#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dtk s ALA 2 N 0.00 2.99 -0.06 0.00 0.00 -1.25 -5.00 121.76 118.44 1dtk s ALA 2 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.52 1dtk s ALA 2 Cb 0.00 -3.02 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 1dtk s ALA 2 CO 0.00 -0.96 0.65 -0.22 0.00 0.00 0.00 175.76 175.23 1dtk h LYS 3 N -0.51 -0.25 0.00 0.00 3.11 -2.02 -3.23 116.57 113.68 1dtk h LYS 3 Ca -0.45 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1dtk h LYS 3 Cb 1.23 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 1dtk h LYS 3 CO 0.63 0.08 0.14 0.10 -2.81 0.00 0.00 179.45 177.59 1dtk h TYR 4 N -0.97 0.00 -0.67 1.91 -0.00 -1.95 -1.18 116.97 114.11 1dtk h TYR 4 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 58.73 58.90 1dtk h TYR 4 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.14 1dtk h TYR 4 CO 0.06 0.00 0.56 0.00 -0.00 0.00 0.00 178.16 178.78 1dtk h LYS 6 N 0.00 0.00 -6.80 0.00 6.56 -1.40 -3.35 116.57 111.58 1dtk h LYS 6 Ca 0.32 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.39 1dtk h LYS 6 Cb 1.44 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 33.15 1dtk h LYS 6 CO -0.00 0.11 0.67 -0.51 -2.06 0.00 0.00 179.45 177.66 1dtk s LEU 7 N -7.47 4.42 0.00 2.94 1.43 0.33 -4.58 118.68 115.74 1dtk s LEU 7 Ca -0.03 2.60 -0.03 0.00 -1.03 0.00 0.00 54.13 55.64 1dtk s LEU 7 Cb 0.14 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.76 1dtk s LEU 7 CO 0.59 -0.56 0.21 -0.81 0.23 0.00 0.00 176.35 176.01 1dtk n PRO 8 N 1.64 -0.47 -2.01 1.29 -0.04 -1.26 -4.59 135.00 129.55 1dtk n PRO 8 Ca 0.03 -0.33 -0.26 0.00 -0.04 0.00 0.00 63.50 62.90 1dtk n PRO 8 Cb 0.42 -0.24 -0.06 0.00 -0.04 0.00 0.00 33.50 33.58 1dtk n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dtk s LEU 9 N 0.00 3.03 -1.00 1.53 2.96 -1.26 -4.86 118.68 119.09 1dtk s LEU 9 Ca 0.12 -1.23 -0.12 0.00 -0.22 0.00 0.00 54.13 52.68 1dtk s LEU 9 Cb -0.01 -2.58 0.24 0.00 0.50 0.00 0.00 46.19 44.35 1dtk s LEU 9 CO 0.09 -3.12 0.99 -0.60 -1.32 0.00 0.00 176.35 172.39 1dtk s ARG 10 N 6.87 3.93 0.10 1.98 6.06 -1.26 -4.84 118.95 131.80 1dtk s ARG 10 Ca 0.71 -2.83 -0.13 0.00 -2.50 0.00 0.00 55.73 50.98 1dtk s ARG 10 Cb -0.03 -4.54 -0.17 0.00 0.06 0.00 0.00 34.95 30.26 1dtk s ARG 10 CO 0.09 -1.31 1.28 0.82 -2.50 0.00 0.00 175.30 173.68 1dtk h ILE 11 N 4.25 1.28 0.00 4.11 1.08 -1.89 -3.42 117.51 122.92 1dtk h ILE 11 Ca 0.16 -2.03 0.00 0.00 -0.39 0.00 0.00 64.86 62.59 1dtk h ILE 11 Cb 0.95 2.07 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 1dtk h ILE 11 CO 0.92 0.64 0.00 0.61 -0.69 0.00 0.00 178.15 179.63 1dtk n GLY 12 N 0.79 2.09 0.00 5.37 0.00 -1.24 -2.74 105.19 109.47 1dtk n GLY 12 Ca -0.08 