#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kls n THR 2 N 0.00 0.00 -4.86 0.58 -2.24 -1.26 -4.90 114.28 101.60 1kls n THR 2 Ca 0.00 -2.02 -0.33 0.00 -2.27 0.00 0.00 64.05 59.43 1kls n THR 2 Cb 0.00 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 68.82 1kls n THR 2 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1kls s TYR 3 N -2.86 2.74 0.24 4.78 1.51 -0.30 -5.00 117.35 118.47 1kls s TYR 3 Ca 0.18 -0.41 0.11 0.00 -1.01 0.00 0.00 57.07 55.94 1kls s TYR 3 Cb 0.01 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1kls s TYR 3 CO 0.13 -0.02 -0.21 -1.14 -1.11 0.00 0.00 175.55 173.20 1kls s GLN 4 N -0.20 1.57 0.05 -0.62 2.00 -1.26 -1.56 119.66 119.64 1kls s GLN 4 Ca 0.00 -1.65 -0.01 0.00 -2.00 0.00 0.00 55.36 51.71 1kls s GLN 4 Cb -0.13 -1.72 -0.04 0.00 0.80 0.00 0.00 33.01 31.91 1kls s GLN 4 CO 0.03 0.34 0.21 0.00 -0.50 0.00 0.00 175.29 175.37 1kls n GLN 6 N 0.40 3.52 0.02 0.00 0.00 -1.26 -4.51 117.38 115.55 1kls n GLN 6 Ca -0.06 -4.25 0.00 0.00 0.00 0.00 0.00 57.00 52.69 1kls n GLN 6 Cb 0.51 -2.27 0.00 0.00 0.00 0.00 0.00 30.24 28.48 1kls n GLN 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1kls n TYR 7 N -0.63 -0.36 0.00 2.61 4.01 -1.26 -5.08 117.16 116.44 1kls n TYR 7 Ca 0.43 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 1kls n TYR 7 Cb 0.84 0.34 0.00 0.00 -0.31 0.00 0.00 39.34 40.22 1kls n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1kls n GLU 9 N 0.00 1.05 -4.25 0.00 1.02 -1.26 -4.89 120.64 112.31 1kls n GLU 9 Ca 0.00 -2.78 -0.35 0.00 -0.02 0.00 0.00 57.16 54.00 1kls n GLU 9 Cb 0.00 -1.20 -0.09 0.00 -0.02 0.00 0.00 31.44 30.13 1kls n GLU 9 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1kls s LEU 10 N -2.66 3.76 0.03 -4.62 2.96 -1.26 -4.93 118.68 111.96 1kls s LEU 10 Ca 0.30 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1kls s LEU 10 Cb 0.37 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 1kls s LEU 10 CO -0.05 0.37 -0.08 0.00 -1.32 0.00 0.00 176.35 175.27 1kls s ARG 11 N -0.82 0.57 0.24 1.98 1.04 -1.26 -0.19 118.95 120.51 1kls s ARG 11 Ca 0.13 -0.60 -0.01 0.00 -1.04 0.00 0.00 55.73 54.21 1kls s ARG 11 Cb -0.12 -0.44 -0.03 0.00 -2.04 0.00 0.00 34.95 32.32 1kls s ARG 11 CO 0.03 0.10 0.22 0.45 -0.04 0.00 0.00 175.30 176.06 1kls s SER 12 N -1.09 0.40 0.02 -2.89 0.15 -0.60 -4.99 113.70 104.70 1kls s SER 12 Ca -0.04 -1.39 0.23 0.00 0.70 0.00 0.00 55.95 55.44 1kls s SER 12 Cb -0.07 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1kls s SER 12 CO 0.00 -0.94 1.04 0.00 1.20 0.00 0.00 173.24 174.54 1kls n ALA 13 N -0.36 3.76 -4.22 5.45 0.00 -1.26 -1.14 120.51 122.73 1kls n ALA 13 Ca 0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1kls n ALA 13 Cb 0.65 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1kls n ALA 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1kls n ASP 14 N -1.77 2.31 -0.01 0.00 5.68 -1.26 -4.73 116.55 116.77 1kls n ASP 14 Ca 0.03 -1.85 -0.01 0.00 -0.50 0.00 0.00 54.79 52.46 1kls n ASP 14 Cb 0.40 0.18 -0.01 0.00 -1.14 0.00 0.00 41.12 40.55 1kls n ASP 14 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1kls n SER 15 N -1.23 4.05 -0.20 -1.12 2.88 -1.26 -4.53 113.62 112.21 1kls n SER 15 Ca -0.07 -0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.56 1kls n SER 15 Cb 0.25 0.07 0.18 0.00 -0.75 0.00 0.00 64.21 63.96 1kls n SER 15 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1kls n SER 16 N -2.45 -0.05 0.07 -3.46 3.41 -1.26 0.54 113.62 110.42 1kls n SER 16 Ca -0.02 0.99 -0.18 0.00 -0.26 0.00 0.00 58.87 59.40 1kls n SER 16 Cb 0.52 -0.37 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 1kls n SER 16 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kls h ASN 17 N 