#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5r n GLU 6 N 0.00 -5.12 -4.07 -1.08 4.07 -1.26 -4.26 120.64 108.92 1k5r n GLU 6 Ca 0.00 3.69 -0.30 0.00 -0.06 0.00 0.00 57.16 60.49 1k5r n GLU 6 Cb 0.00 -4.56 -0.07 0.00 -0.06 0.00 0.00 31.44 26.75 1k5r n GLU 6 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1k5r n ILE 7 N 1.88 -1.15 0.00 6.31 0.13 -1.26 -4.91 119.36 120.36 1k5r n ILE 7 Ca 0.00 -0.45 0.00 0.00 -1.10 0.00 0.00 62.75 61.20 1k5r n ILE 7 Cb 0.00 -1.08 0.00 0.00 -0.84 0.00 0.00 39.64 37.72 1k5r n ILE 7 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1k5r n PRO 8 N -4.21 0.00 -1.91 9.51 -0.04 -1.26 -4.57 135.00 132.52 1k5r n PRO 8 Ca -0.25 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.12 1k5r n PRO 8 Cb 0.58 -0.22 -0.02 0.00 -0.04 0.00 0.00 33.50 33.80 1k5r n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1k5r n ASP 9 N 0.00 -2.81 -1.63 3.54 2.03 -1.26 -0.08 116.55 116.35 1k5r n ASP 9 Ca 0.00 0.25 -0.15 0.00 0.52 0.00 0.00 54.79 55.41 1k5r n ASP 9 Cb 0.00 -2.58 -0.05 0.00 -0.72 0.00 0.00 41.12 37.77 1k5r n ASP 9 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1k5r n ASP 10 N -0.95 -4.12 -3.55 1.67 8.00 -1.26 -4.90 116.55 111.44 1k5r n ASP 10 Ca -0.10 0.33 -0.22 0.00 0.71 0.00 0.00 54.79 55.51 1k5r n ASP 10 Cb 0.45 -3.72 -0.15 0.00 -0.02 0.00 0.00 41.12 37.69 1k5r n ASP 10 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k5r s VAL 11 N -2.38 -0.22 0.00 2.53 1.01 0.89 -5.15 120.40 117.09 1k5r s VAL 11 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1k5r s VAL 11 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1k5r s VAL 11 CO 0.00 -0.24 0.00 -0.81 0.00 0.00 0.00 175.10 174.05 1k5r n PRO 12 N 5.30 0.63 -1.54 2.72 -0.04 -1.26 -4.67 135.00 136.14 1k5r n PRO 12 Ca -0.06 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.96 1k5r n PRO 12 Cb 0.49 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 1k5r n PRO 12 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1k5r n LEU 13 N 0.00 1.06 -4.77 1.53 7.94 -1.26 -4.87 117.00 116.63 1k5r n LEU 13 Ca 0.00 1.11 -0.40 0.00 -1.11 0.00 0.00 56.01 55.61 1k5r n LEU 13 Cb 0.00 -1.21 -0.01 0.00 0.53 0.00 0.00 43.42 42.73 1k5r n LEU 13 CO 0.00 -1.92 0.99 -2.16 -1.11 0.00 0.00 177.39 173.19 1k5r s PRO 14 N -1.52 4.04 0.03 1.96 0.04 -1.26 -4.96 135.00 133.32 1k5r s PRO 14 Ca 0.61 2.23 -0.30 0.00 0.04 0.00 0.00 61.00 63.58 1k5r s PRO 14 Cb -0.71 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1k5r s PRO 14 CO 0.59 -0.46 1.07 0.00 0.04 0.00 0.00 177.00 178.24 1k5r s ALA 15 N -1.22 3.26 0.00 8.56 0.00 -1.26 -3.54 121.76 127.56 1k5r s ALA 15 Ca 0.55 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1k5r s ALA 15 Cb -0.40 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1k5r s ALA 15 CO 0.52 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.37 1k5r n GLY 16 N 3.04 0.91 3.55 0.00 0.00 -1.26 -5.07 105.19 106.36 1k5r n GLY 16 Ca 0.07 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 1k5r n GLY 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k5r s TRP 17 N -2.62 1.99 -0.49 1.61 0.52 -1.23 -4.52 118.94 114.19 1k5r s TRP 17 Ca 0.00 -1.00 0.06 0.00 0.02 0.00 0.00 56.10 55.19 1k5r s TRP 17 Cb 0.00 -1.39 0.21 0.00 -1.15 0.00 0.00 33.47 31.13 1k5r s TRP 17 CO 0.00 0.04 0.73 -1.91 0.02 0.00 0.00 176.95 175.83 1k5r n GLU 18 N -0.90 0.58 -0.90 4.98 4.07 -1.00 -5.07 120.64 122.41 1k5r n GLU 18 Ca -0.07 -2.11 -0.34 0.00 -0.06 0.00 0.00 57.16 54.58 1k5r n GLU 18 Cb 0.66 -1.48 0.08 0.00 -0.06 0.00 0.00 31.44 30.65 1k5r n GLU 18 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k5r n MET 19 N 2.48 -0.15 0.00 5.31 0.00 -1.00 -4.31 117.12 119.45 1k5r n MET 19 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.84 1k5r n MET 19 Cb 0.57 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 32.36 1k5r n MET 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k5r n ALA 20 N -3.06 0.00 -3.70 3.17 0.00 -0.74 -4.85 120.51 111.33 1k5r n ALA 20 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1k5r n ALA 20 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 1k5r n ALA 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1k5r s LYS 21 N 3.21 0.24 0.00 0.00 0.00 -1.26 -3.94 119.74 118.00 1k5r s LYS 21 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 55.97 56.54 1k5r s LYS 21 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 37.83 37.74 1k5r s LYS 21 CO 0.00 -0.16 0.00 0.25 0.00 0.00 0.00 175.35 175.44 1k5r n THR 22 N 4.19 0.00 0.46 3.79 -2.24 -1.26 -5.10 114.28 114.12 1k5r n THR 22 Ca -0.25 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.49 1k5r n THR 22 Cb 0.54 -0.47 0.03 0.00 -2.10 0.00 0.00 70.33 68.32 1k5r n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k5r n SER 23 N -0.81 3.47 0.00 3.42 7.64 -1.26 -5.14 113.62 120.95 1k5r n SER 23 Ca 0.00 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1k5r n SER 23 Cb 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1k5r n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k5r n GLY 25 N 0.34 0.00 5.00 0.23 0.00 -1.26 -5.28 105.19 104.23 1k5r n GLY 25 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1k5r n GLY 25 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k5r n GLN 26 N 0.00 0.00 -1.24 1.61 -0.06 -1.26 -4.90 117.38 111.53 1k5r n GLN 26 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.15 1k5r n GLN 26 Cb 0.00 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.13 1k5r n GLN 26 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1k5r n ARG 27 N 0.00 -2.48 -3.56 3.69 0.00 -1.26 -4.93 116.66 108.12 1k5r n ARG 27 Ca 0.00 1.79 -0.06 0.00 -0.00 0.00 0.00 57.85 59.58 1k5r n ARG 27 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 32.46 29.39 1k5r n ARG 27 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1k5r s TYR 28 N -2.86 -0.22 -2.05 -0.14 1.13 -1.25 -4.79 117.35 107.17 1k5r s TYR 28 Ca 0.00 0.14 0.11 0.00 -1.41 0.00 0.00 57.07 55.90 1k5r s TYR 28 Cb 0.00 0.52 0.39 0.00 -1.10 0.00 0.00 41.96 41.78 1k5r s TYR 28 CO 0.00 -0.35 1.29 1.19 -2.51 0.00 0.00 175.55 175.17 1k5r n PHE 29 N -0.15 0.25 -2.96 -3.49 3.72 -1.26 -1.80 117.46 111.77 1k5r n PHE 29 Ca -0.03 -0.13 -0.01 0.00 -0.05 0.00 0.00 57.45 57.23 1k5r n PHE 29 Cb 0.60 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.13 1k5r n PHE 29 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1k5r n LEU 30 N 0.08 -5.33 -2.91 4.37 0.00 -1.26 -2.38 117.00 109.58 1k5r n LEU 30 Ca 0.10 1.06 -0.31 0.00 0.00 0.00 0.00 56.01 56.86 1k5r n LEU 30 Cb 0.20 -2.28 -0.06 0.00 0.00 0.00 0.00 43.42 41.28 1k5r n LEU 30 CO 0.07 -2.56 2.39 -3.20 0.00 0.00 0.00 177.39 174.09 1k5r n ASN 31 N 1.46 7.35 -0.11 1.96 5.15 -0.73 -3.68 115.26 126.66 1k5r n ASN 31 Ca -0.06 -2.82 0.06 0.00 -0.60 0.00 0.00 54.58 51.15 1k5r n ASN 31 Cb 0.29 -1.41 0.39 0.00 -0.53 0.00 0.00 39.78 38.52 1k5r n ASN 31 