#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 -1.61 -4.85 -4.13 2.13 -1.26 -4.83 120.64 106.09 1k9r n GLU 6 Ca 0.00 1.06 -0.28 0.00 0.66 0.00 0.00 57.16 58.60 1k9r n GLU 6 Cb 0.00 -1.96 -0.15 0.00 0.27 0.00 0.00 31.44 29.60 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 -1.49 1.88 1.01 6.31 -5.25 -1.26 -5.13 121.20 117.26 1k9r s ILE 7 Ca 0.00 -1.22 -0.14 0.00 -0.99 0.00 0.00 60.65 58.29 1k9r s ILE 7 Cb 0.00 -1.60 0.20 0.00 2.95 0.00 0.00 42.46 44.00 1k9r s ILE 7 CO 0.00 0.33 1.14 -2.16 -1.79 0.00 0.00 174.94 172.46 1k9r s PRO 8 N -1.06 0.30 -0.58 0.37 0.04 -1.26 -4.99 135.00 127.82 1k9r s PRO 8 Ca 0.09 0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.33 1k9r s PRO 8 Cb -0.09 -1.75 0.38 0.00 0.04 0.00 0.00 34.50 33.08 1k9r s PRO 8 CO 0.01 -2.74 1.28 -3.47 0.04 0.00 0.00 177.00 172.12 1k9r n ASP 9 N -4.12 5.31 0.06 6.66 -0.08 -1.26 -4.70 116.55 118.42 1k9r n ASP 9 Ca 0.09 -3.73 0.11 0.00 -1.51 0.00 0.00 54.79 49.75 1k9r n ASP 9 Cb 0.59 -0.63 -0.07 0.00 2.34 0.00 0.00 41.12 43.35 1k9r n ASP 9 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1k9r n ASP 10 N -0.41 0.49 -4.49 1.67 8.00 -1.26 -4.89 116.55 115.66 1k9r n ASP 10 Ca 0.40 0.18 -0.50 0.00 0.71 0.00 0.00 54.79 55.59 1k9r n ASP 10 Cb 0.50 1.10 -0.06 0.00 -0.02 0.00 0.00 41.12 42.64 1k9r n ASP 10 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k9r n VAL 11 N -2.49 0.24 0.00 2.53 0.31 -1.26 -4.93 118.33 112.72 1k9r n VAL 11 Ca -0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1k9r n VAL 11 Cb 0.56 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 8.12 1.18 -4.14 5.55 -0.04 -1.26 -4.89 135.00 139.53 1k9r n PRO 12 Ca 0.38 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.57 1k9r n PRO 12 Cb 0.26 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.66 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 0.00 3.58 0.00 1.53 1.02 -1.26 -4.75 118.68 118.80 1k9r s LEU 13 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.91 1k9r s LEU 13 Cb 0.00 -2.22 0.00 0.00 0.02 0.00 0.00 46.19 43.99 1k9r s LEU 13 CO 0.00 0.08 0.00 -0.81 0.02 0.00 0.00 176.35 175.64 1k9r n PRO 14 N -0.20 0.15 -1.44 1.29 -0.04 -1.26 -4.95 135.00 128.55 1k9r n PRO 14 Ca -0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 1k9r n PRO 14 Cb 0.55 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.15 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 1.54 -0.47 0.55 0.00 -1.26 -3.58 121.76 115.31 1k9r s ALA 15 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1k9r s ALA 15 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1k9r s ALA 15 CO 0.00 -2.44 0.00 0.41 0.00 0.00 0.00 175.76 173.73 1k9r n GLY 16 N -1.92 0.54 3.53 0.00 0.00 -1.26 -4.90 105.19 101.20 1k9r n GLY 16 Ca 0.06 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.64 2.73 -0.34 1.61 0.52 -1.23 -0.59 118.94 119.99 1k9r s TRP 17 Ca 0.00 -0.15 -0.01 0.00 0.02 0.00 0.00 56.10 55.97 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 0.33 0.16 -1.21 0.02 0.00 0.00 176.95 176.24 1k9r s GLU 18 N -1.51 0.67 0.04 4.98 8.01 -0.13 -4.96 118.70 125.79 1k9r s GLU 18 Ca 0.17 -1.19 -0.30 0.00 0.01 0.00 0.00 54.97 53.65 1k9r s GLU 18 Cb -0.11 -1.70 -0.07 0.00 -4.31 0.00 0.00 34.13 27.94 1k9r s GLU 18 CO 0.07 -1.08 1.59 0.00 0.01 0.00 0.00 175.26 175.85 1k9r s MET 