#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 -1.21 -4.27 -4.13 2.13 -1.26 -4.77 120.64 107.13 1k9r n GLU 6 Ca 0.00 0.80 -0.33 0.00 0.66 0.00 0.00 57.16 58.29 1k9r n GLU 6 Cb 0.00 -1.47 -0.09 0.00 0.27 0.00 0.00 31.44 30.15 1k9r n GLU 6 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1k9r s ILE 7 N -1.12 4.19 1.10 6.31 -1.09 -1.26 -5.11 121.20 124.22 1k9r s ILE 7 Ca 0.00 -0.60 -0.17 0.00 -2.23 0.00 0.00 60.65 57.66 1k9r s ILE 7 Cb 0.00 -2.87 0.24 0.00 -1.58 0.00 0.00 42.46 38.25 1k9r s ILE 7 CO 0.00 0.37 1.14 -2.16 -1.23 0.00 0.00 174.94 173.06 1k9r s PRO 8 N -1.58 -0.44 -0.45 2.79 0.04 -1.26 -5.03 135.00 129.07 1k9r s PRO 8 Ca 0.20 0.01 0.09 0.00 0.04 0.00 0.00 61.00 61.34 1k9r s PRO 8 Cb -0.12 -1.68 0.31 0.00 0.04 0.00 0.00 34.50 33.06 1k9r s PRO 8 CO 0.11 -3.21 0.73 -3.47 0.04 0.00 0.00 177.00 171.20 1k9r n ASP 9 N -4.42 1.85 0.00 6.66 -0.08 -1.26 -4.96 116.55 114.34 1k9r n ASP 9 Ca 0.11 -3.14 0.00 0.00 -1.51 0.00 0.00 54.79 50.25 1k9r n ASP 9 Cb 0.59 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.43 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 0.48 0.00 -3.86 1.67 9.92 -1.26 -5.13 116.55 118.37 1k9r n ASP 10 Ca 0.26 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.40 1k9r n ASP 10 Cb 0.54 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.89 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 0.00 0.01 -0.06 2.53 0.11 -1.26 -5.06 120.40 116.68 1k9r s VAL 11 Ca 0.00 -0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.70 1k9r s VAL 11 Cb 0.00 -0.15 -0.19 0.00 -1.53 0.00 0.00 36.38 34.51 1k9r s VAL 11 CO 0.00 -0.06 0.97 1.55 -3.33 0.00 0.00 175.10 174.22 1k9r h PRO 12 N 5.80 -0.10 -6.34 1.54 0.13 -1.91 -3.46 132.00 127.65 1k9r h PRO 12 Ca -0.26 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.28 1k9r h PRO 12 Cb 1.20 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 32.13 1k9r h PRO 12 CO 0.45 0.44 -0.84 -0.51 -0.23 0.00 0.00 178.00 177.31 1k9r s LEU 13 N -8.92 2.27 0.00 1.56 1.02 -1.26 -4.04 118.68 109.30 1k9r s LEU 13 Ca -0.15 -0.66 0.00 0.00 0.02 0.00 0.00 54.13 53.34 1k9r s LEU 13 Cb 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 46.19 45.21 1k9r s LEU 13 CO 0.57 0.12 0.00 -0.81 0.02 0.00 0.00 176.35 176.25 1k9r n PRO 14 N 1.24 0.44 -1.47 1.29 -0.04 -1.26 -4.94 135.00 130.26 1k9r n PRO 14 Ca -0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1k9r n PRO 14 Cb 0.53 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.11 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 -3.20 1.91 -0.68 0.55 0.00 -1.26 -3.56 121.76 115.52 1k9r s ALA 15 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1k9r s ALA 15 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1k9r s ALA 15 CO 0.00 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.10 1k9r n GLY 16 N -1.92 0.78 3.42 0.00 0.00 -1.26 -4.74 105.19 101.47 1k9r n GLY 16 Ca 0.07 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.94 2.55 -0.32 1.61 0.52 -1.23 0.97 118.94 121.10 1k9r s TRP 17 Ca 0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 56.10 55.84 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 0.15 0.14 -1.21 0.02 0.00 0.00 176.95 176.05 1k9r s GLU 18 N -0.92 0.52 -0.00 4.98 8.01 -0.34 -4.94 118.70 126.00 1k9r s GLU 