#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 -2.00 -1.81 -1.08 2.13 -1.26 -4.73 120.64 111.90 1k9r n GLU 6 Ca 0.00 1.35 -0.32 0.00 0.66 0.00 0.00 57.16 58.85 1k9r n GLU 6 Cb 0.00 -2.46 0.03 0.00 0.27 0.00 0.00 31.44 29.29 1k9r n GLU 6 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1k9r s ILE 7 N -2.09 3.83 0.51 6.31 -5.25 -1.26 -5.04 121.20 118.22 1k9r s ILE 7 Ca 0.00 0.75 -0.09 0.00 -0.99 0.00 0.00 60.65 60.32 1k9r s ILE 7 Cb 0.00 -3.35 0.13 0.00 2.95 0.00 0.00 42.46 42.19 1k9r s ILE 7 CO 0.00 -0.63 0.51 -0.81 -1.79 0.00 0.00 174.94 172.22 1k9r n PRO 8 N -2.55 -1.60 -2.70 0.37 -0.04 -1.26 -5.04 135.00 122.18 1k9r n PRO 8 Ca 0.08 -0.80 -0.06 0.00 -0.04 0.00 0.00 63.50 62.68 1k9r n PRO 8 Cb 0.53 -0.69 0.09 0.00 -0.04 0.00 0.00 33.50 33.39 1k9r n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1k9r n ASP 9 N -3.71 -0.41 0.00 3.54 2.03 -1.26 -4.96 116.55 111.78 1k9r n ASP 9 Ca 0.07 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.92 1k9r n ASP 9 Cb 0.26 0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1k9r n ASP 9 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1k9r n ASP 10 N -0.57 0.00 -4.09 1.67 9.92 -1.26 -4.92 116.55 117.30 1k9r n ASP 10 Ca -0.00 0.30 -0.19 0.00 -0.53 0.00 0.00 54.79 54.37 1k9r n ASP 10 Cb 0.84 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 41.18 1k9r n ASP 10 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1k9r s VAL 11 N -0.59 0.89 0.08 2.53 0.11 -1.26 -5.04 120.40 117.11 1k9r s VAL 11 Ca 0.00 -0.76 -0.15 0.00 -2.93 0.00 0.00 61.98 58.14 1k9r s VAL 11 Cb 0.00 -0.80 -0.15 0.00 -1.53 0.00 0.00 36.38 33.90 1k9r s VAL 11 CO 0.00 0.04 1.29 1.55 -3.33 0.00 0.00 175.10 174.66 1k9r h PRO 12 N 5.29 0.67 -3.60 1.54 0.13 -1.91 -3.44 132.00 130.67 1k9r h PRO 12 Ca -0.35 -0.51 -0.14 0.00 -0.87 0.00 0.00 66.00 64.13 1k9r h PRO 12 Cb 1.18 0.09 -0.20 0.00 0.13 0.00 0.00 31.00 32.21 1k9r h PRO 12 CO 0.46 1.13 -0.50 -0.51 -0.23 0.00 0.00 178.00 178.35 1k9r s LEU 13 N -8.59 1.63 0.00 1.56 1.02 -1.26 -4.44 118.68 108.60 1k9r s LEU 13 Ca -0.12 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1k9r s LEU 13 Cb 0.07 0.65 0.00 0.00 0.02 0.00 0.00 46.19 46.93 1k9r s LEU 13 CO 0.86 -0.41 0.00 -0.81 0.02 0.00 0.00 176.35 176.01 1k9r n PRO 14 N 1.25 -0.45 -1.38 1.29 -0.04 -1.26 -4.96 135.00 129.45 1k9r n PRO 14 Ca -0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.96 1k9r n PRO 14 Cb 0.56 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.18 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 -3.23 1.41 -0.59 0.55 0.00 -1.26 -3.58 121.76 115.06 1k9r s ALA 15 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1k9r s ALA 15 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1k9r s ALA 15 CO 0.00 -2.53 0.00 0.41 0.00 0.00 0.00 175.76 173.64 1k9r n GLY 16 N -1.73 0.67 3.47 0.00 0.00 -1.26 -4.73 105.19 101.61 1k9r n GLY 16 Ca 0.06 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.78 2.63 -0.38 1.61 0.52 -1.23 0.10 118.94 120.41 1k9r s TRP 17 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 56.10 55.92 1k9r s TRP 17 Cb 0.00 -1.53 0.12 0.00 -1.15 0.00 0.00 33.47 30.91 1k9r s TRP 17 CO 0.00 0.23 0.18 -1.21 0.02 0.00 0.00 176.95 176.17 1k9r s GLU 18 N -1.20 0.99 -0.04 4.98 8.01 -0.34 -4.94 118.70 126.15 1k9r s GLU 18 Ca 0.14 -1.57 -0.30 0.00 0.01 0.00 0.00 54.97 53.24 1k9r s GLU 18 Cb -0.11 -2.09 -0.05 0.00 -4.31 