#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 1.03 -1.70 -1.08 0.00 -1.26 -4.83 120.64 112.80 1k5r n GLU 6 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 57.16 57.11 1k5r n GLU 6 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 31.44 29.33 1k5r n GLU 6 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1k5r n ILE 7 N -1.29 0.04 0.10 3.84 5.41 -1.26 -4.92 119.36 121.27 1k5r n ILE 7 Ca 0.12 -0.01 -0.06 0.00 1.00 0.00 0.00 62.75 63.80 1k5r n ILE 7 Cb 0.45 -1.87 -0.03 0.00 -0.71 0.00 0.00 39.64 37.48 1k5r n ILE 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k5r h PRO 8 N 6.71 -0.34 0.00 0.38 0.13 -2.03 -3.50 132.00 133.35 1k5r h PRO 8 Ca -0.44 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1k5r h PRO 8 Cb 1.22 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1k5r h PRO 8 CO 0.94 -0.20 0.00 -0.40 -0.23 0.00 0.00 178.00 178.10 1k5r n ASP 9 N -5.01 0.00 -1.92 1.44 5.68 -1.26 -5.01 116.55 110.47 1k5r n ASP 9 Ca -0.05 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.18 1k5r n ASP 9 Cb 0.15 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.11 1k5r n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1k5r n ASP 10 N 0.00 -2.22 -3.77 -1.12 2.03 -1.26 -4.85 116.55 105.37 1k5r n ASP 10 Ca 0.00 0.26 -0.10 0.00 0.52 0.00 0.00 54.79 55.48 1k5r n ASP 10 Cb 0.00 -2.09 -0.04 0.00 -0.72 0.00 0.00 41.12 38.26 1k5r n ASP 10 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1k5r s VAL 11 N -2.00 0.04 -0.87 5.18 -7.23 -1.26 -5.04 120.40 109.22 1k5r s VAL 11 Ca 0.00 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.25 1k5r s VAL 11 Cb 0.00 -1.57 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 1k5r s VAL 11 CO 0.00 -0.18 2.18 -0.81 -0.31 0.00 0.00 175.10 175.98 1k5r n PRO 12 N -0.30 2.10 -1.66 4.82 -0.04 -1.26 -4.93 135.00 133.73 1k5r n PRO 12 Ca -0.10 -1.42 -0.39 0.00 -0.04 0.00 0.00 63.50 61.55 1k5r n PRO 12 Cb 0.63 -2.41 0.04 0.00 -0.04 0.00 0.00 33.50 31.72 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 4.02 4.21 -4.76 1.53 0.00 -1.26 -4.89 117.00 115.84 1k5r n LEU 13 Ca 0.45 0.91 -0.41 0.00 0.00 0.00 0.00 56.01 56.96 1k5r n LEU 13 Cb 0.17 -1.45 -0.02 0.00 0.00 0.00 0.00 43.42 42.12 1k5r n LEU 13 CO 0.66 -1.30 1.03 -2.16 0.00 0.00 0.00 177.39 175.62 1k5r s PRO 14 N -2.67 4.31 0.01 1.96 0.04 -1.26 -4.98 135.00 132.39 1k5r s PRO 14 Ca 0.72 2.27 -0.24 0.00 0.04 0.00 0.00 61.00 63.78 1k5r s PRO 14 Cb -0.44 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1k5r s PRO 14 CO 0.50 -0.29 0.74 0.00 0.04 0.00 0.00 177.00 177.98 1k5r s ALA 15 N -0.74 3.36 0.00 8.56 0.00 -1.26 -3.87 121.76 127.80 1k5r s ALA 15 Ca 0.53 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1k5r s ALA 15 Cb -0.41 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1k5r s ALA 15 CO 0.50 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1k5r n GLY 16 N 2.63 0.86 2.82 0.00 0.00 -1.26 -5.07 105.19 105.18 1k5r n GLY 16 Ca -0.02 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 1k5r n GLY 16 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k5r n TRP 17 N -2.54 0.76 -2.75 1.61 7.02 -1.25 -4.40 117.44 115.89 1k5r n TRP 17 Ca 0.00 -1.99 -0.06 0.00 -1.02 0.00 0.00 57.50 54.43 1k5r n TRP 17 Cb 0.42 -0.21 0.03 0.00 -2.42 0.00 0.00 31.31 29.13 1k5r n TRP 17 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1k5r