#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 -2.02 -4.38 3.97 2.13 -1.26 -4.81 120.64 114.27 1k5r n GLU 6 Ca 0.00 1.38 -0.32 0.00 0.66 0.00 0.00 57.16 58.88 1k5r n GLU 6 Cb 0.00 -2.50 -0.10 0.00 0.27 0.00 0.00 31.44 29.12 1k5r n GLU 6 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1k5r s ILE 7 N -2.16 3.84 0.00 6.31 1.01 -1.26 -5.12 121.20 123.83 1k5r s ILE 7 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1k5r s ILE 7 Cb 0.00 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1k5r s ILE 7 CO 0.00 0.37 0.00 -0.81 0.00 0.00 0.00 174.94 174.50 1k5r n PRO 8 N 1.45 2.72 -1.74 2.79 -0.04 -1.26 -4.95 135.00 133.97 1k5r n PRO 8 Ca -0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 1k5r n PRO 8 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 1k5r n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1k5r n ASP 9 N 0.00 3.15 -3.05 3.54 8.00 -1.26 -4.91 116.55 122.02 1k5r n ASP 9 Ca 0.00 -3.34 -0.01 0.00 0.71 0.00 0.00 54.79 52.15 1k5r n ASP 9 Cb 0.00 -0.41 -0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1k5r n ASP 9 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1k5r s ASP 10 N -3.39 -1.47 0.28 -2.24 -4.77 -1.26 -5.15 116.67 98.65 1k5r s ASP 10 Ca 0.42 -1.14 0.07 0.00 -3.30 0.00 0.00 52.55 48.60 1k5r s ASP 10 Cb 0.38 1.93 -0.03 0.00 -1.09 0.00 0.00 42.92 44.11 1k5r s ASP 10 CO -0.02 -0.13 0.28 0.68 0.70 0.00 0.00 175.17 176.68 1k5r s VAL 11 N 1.49 4.40 -0.05 2.11 -7.23 -1.26 -5.04 120.40 114.82 1k5r s VAL 11 Ca 0.21 -1.26 -0.25 0.00 -1.81 0.00 0.00 61.98 58.86 1k5r s VAL 11 Cb -0.03 -3.46 -0.22 0.00 0.56 0.00 0.00 36.38 33.23 1k5r s VAL 11 CO -0.06 -0.29 1.09 1.55 -0.31 0.00 0.00 175.10 177.08 1k5r h PRO 12 N 1.31 0.10 -3.72 4.82 0.13 -2.00 -3.50 132.00 129.14 1k5r h PRO 12 Ca -0.48 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1k5r h PRO 12 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1k5r h PRO 12 CO 0.59 0.77 -0.96 1.28 -0.23 0.00 0.00 178.00 179.46 1k5r n LEU 13 N -4.65 -1.70 -4.79 1.56 4.77 -1.26 -4.86 117.00 106.07 1k5r n LEU 13 Ca -0.09 2.85 -0.39 0.00 -0.03 0.00 0.00 56.01 58.36 1k5r n LEU 13 Cb 0.40 -3.12 -0.06 0.00 -2.33 0.00 0.00 43.42 38.31 1k5r n LEU 13 CO 0.36 -0.75 0.42 -2.16 -1.33 0.00 0.00 177.39 173.94 1k5r s PRO 14 N -5.32 4.44 0.03 3.23 0.04 -1.26 -5.00 135.00 131.15 1k5r s PRO 14 Ca 0.00 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 1k5r s PRO 14 Cb 0.00 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1k5r s PRO 14 CO 0.00 0.56 1.12 0.00 0.04 0.00 0.00 177.00 178.73 1k5r s ALA 15 N -1.19 3.32 0.00 8.56 0.00 -1.26 -3.55 121.76 127.65 1k5r s ALA 15 Ca 0.35 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1k5r s ALA 15 Cb -0.21 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1k5r s ALA 15 CO 0.24 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1k5r n GLY 16 N 3.12 0.94 3.21 0.00 0.00 -1.26 -5.08 105.19 106.13 1k5r n GLY 16 Ca 0.08 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.79 1.35 -0.53 1.61 0.52 -1.23 -4.31 118.94 113.56 1k5r s TRP 17 Ca 0.00 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 55.72 1k5r s TRP 17 Cb 0.00 -0.75 0.25 0.00 -1.15 0.00 0.00 33.47 31.82 1k5r s TRP 17 CO 0.00 0.10 0.64 -0.85 0.02 0.00 0.00 176.95 176.86 1k5r n GLU 18 N 1.09 1.71 -1.65 4.98 0.28 -1.18 -5.04 120.64 120.83 1k5r n GLU 18 Ca -0.20 -4.04 -0.56 0.00 -0.16 0.00 0.00 57.16 52.20 1k5r n GLU 18 Cb 0.55 -1.81 -0.07 0.00 1.43 0.00 0.00 31.44 31.53 1k5r n GLU 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1k5r n MET 19 N 1.16 0.99 0.00 3.44 0.00 -1.03 -4.56 117.12 117.12 1k5r n MET 19 Ca 0.26 0.36 0.00 0.00 0.00 0.00 0.00 57.70 58.32 1k5r n MET 19 Cb 0.46 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.67 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 3.93 0.00 -3.54 3.17 0.00 -1.22 -4.94 120.51 117.91 1k5r n ALA 20 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1k5r n ALA 20 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 1k5r n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1k5r s LYS 21 N 4.50 0.36 0.00 0.00 1.02 -1.26 -4.44 119.74 119.91 1k5r s LYS 21 Ca 0.00 0.62 0.00 0.00 0.02 0.00 0.00 55.97 56.61 1k5r s LYS 21 Cb 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1k5r s LYS 21 CO 0.00 -0.12 0.00 0.25 -0.92 0.00 0.00 175.35 174.56 1k5r n THR 22 N 3.76 0.00 1.12 2.17 -2.24 -1.26 -5.10 114.28 112.73 1k5r n THR 22 Ca -0.20 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.66 1k5r n THR 22 Cb 0.56 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 69.26 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 -2.27 0.00 0.08 3.42 7.64 -1.26 -5.16 113.62 116.07 1k5r n SER 23 Ca 0.00 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1k5r n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.11 -1.74 0.39 0.23 0.00 -1.26 -5.30 105.19 97.63 1k5r n GLY 25 Ca 0.12 0.53 0.18 0.00 0.00 0.00 0.00 46.02 46.86 1k5r n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1k5r h GLN 26 N 0.00 0.31 -2.78 1.61 5.75 -2.04 -3.47 115.11 114.50 1k5r h GLN 26 Ca 0.00 -0.02 0.29 0.00 -0.15 0.00 0.00 58.65 58.77 1k5r h GLN 26 Cb 0.00 -0.07 -0.11 0.00 1.07 0.00 0.00 27.48 28.38 1k5r h GLN 26 CO 0.00 0.20 -0.63 0.54 -2.65 0.00 0.00 178.83 176.29 1k5r n ARG 27 N -4.45 -2.40 -3.68 1.69 1.74 -1.26 -5.00 116.66 103.30 1k5r n ARG 27 Ca 0.16 1.75 -0.04 0.00 -0.77 0.00 0.00 57.85 58.94 1k5r n ARG 27 Cb 0.63 -2.97 -0.01 0.00 -1.02 0.00 0.00 32.46 29.09 1k5r n ARG 27 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1k5r s TYR 28 N -2.92 -0.18 -2.17 -1.55 1.13 -1.26 -4.75 117.35 105.65 1k5r s TYR 28 Ca 0.00 -0.06 0.23 0.00 -1.41 0.00 0.00 57.07 55.82 1k5r s TYR 28 Cb 0.00 0.61 0.54 0.00 -1.10 0.00 0.00 41.96 42.01 1k5r s TYR 28 CO 0.00 -0.71 1.47 1.19 -2.51 0.00 0.00 175.55 174.99 1k5r n PHE 29 N -0.41 0.76 -2.83 -3.49 3.72 -1.24 -3.40 117.46 110.57 1k5r n PHE 29 Ca -0.07 -0.39 -0.03 0.00 -0.05 0.00 0.00 57.45 56.91 1k5r n PHE 29 Cb 0.61 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.56 -5.48 -2.75 4.37 0.00 -1.26 -2.48 117.00 110.96 1k5r n LEU 30 Ca 0.22 1.68 -0.28 0.00 0.00 0.00 0.00 56.01 57.63 1k5r n LEU 30 Cb 0.61 -2.48 -0.08 0.00 0.00 0.00 0.00 43.42 41.46 1k5r n LEU 30 CO 0.16 -3.48 2.49 -3.20 0.00 0.00 0.00 177.39 173.37 1k5r n ASN 31 N 2.08 7.17 0.20 1.96 4.05 -1.13 -3.95 115.26 125.64 1k5r n ASN 31 Ca -0.23 -2.63 0.06 0.00 0.45 0.00 0.00 54.58 52.23 1k5r n ASN 31 Cb 0.36 -1.46 0.38 0.00 1.23 0.00 0.00 39.78 40.28 1k5r n ASN 31 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 177.26 173.47 1k5r h HIS 32 N 4.04 0.00 -0.57 1.20 -0.00 -1.84 