0.00 0.00 34.13 27.57 1k9r s GLU 18 CO 0.04 -1.10 1.51 0.00 0.01 0.00 0.00 175.26 175.72 1k9r s MET 19 N 0.92 4.23 0.00 1.61 0.23 -1.26 -1.32 119.30 123.70 1k9r s MET 19 Ca 0.15 2.05 0.00 0.00 -1.03 0.00 0.00 55.69 56.85 1k9r s MET 19 Cb -0.22 -3.76 0.00 0.00 -1.53 0.00 0.00 34.83 29.32 1k9r s MET 19 CO -0.09 -0.72 0.00 0.00 -2.03 0.00 0.00 175.02 172.18 1k9r n ALA 20 N 6.24 0.00 -2.39 3.16 0.00 0.67 -4.96 120.51 123.23 1k9r n ALA 20 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 1k9r n ALA 20 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 1k9r n ALA 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1k9r s LYS 21 N 1.90 1.16 0.00 0.00 -2.85 -1.26 0.12 119.74 118.80 1k9r s LYS 21 Ca 0.00 -1.41 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 1k9r s LYS 21 Cb 0.00 -0.97 0.00 0.00 -2.06 0.00 0.00 37.83 34.80 1k9r s LYS 21 CO 0.00 0.17 0.00 -2.37 0.10 0.00 0.00 175.35 173.25 1k9r n THR 22 N 0.07 0.00 -0.29 3.79 5.66 -0.82 -4.73 114.28 117.97 1k9r n THR 22 Ca -0.12 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.59 1k9r n THR 22 Cb 0.59 0.00 0.28 0.00 -1.55 0.00 0.00 70.33 69.64 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 -0.27 -3.82 0.00 1.09 2.88 -1.26 -3.51 113.62 108.73 1k9r n SER 23 Ca 0.00 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 1k9r n SER 23 Cb 0.00 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 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 -5.18 0.00 0.00 -3.46 2.88 -1.26 -3.64 113.62 102.96 1k9r n SER 24 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1k9r n SER 24 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.00 1.00 3.30 0.46 0.00 -1.23 -5.15 105.19 103.57 1k9r n GLY 25 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.20 -0.28 1.61 -1.52 -1.24 -5.01 119.66 114.43 1k9r s GLN 26 Ca 0.00 -1.44 -0.26 0.00 -1.95 0.00 0.00 55.36 51.70 1k9r s GLN 26 Cb 0.00 -1.05 0.01 0.00 -0.22 0.00 0.00 33.01 31.75 1k9r s GLN 26 CO 0.00 0.19 0.93 1.03 -0.25 0.00 0.00 175.29 177.19 1k9r s ARG 27 N -3.22 4.11 0.53 2.91 3.00 -1.26 -1.94 118.95 123.08 1k9r s ARG 27 Ca 0.17 0.98 0.08 0.00 0.00 0.00 0.00 55.73 56.96 1k9r s ARG 27 Cb -0.02 -3.69 0.06 0.00 0.00 0.00 0.00 34.95 31.29 1k9r s ARG 27 CO 0.05 -0.69 0.64 1.52 0.00 0.00 0.00 175.30 176.82 1k9r s TYR 28 N 3.18 1.75 -0.34 -0.53 1.13 0.32 -4.67 117.35 118.19 1k9r s TYR 28 Ca 0.39 -0.69 0.01 0.00 -1.41 0.00 0.00 57.07 55.38 1k9r s TYR 28 Cb -0.14 -2.16 0.10 0.00 -1.10 0.00 0.00 41.96 38.66 1k9r s TYR 28 CO 0.11 -0.81 0.09 -0.06 -2.51 0.00 0.00 175.55 172.36 1k9r s PHE 29 N -2.63 2.62 -0.41 -3.49 0.40 0.39 -0.24 117.98 114.61 1k9r s PHE 29 Ca 0.53 -2.34 -0.28 0.00 -0.60 0.00 0.00 56.93 54.24 1k9r s PHE 29 Cb -0.05 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 1k9r s PHE 29 CO 0.33 -0.90 1.85 -0.51 0.70 0.00 0.00 175.22 176.69 1k9r s LEU 30 N 1.20 3.45 -0.51 -0.37 1.43 -0.44 -1.93 118.68 121.51 1k9r s LEU 30 Ca 0.11 1.