n GLU 18 N -0.94 0.64 -1.63 -0.99 4.07 -1.05 -5.06 120.64 115.68 1k5r n GLU 18 Ca -0.14 -1.88 -0.47 0.00 -0.06 0.00 0.00 57.16 54.61 1k5r n GLU 18 Cb 0.50 -1.44 -0.04 0.00 -0.06 0.00 0.00 31.44 30.40 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 2.36 1.64 0.00 5.31 0.00 -1.03 -4.39 117.12 121.01 1k5r n MET 19 Ca 0.14 0.58 0.00 0.00 0.00 0.00 0.00 57.70 58.42 1k5r n MET 19 Cb 0.59 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.62 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 1.95 2.49 -1.28 3.17 0.00 -1.19 -4.93 120.51 120.73 1k5r n ALA 20 Ca 0.14 -0.49 0.15 0.00 0.00 0.00 0.00 53.44 53.25 1k5r n ALA 20 Cb 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 1k5r n ALA 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1k5r n LYS 21 N -0.01 -2.55 -4.08 0.00 4.81 -1.25 -4.89 118.16 110.18 1k5r n LYS 21 Ca 0.00 1.89 -0.22 0.00 -0.87 0.00 0.00 58.31 59.11 1k5r n LYS 21 Cb 0.01 -3.14 -0.05 0.00 0.02 0.00 0.00 35.03 31.86 1k5r n LYS 21 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1k5r s THR 22 N -3.15 3.66 -0.85 3.15 -4.23 -1.21 -4.79 115.64 108.22 1k5r s THR 22 Ca 0.00 -1.58 -0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1k5r s THR 22 Cb 0.00 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 1k5r s THR 22 CO 0.00 -0.27 2.89 -1.20 -0.54 0.00 0.00 174.62 175.50 1k5r n SER 23 N -1.15 7.15 0.00 3.99 7.64 -1.26 -4.83 113.62 125.16 1k5r n SER 23 Ca -0.05 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1k5r n SER 23 Cb 0.59 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 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 2.05 0.00 3.96 0.23 0.00 -1.26 -5.12 105.19 105.05 1k5r n GLY 25 Ca 0.58 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 1k5r n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k5r s GLN 26 N 0.00 2.06 -0.21 1.61 2.00 -1.26 -5.11 119.66 118.75 1k5r s GLN 26 Ca 0.00 -0.66 -0.33 0.00 -2.00 0.00 0.00 55.36 52.37 1k5r s GLN 26 Cb 0.00 -2.29 0.15 0.00 0.80 0.00 0.00 33.01 31.67 1k5r s GLN 26 CO 0.00 -1.21 1.21 -0.98 -0.50 0.00 0.00 175.29 173.81 1k5r s ARG 27 N -5.11 0.29 0.26 1.67 1.70 -1.26 -3.31 118.95 113.18 1k5r s ARG 27 Ca 0.62 -0.04 -0.22 0.00 -0.47 0.00 0.00 55.73 55.63 1k5r s ARG 27 Cb -0.09 0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.46 1k5r s ARG 27 CO 0.43 -0.11 0.73 1.52 -1.08 0.00 0.00 175.30 176.79 1k5r s TYR 28 N -1.82 -0.22 -2.15 5.89 1.13 -1.26 -4.70 117.35 114.22 1k5r s TYR 28 Ca 0.07 -0.20 0.19 0.00 -1.41 0.00 0.00 57.07 55.73 1k5r s TYR 28 Cb -0.01 0.69 0.52 0.00 -1.10 0.00 0.00 41.96 42.06 1k5r s TYR 28 CO -0.05 -1.16 1.44 1.19 -2.51 0.00 0.00 175.55 174.46 1k5r n PHE 29 N -0.45 0.63 -2.94 -3.49 3.01 -1.26 -3.15 117.46 109.80 1k5r n PHE 29 Ca -0.05 -0.31 -0.01 0.00 1.01 0.00 0.00 57.45 58.08 1k5r n PHE 29 Cb 0.60 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.06 1k5r n PHE 29 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1k5r n LEU 30 N 1.12 -5.28 -2.86 4.37 0.00 -1.26 -2.46 117.00 110.63 1k5r n LEU 30 Ca 0.19 1.20 -0.28 0.00 0.00 0.00 0.00 56.01 57.12 1k5r n LEU 30 Cb 0.49 -2.25 -0.07 0.00 0.00 0.00 0.00 43.42 41.59 1k5r n LEU 30 CO 0.14 -2.80 2.69 -3.20 0.00 0.00 0.00 177.39 174.21 1k5r n ASN 31 N 1.72 7.13 -0.31 1.96 5.15 -0.04 -3.70 115.26 127.16 1k5r n ASN 31 Ca -0.10 -2.50 