#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 1.30 -2.80 -1.08 2.13 -1.26 -5.07 120.64 113.87 1k9r n GLU 6 Ca 0.00 -2.21 -0.03 0.00 0.66 0.00 0.00 57.16 55.59 1k9r n GLU 6 Cb 0.00 -0.40 -0.02 0.00 0.27 0.00 0.00 31.44 31.29 1k9r n GLU 6 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1k9r n ILE 7 N -0.72 -8.99 0.00 6.31 2.08 -1.26 -4.98 119.36 111.79 1k9r n ILE 7 Ca -0.03 1.75 0.00 0.00 0.56 0.00 0.00 62.75 65.03 1k9r n ILE 7 Cb 0.84 -5.38 0.00 0.00 -0.75 0.00 0.00 39.64 34.36 1k9r n ILE 7 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1k9r n PRO 8 N 1.64 0.00 -0.05 0.38 -0.04 -1.26 -4.85 135.00 130.82 1k9r n PRO 8 Ca -0.20 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.22 1k9r n PRO 8 Cb 0.36 -0.33 -0.01 0.00 -0.04 0.00 0.00 33.50 33.48 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 -0.12 1.25 0.09 3.54 -0.08 -1.26 -5.05 116.55 114.91 1k9r n ASP 9 Ca 0.00 0.46 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1k9r n ASP 9 Cb 0.00 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1k9r n ASP 9 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1k9r n ASP 10 N -3.86 -1.64 -4.59 1.67 2.03 -1.26 -5.09 116.55 103.81 1k9r n ASP 10 Ca -0.06 0.61 -0.50 0.00 0.52 0.00 0.00 54.79 55.37 1k9r n ASP 10 Cb 0.21 1.79 -0.06 0.00 -0.72 0.00 0.00 41.12 42.35 1k9r n ASP 10 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1k9r n VAL 11 N -3.09 0.37 0.00 5.18 0.31 -1.26 -4.90 118.33 114.94 1k9r n VAL 11 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1k9r n VAL 11 Cb 0.00 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1k9r n VAL 11 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1k9r n PRO 12 N 7.35 0.00 -1.63 5.55 -0.04 -1.26 -4.90 135.00 140.08 1k9r n PRO 12 Ca 0.31 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.47 1k9r n PRO 12 Cb 0.27 -0.30 0.06 0.00 -0.04 0.00 0.00 33.50 33.50 1k9r n PRO 12 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k9r s LEU 13 N -0.29 2.88 0.00 1.53 1.02 -1.26 -4.43 118.68 118.13 1k9r s LEU 13 Ca 0.00 1.40 -0.02 0.00 0.02 0.00 0.00 54.13 55.54 1k9r s LEU 13 Cb 0.00 -4.17 0.02 0.00 0.02 0.00 0.00 46.19 42.06 1k9r s LEU 13 CO 0.00 -1.61 0.09 -0.81 0.02 0.00 0.00 176.35 174.04 1k9r n PRO 14 N -3.22 -0.93 -1.29 1.29 -0.04 -1.26 -4.96 135.00 124.59 1k9r n PRO 14 Ca 0.07 -0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 1k9r n PRO 14 Cb 0.55 -0.13 0.17 0.00 -0.04 0.00 0.00 33.50 34.05 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 1.18 -0.02 0.55 0.00 -1.26 -3.56 121.76 115.41 1k9r s ALA 15 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1k9r s ALA 15 Cb -0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1k9r s ALA 15 CO 0.04 -2.76 0.00 0.41 0.00 0.00 0.00 175.76 173.46 1k9r n GLY 16 N -1.50 0.22 3.66 0.00 0.00 -1.26 -4.88 105.19 101.43 1k9r n GLY 16 Ca 0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.42 2.85 -0.46 1.61 0.52 -1.23 0.77 118.94 121.58 1k9r s TRP 17 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.02 1k9r s TRP 17 Cb 0.00 -1.38 0.16 0.00 -1.15 0.00 0.00 33.47 31.10 1k9r s TRP 17 CO 0.00 0.51 0.33 -2.00 0.02 0.00 0.00 176.95 175.81 1k9r s GLU 18 N -2.91 1.18 -0.00 4.98 -6.30 0.15 -4.89 118.70 110.92 1k9r s GLU 18 Ca 0.27 -2.19 -0.30 0.00 -2.50 0.00 0.00 54.97 50.26 1k9r s GLU 18 Cb -0.09 -1.90 -0.07 0.00 0.00 0.00 0.00 34.13 32.06 