#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9r s GLU 6 N 0.00 4.04 -0.03 -1.08 2.12 -1.26 -5.01 118.70 117.48 1k9r s GLU 6 Ca 0.00 1.43 -0.03 0.00 0.36 0.00 0.00 54.97 56.74 1k9r s GLU 6 Cb 0.00 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1k9r s GLU 6 CO 0.00 -0.96 0.14 0.42 -0.54 0.00 0.00 175.26 174.32 1k9r s ILE 7 N 4.07 5.22 0.00 -3.70 1.01 -1.26 -5.10 121.20 121.43 1k9r s ILE 7 Ca 0.56 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1k9r s ILE 7 Cb -0.19 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1k9r s ILE 7 CO 0.20 0.39 0.00 -0.81 0.00 0.00 0.00 174.94 174.72 1k9r n PRO 8 N 1.22 -0.41 -2.75 2.79 -0.04 -1.26 -4.99 135.00 129.57 1k9r n PRO 8 Ca -0.13 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.04 1k9r n PRO 8 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 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 -2.40 4.99 0.00 3.54 2.03 -1.26 -4.90 116.55 118.55 1k9r n ASP 9 Ca 0.00 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.61 1k9r n ASP 9 Cb 0.00 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 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 -0.30 0.00 -4.48 1.67 9.92 -1.26 -4.78 116.55 117.32 1k9r n ASP 10 Ca 0.36 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 54.18 1k9r n ASP 10 Cb 0.44 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.84 1k9r n ASP 10 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k9r s VAL 11 N 0.00 5.04 0.00 2.53 1.01 -1.26 -4.98 120.40 122.74 1k9r s VAL 11 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1k9r s VAL 11 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1k9r s VAL 11 CO 0.00 -0.51 0.02 -0.81 0.00 0.00 0.00 175.10 173.81 1k9r n PRO 12 N 5.72 0.00 -4.34 2.72 -0.04 -1.26 -4.98 135.00 132.82 1k9r n PRO 12 Ca -0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 1k9r n PRO 12 Cb 0.47 -0.28 -0.10 0.00 -0.04 0.00 0.00 33.50 33.54 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 -0.46 2.75 0.00 1.53 1.02 -1.26 -4.63 118.68 117.63 1k9r s LEU 13 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 54.13 53.46 1k9r s LEU 13 Cb 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 46.19 44.75 1k9r s LEU 13 CO 0.00 0.11 0.00 -0.81 0.02 0.00 0.00 176.35 175.67 1k9r n PRO 14 N 0.17 0.38 -1.48 1.29 -0.04 -1.26 -4.95 135.00 129.11 1k9r n PRO 14 Ca -0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.05 1k9r n PRO 14 Cb 0.55 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.16 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 -3.22 1.62 -0.59 0.55 0.00 -1.26 -3.62 121.76 115.24 1k9r s ALA 15 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1k9r s ALA 15 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1k9r s ALA 15 CO 0.00 -2.45 0.00 0.41 0.00 0.00 0.00 175.76 173.72 1k9r n GLY 16 N -2.08 0.63 3.52 0.00 0.00 -1.26 -4.90 105.19 101.10 1k9r n GLY 16 Ca 0.07 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.70 2.71 -0.32 1.61 0.52 -1.24 -0.90 118.94 119.62 1k9r s TRP 17 Ca 0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 55.95 1k9r s TRP 17 Cb 0.00 -1.54 0.11 0.00 -1.15 0.00 0.00 33.47 30.89 1k9r s TRP 17 CO 0.00 0.29 0.13 -1.21 0.02 0.00 0.00 176.95 176.19 1k9r s GLU 18 N -1.35 0.61 -0.04 4.98 8.01 -0.22 -4.97 118.70 125.72 1k9r s GLU 18 Ca 0.15 -1.05 -0.30 0.00 0.01 0.00 0.00 54.97 53.78 1k9r s GLU 18 Cb -0.11 -1.72 -0.05 0.00 -4.31 0.00 0.00 34.13 27.94 1k9r s GLU 18 CO 0.06 -1.04 1.52 0.00 0.01 0.00 0.00 175.26 175.80 1k9r s MET 19 N 1.55 4.22 0.00 1.61 0.23 -1.26 -1.38 119.30 124.27 1k9r s MET 19 Ca 0.11 2.06 0.00 0.00 -1.03 0.00 0.00 55.69 56.83 1k9r s MET 19 Cb -0.18 -3.77 0.00 0.00 -1.53 0.00 0.00 34.83 29.34 1k9r s MET 19 CO -0.23 -0.73 0.00 0.00 -2.03 0.00 0.00 175.02 172.04 1k9r n ALA 20 N 6.30 0.00 -2.28 3.16 0.00 0.10 -4.95 120.51 122.84 1k9r n ALA 20 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 1k9r n ALA 20 Cb 0.43 0.00 -0.10 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 1.95 0.96 0.00 0.00 -2.85 -1.26 0.12 119.74 118.65 1k9r s LYS 21 Ca 0.00 -1.36 0.00 0.00 -1.00 0.00 0.00 55.97 53.61 1k9r s LYS 21 Cb 0.00 -0.50 0.00 0.00 -2.06 0.00 0.00 37.83 35.27 1k9r s LYS 21 CO 0.00 0.05 0.00 -2.37 0.10 0.00 0.00 175.35 173.13 1k9r n THR 22 N 0.02 0.00 0.00 3.79 5.66 -0.74 -4.74 114.28 118.26 1k9r n THR 22 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1k9r n THR 22 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 -1.23 0.00 0.00 1.09 2.88 -1.26 -3.74 113.62 111.35 1k9r n SER 23 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k9r n SER 23 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k9r n SER 23 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1k9r n SER 24 N 2.12 0.00 -3.13 -3.46 7.64 -1.26 -5.02 113.62 110.51 1k9r n SER 24 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1k9r n SER 24 Cb 0.00 0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 1k9r n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k9r n GLY 25 N -0.75 2.05 3.62 0.23 0.00 -1.25 -5.09 105.19 104.01 1k9r n GLY 25 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.51 0.45 -0.21 1.61 -1.52 -1.26 -5.05 119.66 113.18 1k9r s GLN 26 Ca 0.34 0.82 -0.29 0.00 -1.95 0.00 0.00 55.36 54.28 1k9r s GLN 26 Cb 0.14 0.15 0.01 0.00 -0.22 0.00 0.00 33.01 33.09 1k9r s GLN 26 CO -0.15 -0.10 1.05 1.03 -0.25 0.00 0.00 175.29 176.87 1k9r s ARG 27 N 1.56 4.28 0.47 2.91 3.00 -1.26 -1.80 118.95 128.11 1k9r s ARG 27 Ca -0.09 1.38 0.06 0.00 0.00 0.00 0.00 55.73 57.09 1k9r s ARG 27 Cb -0.04 -3.63 -0.01 0.00 0.00 0.00 0.00 34.95 31.26 1k9r s ARG 27 CO -0.16 -0.60 0.30 1.52 0.00 0.00 0.00 175.30 176.36 1k9r s TYR 28 N 3.07 2.19 -0.29 -0.53 1.13 0.31 -4.70 117.35 118.54 1k9r s TYR 28 Ca 0.45 -0.69 0.02 0.00 -1.41 0.00 0.00 57.07 55.44 1k9r s TYR 28 Cb -0.16 -1.96 0.08 0.00 -1.10 0.00 0.00 41.96 38.82 1k9r s TYR 28 CO 0.08 -0.13 0.00 -0.06 -2.51 0.00 0.00 175.55 172.93 1k9r s PHE 29 N -2.66 2.89 -0.38 -3.49 0.40 0.28 0.02 117.98 115.04 1k9r s PHE 29 Ca 0.37 -2.28 -0.29 0.00 -0.60 0.00 0.00 56.93 54.13 1k9r s PHE 29 Cb -0.00 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.40 1k9r s PHE 29 CO 0.22 -0.87 1.34 -1.17 0.70 0.00 0.00 175.22 175.44 1k9r s LEU 30 N 1.22 3.69 -0.49 -0.37 2.96 -0.48 -1.62 118.68 123.59 1k9r s LEU 30 Ca 0.02 0.92 -0.21 0.00 -0.22 0.00 0.00 54.13 54.64 1k9r s LEU 30 Cb -0.19 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.00 1k9r s LEU 30 CO -0.10 -1.29 0.73 0.21 -1.32 0.00 0.00 176.35 174.57 1k9r s ASN 31 N 3.39 6.31 0.00 3.68 3.84 0.31 -1.05 114.94 131.41 1k9r s ASN 31 Ca 0.58 -0.50 0.30 0.00 0.21 0.00 0.00 52.86 53.45 1k9r s ASN 31 Cb -0.14 -2.35 1.53 0.00 -0.55 0.00 0.00 41.25 39.75 1k9r s ASN 31 CO 0.29 -0.94 2.03 1.41 -2.79 0.00 