0.00 0.45 -0.93 4.04 7.08 -2.01 -3.33 115.58 120.88 1kls h ASN 17 Ca 0.36 -0.64 0.21 0.00 -3.08 0.00 0.00 56.30 53.15 1kls h ASN 17 Cb 0.77 -0.15 -0.12 0.00 -2.08 0.00 0.00 38.32 36.74 1kls h ASN 17 CO -0.54 1.53 0.48 0.25 -2.08 0.00 0.00 177.43 177.07 1kls h LEU 18 N 0.08 0.51 -0.18 6.14 5.85 -0.18 0.16 115.31 127.68 1kls h LEU 18 Ca -0.27 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1kls h LEU 18 Cb 2.04 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 43.07 1kls h LEU 18 CO 0.17 0.10 -0.26 0.50 -0.34 0.00 0.00 178.44 178.61 1kls h LYS 19 N 0.53 -0.29 0.28 1.25 3.11 -1.51 -2.12 116.57 117.82 1kls h LYS 19 Ca 0.57 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.42 1kls h LYS 19 Cb 1.02 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1kls h LYS 19 CO -0.47 -0.19 -0.13 1.15 -2.81 0.00 0.00 179.45 176.99 1kls h THR 20 N -0.30 0.74 -0.77 1.00 2.02 -1.00 -3.12 112.91 111.47 1kls h THR 20 Ca 0.12 -0.13 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1kls h THR 20 Cb 0.48 0.82 -0.10 0.00 -1.74 0.00 0.00 68.15 67.60 1kls h THR 20 CO -0.35 0.03 -0.43 1.57 0.37 0.00 0.00 175.52 176.70 1kls n HIS 21 N -5.22 -0.29 0.14 3.16 -0.00 0.29 -0.53 115.22 112.77 1kls n HIS 21 Ca -0.10 0.96 -0.15 0.00 -0.00 0.00 0.00 57.72 58.43 1kls n HIS 21 Cb 0.19 -0.59 -0.08 0.00 -0.00 0.00 0.00 29.99 29.51 1kls n HIS 21 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1kls h ILE 22 N 0.00 0.13 -0.95 3.57 2.04 -1.38 0.60 117.51 121.53 1kls h ILE 22 Ca 0.14 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.28 1kls h ILE 22 Cb 0.34 0.13 -0.14 0.00 -0.74 0.00 0.00 36.82 36.41 1kls h ILE 22 CO -0.73 0.00 0.44 0.50 0.00 0.00 0.00 178.15 178.36 1kls h LYS 23 N -0.71 0.30 0.13 2.37 3.64 -0.75 -0.66 116.57 120.88 1kls h LYS 23 Ca 0.01 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.03 1kls h LYS 23 Cb 0.71 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1kls h LYS 23 CO -0.21 0.20 -1.80 1.15 -2.27 0.00 0.00 179.45 176.52 1kls h THR 24 N 0.31 0.85 -0.02 1.00 2.02 -0.53 -2.68 112.91 113.87 1kls h THR 24 Ca 0.65 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1kls h THR 24 Cb 1.38 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 1kls h THR 24 CO -0.61 0.82 0.00 0.29 0.37 0.00 0.00 175.52 176.40 1kls n LYS 25 N -3.45 1.00 0.00 6.66 5.02 0.15 -4.05 118.16 123.49 1kls n LYS 25 Ca -0.25 -1.36 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1kls n LYS 25 Cb 1.06 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 1kls n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kls n HIS 26 N 0.80 0.00 -0.02 2.13 8.25 -0.29 -4.97 115.22 121.13 1kls n HIS 26 Ca 0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.53 1kls n HIS 26 Cb 0.36 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.47 1kls n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1kls n SER 27 N -2.24 0.45 -3.16 0.41 3.41 -1.01 -5.05 113.62 106.44 1kls n SER 27 Ca 0.00 0.28 -0.14 0.00 -0.26 0.00 0.00 58.87 58.74 1kls n SER 27 Cb 0.36 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1kls n SER 27 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1kls n LYS 28 N -2.87 1.41 -1.99 4.33 2.85 -1.01 -5.04 118.16 115.84 1kls n LYS 28 Ca -0.02 -1.65 -0.31 0.00 -1.05 0.00 0.00 58.31 55.29 1kls n LYS 28 Cb 0.08 0.47 0.03 0.00 -0.65 0.00 0.00 35.03 34.96 1kls n LYS 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1kls n GLU 29 N -0.56 3.19 0.00 -1.58 4.71 -1.26 -3.98 120.64 121.16 1kls n GLU 29 Ca -0.09 -3.95 0.00 0.00 -0.01 0.00 0.00 57.16 53.11 1kls n GLU 29 Cb 0.29 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.45 1kls n GLU 29 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39