19 N 1.35 4.22 0.00 1.61 0.23 -1.26 -1.33 119.30 124.12 1k9r s MET 19 Ca 0.13 2.22 0.00 0.00 -1.03 0.00 0.00 55.69 57.01 1k9r s MET 19 Cb -0.20 -3.62 0.00 0.00 -1.53 0.00 0.00 34.83 29.48 1k9r s MET 19 CO -0.17 -0.70 0.00 0.00 -2.03 0.00 0.00 175.02 172.12 1k9r n ALA 20 N 5.66 0.00 -2.32 3.16 0.00 0.16 -4.93 120.51 122.24 1k9r n ALA 20 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 1k9r n ALA 20 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 1.84 1.25 0.47 0.00 2.20 -1.26 0.13 119.74 124.37 1k9r s LYS 21 Ca 0.00 -1.54 0.03 0.00 -0.36 0.00 0.00 55.97 54.09 1k9r s LYS 21 Cb 0.00 -0.97 -0.01 0.00 -1.51 0.00 0.00 37.83 35.34 1k9r s LYS 21 CO 0.00 0.15 0.09 -0.08 -0.36 0.00 0.00 175.35 175.15 1k9r s THR 22 N -3.06 0.71 -0.91 3.43 -1.32 -0.96 -4.70 115.64 108.83 1k9r s THR 22 Ca 0.21 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.44 1k9r s THR 22 Cb 0.00 -2.17 -0.04 0.00 -1.51 0.00 0.00 72.50 68.78 1k9r s THR 22 CO 0.05 0.00 1.93 -0.44 -2.21 0.00 0.00 174.62 173.95 1k9r s SER 23 N -3.74 5.19 0.00 8.08 0.01 -1.26 -3.38 113.70 118.60 1k9r s SER 23 Ca 0.13 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1k9r s SER 23 Cb 0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1k9r s SER 23 CO 0.09 -2.70 0.00 -0.24 0.41 0.00 0.00 173.24 170.80 1k9r n SER 24 N 13.79 0.00 0.00 2.44 2.88 -1.26 -4.98 113.62 126.49 1k9r n SER 24 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1k9r n SER 24 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 1.82 3.06 0.46 0.00 -1.22 -5.12 105.19 104.20 1k9r n GLY 25 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.31 0.54 -0.25 1.61 -0.21 -1.26 -5.05 119.66 114.73 1k9r s GLN 26 Ca 0.00 -0.96 -0.27 0.00 0.02 0.00 0.00 55.36 54.16 1k9r s GLN 26 Cb 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 33.01 34.01 1k9r s GLN 26 CO 0.00 -0.04 0.93 1.03 -2.12 0.00 0.00 175.29 175.09 1k9r s ARG 27 N -2.66 4.18 0.52 2.91 3.00 -1.26 -2.26 118.95 123.39 1k9r s ARG 27 Ca -0.03 1.09 0.08 0.00 0.00 0.00 0.00 55.73 56.87 1k9r s ARG 27 Cb -0.02 -3.66 0.04 0.00 0.00 0.00 0.00 34.95 31.31 1k9r s ARG 27 CO -0.04 -0.61 0.55 1.52 0.00 0.00 0.00 175.30 176.71 1k9r s TYR 28 N 3.07 1.88 -0.29 -0.53 1.13 0.36 -4.73 117.35 118.24 1k9r s TYR 28 Ca 0.39 -0.69 0.02 0.00 -1.41 0.00 0.00 57.07 55.38 1k9r s TYR 28 Cb -0.15 -2.11 0.08 0.00 -1.10 0.00 0.00 41.96 38.69 1k9r s TYR 28 CO 0.08 -0.63 0.01 -0.06 -2.51 0.00 0.00 175.55 172.44 1k9r s PHE 29 N -2.64 2.90 -0.40 -3.49 0.40 0.40 0.39 117.98 115.55 1k9r s PHE 29 Ca 0.48 -2.30 -0.29 0.00 -0.60 0.00 0.00 56.93 54.22 1k9r s PHE 29 Cb -0.04 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1k9r s PHE 29 CO 0.30 -0.87 1.36 -1.17 0.70 0.00 0.00 175.22 175.53 1k9r s LEU 30 N 1.21 3.63 -0.45 -0.37 2.96 -0.44 -1.81 118.68 123.40 1k9r s LEU 30 Ca 0.03 0.84 -0.23 0.00 -0.22 0.00 0.00 54.13 54.55 1k9r s LEU 30 Cb -0.19 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 42.99 1k9r s LEU 30 CO -0.10 -1.36 0.77 0.21 -1.32 0.00 0.00 176.35 174.55 1k9r s ASN 31 N 3.59 6.40 0.00 3.68 3.84 0.29 -0.96 114.94 131.78 1k9r s ASN 31 Ca 0.59 -0.14 0.29 0.00 0.21 0.00 0.00 52.86 53.81 1k9r s ASN 31 Cb -0.13 -2.38 1.31 0.00 -0.55 0.00 0.00 41.25 39.50 1k9r s ASN 31 CO 0.31 -0.91 1.91 1.41 -2.79 0.00 0.00 177.10 177.03 1k9r n HIS 32 