0.00 177.10 177.10 1k9r n HIS 32 N 6.58 0.00 -0.07 0.43 8.25 -0.08 -1.32 115.22 129.01 1k9r n HIS 32 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 1k9r n HIS 32 Cb 0.47 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.44 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 0.38 0.00 -0.59 1.59 2.04 -1.90 -3.37 117.51 115.66 1k9r h ILE 33 Ca 0.00 -1.00 -0.12 0.00 1.00 0.00 0.00 64.86 64.74 1k9r h ILE 33 Cb 0.22 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.23 1k9r h ILE 33 CO 0.00 0.00 0.16 0.47 0.00 0.00 0.00 178.15 178.78 1k9r n ASP 34 N -4.64 4.65 -3.31 1.72 8.00 -1.26 -4.97 116.55 116.76 1k9r n ASP 34 Ca -0.06 -2.96 -0.25 0.00 0.71 0.00 0.00 54.79 52.23 1k9r n ASP 34 Cb 0.23 -0.70 0.01 0.00 -0.02 0.00 0.00 41.12 40.65 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 0.13 -1.37 -3.67 -1.24 10.64 -0.44 -4.97 117.38 116.47 1k9r n GLN 35 Ca 0.31 0.83 -0.10 0.00 -1.83 0.00 0.00 57.00 56.21 1k9r n GLN 35 Cb 1.19 -1.69 -0.04 0.00 -0.86 0.00 0.00 30.24 28.84 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 -2.08 0.05 -0.20 -0.39 -4.23 -0.60 -4.96 115.64 103.23 1k9r s THR 36 Ca 0.14 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 60.02 1k9r s THR 36 Cb -0.01 -1.34 0.04 0.00 1.34 0.00 0.00 72.50 72.52 1k9r s THR 36 CO 0.71 -0.21 -0.13 0.42 -0.54 0.00 0.00 174.62 174.88 1k9r s THR 37 N -3.83 1.82 -0.06 3.99 -4.23 -1.26 0.12 115.64 112.18 1k9r s THR 37 Ca 0.06 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1k9r s THR 37 Cb 0.01 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 1k9r s THR 37 CO -0.08 0.23 -0.15 0.28 -0.54 0.00 0.00 174.62 174.36 1k9r s THR 38 N 1.33 2.96 0.04 3.99 -1.32 -0.64 -4.83 115.64 117.17 1k9r s THR 38 Ca -0.01 -0.75 -0.19 0.00 -1.21 0.00 0.00 61.69 59.53 1k9r s THR 38 Cb -0.16 -2.17 -0.15 0.00 -1.51 0.00 0.00 72.50 68.51 1k9r s THR 38 CO -0.09 0.58 1.30 -0.50 -2.21 0.00 0.00 174.62 173.70 1k9r h TRP 39 N 5.62 0.53 -1.46 9.09 4.06 -1.88 0.81 115.95 132.72 1k9r h TRP 39 Ca -0.42 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.34 1k9r h TRP 39 Cb 1.16 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 1k9r h TRP 39 CO 0.49 0.88 0.00 1.04 -3.56 0.00 0.00 178.44 177.29 1k9r n GLN 40 N -4.44 1.12 -4.43 0.49 6.02 -1.26 -4.45 117.38 110.43 1k9r n GLN 40 Ca -0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.70 1k9r n GLN 40 Cb 0.45 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.57 1k9r n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k9r s ASP 41 N -1.00 2.14 0.30 1.08 1.01 -1.26 -4.65 116.67 114.29 1k9r s ASP 41 Ca 0.00 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.72 1k9r s ASP 41 Cb 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.79 1k9r s ASP 41 CO 0.00 0.08 0.00 -0.81 0.21 0.00 0.00 175.17 174.65 1k9r n PRO 42 N 1.66 0.47 -3.64 8.23 -0.04 -1.26 -4.54 135.00 135.87 1k9r n PRO 42 Ca -0.18 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.04 1k9r n PRO 42 Cb 0.54 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.04 1k9r n PRO 42 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1k9r n ARG 43 N -0.42 -3.26 -0.33 0.54 0.63 -1.26 -4.92 116.66 107.64 1k9r n ARG 43 Ca 0.00 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 1k9r n ARG 43 Cb 0.00 -4.90 0.00 0.00 0.45 0.00 0.00 32.46 28.01 1k9r n ARG 43 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29