#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 0.00 -1.68 3.97 0.28 -1.26 -4.31 120.64 117.64 1k5r n GLU 6 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 1k5r n GLU 6 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1k5r n GLU 6 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1k5r n ILE 7 N 0.00 0.16 0.00 3.84 5.41 -1.26 -4.95 119.36 122.56 1k5r n ILE 7 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1k5r n ILE 7 Cb 0.00 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.19 1k5r n ILE 7 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1k5r n PRO 8 N 4.40 0.00 -0.86 0.38 -0.04 -1.26 -4.99 135.00 132.62 1k5r n PRO 8 Ca 0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 1k5r n PRO 8 Cb 0.31 -0.24 -0.01 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.05 -0.24 0.00 3.54 -0.08 -1.26 -5.10 116.55 113.36 1k5r n ASP 9 Ca 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 54.79 52.65 1k5r n ASP 9 Cb 0.00 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.55 1k5r n ASP 9 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1k5r n ASP 10 N -0.08 0.00 -2.70 1.67 8.00 -1.26 -4.99 116.55 117.19 1k5r n ASP 10 Ca -0.06 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.37 1k5r n ASP 10 Cb 0.40 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.61 1k5r n ASP 10 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1k5r n VAL 11 N 0.00 0.00 -0.03 2.53 3.14 -1.26 -4.99 118.33 117.72 1k5r n VAL 11 Ca 0.00 -1.44 -0.13 0.00 -2.96 0.00 0.00 64.34 59.81 1k5r n VAL 11 Cb 0.00 1.02 -0.11 0.00 -1.06 0.00 0.00 33.84 33.69 1k5r n VAL 11 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1k5r h PRO 12 N 2.03 -0.01 -7.13 1.45 0.13 -1.94 -3.46 132.00 123.08 1k5r h PRO 12 Ca -0.29 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.39 1k5r h PRO 12 Cb 1.28 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.49 1k5r h PRO 12 CO -0.06 0.64 0.11 -0.48 -0.23 0.00 0.00 178.00 177.99 1k5r s LEU 13 N -8.90 3.00 1.13 1.56 0.05 -1.26 -4.62 118.68 109.64 1k5r s LEU 13 Ca -0.17 -0.15 -0.13 0.00 0.05 0.00 0.00 54.13 53.73 1k5r s LEU 13 Cb 0.00 -2.31 0.26 0.00 -2.05 0.00 0.00 46.19 42.09 1k5r s LEU 13 CO 0.67 -1.75 1.05 -2.16 -0.55 0.00 0.00 176.35 173.61 1k5r s PRO 14 N -5.13 -0.60 0.02 1.48 0.04 -1.26 -5.03 135.00 124.51 1k5r s PRO 14 Ca 0.64 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.29 1k5r s PRO 14 Cb -0.07 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1k5r s PRO 14 CO 0.44 -3.45 0.18 0.00 0.04 0.00 0.00 177.00 174.20 1k5r s ALA 15 N -2.66 3.92 -0.96 8.56 0.00 -1.26 -4.30 121.76 125.06 1k5r s ALA 15 Ca 0.67 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1k5r s ALA 15 Cb -0.22 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1k5r s ALA 15 CO 0.62 0.77 0.00 0.41 0.00 0.00 0.00 175.76 177.56 1k5r n GLY 16 N 0.71 -0.02 3.35 0.00 0.00 -1.26 -4.88 105.19 103.09 1k5r n GLY 16 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.31 3.28 0.53 1.61 0.52 -1.26 -4.72 118.94 116.58 1k5r s TRP 17 Ca 0.00 -1.12 -0.22 0.00 0.02 0.00 0.00 56.10 54.78 1k5r s TRP 17 Cb 0.00 -2.83 -0.05 0.00 -1.15 0.00 0.00 33.47 29.44 1k5r s TRP 17 CO 0.00 -0.75 1.36 -2.00 0.02 0.00 0.00 176.95 175.58 1k5r s GLU 18 N 1.54 3.21 0.04 4.98 2.56 -1.22 -4.82 118.70 125.01 1k5r s GLU 18 Ca 0.03 2.25 0.05 0.00 0.00 0.00 