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.14 1dtk n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dtk n PRO 13 N 1.91 0.94 -2.78 1.61 -0.04 -1.26 -4.88 135.00 130.49 1dtk n PRO 13 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1dtk n PRO 13 Cb 0.00 -1.41 0.01 0.00 -0.04 0.00 0.00 33.50 32.06 1dtk n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dtk n LYS 15 N -2.23 3.27 -3.00 0.00 2.85 -1.26 -4.65 118.16 113.14 1dtk n LYS 15 Ca 0.01 -3.90 -0.20 0.00 -1.05 0.00 0.00 58.31 53.18 1dtk n LYS 15 Cb 0.57 -2.24 0.07 0.00 -0.65 0.00 0.00 35.03 32.77 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1dtk s ARG 16 N -3.63 2.25 -0.39 -1.58 1.81 -1.26 -5.10 118.95 111.05 1dtk s ARG 16 Ca 0.54 -1.61 0.05 0.00 -1.72 0.00 0.00 55.73 52.98 1dtk s ARG 16 Cb 0.43 -2.62 0.16 0.00 -0.45 0.00 0.00 34.95 32.47 1dtk s ARG 16 CO 0.02 -0.91 0.46 -1.59 -0.68 0.00 0.00 175.30 172.60 1dtk s LYS 17 N -4.71 0.72 -0.27 3.54 -2.85 -1.22 -4.51 119.74 110.45 1dtk s LYS 17 Ca 0.62 -0.78 0.02 0.00 -1.00 0.00 0.00 55.97 54.84 1dtk s LYS 17 Cb -0.06 -0.51 0.07 0.00 -2.06 0.00 0.00 37.83 35.28 1dtk s LYS 17 CO 0.39 -1.21 -0.05 0.42 0.10 0.00 0.00 175.35 175.00 1dtk s ILE 18 N 1.44 1.89 0.07 3.79 1.01 0.57 -4.91 121.20 125.06 1dtk s ILE 18 Ca 0.18 -1.60 -0.32 0.00 0.00 0.00 0.00 60.65 58.92 1dtk s ILE 18 Cb -0.11 -2.14 -0.11 0.00 0.01 0.00 0.00 42.46 40.11 1dtk s ILE 18 CO -0.04 -0.19 1.86 -0.81 0.00 0.00 0.00 174.94 175.76 1dtk n PRO 19 N 4.51 2.68 -4.19 2.79 -0.04 -1.26 -0.08 135.00 139.41 1dtk n PRO 19 Ca -0.10 0.98 -0.14 0.00 -0.04 0.00 0.00 63.50 64.20 1dtk n PRO 19 Cb 0.43 -2.87 -0.09 0.00 -0.04 0.00 0.00 33.50 30.93 1dtk n PRO 19 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1dtk s SER 20 N 3.24 0.58 0.03 3.54 0.01 0.28 -4.86 113.70 116.51 1dtk s SER 20 Ca 0.85 -1.44 0.06 0.00 1.31 0.00 0.00 55.95 56.73 1dtk s SER 20 Cb -0.51 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1dtk s SER 20 CO 0.41 -0.97 -0.18 -0.36 0.41 0.00 0.00 173.24 172.55 1dtk s PHE 21 N -3.87 1.60 0.27 2.43 0.40 0.64 -0.45 117.98 119.01 1dtk s PHE 21 Ca 0.37 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1dtk s PHE 21 Cb 0.04 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 1dtk s PHE 21 CO 0.16 0.05 0.18 1.52 0.70 0.00 0.00 175.22 177.84 1dtk s TYR 22 N -0.73 1.48 -0.25 0.36 1.13 -0.54 -0.07 117.35 118.73 1dtk s TYR 22 Ca 0.06 -1.46 -0.08 0.00 -1.41 0.00 0.00 57.07 54.17 1dtk s TYR 22 Cb -0.08 -0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 40.04 1dtk s TYR 22 CO 0.01 -0.67 0.10 -0.47 -2.51 0.00 0.00 175.55 172.01 1dtk s TYR 23 N -3.77 3.14 -0.87 -3.49 6.14 -1.26 -0.54 117.35 116.69 1dtk s TYR 23 Ca 0.39 -0.23 -0.22 