn s THR 48 Ca 0.62 0.64 0.25 0.00 -1.18 0.00 0.00 61.69 62.01 1ksn s THR 48 Cb -0.38 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.01 1ksn s THR 48 CO 0.34 -0.17 1.37 0.18 -0.54 0.00 0.00 174.62 175.80 1ksn n LEU 49 N 8.24 0.66 0.00 4.79 4.77 -1.26 -5.24 117.00 128.96 1ksn n LEU 49 Ca 0.19 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1ksn n LEU 49 Cb 0.44 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1ksn n LEU 49 CO 0.64 -0.03 0.00 -1.84 -1.33 0.00 0.00 177.39 174.83