18 Ca 0.12 -0.97 -0.30 0.00 0.01 0.00 0.00 54.97 53.83 1k9r s GLU 18 Cb -0.10 -1.55 -0.08 0.00 -4.31 0.00 0.00 34.13 28.08 1k9r s GLU 18 CO 0.02 -1.05 1.91 0.00 0.01 0.00 0.00 175.26 176.14 1k9r s MET 19 N 1.61 4.09 0.00 1.61 0.23 -1.26 -1.01 119.30 124.58 1k9r s MET 19 Ca 0.12 2.47 0.00 0.00 -1.03 0.00 0.00 55.69 57.25 1k9r s MET 19 Cb -0.18 -4.13 0.00 0.00 -1.53 0.00 0.00 34.83 28.98 1k9r s MET 19 CO -0.23 -1.00 0.00 0.00 -2.03 0.00 0.00 175.02 171.76 1k9r n ALA 20 N 7.68 0.00 -2.69 3.16 0.00 0.84 -4.90 120.51 124.61 1k9r n ALA 20 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 1k9r n ALA 20 Cb 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.22 1.82 0.00 0.00 -2.85 -1.26 0.69 119.74 117.93 1k9r s LYS 21 Ca 0.00 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1k9r s LYS 21 Cb 0.00 -1.64 0.00 0.00 -2.06 0.00 0.00 37.83 34.13 1k9r s LYS 21 CO 0.00 0.34 0.00 -2.37 0.10 0.00 0.00 175.35 173.42 1k9r n THR 22 N 2.89 0.00 0.00 3.79 5.66 -0.70 -4.85 114.28 121.07 1k9r n THR 22 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 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 0.00 0.00 0.00 1.09 2.88 -1.26 -3.57 113.62 112.76 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 2.28 0.00 -2.73 -3.46 7.64 -1.26 -4.98 113.62 111.11 1k9r n SER 24 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1k9r n SER 24 Cb 0.00 0.06 0.10 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.05 1.86 3.08 0.23 0.00 -1.23 -5.11 105.19 103.97 1k9r n GLY 25 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.30 1.33 -0.19 1.61 1.11 -1.24 -5.04 119.66 115.94 1k9r s GLN 26 Ca 0.17 -0.48 -0.27 0.00 0.01 0.00 0.00 55.36 54.79 1k9r s GLN 26 Cb 0.40 -1.21 -0.01 0.00 -1.01 0.00 0.00 33.01 31.19 1k9r s GLN 26 CO -0.09 0.22 0.92 1.03 0.01 0.00 0.00 175.29 177.38 1k9r s ARG 27 N -0.02 4.29 0.53 2.91 3.00 -1.26 -1.72 118.95 126.68 1k9r s ARG 27 Ca -0.01 1.16 0.05 0.00 0.00 0.00 0.00 55.73 56.93 1k9r s ARG 27 Cb -0.09 -3.60 0.05 0.00 0.00 0.00 0.00 34.95 31.32 1k9r s ARG 27 CO 0.01 -0.44 0.45 2.48 0.00 0.00 0.00 175.30 177.79 1k9r n TYR 28 N 5.63 -0.86 -3.84 -0.53 4.11 0.22 -4.74 117.16 117.13 1k9r n TYR 28 Ca 0.07 -2.20 -0.30 0.00 -0.00 0.00 0.00 57.90 55.47 1k9r n TYR 28 Cb 0.48 -0.44 -0.15 0.00 -0.00 0.00 0.00 39.34 39.22 1k9r n TYR 28 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1k9r s PHE 29 N -2.59 2.51 -0.49 -3.48 0.40 0.34 -0.11 117.98 114.57 1k9r s PHE 29 Ca 0.34 -2.26 -0.27 0.00 -0.60 0.00 0.00 56.93 54.15 1k9r s PHE 29 Cb -0.03 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1k9r s PHE 29 CO 0.22 -0.90 2.10 -1.17 0.70 0.00 0.00 175.22 176.16 1k9r s LEU 30 N 1.29 3.38 -0.58 -0.37 2.96 -0.18 -1.85 118.68 123.33 1k9r s LEU 30 Ca 0.11 0.92 -0.28 0.00 -0.22 0.00 0.00 54.13 54.66 1k9r s LEU 30 Cb -0.18 -2.76 0.02 0.00 0.50 0.00 0.00 46.19 43.76 1k9r s LEU 30 CO -0.18 -2.44 1.37 0.21 -1.32 0.00 0.00 176.35 174.00 1k9r s ASN 31 N 9.42 6.18 0.17 3.68 3.84 0.42 -1.19 114.94 137.45 1k9r s ASN 31 Ca 0.84 0.20 0.14 0.00 0.21 0.00 0.00 52.86 54.25 1k9r s ASN 31 Cb -0.18 -2.55 -0.06 0.00 -0.55 0.00 0.00 41.25 37.92 1k9r s ASN 31 CO 0.26 -1.69 1.18 -0.74 -2.79 0.00 0.00 177.10 173.33 1k9r h HIS 32 N 10.75 0.00 -0.87 0.43 2.76 0.34 0.16 115.15 128.73 1k9r h HIS 32 Ca -0.27 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.02 1k9r h HIS 32 Cb 1.08 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.96 1k9r h HIS 32 CO 1.04 0.63 0.49 -0.84 -1.30 0.00 0.00 177.93 177.96 1k9r h ILE 33 N 0.00 0.86 0.00 6.26 3.07 -1.77 -3.07 117.51 122.86 1k9r h ILE 33 Ca -0.07 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1k9r h ILE 33 Cb 1.54 0.