0.00 54.97 57.30 1k5r s GLU 18 Cb -0.22 -2.30 -0.02 0.00 2.00 0.00 0.00 34.13 33.59 1k5r s GLU 18 CO 0.05 -1.14 -0.14 0.00 -0.56 0.00 0.00 175.26 173.47 1k5r s MET 19 N -2.86 0.92 0.07 4.30 0.23 -1.26 0.01 119.30 120.71 1k5r s MET 19 Ca 0.70 -0.79 -0.25 0.00 -1.03 0.00 0.00 55.69 54.32 1k5r s MET 19 Cb -0.41 -0.92 0.07 0.00 -1.53 0.00 0.00 34.83 32.04 1k5r s MET 19 CO 0.48 0.22 0.61 0.00 -2.03 0.00 0.00 175.02 174.31 1k5r s ALA 20 N -0.92 -1.59 0.48 3.16 0.00 -1.26 -4.66 121.76 116.97 1k5r s ALA 20 Ca 0.01 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1k5r s ALA 20 Cb -0.08 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1k5r s ALA 20 CO 0.01 -0.60 0.70 0.21 0.00 0.00 0.00 175.76 176.08 1k5r s LYS 21 N -2.73 2.82 -0.40 0.00 2.36 -1.26 -1.22 119.74 119.31 1k5r s LYS 21 Ca -0.04 -0.71 -0.02 0.00 -2.55 0.00 0.00 55.97 52.64 1k5r s LYS 21 Cb -0.01 -2.56 0.16 0.00 -1.05 0.00 0.00 37.83 34.38 1k5r s LYS 21 CO -0.04 -0.45 2.34 0.25 1.55 0.00 0.00 175.35 179.01 1k5r n THR 22 N -2.15 3.06 0.00 3.43 -2.24 -1.26 -4.96 114.28 110.16 1k5r n THR 22 Ca 0.05 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.53 1k5r n THR 22 Cb 0.59 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1k5r n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1k5r n SER 23 N 0.50 -0.07 -1.52 3.42 2.88 -1.26 -5.17 113.62 112.40 1k5r n SER 23 Ca 0.40 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1k5r n SER 23 Cb 0.57 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1k5r n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k5r n GLY 25 N -1.46 0.00 2.63 0.46 0.00 -1.26 -5.27 105.19 100.30 1k5r n GLY 25 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.86 0.25 -1.65 1.61 -0.06 -1.26 -5.13 117.38 112.00 1k5r n GLN 26 Ca 0.00 -0.76 -0.44 0.00 -2.00 0.00 0.00 57.00 53.80 1k5r n GLN 26 Cb 0.00 -0.01 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 1k5r n GLN 26 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1k5r n ARG 27 N -0.51 1.80 -0.85 3.69 1.74 -1.26 -4.54 116.66 116.72 1k5r n ARG 27 Ca -0.25 0.64 -0.06 0.00 -0.77 0.00 0.00 57.85 57.40 1k5r n ARG 27 Cb 0.66 -2.18 0.20 0.00 -1.02 0.00 0.00 32.46 30.12 1k5r n ARG 27 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1k5r n TYR 28 N 0.93 1.32 -3.78 -1.55 0.18 -0.35 -4.83 117.16 109.08 1k5r n TYR 28 Ca 0.09 -1.62 -0.23 0.00 1.88 0.00 0.00 57.90 58.03 1k5r n TYR 28 Cb 0.32 -0.54 0.02 0.00 -0.38 0.00 0.00 39.34 38.76 1k5r n TYR 28 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1k5r n PHE 29 N -1.10 -1.87 -1.43 -3.48 3.72 -1.26 -2.05 117.46 109.98 1k5r n PHE 29 Ca 0.36 0.82 -0.27 0.00 -0.05 0.00 0.00 57.45 58.31 1k5r n PHE 29 Cb 1.11 -4.20 -0.19 0.00 -0.94 0.00 0.00 39.48 35.25 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 -4.33 -0.83 -4.61 4.37 7.94 0.10 -4.18 117.00 115.46 1k5r n LEU 30 Ca -0.28 -0.29 -0.48 0.00 -1.11 0.00 0.00 56.01 53.85 1k5r n LEU 30 Cb 0.67 -0.63 -0.05 0.00 0.53 0.00 0.00 43.42 43.94 1k5r n LEU 30 CO 0.71 -1.14 1.64 -3.20 -1.11 0.00 0.00 177.39 174.29 1k5r n ASN 31 N 6.88 3.10 -1.52 1.96 5.15 0.12 -3.37 115.26 127.59 1k5r n ASN 31 Ca 0.64 0.69 0.04 0.00 -0.60 0.00 0.00 54.58 55.35 1k5r n ASN 31 Cb 0.10 -1.38 0.32 0.00 -0.53 0.00 0.00 39.78 38.29 1k5r n ASN 31 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1k5r n HIS 32 N 8.42 1.70 