#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3m s VAL 2 N 0.00 0.00 -0.34 -2.13 1.01 -1.26 -5.08 120.40 112.60 1k3m s VAL 2 Ca 0.00 -1.74 0.15 0.00 0.00 0.00 0.00 61.98 60.39 1k3m s VAL 2 Cb 0.00 -2.38 0.44 0.00 0.00 0.00 0.00 36.38 34.44 1k3m s VAL 2 CO 0.00 0.00 1.16 0.59 0.00 0.00 0.00 175.10 176.85 1k3m n ASN 3 N -0.38 0.06 0.02 3.32 3.02 -1.26 -4.94 115.26 115.10 1k3m n ASN 3 Ca 0.01 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 1k3m n ASN 3 Cb 0.64 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 1k3m n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k3m n GLN 4 N -0.45 0.00 -3.47 3.52 6.02 -1.26 -5.05 117.38 116.69 1k3m n GLN 4 Ca 0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.77 1k3m n GLN 4 Cb 0.83 -0.14 -0.12 0.00 1.02 0.00 0.00 30.24 31.83 1k3m n GLN 4 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1k3m s HIS 5 N -2.00 0.01 -0.32 1.08 3.76 -1.26 -5.10 115.29 111.46 1k3m s HIS 5 Ca 0.00 -0.67 -0.03 0.00 -0.15 0.00 0.00 55.06 54.22 1k3m s HIS 5 Cb 0.00 -0.70 0.05 0.00 1.11 0.00 0.00 32.58 33.04 1k3m s HIS 5 CO 0.00 -0.87 0.04 -1.17 -0.85 0.00 0.00 174.74 171.89 1k3m s LEU 6 N 2.08 4.11 0.05 0.89 2.96 -1.26 -4.87 118.68 122.63 1k3m s LEU 6 Ca 0.10 -1.30 -0.08 0.00 -0.22 0.00 0.00 54.13 52.64 1k3m s LEU 6 Cb -0.16 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1k3m s LEU 6 CO -0.30 -0.30 0.15 0.00 -1.32 0.00 0.00 176.35 174.58 1k3m n GLY 8 N 0.53 1.38 0.29 0.00 0.00 -1.26 -1.06 105.19 105.07 1k3m n GLY 8 Ca -0.18 0.62 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 1k3m n GLY 8 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1k3m h SER 9 N 0.00 -0.56 -1.29 1.61 0.87 -1.99 -2.15 113.55 110.04 1k3m h SER 9 Ca 0.00 -0.07 0.37 0.00 -1.23 0.00 0.00 61.79 60.86 1k3m h SER 9 Cb 0.00 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 1k3m h SER 9 CO 0.00 -0.22 0.92 0.44 -0.53 0.00 0.00 176.83 177.44 1k3m h ASP 10 N -0.94 0.06 1.69 6.23 3.32 -1.45 2.15 116.42 127.50 1k3m h ASP 10 Ca -0.07 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1k3m h ASP 10 Cb 0.60 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1k3m h ASP 10 CO 0.11 -0.00 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.25 1k3m h LEU 11 N 0.05 0.00 0.03 1.55 3.38 -1.28 -2.89 115.31 116.15 1k3m h LEU 11 Ca 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.61 1k3m h LEU 11 Cb 2.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.17 1k3m h LEU 11 CO -0.06 0.16 -0.01 0.58 0.09 0.00 0.00 178.44 179.19 1k3m h VAL 12 N 0.00 1.24 -0.07 1.22 2.07 0.41 0.56 116.25 121.68 1k3m h VAL 12 Ca -0.01 -1.78 0.02 0.00 0.82 0.00 0.00 66.70 65.75 1k3m h VAL 12 Cb 1.13 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1k3m h VAL 12 CO 0.02 0.40 0.05 -0.33 0.02 0.00 0.00 177.57 177.73 1k3m h GLU 13 N -0.94 0.00 0.19 1.57 5.08 -1.24 0.29 114.58 119.53 1k3m h GLU 13 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1k3m h GLU 13 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1k3m h GLU 13 CO 0.01 0.00 -1.72 0.00 -1.00 0.00 0.00 179.01 176.29 1k3m h ALA 14 N 1.96 0.13 -0.23 3.43 0.00 -1.54 -2.75 119.26 120.26 1k3m h ALA 14 Ca 0.03 -1.12 0.05 0.00 0.00 0.00 0.00 54.91 53.88 1k3m h ALA 14 Cb 0.14 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1k3m h ALA 14 CO -0.00 1.00 -0.08 -0.07 0.00 0.00 0.00 179.25 180.10 1k3m h LEU 15 N 0.11 -0.27 -0.89 0.00 3.38 0.14 1.26 115.31 119.03 1k3m h LEU 15 Ca -0.33 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1k3m h LEU 15 Cb 2.11 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.98 