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.10 1k9r h ILE 33 CO 0.07 0.14 -0.18 -0.67 -1.05 0.00 0.00 178.15 176.46 1k9r n ASP 34 N -4.76 1.30 -2.88 2.16 2.03 -1.25 -5.06 116.55 108.09 1k9r n ASP 34 Ca 0.16 -2.43 -0.03 0.00 0.52 0.00 0.00 54.79 53.01 1k9r n ASP 34 Cb 0.34 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 -0.72 -2.58 -3.83 -0.67 1.13 0.11 -5.04 117.38 105.77 1k9r n GLN 35 Ca 0.07 2.20 -0.03 0.00 -1.94 0.00 0.00 57.00 57.31 1k9r n GLN 35 Cb 0.61 -4.28 0.01 0.00 0.11 0.00 0.00 30.24 26.69 1k9r n GLN 35 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1k9r s THR 36 N -1.60 0.00 -0.07 5.09 -4.23 0.34 -4.96 115.64 110.20 1k9r s THR 36 Ca 0.05 -0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 59.98 1k9r s THR 36 Cb -0.01 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.29 1k9r s THR 36 CO 0.61 0.00 0.05 0.42 -0.54 0.00 0.00 174.62 175.17 1k9r s THR 37 N -2.48 -0.00 -0.00 3.99 -4.23 -1.26 0.16 115.64 111.81 1k9r s THR 37 Ca 0.19 0.25 0.08 0.00 -1.18 0.00 0.00 61.69 61.03 1k9r s THR 37 Cb -0.02 -0.31 -0.02 0.00 1.34 0.00 0.00 72.50 73.49 1k9r s THR 37 CO 0.03 0.10 -0.25 0.28 -0.54 0.00 0.00 174.62 174.25 1k9r s THR 38 N 2.12 1.97 0.24 3.99 -1.32 -0.77 -4.84 115.64 117.02 1k9r s THR 38 Ca 0.04 -1.12 -0.01 0.00 -1.21 0.00 0.00 61.69 59.39 1k9r s THR 38 Cb -0.13 -1.64 0.02 0.00 -1.51 0.00 0.00 72.50 69.24 1k9r s THR 38 CO -0.05 0.50 1.63 -0.50 -2.21 0.00 0.00 174.62 174.00 1k9r h TRP 39 N 5.36 0.67 -1.37 9.09 4.06 -1.88 0.99 115.95 132.87 1k9r h TRP 39 Ca -0.43 -0.17 -0.44 0.00 2.06 0.00 0.00 58.89 59.91 1k9r h TRP 39 Cb 1.13 -0.15 0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1k9r h TRP 39 CO 0.41 0.84 -0.26 -0.65 -3.56 0.00 0.00 178.44 175.22 1k9r s GLN 40 N -4.37 2.73 0.14 0.49 -0.21 -1.26 -4.50 119.66 112.69 1k9r s GLN 40 Ca -0.08 -1.33 0.02 0.00 0.02 0.00 0.00 55.36 54.00 1k9r s GLN 40 Cb 0.13 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 1k9r s GLN 40 CO 0.82 -0.32 0.29 0.16 -2.12 0.00 0.00 175.29 174.11 1k9r s ASP 41 N -4.35 6.35 0.47 5.90 1.47 -1.26 -4.74 116.67 120.50 1k9r s ASP 41 Ca 0.55 0.22 0.26 0.00 1.18 0.00 0.00 52.55 54.76 1k9r s ASP 41 Cb -0.09 -1.93 0.94 0.00 -0.34 0.00 0.00 42.92 41.50 1k9r s ASP 41 CO 0.33 0.05 1.83 1.55 0.68 0.00 0.00 175.17 179.61 1k9r h PRO 42 N 2.24 0.00 -4.56 2.11 0.13 -1.99 -3.42 132.00 126.52 1k9r h PRO 42 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1k9r h PRO 42 Cb 1.19 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 1k9r h PRO 42 CO 0.69 0.14 -0.82 1.03 -0.23 0.00 0.00 178.00 178.81 1k9r s ARG 43 N -3.56 1.98 0.00 0.86 0.52 -1.26 -5.13 118.95 112.36 1k9r s ARG 43 Ca 0.02 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 1k9r s ARG 43 Cb 0.09 -1.78 0.02 0.00 0.52 0.00 0.00 34.95 33.80 1k9r s ARG 43 CO 0.62 -0.14 0.58 1.17 0.02 0.00 0.00 175.30 177.55