0.03 1.20 -0.00 -1.26 -2.82 115.22 122.49 1k5r n HIS 32 Ca 0.29 -0.94 -0.01 0.00 -0.00 0.00 0.00 57.72 57.06 1k5r n HIS 32 Cb 0.31 -0.48 -0.00 0.00 -0.00 0.00 0.00 29.99 29.82 1k5r n HIS 32 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1k5r n ILE 33 N -0.06 0.96 0.36 3.57 5.41 -1.26 -4.72 119.36 123.62 1k5r n ILE 33 Ca 0.29 0.30 0.04 0.00 1.00 0.00 0.00 62.75 64.38 1k5r n ILE 33 Cb 1.12 -1.50 0.18 0.00 -0.71 0.00 0.00 39.64 38.73 1k5r n ILE 33 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1k5r n ASP 34 N -3.32 2.80 -3.19 4.38 2.03 -1.26 -4.94 116.55 113.05 1k5r n ASP 34 Ca -0.01 -2.29 -0.13 0.00 0.52 0.00 0.00 54.79 52.88 1k5r n ASP 34 Cb 0.03 -0.47 0.01 0.00 -0.72 0.00 0.00 41.12 39.97 1k5r n ASP 34 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1k5r n GLN 35 N 0.39 -1.79 -2.97 -0.67 7.27 -1.25 -5.01 117.38 113.34 1k5r n GLN 35 Ca 0.13 1.56 -0.03 0.00 0.07 0.00 0.00 57.00 58.73 1k5r n GLN 35 Cb 0.56 -4.55 0.02 0.00 2.41 0.00 0.00 30.24 28.68 1k5r n GLN 35 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1k5r n THR 36 N -1.21 0.00 -3.68 1.69 -2.24 -1.13 -5.04 114.28 102.67 1k5r n THR 36 Ca -0.03 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 1k5r n THR 36 Cb 0.55 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 1k5r n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k5r s THR 37 N -2.28 -0.02 0.00 4.28 -4.23 -1.26 0.14 115.64 112.27 1k5r s THR 37 Ca 0.14 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1k5r s THR 37 Cb -0.02 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.10 1k5r s THR 37 CO 0.05 0.03 0.00 0.35 -0.54 0.00 0.00 174.62 174.50 1k5r n THR 38 N 4.28 0.00 0.00 3.99 -2.24 -0.87 -4.93 114.28 114.51 1k5r n THR 38 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1k5r n THR 38 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1k5r n THR 38 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1k5r n TRP 39 N 0.00 0.00 -1.79 4.78 5.03 -1.25 -4.80 117.44 119.40 1k5r n TRP 39 Ca 0.00 0.00 0.05 0.00 3.03 0.00 0.00 57.50 60.58 1k5r n TRP 39 Cb 0.00 0.00 0.09 0.00 -1.03 0.00 0.00 31.31 30.37 1k5r n TRP 39 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 1k5r n GLN 40 N -0.90 0.72 -0.01 -0.99 6.02 -1.26 -4.65 117.38 116.31 1k5r n GLN 40 Ca 0.00 -2.23 -0.01 0.00 -0.01 0.00 0.00 57.00 54.75 1k5r n GLN 40 Cb 0.00 -0.91 -0.01 0.00 1.02 0.00 0.00 30.24 30.35 1k5r n GLN 40 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1k5r h ASP 41 N 0.50 -0.06 0.00 1.08 3.32 -1.98 -3.35 116.42 115.93 1k5r h ASP 41 Ca -0.06 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.47 1k5r h ASP 41 Cb 1.32 0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.90 1k5r h ASP 41 CO 0.02 0.32 2.92 -0.81 -1.72 0.00 0.00 179.24 179.97 1k5r n PRO 42 N -4.25 3.06 0.00 3.56 -0.04 -1.26 -4.69 135.00 131.38 1k5r n PRO 42 Ca -0.01 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 1k5r n PRO 42 Cb 0.03 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 1k5r n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1k5r n ARG 43 N 3.54 0.00 0.00 0.54 1.74 -1.26 -4.30 116.66 116.92 1k5r n ARG 43 Ca 0.65 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 1k5r n ARG 43 Cb 0.31 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 1k5r n ARG 43 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28