#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 0.11 0.05 -1.08 2.02 -1.26 -5.14 118.70 113.40 1k9r s GLU 6 Ca 0.00 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 54.85 1k9r s GLU 6 Cb 0.00 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.43 1k9r s GLU 6 CO 0.00 -0.71 -0.06 0.96 0.02 0.00 0.00 175.26 175.47 1k9r s ILE 7 N 2.12 0.44 -0.18 -1.63 -4.36 -1.26 -5.03 121.20 111.29 1k9r s ILE 7 Ca 0.03 -1.26 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1k9r s ILE 7 Cb -0.16 -0.80 0.20 0.00 1.25 0.00 0.00 42.46 42.94 1k9r s ILE 7 CO -0.12 -0.55 1.60 -0.81 0.24 0.00 0.00 174.94 175.29 1k9r n PRO 8 N 1.10 1.48 -3.97 0.37 -0.04 -1.26 -4.86 135.00 127.83 1k9r n PRO 8 Ca -0.20 -1.06 -0.30 0.00 -0.04 0.00 0.00 63.50 61.90 1k9r n PRO 8 Cb 0.56 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.24 -1.65 -2.68 3.54 2.03 -1.26 -4.87 116.55 111.90 1k9r n ASP 9 Ca 0.21 -1.09 -0.05 0.00 0.52 0.00 0.00 54.79 54.38 1k9r n ASP 9 Cb 0.76 -2.70 0.11 0.00 -0.72 0.00 0.00 41.12 38.56 1k9r n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1k9r n ASP 10 N -2.79 -1.50 -4.68 1.67 2.03 -1.26 -5.13 116.55 104.88 1k9r n ASP 10 Ca -0.24 -2.27 -0.40 0.00 0.52 0.00 0.00 54.79 52.40 1k9r n ASP 10 Cb 0.65 1.30 -0.06 0.00 -0.72 0.00 0.00 41.12 42.30 1k9r n ASP 10 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1k9r s VAL 11 N 0.11 5.04 -1.97 5.18 1.01 -1.26 -4.93 120.40 123.58 1k9r s VAL 11 Ca 0.21 1.22 0.25 0.00 0.00 0.00 0.00 61.98 63.66 1k9r s VAL 11 Cb 0.29 -3.95 0.70 0.00 0.00 0.00 0.00 36.38 33.42 1k9r s VAL 11 CO -0.16 0.16 1.86 -0.81 0.00 0.00 0.00 175.10 176.15 1k9r n PRO 12 N 4.64 0.77 -1.35 2.72 -0.04 -1.26 -5.01 135.00 135.47 1k9r n PRO 12 Ca -0.02 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.60 1k9r n PRO 12 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1k9r n PRO 12 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k9r n LEU 13 N -1.01 -0.85 -4.78 1.53 4.32 -1.26 -4.88 117.00 110.07 1k9r n LEU 13 Ca 0.19 1.97 -0.30 0.00 -0.02 0.00 0.00 56.01 57.85 1k9r n LEU 13 Cb 0.09 -3.70 0.20 0.00 -1.62 0.00 0.00 43.42 38.40 1k9r n LEU 13 CO 0.14 -2.32 0.76 -2.16 -1.22 0.00 0.00 177.39 172.59 1k9r s PRO 14 N -3.81 -0.05 0.85 3.23 0.04 -1.26 -4.98 135.00 129.02 1k9r s PRO 14 Ca 0.00 -0.21 -0.11 0.00 0.04 0.00 0.00 61.00 60.73 1k9r s PRO 14 Cb 0.00 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 32.89 1k9r s PRO 14 CO 0.00 -2.91 1.11 0.00 0.04 0.00 0.00 177.00 175.24 1k9r s ALA 15 N -3.48 1.83 -0.59 8.56 0.00 -1.26 -3.45 121.76 123.38 1k9r s ALA 15 Ca 0.72 0.32 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1k9r s ALA 15 Cb -0.07 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1k9r s ALA 15 CO 0.54 -2.23 0.00 0.41 0.00 0.00 0.00 175.76 174.48 1k9r n GLY 16 N -0.67 0.74 3.21 0.00 0.00 -1.26 -4.76 105.19 102.46 1k9r n GLY 16 Ca 0.10 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.22 1.67 -0.34 1.61 0.52 -1.22 0.11 118.94 119.07 1k9r s TRP 17 Ca 0.00 -0.35 -0.01 0.00 0.02 0.00 0.00 56.10 55.76 1k9r s TRP 17 Cb 0.00 -1.01 0.12 0.00 -1.15 0.00 0.00 33.47 31.43 1k9r s TRP 17 CO 0.00 0.05 0.18 -1.21 0.02 0.00 0.00 176.95 175.99 1k9r s GLU 18 N -0.98 0.59 0.02 4.98 8.01 -0.04 -4.92 118.70 126.37 