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.98 1k9r s LEU 30 Cb -0.19 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1k9r s LEU 30 CO -0.16 -1.94 1.31 0.21 0.23 0.00 0.00 176.35 175.99 1k9r s ASN 31 N 6.94 6.37 0.07 2.29 3.84 0.34 -1.20 114.94 133.59 1k9r s ASN 31 Ca 0.78 0.44 0.12 0.00 0.21 0.00 0.00 52.86 54.40 1k9r s ASN 31 Cb -0.20 -2.55 -0.17 0.00 -0.55 0.00 0.00 41.25 37.78 1k9r s ASN 31 CO 0.30 -1.49 1.00 -0.74 -2.79 0.00 0.00 177.10 173.38 1k9r h HIS 32 N 10.24 0.00 -0.91 0.43 2.76 0.41 0.40 115.15 128.48 1k9r h HIS 32 Ca -0.26 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.07 1k9r h HIS 32 Cb 1.08 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.94 1k9r h HIS 32 CO 1.00 0.88 0.51 -0.84 -1.30 0.00 0.00 177.93 178.18 1k9r h ILE 33 N 0.00 0.75 0.00 6.26 3.07 -1.77 -3.09 117.51 122.73 1k9r h ILE 33 Ca -0.14 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.03 1k9r h ILE 33 Cb 1.79 -0.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 1k9r h ILE 33 CO 0.09 0.13 -0.26 0.47 -1.05 0.00 0.00 178.15 177.53 1k9r n ASP 34 N -4.81 0.75 -2.87 2.16 9.92 -1.25 -5.07 116.55 115.39 1k9r n ASP 34 Ca 0.19 -2.14 -0.04 0.00 -0.53 0.00 0.00 54.79 52.27 1k9r n ASP 34 Cb 0.46 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 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 -0.41 -2.70 -2.55 -1.24 6.02 0.10 -5.05 117.38 111.56 1k9r n GLN 35 Ca 0.04 2.28 -0.05 0.00 -0.01 0.00 0.00 57.00 59.26 1k9r n GLN 35 Cb 0.62 -4.62 0.01 0.00 1.02 0.00 0.00 30.24 27.28 1k9r n GLN 35 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1k9r n THR 36 N 0.52 0.00 -3.50 5.09 -1.04 0.80 -4.92 114.28 111.22 1k9r n THR 36 Ca 0.02 -0.58 -0.07 0.00 -2.04 0.00 0.00 64.05 61.39 1k9r n THR 36 Cb 0.22 0.55 -0.08 0.00 -1.82 0.00 0.00 70.33 69.20 1k9r n THR 36 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1k9r s THR 37 N -2.52 -0.69 0.20 12.58 -4.23 -1.26 0.13 115.64 119.85 1k9r s THR 37 Ca 0.09 0.06 0.10 0.00 -1.18 0.00 0.00 61.69 60.76 1k9r s THR 37 Cb -0.03 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 1k9r s THR 37 CO 0.07 -0.01 -0.11 0.28 -0.54 0.00 0.00 174.62 174.31 1k9r s THR 38 N 2.64 3.05 -0.11 3.99 -1.32 -0.81 -4.82 115.64 118.25 1k9r s THR 38 Ca 0.05 -1.79 -0.07 0.00 -1.21 0.00 0.00 61.69 58.67 1k9r s THR 38 Cb -0.13 -2.53 -0.27 0.00 -1.51 0.00 0.00 72.50 68.06 1k9r s THR 38 CO -0.15 -0.16 0.39 -0.50 -2.21 0.00 0.00 174.62 171.99 1k9r h TRP 39 N 2.80 0.50 -1.23 9.09 4.06 -1.90 1.12 115.95 130.39 1k9r h TRP 39 Ca -0.46 -0.36 0.17 0.00 2.06 0.00 0.00 58.89 60.30 1k9r h TRP 39 Cb 1.21 -0.02 -0.31 0.00 -1.00 0.00 0.00 29.16 29.04 1k9r h TRP 39 CO 0.67 1.78 0.64 -1.14 -3.56 0.00 0.00 178.44 176.83 1k9r s GLN 40 N -2.56 0.16 0.05 0.49 0.74 -1.26 -4.67 119.66 112.62 1k9r s GLN 40 Ca -0.22 0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.46 1k9r s GLN 40 Cb 0.06 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.21 1k9r s GLN 40 CO 0.77 -0.03 0.00 -0.25 -0.55 0.00 0.00 175.29 175.23 1k9r n ASP 41 N 3.11 -0.43 -4.75 6.67 8.00 -1.26 -5.13 116.55 122.76 1k9r n ASP 41 Ca -0.17 0.53 -0.41 0.00 0.71 0.00 0.00 54.79 55.45 1k9r n ASP 41 Cb 0.57 0.83 -0.04 0.00 -0.02 0.00 0.00 41.12 42.46 1k9r n ASP 41 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1k9r s PRO 42 N -2.00 4.52 0.24 -0.24 0.04 -1.26 -4.81 135.00 131.49 1k9r s PRO 42 Ca 0.00 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1k9r s PRO 42 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1k9r s PRO 42 CO 0.00 0.01 0.00 0.54 0.04 0.00 0.00 177.00 177.59 1k9r n ARG 43 N 1.65 -2.00 0.00 4.56 5.12 -1.26 -4.88 116.66 119.85 1k9r n ARG 43 Ca 0.01 1.33 0.02 0.00 -1.93 0.00 0.00 57.85 57.29 1k9r n ARG 43 Cb 0.44 -2.45 0.13 0.00 -1.16 0.00 0.00 32.46 29.42 1k9r n ARG 43 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06