0.00 0.64 0.00 0.00 57.07 57.64 1dtk s TYR 23 Cb 0.05 -2.25 0.08 0.00 0.42 0.00 0.00 41.96 40.26 1dtk s TYR 23 CO 0.19 -0.25 1.20 0.21 0.64 0.00 0.00 175.55 177.54 1dtk s LYS 24 N 1.49 3.43 0.55 4.97 2.20 0.44 -4.76 119.74 128.06 1dtk s LYS 24 Ca 0.06 -1.19 0.23 0.00 -0.36 0.00 0.00 55.97 54.71 1dtk s LYS 24 Cb -0.15 -4.80 1.47 0.00 -1.51 0.00 0.00 37.83 32.85 1dtk s LYS 24 CO 0.05 -1.95 2.11 2.35 -0.36 0.00 0.00 175.35 177.55 1dtk h TRP 25 N 9.41 0.00 -0.55 4.03 2.91 -1.81 0.50 115.95 130.44 1dtk h TRP 25 Ca 0.01 0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.17 1dtk h TRP 25 Cb 1.03 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.66 1dtk h TRP 25 CO 1.15 0.00 0.39 -0.22 -1.03 0.00 0.00 178.44 178.72 1dtk h LYS 26 N 0.00 0.14 0.00 2.65 3.64 -1.89 -2.55 116.57 118.56 1dtk h LYS 26 Ca 0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1dtk h LYS 26 Cb 0.38 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1dtk h LYS 26 CO -0.00 0.09 -1.28 0.00 -2.27 0.00 0.00 179.45 175.99 1dtk n ALA 27 N -2.59 2.75 -3.38 5.00 0.00 0.37 -5.04 120.51 117.61 1dtk n ALA 27 Ca 0.10 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 1dtk n ALA 27 Cb 0.52 -0.42 0.06 0.00 0.00 0.00 0.00 19.45 19.62 1dtk n ALA 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dtk n LYS 28 N -1.75 -1.92 -3.47 0.00 5.02 0.15 -5.05 118.16 111.14 1dtk n LYS 28 Ca -0.01 0.76 -0.14 0.00 -2.02 0.00 0.00 58.31 56.90 1dtk n LYS 28 Cb 0.28 -5.31 -0.03 0.00 -0.02 0.00 0.00 35.03 29.95 1dtk n LYS 28 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1dtk s GLN 29 N -4.85 1.12 0.10 1.97 -2.07 -1.18 -5.00 119.66 109.75 1dtk s GLN 29 Ca 0.46 -0.18 -0.30 0.00 -1.82 0.00 0.00 55.36 53.52 1dtk s GLN 29 Cb -0.09 0.52 -0.06 0.00 -1.09 0.00 0.00 33.01 32.29 1dtk s GLN 29 CO 0.78 -0.44 0.97 0.00 -1.32 0.00 0.00 175.29 175.28 1dtk s LEU 31 N 0.10 2.13 0.74 0.00 1.43 0.30 -4.93 118.68 118.44 1dtk s LEU 31 Ca 0.48 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1dtk s LEU 31 Cb -0.23 0.01 0.04 0.00 0.03 0.00 0.00 46.19 46.03 1dtk s LEU 31 CO 0.30 -0.15 1.08 -2.16 0.23 0.00 0.00 176.35 175.65 1dtk s PRO 32 N -0.79 2.54 0.11 1.29 0.04 -1.26 -1.47 135.00 135.45 1dtk s PRO 32 Ca -0.08 0.96 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 1dtk s PRO 32 Cb -0.05 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.62 1dtk s PRO 32 CO -0.00 -1.38 1.03 1.97 0.04 0.00 0.00 177.00 178.66 1dtk n PHE 33 N -3.32 -1.01 -3.90 0.56 -1.74 0.41 -4.88 117.46 103.57 1dtk n PHE 33 Ca 0.08 -1.02 -0.35 0.00 -0.56 0.00 0.00 57.45 55.59 1dtk n PHE 33 Cb 0.54 0.49 -0.14 0.00 1.52 0.00 0.00 39.48 41.89 1dtk n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1dtk