#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9r n GLU 6 N 0.00 0.00 -2.86 -4.13 1.02 -1.26 -4.62 120.64 108.78 1k9r n GLU 6 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1k9r n GLU 6 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1k9r n GLU 6 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1k9r s ILE 7 N 0.00 4.30 0.00 -3.67 1.01 -1.26 -5.03 121.20 116.55 1k9r s ILE 7 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1k9r s ILE 7 Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1k9r s ILE 7 CO 0.00 0.18 0.05 -0.81 0.00 0.00 0.00 174.94 174.36 1k9r n PRO 8 N 0.65 0.00 -0.03 2.79 -0.04 -1.26 -4.49 135.00 132.62 1k9r n PRO 8 Ca 0.01 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1k9r n PRO 8 Cb 0.50 -0.33 -0.06 0.00 -0.04 0.00 0.00 33.50 33.57 1k9r n PRO 8 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1k9r h ASP 9 N 0.00 0.17 -6.07 3.54 3.58 -1.99 -3.47 116.42 112.18 1k9r h ASP 9 Ca 0.00 -0.17 -0.40 0.00 0.42 0.00 0.00 57.03 56.88 1k9r h ASP 9 Cb 0.00 -0.04 0.09 0.00 1.72 0.00 0.00 39.33 41.10 1k9r h ASP 9 CO 0.00 0.29 -0.89 -0.67 -2.88 0.00 0.00 179.24 175.09 1k9r n ASP 10 N -4.90 -4.13 -4.84 2.28 2.03 -1.26 -4.95 116.55 100.78 1k9r n ASP 10 Ca -0.05 -0.91 -0.36 0.00 0.52 0.00 0.00 54.79 53.99 1k9r n ASP 10 Cb 0.12 -3.87 -0.06 0.00 -0.72 0.00 0.00 41.12 36.59 1k9r n ASP 10 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1k9r s VAL 11 N -3.54 4.87 0.00 5.18 1.01 -1.26 -5.07 120.40 121.59 1k9r s VAL 11 Ca 0.32 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1k9r s VAL 11 Cb -0.09 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1k9r s VAL 11 CO 0.83 0.32 0.00 -0.81 0.00 0.00 0.00 175.10 175.44 1k9r n PRO 12 N 1.03 1.18 -1.65 2.72 -0.04 -1.26 -4.39 135.00 132.60 1k9r n PRO 12 Ca -0.07 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.95 1k9r n PRO 12 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 1k9r n PRO 12 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k9r n LEU 13 N 0.00 2.71 0.00 1.53 4.32 -1.25 -4.65 117.00 119.66 1k9r n LEU 13 Ca 0.00 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 57.16 1k9r n LEU 13 Cb 0.00 -1.38 0.00 0.00 -1.62 0.00 0.00 43.42 40.42 1k9r n LEU 13 CO 0.00 -0.83 0.00 -0.81 -1.22 0.00 0.00 177.39 174.53 1k9r n PRO 14 N 1.16 0.53 -1.49 3.23 -0.04 -1.26 -4.95 135.00 132.17 1k9r n PRO 14 Ca 0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.26 1k9r n PRO 14 Cb 0.32 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 33.94 1k9r n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k9r s ALA 15 N -3.29 1.58 -0.66 0.55 0.00 -1.26 -3.63 121.76 115.04 1k9r s ALA 15 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1k9r s ALA 15 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1k9r s ALA 15 CO 0.00 -2.55 0.00 0.41 0.00 0.00 0.00 175.76 173.62 1k9r n GLY 16 N -2.12 0.69 3.57 0.00 0.00 -1.26 -4.86 105.19 101.21 1k9r n GLY 16 Ca 0.08 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1k9r n GLY 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k9r s TRP 17 N -1.75 2.77 -0.31 1.61 0.52 -1.24 0.48 118.94 121.03 1k9r s TRP 17 Ca 0.00 -0.13 -0.03 0.00 0.02 0.00 0.00 56.10 55.97 1k9r s TRP 17 Cb 0.00 -1.51 0.11 0.00 -1.15 0.00 0.00 33.47 30.92 1k9r s TRP 17 CO 0.00 0.38 0.15 -1.21 0.02 0.00 0.00 176.95 176.28 1k9r s GLU 18 N -1.77 0.34 -0.01 4.98 8.01 -0.09 -4.93 118.70 125.23 1k9r s GLU 18 Ca 0.19 -0.78 -0.30 0.00 0.01 0.00 0.00 54.97 54.09 1k9r s GLU 18 