#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 -3.37 -0.18 -1.04 -1.26 -4.74 114.28 103.69 1kls n THR 2 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1kls n THR 2 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1kls n THR 2 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1kls n TYR 3 N -0.68 3.70 -4.62 -1.42 4.02 -1.26 -4.98 117.16 111.93 1kls n TYR 3 Ca 0.00 -3.65 -0.28 0.00 -0.01 0.00 0.00 57.90 53.96 1kls n TYR 3 Cb 0.00 -1.15 -0.09 0.00 -0.02 0.00 0.00 39.34 38.08 1kls n TYR 3 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1kls s GLN 4 N -1.99 1.97 0.23 -0.72 0.74 -1.26 -1.66 119.66 116.97 1kls s GLN 4 Ca 0.31 -2.17 0.01 0.00 0.05 0.00 0.00 55.36 53.56 1kls s GLN 4 Cb 0.00 -1.33 -0.04 0.00 1.10 0.00 0.00 33.01 32.75 1kls s GLN 4 CO -0.03 -0.23 0.40 0.00 -0.55 0.00 0.00 175.29 174.88 1kls n GLN 6 N -1.04 2.90 0.00 0.00 -0.06 -1.26 -4.07 117.38 113.85 1kls n GLN 6 Ca -0.06 -3.86 0.00 0.00 -2.00 0.00 0.00 57.00 51.08 1kls n GLN 6 Cb 0.55 -2.02 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 1kls n GLN 6 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1kls n TYR 7 N -0.79 -0.07 -0.04 3.69 4.01 -1.26 -4.97 117.16 117.73 1kls n TYR 7 Ca 0.35 0.01 -0.09 0.00 -0.16 0.00 0.00 57.90 58.01 1kls n TYR 7 Cb 0.89 0.33 -0.03 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 -3.49 0.00 -4.35 0.00 2.13 -1.26 -5.07 120.64 108.60 1kls n GLU 9 Ca -0.16 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.31 1kls n GLU 9 Cb 0.55 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.16 1kls n GLU 9 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1kls s LEU 10 N 0.00 3.49 0.08 4.31 0.20 -1.26 -4.83 118.68 120.66 1kls s LEU 10 Ca 0.00 0.04 0.07 0.00 0.69 0.00 0.00 54.13 54.94 1kls s LEU 10 Cb 0.00 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 1kls s LEU 10 CO 0.00 0.29 -0.16 -0.60 -0.29 0.00 0.00 176.35 175.59 1kls s ARG 11 N -0.34 2.02 -0.02 1.98 3.52 -1.26 -0.33 118.95 124.51 1kls s ARG 11 Ca 0.07 -1.04 -0.01 0.00 -0.13 0.00 0.00 55.73 54.62 1kls s ARG 11 Cb -0.12 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.05 1kls s ARG 11 CO 0.02 0.52 -0.02 0.43 -0.81 0.00 0.00 175.30 175.44 1kls n SER 12 N 1.12 0.75 0.00 -2.12 7.64 -0.67 -5.01 113.62 115.34 1kls n SER 12 Ca -0.15 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1kls n SER 12 Cb 0.52 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1kls n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kls n ALA 13 N -3.00 0.00 -4.46 -0.43 0.00 -1.09 -5.03 120.51 106.51 1kls n ALA 13 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 1kls n ALA 13 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1kls n ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kls n ASP 14 N 0.46 2.61 -4.60 0.00 8.00 -1.26 -4.19 116.55 117.57 1kls n ASP 14 Ca 0.00 -2.54 -0.24 0.00 0.71 0.00 0.00 54.79 52.72 1kls n ASP 14 Cb 0.00 0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.36 1kls n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1kls s SER 15 N -2.91 4.22 -0.46 -2.24 0.15 -1.26 -4.28 113.70 106.93 1kls s SER 15 Ca 0.03 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 55.87 1kls s SER 15 Cb 0.00 -0.62 0.45 0.00 -1.71 0.00 0.00 66.02 64.14 1kls s SER 15 CO 0.02 -0.07 1.52 -1.20 1.20 0.00 0.00 173.24 174.71 1kls n SER 16 N -0.86 6.00 -0.05 5.45 7.64 -1.26 -4.91 113.62 125.62 1kls n SER 16 Ca -0.05 -3.77 -0.15 0.00 1.01 0.00 0.00 58.87 55.91 1kls n SER 16 Cb 0.60 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1kls n SER 16 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1kls h ASN 17 N 2.18 0.81 0.02 6.43 4.21 -2.01 -2.77 115.58 124.45 1kls h ASN 17 Ca 0.46 -0.57 0.02 0.00 1.21 0.00 0.00 56.30 57.41 1kls h ASN 17 Cb 1.18 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 1kls h ASN 17 CO 1.09 1.24 -0.12 0.25 -1.29 0.00 0.00 177.43 178.59 1kls h LEU 18 N 0.42 -0.36 -0.50 1.61 5.85 -1.91 -1.25 115.31 119.17 1kls h LEU 18 Ca -0.01 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1kls h LEU 18 Cb 1.14 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.22 1kls h LEU 18 CO 0.11 -0.18 -0.51 0.50 -0.34 0.00 0.00 178.44 178.03 1kls h LYS 19 N -0.22 -0.30 -0.29 1.25 1.63 -1.89 -0.65 116.57 116.10 1kls h LYS 19 Ca 0.04 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.92 1kls h LYS 19 Cb 0.27 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.89 1kls h LYS 19 CO -0.11 -0.20 -0.42 1.15 -3.45 0.00 0.00 179.45 176.42 1kls h THR 20 N -0.31 0.13 -0.12 1.00 2.02 -1.19 -2.15 112.91 112.29 1kls h THR 20 Ca 0.12 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.31 1kls h THR 20 Cb 0.57 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1kls h THR 20 CO -0.64 0.00 -0.14 -0.74 0.37 0.00 0.00 175.52 174.36 1kls h HIS 21 N -0.39 -0.43 -0.90 3.16 -0.00 0.04 -2.08 115.15 114.55 1kls h HIS 21 Ca 0.11 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.61 1kls h HIS 21 Cb 0.60 0.20 -0.12 0.00 -0.00 0.00 0.00 27.41 28.09 1kls h HIS 21 CO -0.56 -0.12 -0.45 -0.89 -0.00 0.00 0.00 177.93 175.91 1kls n ILE 22 N -3.39 -0.55 -0.36 6.26 2.08 -0.50 -0.79 119.36 122.10 1kls n ILE 22 Ca -0.01 2.14 0.01 0.00 0.56 0.00 0.00 62.75 65.45 1kls n ILE 22 Cb 0.08 -2.72 0.15 0.00 -0.75 0.00 0.00 39.64 36.40 1kls n ILE 22 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1kls h LYS 23 N 0.00 1.18 0.03 0.38 1.79 -1.01 0.21 116.57 119.14 1kls h LYS 23 Ca 0.22 -0.07 -0.30 0.00 -2.18 0.00 0.00 60.65 58.32 1kls h LYS 23 Cb 0.44 -0.27 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1kls h LYS 23 CO -0.86 0.78 -1.65 1.79 -1.08 0.00 0.00 179.45 178.42 1kls h THR 24 N 1.21 0.94 0.00 -0.16 1.35 -0.53 -2.65 112.91 113.07 1kls h THR 24 Ca 0.40 -2.74 -0.15 0.00 -0.55 0.00 0.00 66.41 63.38 1kls h THR 24 Cb 0.06 2.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.97 1kls h THR 24 CO -0.14 0.64 -1.57 0.29 -0.25 0.00 0.00 175.52 174.49 1kls n LYS 25 N -3.19 0.63 -0.92 4.72 4.76 0.03 -4.34 118.16 119.85 1kls n LYS 25 Ca -0.17 0.12 0.05 0.00 -2.87 0.00 0.00 58.31 55.44 1kls n LYS 25 Cb 1.04 -1.73 0.14 0.00 -1.84 0.00 0.00 35.03 32.63 1kls n LYS 25 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1kls n HIS 26 N -2.75 0.00 -0.29 2.13 8.25 0.72 -4.92 115.22 118.35 1kls n HIS 26 Ca -0.11 -1.11 0.25 0.00 -0.26 0.00 0.00 57.72 56.50 1kls n HIS 26 Cb 0.80 -0.21 0.43 0.00 1.12 0.00 0.00 29.99 32.13 1kls n HIS 26 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1kls n SER 27 N -0.52 0.14 -4.96 0.41 2.88 -1.00 -4.48 113.62 106.10 1kls n SER 27 Ca 0.14 0.91 -0.22 0.00 -1.33 0.00 0.00 58.87 58.37 1kls n SER 27 Cb 0.86 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1kls n SER 27 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1kls s LYS 28 N -4.69 3.22 -0.02 -1.46 -0.14 -1.26 -5.03 119.74 110.36 1kls s LYS 28 Ca -0.05 -0.55 0.06 0.00 -1.36 0.00 0.00 55.97 54.07 1kls s LYS 28 Cb 0.20 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.67 1kls s LYS 28 CO 0.52 -0.05 -0.19 -2.00 -0.76 0.00 0.00 175.35 172.87 1kls s GLU 29 N -4.39 2.26 0.00 1.68 2.12 -1.26 -5.13 118.70 113.97 1kls s GLU 29 Ca 0.44 -0.85 0.11 0.00 0.36 0.00 0.00 54.97 55.04 1kls s GLU 29 Cb -0.10 -2.21 0.09 0.00 0.26 0.00 0.00 34.13 32.17 1kls s GLU 29 CO 0.36 0.58 0.85 1.17 -0.54 0.00 0.00 175.26 177.68