1k9r s GLU 18 Ca 0.06 -1.17 -0.30 0.00 0.01 0.00 0.00 54.97 53.57 1k9r s GLU 18 Cb -0.08 -1.53 -0.08 0.00 -4.31 0.00 0.00 34.13 28.13 1k9r s GLU 18 CO 0.01 -1.12 1.91 0.00 0.01 0.00 0.00 175.26 176.07 1k9r s MET 19 N 1.33 4.15 0.00 1.61 0.23 -1.26 -0.72 119.30 124.64 1k9r s MET 19 Ca 0.14 2.54 0.00 0.00 -1.03 0.00 0.00 55.69 57.34 1k9r s MET 19 Cb -0.20 -4.11 0.00 0.00 -1.53 0.00 0.00 34.83 28.98 1k9r s MET 19 CO -0.14 -0.93 0.00 0.00 -2.03 0.00 0.00 175.02 171.92 1k9r n ALA 20 N 7.40 0.00 -2.68 3.16 0.00 0.10 -4.90 120.51 123.59 1k9r n ALA 20 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 1k9r n ALA 20 Cb 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.70 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 1.93 0.00 0.00 -2.85 -1.26 0.99 119.74 118.76 1k9r s LYS 21 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1k9r s LYS 21 Cb 0.00 -1.73 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 1k9r s LYS 21 CO 0.00 0.35 0.00 -2.37 0.10 0.00 0.00 175.35 173.43 1k9r n THR 22 N 2.88 0.00 0.00 3.79 5.66 -0.70 -4.85 114.28 121.06 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 -0.48 0.00 0.00 1.09 2.88 -1.26 -3.71 113.62 112.13 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 2.15 0.00 -3.03 -3.46 7.64 -1.26 -5.00 113.62 110.65 1k9r n SER 24 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1k9r n SER 24 Cb 0.00 0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.62 2.39 3.47 0.23 0.00 -1.24 -5.10 105.19 104.31 1k9r n GLY 25 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1k9r n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k9r s GLN 26 N -1.23 0.59 -0.18 1.61 0.74 -1.25 -5.05 119.66 114.87 1k9r s GLN 26 Ca 0.34 0.98 -0.27 0.00 0.05 0.00 0.00 55.36 56.46 1k9r s GLN 26 Cb 0.29 0.12 -0.00 0.00 1.10 0.00 0.00 33.01 34.51 1k9r s GLN 26 CO -0.09 -0.14 0.94 1.03 -0.55 0.00 0.00 175.29 176.48 1k9r s ARG 27 N 1.28 4.30 0.46 1.67 3.00 -1.26 -1.72 118.95 126.69 1k9r s ARG 27 Ca -0.08 1.21 0.05 0.00 0.00 0.00 0.00 55.73 56.91 1k9r s ARG 27 Cb -0.06 -3.59 0.05 0.00 0.00 0.00 0.00 34.95 31.34 1k9r s ARG 27 CO -0.13 -0.44 0.41 2.48 0.00 0.00 0.00 175.30 177.61 1k9r n TYR 28 N 5.61 -1.06 -3.75 -0.53 4.11 0.28 -4.80 117.16 117.01 1k9r n TYR 28 Ca 0.08 -1.91 -0.30 0.00 -0.00 0.00 0.00 57.90 55.78 1k9r n TYR 28 Cb 0.48 -0.39 -0.13 0.00 -0.00 0.00 0.00 39.34 39.29 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 -2.22 2.14 -0.62 -3.48 0.40 0.46 0.00 117.98 114.67 1k9r s PHE 29 Ca 0.31 -2.47 -0.27 0.00 -0.60 0.00 0.00 56.93 53.90 1k9r s PHE 29 Cb -0.02 -2.01 -0.11 0.00 0.51 0.00 0.00 43.02 41.39 1k9r s PHE 29 CO 0.20 -0.79 2.48 -0.11 0.70 0.00 0.00 175.22 177.70 1k9r n LEU 30 N 3.62 1.82 -4.57 -0.37 7.94 0.10 -1.37 117.00 124.17 1k9r n LEU 30 Ca 0.07 -0.38 -0.41 0.00 -1.11 0.00 0.00 56.01 54.17 1k9r n LEU 30 Cb 0.35 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.84 1k9r n LEU 30 CO 0.24 -1.42 1.28 0.21 -1.11 0.00 0.00 177.39 176.60 1k9r s ASN 31 N 11.43 6.07 0.08 1.96 3.84 0.40 -0.86 114.94 137.86 1k9r s ASN 31 Ca 1.07 0.29 0.08 0.00 0.21 0.00 0.00 52.86 54.51 1k9r s ASN 31 Cb -0.42 -2.54 -0.22 0.00 -0.55 0.00 0.00 41.25 37.52 1k9r s ASN 31 CO 0.31 -1.75 1.14 -0.74 -2.79 0.00 0.00 177.10 173.26 1k9r h HIS 32 N 11.31 0.00 -0.93 0.43 2.76 0.50 0.48 115.15 129.71 1k9r h HIS 32 Ca -0.27 -0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.07 1k9r h HIS 32 Cb 1.10 -0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.95 1k9r h HIS 32 CO 1.04 1.00 0.52 -0.84 -1.30 0.00 0.00 177.93 178.35 1k9r h ILE 33 N 0.00 0.70 0.00 6.26 3.07 -1.64 -2.73 117.51 123.17 1k9r h ILE 33 Ca -0.07 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.10 1k9r h ILE 33 Cb 1.83 -0.