Cb -0.11 -1.30 -0.07 0.00 -4.31 0.00 0.00 34.13 28.34 1k9r s GLU 18 CO 0.10 -1.06 1.84 0.00 0.01 0.00 0.00 175.26 176.15 1k9r s MET 19 N 1.80 4.13 0.00 1.61 0.23 -1.26 -1.30 119.30 124.51 1k9r s MET 19 Ca 0.11 2.41 0.00 0.00 -1.03 0.00 0.00 55.69 57.18 1k9r s MET 19 Cb -0.18 -4.09 0.00 0.00 -1.53 0.00 0.00 34.83 29.03 1k9r s MET 19 CO -0.27 -0.94 0.00 0.00 -2.03 0.00 0.00 175.02 171.78 1k9r n ALA 20 N 7.48 0.00 -2.44 3.16 0.00 0.18 -4.91 120.51 123.98 1k9r n ALA 20 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 1k9r n ALA 20 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 1k9r n ALA 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1k9r s LYS 21 N -0.77 1.60 0.00 0.00 2.20 -1.26 0.11 119.74 121.61 1k9r s LYS 21 Ca 0.00 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1k9r s LYS 21 Cb 0.00 -1.61 0.00 0.00 -1.51 0.00 0.00 37.83 34.71 1k9r s LYS 21 CO 0.00 0.43 0.00 -2.37 -0.36 0.00 0.00 175.35 173.05 1k9r n THR 22 N 2.29 0.00 -1.44 3.43 5.66 -0.68 -4.84 114.28 118.71 1k9r n THR 22 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1k9r n THR 22 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1k9r n THR 22 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1k9r n SER 23 N -0.03 0.00 0.03 1.09 2.88 -1.26 -3.26 113.62 113.08 1k9r n SER 23 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1k9r n SER 23 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1k9r n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1k9r n SER 24 N -3.62 0.62 0.00 -3.46 2.88 -1.26 -4.83 113.62 103.95 1k9r n SER 24 Ca 0.00 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1k9r n SER 24 Cb 0.00 0.72 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1k9r n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k9r n GLY 25 N 1.35 -1.64 3.64 0.46 0.00 -1.20 -5.17 105.19 102.64 1k9r n GLY 25 Ca 0.02 0.98 -0.04 0.00 0.00 0.00 0.00 46.02 46.98 1k9r n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k9r s GLN 26 N 0.00 0.27 -0.21 1.61 -1.52 -1.23 -5.03 119.66 113.55 1k9r s GLN 26 Ca 0.00 0.37 -0.29 0.00 -1.95 0.00 0.00 55.36 53.49 1k9r s GLN 26 Cb 0.00 0.10 0.01 0.00 -0.22 0.00 0.00 33.01 32.90 1k9r s GLN 26 CO 0.00 -0.04 1.04 1.03 -0.25 0.00 0.00 175.29 177.07 1k9r s ARG 27 N 0.58 4.28 0.49 2.91 0.52 -1.26 -1.68 118.95 124.80 1k9r s ARG 27 Ca -0.01 1.38 0.06 0.00 -0.52 0.00 0.00 55.73 56.64 1k9r s ARG 27 Cb -0.04 -3.63 0.01 0.00 0.52 0.00 0.00 34.95 31.80 1k9r s ARG 27 CO -0.12 -0.58 0.31 1.52 0.02 0.00 0.00 175.30 176.45 1k9r s TYR 28 N 3.02 2.01 -0.29 -0.53 1.13 0.30 -4.72 117.35 118.29 1k9r s TYR 28 Ca 0.45 -0.75 0.01 0.00 -1.41 0.00 0.00 57.07 55.37 1k9r s TYR 28 Cb -0.16 -1.93 0.08 0.00 -1.10 0.00 0.00 41.96 38.86 1k9r s TYR 28 CO 0.08 -0.21 0.02 -0.06 -2.51 0.00 0.00 175.55 172.88 1k9r s PHE 29 N -2.71 2.52 -0.47 -3.49 0.40 0.35 0.51 117.98 115.09 1k9r s PHE 29 Ca 0.34 -2.07 -0.29 0.00 -0.60 0.00 0.00 56.93 54.32 1k9r s PHE 29 Cb -0.01 -1.97 0.03 0.00 0.51 0.00 0.00 43.02 41.58 1k9r s PHE 29 CO 0.20 -0.85 1.13 -1.17 0.70 0.00 0.00 175.22 175.23 1k9r s LEU 30 N 1.34 3.66 -0.40 -0.37 2.96 -0.42 -1.39 118.68 124.07 1k9r s LEU 30 Ca 0.04 0.49 -0.26 0.00 -0.22 0.00 0.00 54.13 54.18 1k9r s LEU 30 Cb -0.18 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 42.99 1k9r s LEU 30 CO -0.13 -1.23 0.93 0.21 -1.32 0.00 0.00 176.35 174.81 1k9r s ASN 31 N 2.41 6.62 0.16 3.68 3.84 0.29 -0.91 114.94 131.03 1k9r s ASN 31 Ca 0.47 0.45 0.27 0.00 0.21 0.00 0.00 52.86 54.26 