s ASP 34 N -3.39 4.84 0.62 5.98 1.11 -1.26 -0.56 116.67 124.01 1dtk s ASP 34 Ca 0.23 -1.17 -0.15 0.00 0.18 0.00 0.00 52.55 51.65 1dtk s ASP 34 Cb -0.02 -1.73 -0.02 0.00 1.07 0.00 0.00 42.92 42.22 1dtk s ASP 34 CO 0.03 -0.24 1.06 -0.47 1.18 0.00 0.00 175.17 176.74 1dtk s TYR 35 N 1.29 2.97 -0.04 4.23 5.04 0.89 -4.62 117.35 127.11 1dtk s TYR 35 Ca -0.04 1.50 -0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1dtk s TYR 35 Cb -0.19 -3.00 -0.00 0.00 0.35 0.00 0.00 41.96 39.12 1dtk s TYR 35 CO -0.01 -1.20 -0.00 0.66 -1.34 0.00 0.00 175.55 173.66 1dtk h SER 36 N 0.15 0.00 0.00 4.32 4.64 -1.74 0.16 113.55 121.08 1dtk h SER 36 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1dtk h SER 36 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1dtk h SER 36 CO 0.57 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 1dtk n GLY 37 N 1.91 1.27 3.72 -0.77 0.00 -1.26 -4.48 105.19 105.57 1dtk n GLY 37 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1dtk n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dtk n GLY 39 N -1.02 -0.20 0.00 0.00 0.00 -1.26 -4.15 105.19 98.55 1dtk n GLY 39 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1dtk n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dtk n GLY 40 N -2.06 1.60 0.29 -0.02 0.00 -1.26 -3.59 105.19 100.15 1dtk n GLY 40 Ca -0.20 -1.69 -0.00 0.00 0.00 0.00 0.00 46.02 44.13 1dtk n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dtk n ASN 41 N 0.00 -0.16 0.00 1.61 0.23 -1.26 -5.01 115.26 110.67 1dtk n ASN 41 Ca 0.00 -1.10 0.15 0.00 -0.53 0.00 0.00 54.58 53.10 1dtk n ASN 41 Cb 0.00 0.26 0.86 0.00 -2.08 0.00 0.00 39.78 38.82 1dtk n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dtk n ALA 42 N -2.82 2.59 -2.30 -2.53 0.00 -1.26 -4.35 120.51 109.84 1dtk n ALA 42 Ca -0.01 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1dtk n ALA 42 Cb 0.05 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1dtk n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dtk n ASN 43 N -1.13 4.90 -3.71 0.00 2.85 -1.26 -4.89 115.26 112.03 1dtk n ASN 43 Ca 0.19 -3.05 -0.11 0.00 -0.11 0.00 0.00 54.58 51.50 1dtk n ASN 43 Cb 0.17 -1.52 -0.11 0.00 1.24 0.00 0.00 39.78 39.56 1dtk n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1dtk s ARG 44 N 1.00 0.34 0.01 1.20 3.52 -1.26 -4.49 118.95 119.27 1dtk s ARG 44 Ca 0.41 0.69 0.01 0.00 -0.13 0.00 0.00 55.73 56.71 1dtk s ARG 44 Cb 0.09 -0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.44 1dtk s ARG 44 CO -0.01 -0.15 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.25 1dtk s PHE 45 N 1.26 0.21 -0.35 5.12 0.08 0.90 -4.97 117.98 120.21 1dtk s PHE 45 Ca -0.09 -0.17 0.27 0.00 0.12 0.00 0.00 56.93 57.06 1dtk s PHE 