0.10 0.00 -0.60 0.00 0.00 54.58 51.48 1k5r n ASN 31 Cb 0.28 -1.44 0.31 0.00 -0.53 0.00 0.00 39.78 38.40 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 4.50 0.98 -1.03 1.20 2.07 -1.84 -0.04 115.15 120.99 1k5r h HIS 32 Ca 0.61 0.03 0.26 0.00 -2.85 0.00 0.00 60.37 58.41 1k5r h HIS 32 Cb 0.66 -0.31 -0.10 0.00 2.57 0.00 0.00 27.41 30.24 1k5r h HIS 32 CO 1.85 0.37 0.65 -0.84 -3.07 0.00 0.00 177.93 176.89 1k5r h ILE 33 N 0.83 0.55 0.00 6.12 3.07 -1.82 -3.36 117.51 122.90 1k5r h ILE 33 Ca 0.47 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.73 1k5r h ILE 33 Cb 0.62 0.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.24 1k5r h ILE 33 CO -0.24 0.08 0.00 -0.67 -1.05 0.00 0.00 178.15 176.27 1k5r n ASP 34 N -4.66 0.00 -1.53 2.16 2.03 -0.05 -5.06 116.55 109.44 1k5r n ASP 34 Ca 0.25 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.56 1k5r n ASP 34 Cb 0.83 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.08 -0.03 -0.67 10.64 -1.06 -5.12 117.38 121.22 1k5r n GLN 35 Ca 0.00 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1k5r n GLN 35 Cb 0.00 0.04 0.00 0.00 -0.86 0.00 0.00 30.24 29.42 1k5r n GLN 35 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1k5r n THR 36 N -0.09 0.00 -4.06 -0.39 -2.24 -1.23 -5.06 114.28 101.20 1k5r n THR 36 Ca -0.01 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.53 1k5r n THR 36 Cb 0.51 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.05 0.83 -0.02 4.28 -4.23 -1.26 -0.86 115.64 112.32 1k5r s THR 37 Ca 0.00 -0.21 0.27 0.00 -1.18 0.00 0.00 61.69 60.57 1k5r s THR 37 Cb 0.00 -0.85 0.28 0.00 1.34 0.00 0.00 72.50 73.26 1k5r s THR 37 CO 0.00 0.32 1.83 0.00 -0.54 0.00 0.00 174.62 176.23 1k5r h THR 38 N 6.16 0.00 -0.27 3.99 1.03 -1.94 -3.47 112.91 118.41 1k5r h THR 38 Ca -0.30 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 1k5r h THR 38 Cb 1.14 0.66 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 1k5r h THR 38 CO 0.40 0.00 0.00 1.87 -0.01 0.00 0.00 175.52 177.78 1k5r n TRP 39 N -2.46 -0.27 -1.50 0.00 -0.00 -1.26 -4.48 117.44 107.47 1k5r n TRP 39 Ca -0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 57.50 57.04 1k5r n TRP 39 Cb 0.07 0.11 -0.06 0.00 -0.00 0.00 0.00 31.31 31.43 1k5r n TRP 39 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1k5r n GLN 40 N 0.00 1.14 0.00 5.87 -0.06 -1.26 -3.98 117.38 119.09 1k5r n GLN 40 Ca 0.00 0.24 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 1k5r n GLN 40 Cb 0.00 -2.74 0.00 0.00 -4.06 0.00 0.00 30.24 23.44 1k5r n GLN 40 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1k5r n ASP 41 N 11.66 -0.04 -1.33 1.69 8.00 -1.26 -4.93 116.55 130.34 1k5r n ASP 41 Ca 0.41 0.12 0.07 0.00 0.71 0.00 0.00 54.79 56.09 1k5r n ASP 41 Cb 0.32 0.16 0.28 0.00 -0.02 0.00 0.00 41.12 41.86 1k5r n ASP 41 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1k5r n PRO 42 N -2.25 3.26 0.00 -0.24 -0.04 -1.26 -4.70 135.00 129.77 1k5r n PRO 42 Ca 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 1k5r n PRO 42 Cb 0.00 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 0.72 0.00 0.00 0.54 1.74 -1.26 -4.71 116.66 113.69 1k5r n ARG 43 Ca 0.20 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1k5r n ARG 43 Cb 0.76 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 1k5r n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74