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1k9r h ILE 33 CO 0.12 0.12 -0.09 0.47 -1.05 0.00 0.00 178.15 177.72 1k9r n ASP 34 N -4.83 1.60 -3.10 2.16 8.00 -1.25 -5.04 116.55 114.08 1k9r n ASP 34 Ca 0.21 -2.39 -0.14 0.00 0.71 0.00 0.00 54.79 53.17 1k9r n ASP 34 Cb 0.52 -0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.79 -2.01 -2.21 -1.24 1.13 0.18 -5.03 117.38 107.42 1k9r n GLN 35 Ca 0.07 1.74 -0.04 0.00 -1.94 0.00 0.00 57.00 56.84 1k9r n GLN 35 Cb 0.53 -4.69 0.01 0.00 0.11 0.00 0.00 30.24 26.20 1k9r n GLN 35 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1k9r n THR 36 N -0.78 0.00 -3.59 5.09 -1.04 0.15 -4.96 114.28 109.15 1k9r n THR 36 Ca 0.02 -0.45 -0.29 0.00 -2.04 0.00 0.00 64.05 61.29 1k9r n THR 36 Cb 0.53 0.43 -0.15 0.00 -1.82 0.00 0.00 70.33 69.32 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 -2.62 0.14 -0.09 12.58 -4.23 -1.26 0.15 115.64 120.31 1k9r s THR 37 Ca 0.07 -0.86 -0.20 0.00 -1.18 0.00 0.00 61.69 59.53 1k9r s THR 37 Cb -0.02 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 1k9r s THR 37 CO 0.05 -0.68 0.55 -0.89 -0.54 0.00 0.00 174.62 173.11 1k9r s THR 38 N 2.00 5.13 -0.04 3.99 2.01 -0.47 -4.74 115.64 123.52 1k9r s THR 38 Ca 0.09 1.12 -0.25 0.00 0.31 0.00 0.00 61.69 62.96 1k9r s THR 38 Cb -0.16 -3.89 -0.22 0.00 0.01 0.00 0.00 72.50 68.24 1k9r s THR 38 CO -0.32 0.31 1.09 -0.50 -0.69 0.00 0.00 174.62 174.50 1k9r h TRP 39 N 6.65 0.21 -1.24 4.92 4.06 -1.87 1.35 115.95 130.03 1k9r h TRP 39 Ca -0.41 -0.10 0.17 0.00 2.06 0.00 0.00 58.89 60.60 1k9r h TRP 39 Cb 1.19 -0.03 -0.31 0.00 -1.00 0.00 0.00 29.16 29.01 1k9r h TRP 39 CO 0.63 0.84 0.64 -1.14 -3.56 0.00 0.00 178.44 175.85 1k9r s GLN 40 N -3.39 0.18 0.05 0.49 0.74 -1.26 -4.44 119.66 112.03 1k9r s GLN 40 Ca -0.16 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.54 1k9r s GLN 40 Cb 0.01 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.17 1k9r s GLN 40 CO 0.73 -0.03 0.00 -0.25 -0.55 0.00 0.00 175.29 175.18 1k9r n ASP 41 N 3.03 -0.47 -4.56 6.67 8.00 -1.26 -5.07 116.55 122.90 1k9r n ASP 41 Ca -0.16 0.54 -0.40 0.00 0.71 0.00 0.00 54.79 55.47 1k9r n ASP 41 Cb 0.57 0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 42.51 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 2.93 -0.17 -0.24 0.04 -1.26 -4.34 135.00 129.96 1k9r s PRO 42 Ca 0.00 0.51 -0.04 0.00 0.04 0.00 0.00 61.00 61.51 1k9r s PRO 42 Cb 0.00 -4.28 0.01 0.00 0.04 0.00 0.00 34.50 30.28 1k9r s PRO 42 CO 0.00 -2.39 0.08 0.54 0.04 0.00 0.00 177.00 175.27 1k9r n ARG 43 N 9.04 -2.97 0.00 4.56 1.74 -1.26 -4.96 116.66 122.81 1k9r n ARG 43 Ca 0.16 2.43 0.00 0.00 -0.77 0.00 0.00 57.85 59.67 1k9r n ARG 43 Cb 0.50 -3.88 0.00 0.00 -1.02 0.00 0.00 32.46 28.06 1k9r n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74