1k9r s GLU 18 CO 0.18 -1.30 1.83 0.00 0.02 0.00 0.00 175.26 175.99 1k9r s MET 19 N 0.00 4.16 0.00 4.30 0.23 -1.26 -1.29 119.30 125.44 1k9r s MET 19 Ca 0.27 2.42 0.00 0.00 -1.03 0.00 0.00 55.69 57.35 1k9r s MET 19 Cb -0.06 -4.08 0.00 0.00 -1.53 0.00 0.00 34.83 29.15 1k9r s MET 19 CO -0.13 -0.91 0.00 0.00 -2.03 0.00 0.00 175.02 171.96 1k9r n ALA 20 N 7.35 0.00 -3.44 3.16 0.00 0.28 -4.94 120.51 122.91 1k9r n ALA 20 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1k9r n ALA 20 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 3.28 1.27 0.00 0.00 -2.85 -1.26 -1.15 119.74 119.03 1k9r s LYS 21 Ca 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 1k9r s LYS 21 Cb 0.00 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1k9r s LYS 21 CO 0.00 -0.56 0.00 -2.37 0.10 0.00 0.00 175.35 172.52 1k9r n THR 22 N -0.38 0.00 -1.91 3.79 5.66 -0.62 -4.69 114.28 116.14 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 0.65 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1k9r n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1k9r n SER 23 N 0.00 0.00 -0.00 1.09 7.64 -1.26 -3.46 113.62 117.62 1k9r n SER 23 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1k9r n SER 23 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1k9r n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1k9r n SER 24 N -2.64 0.73 -2.67 6.43 2.88 -1.26 -4.87 113.62 112.21 1k9r n SER 24 Ca 0.00 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 1k9r n SER 24 Cb 0.00 1.31 0.02 0.00 -0.75 0.00 0.00 64.21 64.79 1k9r n SER 24 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1k9r s GLY 25 N -3.37 -1.74 -0.30 0.46 0.00 -1.22 -5.16 107.32 95.98 1k9r s GLY 25 Ca 0.03 1.25 -0.19 0.00 0.00 0.00 0.00 44.72 45.81 1k9r s GLY 25 CO 0.83 4.43 1.28 1.62 0.00 0.00 0.00 173.10 181.25 1k9r s GLN 26 N 1.67 0.11 0.27 2.90 2.00 -1.24 -5.03 119.66 120.33 1k9r s GLN 26 Ca 0.17 0.16 -0.29 0.00 -2.00 0.00 0.00 55.36 53.40 1k9r s GLN 26 Cb 0.08 0.03 -0.09 0.00 0.80 0.00 0.00 33.01 33.83 1k9r s GLN 26 CO -0.15 -0.02 1.16 1.03 -0.50 0.00 0.00 175.29 176.81 1k9r s ARG 27 N 0.72 4.56 0.25 1.67 3.00 -1.26 -1.59 118.95 126.30 1k9r s ARG 27 Ca -0.03 1.90 0.02 0.00 0.00 0.00 0.00 55.73 57.62 1k9r s ARG 27 Cb -0.03 -3.18 -0.05 0.00 0.00 0.00 0.00 34.95 31.69 1k9r s ARG 27 CO -0.12 0.08 0.05 1.52 0.00 0.00 0.00 175.30 176.83 1k9r s TYR 28 N -0.95 1.54 -0.30 -0.53 1.13 -0.30 -4.67 117.35 113.26 1k9r s TYR 28 Ca 0.47 -1.07 0.03 0.00 -1.41 0.00 0.00 57.07 55.09 1k9r s TYR 28 Cb -0.34 -0.92 0.09 0.00 -1.10 0.00 0.00 41.96 39.69 1k9r s TYR 28 CO 0.43 -0.20 0.01 -0.06 -2.51 0.00 0.00 175.55 173.21 1k9r s PHE 29 N -3.60 3.21 -0.51 -3.49 0.40 0.61 0.99 117.98 115.59 1k9r s PHE 29 Ca 0.33 -2.53 -0.28 0.00 -0.60 0.00 0.00 56.93 53.85 1k9r s PHE 29 Cb 0.07 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 41.24 1k9r s PHE 29 CO 0.11 -0.90 1.37 -1.17 0.70 0.00 0.00 175.22 175.32 1k9r s LEU 30 N 1.10 3.49 -0.40 -0.37 2.96 -0.41 -1.57 118.68 123.48 1k9r s LEU 30 Ca 0.04 0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 54.18 1k9r s LEU 30 Cb -0.19 -3.28 0.02 0.00 0.50 0.00 0.00 46.19 43.24 1k9r s LEU 30 CO -0.09 -1.55 0.81 0.21 -1.32 0.00 0.00 176.35 174.41 1k9r s ASN 31 N 3.94 6.51 0.29 3.68 3.84 0.27 0.31 114.94 133.79 1k9r s ASN 31 Ca 0.54 0.20 0.26 0.00 0.21 0.00 0.00 52.86 54.07 1k9r s ASN 31 Cb -0.11 -2.40 0.75 0.00 -0.55 0.00 0.00 41.25 38.94 1k9r s ASN 31 CO 0.28 -0.84 1.74 0.45 -2.79 0.00 0.00 177.10 175.95 1k9r h HIS 32 N 8.71 0.00 0.00 0.43 3.86 0.07 0.22 115.15 128.43 1k9r h HIS 32 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1k9r h HIS 32 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1k9r h HIS 32 CO 0.81 0.00 -0.05 0.82 0.86 0.00 0.00 177.93 180.37 1k9r h ILE 33 N 0.00 0.00 0.00 2.45 2.04 -1.88 -3.34 117.51 116.78 1k9r h ILE 33 Ca 0.00 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1k9r h ILE 33 Cb 0.74 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1k9r h ILE 33 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.62 1k9r n ASP 34 N -3.13 0.00 -3.36 1.72 8.00 -1.26 -4.92 116.55 113.59 1k9r n ASP 34 Ca -0.01 -0.66 -0.12 0.00 0.71 0.00 0.00 54.79 54.71 1k9r n ASP 34 Cb 0.02 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9r n GLN 35 N -1.07 -1.42 -3.24 -1.24 6.02 0.67 -5.00 117.38 112.09 1k9r n GLN 35 Ca 0.19 1.11 -0.08 0.00 -0.01 0.00 0.00 57.00 58.21 1k9r n GLN 35 Cb 0.13 -4.55 0.01 0.00 1.02 0.00 0.00 30.24 26.85 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 -2.41 0.00 -3.68 5.09 -1.04 -0.58 -4.94 114.28 106.71 1k9r n THR 36 Ca -0.11 -0.92 -0.26 0.00 -2.04 0.00 0.00 64.05 60.71 1k9r n THR 36 Cb 0.58 0.80 -0.17 0.00 -1.82 0.00 0.00 70.33 69.72 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 -2.40 0.22 -0.09 12.58 -4.23 -1.26 0.97 115.64 121.44 1k9r s THR 37 Ca 0.15 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1k9r s THR 37 Cb -0.03 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 1k9r s THR 37 CO 0.11 -0.20 -0.11 0.28 -0.54 0.00 0.00 174.62 174.16 1k9r s THR 38 N 2.00 3.28 0.16 3.99 -1.32 -0.61 -4.80 115.64 118.34 1k9r s THR 38 Ca 0.01 -0.61 -0.12 0.00 -1.21 0.00 0.00 61.69 59.75 1k9r s THR 38 Cb -0.16 -2.34 0.05 0.00 -1.51 0.00 0.00 72.50 68.54 1k9r s THR 38 CO -0.08 0.56 1.70 -0.50 -2.21 0.00 0.00 174.62 174.09 1k9r h TRP 39 N 5.93 0.88 -1.21 9.09 4.06 -1.88 0.18 115.95 132.99 1k9r h TRP 39 Ca -0.38 -0.08 0.19 0.00 2.06 0.00 0.00 58.89 60.67 1k9r h TRP 39 Cb 1.18 -0.26 -0.27 0.00 -1.00 0.00 0.00 29.16 28.82 1k9r h TRP 39 CO 0.52 0.74 0.82 -0.65 -3.56 0.00 0.00 178.44 176.30 1k9r s GLN 40 N -5.44 0.22 0.04 0.49 -0.21 -1.26 -4.48 119.66 109.02 1k9r s GLN 40 Ca -0.13 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1k9r s GLN 40 Cb 0.12 0.11 0.00 0.00 1.00 0.00 0.00 33.01 34.24 1k9r s GLN 40 CO 0.79 -0.07 0.00 -0.25 -2.12 0.00 0.00 175.29 173.65 1k9r n ASP 41 N 0.69 -0.37 0.00 5.90 8.00 -1.26 -5.06 116.55 124.45 1k9r n ASP 41 Ca -0.04 0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1k9r n ASP 41 Cb 0.58 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 1k9r n ASP 41 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1k9r n PRO 42 N -3.01 0.00 -4.37 -0.24 -0.04 -1.26 -4.96 135.00 121.13 1k9r n PRO 42 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1k9r n PRO 42 Cb 0.00 -0.35 -0.11 0.00 -0.04 0.00 0.00 33.50 33.00 1k9r n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1k9r s ARG 43 N -0.11 1.77 0.00 0.54 3.00 -1.26 -4.87 118.95 118.01 1k9r s ARG 43 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 55.73 54.30 1k9r s ARG 43 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 34.95 32.97 1k9r s ARG 43 CO 0.00 0.41 0.00 1.17 0.00 0.00 0.00 175.30 176.88