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 1k5r h HIS 32 N 4.06 0.65 -0.91 1.20 2.07 -1.85 -1.83 115.15 118.53 1k5r h HIS 32 Ca 0.58 0.02 0.15 0.00 -2.85 0.00 0.00 60.37 58.27 1k5r h HIS 32 Cb 0.65 -0.22 -0.09 0.00 2.57 0.00 0.00 27.41 30.32 1k5r h HIS 32 CO 1.71 0.37 0.52 -0.84 -3.07 0.00 0.00 177.93 176.62 1k5r h ILE 33 N 0.66 0.77 0.00 6.12 -0.00 -1.82 -3.38 117.51 119.86 1k5r h ILE 33 Ca 0.25 -0.25 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1k5r h ILE 33 Cb 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 36.82 36.95 1k5r h ILE 33 CO -0.07 0.13 0.00 -0.67 -0.00 0.00 0.00 178.15 177.54 1k5r n ASP 34 N -4.79 0.00 0.00 2.16 2.03 -0.72 -5.06 116.55 110.17 1k5r n ASP 34 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1k5r n ASP 34 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1k5r n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k5r n GLN 35 N 0.00 0.00 0.00 -0.67 6.02 -1.05 -5.12 117.38 116.56 1k5r n GLN 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1k5r n GLN 35 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1k5r n GLN 35 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1k5r n THR 36 N 0.00 0.00 -3.69 5.09 -1.04 -1.21 -5.07 114.28 108.37 1k5r n THR 36 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1k5r n THR 36 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1k5r n THR 36 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1k5r s THR 37 N -2.62 -0.02 0.04 12.58 -4.23 -1.26 -1.77 115.64 118.36 1k5r s THR 37 Ca 0.00 0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.28 1k5r s THR 37 Cb 0.00 -0.68 -0.08 0.00 1.34 0.00 0.00 72.50 73.08 1k5r s THR 37 CO 0.00 0.03 1.78 0.42 -0.54 0.00 0.00 174.62 176.31 1k5r s THR 38 N 1.31 3.08 -0.20 3.99 -4.23 -1.26 -4.86 115.64 113.47 1k5r s THR 38 Ca -0.09 0.32 0.16 0.00 -1.18 0.00 0.00 61.69 60.90 1k5r s THR 38 Cb -0.07 -3.21 0.58 0.00 1.34 0.00 0.00 72.50 71.14 1k5r s THR 38 CO -0.12 -0.02 1.48 1.87 -0.54 0.00 0.00 174.62 177.29 1k5r n TRP 39 N 6.58 1.15 0.00 3.99 -0.00 -1.26 -4.26 117.44 123.64 1k5r n TRP 39 Ca 0.18 -0.90 0.00 0.00 -0.00 0.00 0.00 57.50 56.77 1k5r n TRP 39 Cb 0.41 -0.36 0.00 0.00 -0.00 0.00 0.00 31.31 31.36 1k5r n TRP 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1k5r n GLN 40 N -0.39 0.00 -3.65 5.87 10.64 -1.26 -5.08 117.38 123.52 1k5r n GLN 40 Ca 0.23 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.42 1k5r n GLN 40 Cb 0.96 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 30.28 1k5r n GLN 40 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1k5r s ASP 41 N -0.80 -0.10 0.42 2.61 1.47 -1.26 -5.02 116.67 113.99 1k5r s ASP 41 Ca 0.00 0.16 0.23 0.00 1.18 0.00 0.00 52.55 54.13 1k5r s ASP 41 Cb 0.00 0.98 0.72 0.00 -0.34 0.00 0.00 42.92 44.28 1k5r s ASP 41 CO 0.00 -0.03 1.74 1.55 0.68 0.00 0.00 175.17 179.11 1k5r h PRO 42 N 5.07 0.00 -0.96 2.11 0.13 -1.97 -3.41 132.00 132.98 1k5r h PRO 42 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 1k5r h PRO 42 Cb 1.16 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.11 1k5r h PRO 42 CO 0.23 0.22 -0.44 0.50 -0.23 0.00 0.00 178.00 178.27 1k5r s ARG 43 N -3.45 0.86 0.00 0.86 3.52 -1.26 -5.09 118.95 114.39 1k5r s ARG 43 Ca 0.02 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1k5r s ARG 43 Cb 0.09 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 1k5r s ARG 43 CO 0.65 -1.18 0.05 1.63 -0.81 0.00 0.00 175.30 175.64