0.10 115.15 118.08 1k5r h HIS 32 Ca 0.56 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 61.04 1k5r h HIS 32 Cb 0.80 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.09 1k5r h HIS 32 CO 1.79 0.35 -0.22 0.97 -0.00 0.00 0.00 177.93 180.83 1k5r h ILE 33 N 0.00 0.31 -0.03 6.26 2.10 -1.79 -3.36 117.51 121.00 1k5r h ILE 33 Ca -0.00 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 65.74 1k5r h ILE 33 Cb 0.80 0.31 -0.16 0.00 -1.09 0.00 0.00 36.82 36.69 1k5r h ILE 33 CO 0.05 0.00 -0.34 -0.67 -1.08 0.00 0.00 178.15 176.11 1k5r n ASP 34 N -5.43 -1.58 0.00 2.19 2.03 -1.22 -5.13 116.55 107.41 1k5r n ASP 34 Ca 0.06 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 53.02 1k5r n ASP 34 Cb 0.33 0.81 0.00 0.00 -0.72 0.00 0.00 41.12 41.54 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 -1.05 0.00 -4.54 -0.67 7.27 0.35 -5.11 117.38 113.62 1k5r n GLN 35 Ca -0.10 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.72 1k5r n GLN 35 Cb 0.86 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.41 1k5r n GLN 35 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1k5r s THR 36 N -1.08 1.69 0.12 1.69 -4.23 -1.15 -4.26 115.64 108.43 1k5r s THR 36 Ca 0.00 -2.02 -0.35 0.00 -1.18 0.00 0.00 61.69 58.14 1k5r s THR 36 Cb 0.00 -2.86 -0.15 0.00 1.34 0.00 0.00 72.50 70.82 1k5r s THR 36 CO 0.00 -0.04 1.43 0.35 -0.54 0.00 0.00 174.62 175.83 1k5r n THR 37 N -0.83 0.07 -4.77 3.99 -2.24 -1.26 -2.83 114.28 106.42 1k5r n THR 37 Ca -0.04 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 1k5r n THR 37 Cb 0.66 -1.13 -0.15 0.00 -2.10 0.00 0.00 70.33 67.62 1k5r n THR 37 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1k5r s THR 38 N 0.61 1.47 0.00 4.28 -1.32 -1.26 -4.80 115.64 114.62 1k5r s THR 38 Ca 0.81 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1k5r s THR 38 Cb -0.83 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 1k5r s THR 38 CO 0.43 0.32 0.19 0.79 -2.21 0.00 0.00 174.62 174.14 1k5r n TRP 39 N 2.35 0.00 -3.44 9.09 5.03 -1.26 -3.61 117.44 125.60 1k5r n TRP 39 Ca -0.16 0.00 -0.34 0.00 3.03 0.00 0.00 57.50 60.03 1k5r n TRP 39 Cb 0.54 0.00 -0.05 0.00 -1.03 0.00 0.00 31.31 30.76 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 -0.28 2.99 0.04 -0.99 6.02 -1.26 -4.45 117.38 119.44 1k5r n GLN 40 Ca 0.00 -4.56 -0.06 0.00 -0.01 0.00 0.00 57.00 52.37 1k5r n GLN 40 Cb 0.00 -2.38 -0.04 0.00 1.02 0.00 0.00 30.24 28.84 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 5.25 -0.17 -0.50 1.08 5.19 -2.01 -3.47 116.42 121.80 1k5r h ASP 41 Ca 0.18 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1k5r h ASP 41 Cb 0.71 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1k5r h ASP 41 CO 0.96 0.38 0.00 -0.81 -3.12 0.00 0.00 179.24 176.65 1k5r n PRO 42 N -4.89 0.49 -2.94 3.56 -0.04 -1.26 -4.97 135.00 124.94 1k5r n PRO 42 Ca -0.05 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.09 1k5r n PRO 42 Cb 0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.61 1k5r n PRO 42 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1k5r n ARG 43 N -0.41 3.89 0.00 0.54 1.85 -1.26 -5.11 116.66 116.16 1k5r n ARG 43 Ca 0.00 -4.75 0.13 0.00 -1.00 0.00 0.00 57.85 52.23 1k5r n ARG 43 Cb 0.00 -2.34 0.37 0.00 -1.05 0.00 0.00 32.46 29.44 1k5r n ARG 43 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79