1k9r s ASN 31 Cb -0.07 -2.46 0.91 0.00 -0.55 0.00 0.00 41.25 39.08 1k9r s ASN 31 CO 0.31 -0.92 1.81 1.41 -2.79 0.00 0.00 177.10 176.92 1k9r n HIS 32 N 6.90 0.71 -0.07 0.43 8.25 0.18 -0.01 115.22 131.61 1k9r n HIS 32 Ca 0.07 0.21 -0.08 0.00 -0.26 0.00 0.00 57.72 57.66 1k9r n HIS 32 Cb 0.48 -0.84 -0.05 0.00 1.12 0.00 0.00 29.99 30.71 1k9r n HIS 32 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1k9r h ILE 33 N 0.00 0.41 -0.38 1.59 2.04 -1.88 -3.34 117.51 115.95 1k9r h ILE 33 Ca 0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1k9r h ILE 33 Cb 0.68 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1k9r h ILE 33 CO 0.00 0.14 0.00 0.47 0.00 0.00 0.00 178.15 178.76 1k9r n ASP 34 N -4.63 3.07 -3.12 1.72 9.92 -1.25 -4.97 116.55 117.30 1k9r n ASP 34 Ca -0.10 -2.29 -0.27 0.00 -0.53 0.00 0.00 54.79 51.60 1k9r n ASP 34 Cb 0.30 -0.46 0.02 0.00 -0.64 0.00 0.00 41.12 40.34 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k9r n GLN 35 N 0.54 -1.38 -3.76 -1.24 10.64 0.99 -4.96 117.38 118.21 1k9r n GLN 35 Ca 0.15 0.91 -0.09 0.00 -1.83 0.00 0.00 57.00 56.14 1k9r n GLN 35 Cb 0.60 -1.58 -0.03 0.00 -0.86 0.00 0.00 30.24 28.37 1k9r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1k9r s THR 36 N -1.66 0.02 -0.38 -0.39 -4.23 -0.52 -4.92 115.64 103.54 1k9r s THR 36 Ca 0.20 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.92 1k9r s THR 36 Cb -0.02 -1.68 0.11 0.00 1.34 0.00 0.00 72.50 72.25 1k9r s THR 36 CO 0.68 -0.07 0.11 0.42 -0.54 0.00 0.00 174.62 175.22 1k9r s THR 37 N -3.89 2.20 -0.12 3.99 -4.23 -1.26 0.11 115.64 112.44 1k9r s THR 37 Ca 0.10 -2.51 -0.04 0.00 -1.18 0.00 0.00 61.69 58.06 1k9r s THR 37 Cb -0.02 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1k9r s THR 37 CO -0.00 -0.67 0.05 0.28 -0.54 0.00 0.00 174.62 173.74 1k9r s THR 38 N 0.65 4.68 0.19 3.99 -1.32 -0.49 -4.77 115.64 118.57 1k9r s THR 38 Ca 0.13 -0.10 -0.08 0.00 -1.21 0.00 0.00 61.69 60.43 1k9r s THR 38 Cb -0.21 -3.02 0.05 0.00 -1.51 0.00 0.00 72.50 67.81 1k9r s THR 38 CO -0.07 0.57 1.63 -0.50 -2.21 0.00 0.00 174.62 174.04 1k9r h TRP 39 N 5.52 1.12 -2.63 9.09 4.06 -1.87 1.01 115.95 132.25 1k9r h TRP 39 Ca -0.48 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.26 1k9r h TRP 39 Cb 1.20 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 1k9r h TRP 39 CO 0.64 1.02 0.00 1.04 -3.56 0.00 0.00 178.44 177.59 1k9r n GLN 40 N -4.16 1.31 -4.26 0.49 6.02 -1.26 -4.43 117.38 111.09 1k9r n GLN 40 Ca 0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.78 1k9r n GLN 40 Cb 0.38 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.57 1k9r n GLN 40 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1k9r s ASP 41 N -1.00 4.70 0.05 1.08 1.47 -1.26 -4.57 116.67 117.13 1k9r s ASP 41 Ca 0.00 -0.57 -0.18 0.00 1.18 0.00 0.00 52.55 52.98 1k9r s ASP 41 Cb 0.00 -0.94 -0.16 0.00 -0.34 0.00 0.00 42.92 41.48 1k9r s ASP 41 CO 0.00 0.00 1.27 1.55 0.68 0.00 0.00 175.17 178.67 1k9r h PRO 42 N 1.90 0.50 -2.24 2.11 0.13 -1.97 -3.35 132.00 129.08 1k9r h PRO 42 Ca -0.45 -0.36 -0.59 0.00 -0.87 0.00 0.00 66.00 63.73 1k9r h PRO 42 Cb 1.24 0.06 -0.42 0.00 0.13 0.00 0.00 31.00 32.02 1k9r h PRO 42 CO 0.60 0.98 -0.67 0.54 -0.23 0.00 0.00 178.00 179.22 1k9r n ARG 43 N -4.31 2.85 -0.33 0.86 1.74 -1.26 -5.11 116.66 111.10 1k9r n ARG 43 Ca -0.07 -4.69 0.00 0.00 -0.77 0.00 0.00 57.85 52.32 1k9r n ARG 43 Cb 0.53 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1k9r n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74