1k3m h LEU 15 CO 0.19 -0.10 0.53 0.22 0.09 0.00 0.00 178.44 179.36 1k3m h TYR 16 N -0.03 1.18 -0.01 1.13 3.20 -0.59 5.37 116.97 127.23 1k3m h TYR 16 Ca 0.11 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1k3m h TYR 16 Cb 0.21 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1k3m h TYR 16 CO -0.25 0.79 -0.19 1.25 -1.64 0.00 0.00 178.16 178.12 1k3m h LEU 17 N 1.23 0.01 0.00 2.82 5.85 -0.80 0.16 115.31 124.58 1k3m h LEU 17 Ca 0.32 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1k3m h LEU 17 Cb -0.04 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1k3m h LEU 17 CO -0.06 0.20 -0.00 0.58 -0.34 0.00 0.00 178.44 178.82 1k3m h VAL 18 N 0.01 0.40 -0.11 1.05 2.07 0.53 -3.29 116.25 116.92 1k3m h VAL 18 Ca 0.00 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.25 1k3m h VAL 18 Cb 0.34 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1k3m h VAL 18 CO 0.02 0.14 0.31 0.00 0.02 0.00 0.00 177.57 178.06 1k3m n GLY 20 N -1.29 -0.57 3.23 0.00 0.00 0.53 -0.75 105.19 106.34 1k3m n GLY 20 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1k3m n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k3m n GLU 21 N -4.29 0.00 -0.33 1.61 2.13 -1.25 -4.78 120.64 113.72 1k3m n GLU 21 Ca -0.21 0.00 0.35 0.00 0.66 0.00 0.00 57.16 57.95 1k3m n GLU 21 Cb 0.64 0.00 0.58 0.00 0.27 0.00 0.00 31.44 32.93 1k3m n GLU 21 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1k3m h ARG 22 N 0.00 0.00 0.00 5.31 2.43 -1.28 -3.46 114.38 117.38 1k3m h ARG 22 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1k3m h ARG 22 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1k3m h ARG 22 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1k3m n GLY 23 N -1.76 -2.12 2.03 2.80 0.00 -1.26 -5.05 105.19 99.82 1k3m n GLY 23 Ca 0.28 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 1k3m n GLY 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1k3m n PHE 24 N -2.13 0.32 -1.94 1.61 -1.74 -1.26 -4.90 117.46 107.43 1k3m n PHE 24 Ca 0.00 -1.50 -0.39 0.00 -0.56 0.00 0.00 57.45 54.99 1k3m n PHE 24 Cb 0.00 -0.08 0.03 0.00 1.52 0.00 0.00 39.48 40.95 1k3m n PHE 24 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 1k3m n PHE 25 N -0.62 2.86 -1.85 2.97 -1.74 -1.26 -4.18 117.46 113.64 1k3m n PHE 25 Ca -0.07 -2.31 -0.01 0.00 -0.56 0.00 0.00 57.45 54.50 1k3m n PHE 25 Cb 0.37 -1.21 -0.00 0.00 1.52 0.00 0.00 39.48 40.15 1k3m n PHE 25 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 1k3m n TYR 26 N -0.39 -0.10 -2.67 2.97 9.36 -1.26 -5.14 117.16 119.94 1k3m n TYR 26 Ca 0.53 -0.15 -0.41 0.00 3.32 0.00 0.00 57.90 61.20 1k3m n TYR 26 Cb 0.26 0.42 -0.05 0.00 -0.63 0.00 0.00 39.34 39.33 1k3m n TYR 26 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1k3m s THR 27 N 0.01 4.08 -0.30 2.97 -1.32 -1.26 -5.02 115.64 114.79 1k3m s THR 27 Ca 0.00 1.92 -0.08 0.00 -1.21 0.00 0.00 61.69 62.33 1k3m s THR 27 Cb 0.02 -4.22 0.00 0.00 -1.51 0.00 0.00 72.50 66.79 1k3m s THR 27 CO -0.01 0.39 0.11 -0.54 -2.21 0.00 0.00 174.62 172.36 1k3m s LYS 28 N -0.74 3.19 0.79 7.08 -0.14 -1.26 -5.09 119.74 123.57 1k3m s LYS 28 Ca 0.45 -0.80 -0.12 0.00 -1.36 0.00 0.00 55.97 54.14 1k3m s LYS 28 Cb -0.27 -3.45 0.07 0.00 -1.68 0.00 0.00 37.83 32.50 1k3m s LYS 28 CO 0.33 -0.43 1.10 -1.25 -0.76 0.00 0.00 175.35 174.34 1k3m s PRO 29 N 1.54 2.12 0.00 -1.68 0.04 -1.26 -5.28 135.00 130.49 1k3m s PRO 29 Ca 0.03 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1k3m s PRO 29 Cb -0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1k3m s PRO 29 CO 0.04 -1.58 0.00 -2.37 0.04 0.00 0.00 177.00 173.13