N 6.69 0.00 -0.05 0.43 8.25 0.24 -1.17 115.22 129.60 1k9r n HIS 32 Ca 0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1k9r n HIS 32 Cb 0.48 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 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 0.47 0.00 -0.27 1.59 2.04 -1.90 -3.37 117.51 116.07 1k9r h ILE 33 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1k9r h ILE 33 Cb 0.33 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1k9r h ILE 33 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.48 1k9r n ASP 34 N -3.86 1.65 -3.26 1.72 2.03 -1.26 -4.96 116.55 108.61 1k9r n ASP 34 Ca -0.04 -1.90 -0.19 0.00 0.52 0.00 0.00 54.79 53.18 1k9r n ASP 34 Cb 0.15 -0.18 0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1k9r n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k9r n GLN 35 N 0.37 -1.89 -3.86 -0.67 6.02 -0.32 -5.01 117.38 112.02 1k9r n GLN 35 Ca 0.12 1.55 -0.07 0.00 -0.01 0.00 0.00 57.00 58.58 1k9r n GLN 35 Cb 0.28 -3.99 -0.01 0.00 1.02 0.00 0.00 30.24 27.54 1k9r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1k9r s THR 36 N -2.41 0.00 -0.09 5.09 -4.23 -0.58 -4.96 115.64 108.45 1k9r s THR 36 Ca 0.20 -1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1k9r s THR 36 Cb -0.03 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.66 1k9r s THR 36 CO 0.82 0.00 -0.04 0.42 -0.54 0.00 0.00 174.62 175.28 1k9r s THR 37 N -3.63 0.74 0.14 3.99 -4.23 -1.26 0.11 115.64 111.50 1k9r s THR 37 Ca 0.12 -0.11 0.11 0.00 -1.18 0.00 0.00 61.69 60.63 1k9r s THR 37 Cb -0.06 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1k9r s THR 37 CO 0.08 0.32 -0.25 0.28 -0.54 0.00 0.00 174.62 174.51 1k9r s THR 38 N 1.82 2.37 -0.11 3.99 -1.32 -0.75 -4.85 115.64 116.78 1k9r s THR 38 Ca 0.05 -1.78 -0.15 0.00 -1.21 0.00 0.00 61.69 58.60 1k9r s THR 38 Cb -0.12 -2.07 -0.26 0.00 -1.51 0.00 0.00 72.50 68.53 1k9r s THR 38 CO -0.07 0.04 0.50 -0.50 -2.21 0.00 0.00 174.62 172.39 1k9r h TRP 39 N 3.70 0.41 -0.56 9.09 4.06 -1.89 1.17 115.95 131.93 1k9r h TRP 39 Ca -0.50 -0.30 0.00 0.00 2.06 0.00 0.00 58.89 60.15 1k9r h TRP 39 Cb 1.18 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1k9r h TRP 39 CO 0.62 1.58 0.00 1.04 -3.56 0.00 0.00 178.44 178.12 1k9r n GLN 40 N -3.91 1.87 -4.46 0.49 6.02 -1.26 -4.61 117.38 111.52 1k9r n GLN 40 Ca -0.26 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.52 1k9r n GLN 40 Cb 0.90 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 32.02 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 -1.01 1.66 1.05 1.08 -4.77 -1.26 -4.73 116.67 108.68 1k9r s ASP 41 Ca 0.00 -0.38 -0.05 0.00 -3.30 0.00 0.00 52.55 48.82 1k9r s ASP 41 Cb 0.00 -0.13 0.07 0.00 -1.09 0.00 0.00 42.92 41.77 1k9r s ASP 41 CO 0.00 0.09 0.31 -0.81 0.70 0.00 0.00 175.17 175.45 1k9r n PRO 42 N 2.21 -1.21 -3.09 2.11 -0.04 -1.26 -4.66 135.00 129.06 1k9r n PRO 42 Ca -0.17 -0.48 -0.18 0.00 -0.04 0.00 0.00 63.50 62.63 1k9r n PRO 42 Cb 0.55 -0.41 0.02 0.00 -0.04 0.00 0.00 33.50 33.62 1k9r n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1k9r n ARG 43 N -2.19 -2.18 -0.33 0.54 1.74 -1.26 -4.93 116.66 108.04 1k9r n ARG 43 Ca 0.04 1.85 0.00 0.00 -0.77 0.00 0.00 57.85 58.97 1k9r n ARG 43 Cb 0.15 -4.44 0.00 0.00 -1.02 0.00 0.00 32.46 27.15 1k9r n ARG 43 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28