45 Cb -0.08 -0.14 0.78 0.00 -0.57 0.00 0.00 43.02 43.01 1dtk s PHE 45 CO -0.10 -0.05 1.76 1.57 -0.10 0.00 0.00 175.22 178.29 1dtk h LYS 46 N 5.68 0.00 -4.19 0.44 2.10 -1.91 0.18 116.57 118.87 1dtk h LYS 46 Ca -0.27 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.17 1dtk h LYS 46 Cb 1.21 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.33 1dtk h LYS 46 CO 0.48 0.00 -0.71 0.95 -2.00 0.00 0.00 179.45 178.17 1dtk s THR 47 N -3.33 0.27 0.34 0.07 -4.23 -1.26 -4.78 115.64 102.72 1dtk s THR 47 Ca 0.06 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 1dtk s THR 47 Cb 0.08 -0.42 0.29 0.00 1.34 0.00 0.00 72.50 73.78 1dtk s THR 47 CO 0.59 -0.48 1.95 -0.29 -0.54 0.00 0.00 174.62 175.85 1dtk h ILE 48 N 4.54 1.05 -0.45 2.99 6.09 -1.95 -2.75 117.51 127.03 1dtk h ILE 48 Ca -0.33 -0.30 -0.13 0.00 -1.37 0.00 0.00 64.86 62.73 1dtk h ILE 48 Cb 1.21 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 1dtk h ILE 48 CO 0.42 0.16 -0.25 1.05 -3.07 0.00 0.00 178.15 176.46 1dtk h GLU 49 N 0.87 0.95 -0.45 2.19 4.11 -1.98 0.26 114.58 120.53 1dtk h GLU 49 Ca 0.33 -0.42 -0.05 0.00 0.07 0.00 0.00 59.36 59.30 1dtk h GLU 49 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1dtk h GLU 49 CO -0.11 1.08 0.10 1.49 0.07 0.00 0.00 179.01 181.64 1dtk h GLU 50 N 0.81 0.72 0.32 1.06 4.81 -1.92 0.15 114.58 120.53 1dtk h GLU 50 Ca 0.10 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1dtk h GLU 50 Cb 0.82 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1dtk h GLU 50 CO 0.07 0.72 -0.20 0.00 -0.73 0.00 0.00 179.01 178.88 1dtk h ARG 52 N -0.50 -0.24 -0.01 0.00 9.65 -0.03 0.04 114.38 123.29 1dtk h ARG 52 Ca -0.03 0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.75 1dtk h ARG 52 Cb 0.42 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1dtk h ARG 52 CO 0.03 -0.16 -0.52 -0.09 2.80 0.00 0.00 179.97 182.03 1dtk h ARG 53 N -0.25 0.03 0.11 0.20 1.12 -0.68 0.38 114.38 115.28 1dtk h ARG 53 Ca 0.17 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.02 1dtk h ARG 53 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 1dtk h ARG 53 CO -0.52 0.54 -0.05 1.15 -3.11 0.00 0.00 179.97 177.98 1dtk h THR 54 N 0.02 1.04 0.00 0.20 2.02 -0.29 -3.42 112.91 112.48 1dtk h THR 54 Ca -0.00 -0.59 -0.32 0.00 0.77 0.00 0.00 66.41 66.27 1dtk h THR 54 Cb 0.93 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 1dtk h THR 54 CO 0.07 0.14 -2.19 0.00 0.37 0.00 0.00 175.52 173.91 1dtk n VAL 56 N -3.02 0.00 1.81 0.00 0.31 0.13 -4.11 118.33 113.45 1dtk n VAL 56 Ca -0.35 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.13 1dtk n VAL 56 Cb 0.93 -1.37 0.79 0.00 -0.91 0.00 0.00 33.84 33.28 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12