#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujl n ILE 2 N 0.00 2.10 0.00 0.00 2.08 -1.26 -4.92 119.36 117.36 1ujl n ILE 2 Ca 0.00 -2.19 0.00 0.00 0.56 0.00 0.00 62.75 61.12 1ujl n ILE 2 Cb 0.00 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.64 1ujl n ILE 2 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ujl n GLY 3 N -1.05 2.48 0.26 7.39 0.00 -1.26 -4.83 105.19 108.18 1ujl n GLY 3 Ca 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ujl n GLY 3 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujl n ASN 4 N 0.00 0.00 -4.52 1.61 3.02 -1.26 -5.06 115.26 109.05 1ujl n ASN 4 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1ujl n ASN 4 Cb 0.00 0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.07 1ujl n ASN 4 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ujl n MET 5 N -1.63 0.23 0.15 3.52 1.56 -1.26 -4.72 117.12 114.97 1ujl n MET 5 Ca 0.00 -0.12 0.05 0.00 -0.27 0.00 0.00 57.70 57.36 1ujl n MET 5 Cb 0.00 -1.91 0.05 0.00 2.15 0.00 0.00 33.22 33.51 1ujl n MET 5 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1ujl h GLU 6 N 12.88 0.00 -7.32 2.12 5.08 -2.00 -3.39 114.58 121.95 1ujl h GLU 6 Ca -0.04 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.81 1ujl h GLU 6 Cb 1.20 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.57 1ujl h GLU 6 CO 1.39 0.34 0.34 -0.65 -1.00 0.00 0.00 179.01 179.42 1ujl s GLN 7 N -3.04 2.53 0.00 2.33 1.11 -1.26 -4.99 119.66 116.34 1ujl s GLN 7 Ca 0.04 1.09 0.00 0.00 0.01 0.00 0.00 55.36 56.50 1ujl s GLN 7 Cb 0.07 -1.93 0.00 0.00 -1.01 0.00 0.00 33.01 30.14 1ujl s GLN 7 CO 0.73 -1.43 0.00 -0.35 0.01 0.00 0.00 175.29 174.25 1ujl n PRO 8 N -3.35 1.53 -2.92 2.91 -0.04 -1.26 -4.31 135.00 127.56 1ujl n PRO 8 Ca 0.08 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 1ujl n PRO 8 Cb 0.53 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1ujl n PRO 8 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ujl n HIS 9 N -0.58 -1.66 -2.78 0.54 1.44 -1.26 -4.80 115.22 106.12 1ujl n HIS 9 Ca 0.00 0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.96 1ujl n HIS 9 Cb 0.00 -2.75 0.05 0.00 0.12 0.00 0.00 29.99 27.41 1ujl n HIS 9 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1ujl n MET 10 N -3.27 1.51 0.00 -1.40 2.81 -1.26 -4.97 117.12 110.55 1ujl n MET 10 Ca -0.07 -3.16 0.00 0.00 -1.81 0.00 0.00 57.70 52.67 1ujl n MET 10 Cb 0.57 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1ujl n MET 10 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ujl n ASP 11 N -0.56 0.00 -3.33 7.83 9.92 -1.26 -3.85 116.55 125.30 1ujl n ASP 11 Ca 0.05 0.05 -0.18 0.00 -0.53 0.00 0.00 54.79 54.18 1ujl n ASP 11 Cb 0.84 -0.13 0.08 0.00 -0.64 0.00 0.00 41.12 41.27 1ujl n ASP 11 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ujl n SER 12 N -1.42 -3.24 -3.49 -2.24 2.88 -1.26 -2.68 113.62 102.18 1ujl n SER 12 Ca 0.00 -0.56 -0.20 0.00 -1.33 0.00 0.00 58.87 56.78 1ujl n SER 12 Cb 0.00 -4.84 0.08 0.00 -0.75 0.00 0.00 64.21 58.70 1ujl n SER 12 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ujl n ARG 13 N -4.19 -7.20 -1.74 -1.46 3.00 -1.26 -4.98 116.66 98.82 1ujl n ARG 13 Ca -0.19 0.83 -0.31 0.00 -0.00 0.00 0.00 57.85 58.18 1ujl n ARG 13 Cb 0.63 -5.85 0.03 0.00 0.00 0.00 0.00 32.46 27.26 1ujl n ARG 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1ujl s ILE 14 N -3.34 4.35 0.00 5.15 2.07 -1.09 -4.69 121.20 123.65 1ujl s ILE 14 Ca 0.27 0.78 0.00 0.00 -1.41 0.00 0.00 60.65 60.29 1ujl s ILE 14 Cb -0.12 -3.62 0.00 0.00 0.13 0.00 0.00 42.46 38.85 1ujl s ILE 14 CO 0.72 -0.98 0.00 0.61 -1.91 0.00 0.00 174.94 173.39 1ujl n GLY 15 N -2.30 0.64 0.37 1.50 0.00 -1.26 -5.01 105.19 99.12 1ujl n GLY 15 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 1ujl n GLY 15 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1ujl h TRP 16 N 0.00 0.96 0.00 1.61 5.08 -2.01 1.26 115.95 122.85 1ujl h TRP 16 Ca 0.00 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.98 1ujl h TRP 16 Cb 0.00 -0.29 -0.00 0.00 -3.00 0.00 0.00 29.16 25.87 1ujl h TRP 16 CO 0.00 0.19 -0.10 -0.07 -1.28 0.00 0.00 178.44 177.18 1ujl h LEU 17 N 0.67 0.00 -2.83 0.11 3.38 -2.00 -2.28 115.31 112.35 1ujl h LEU 17 Ca 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.49 1ujl h LEU 17 Cb 1.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1ujl h LEU 17 CO -0.35 0.10 0.07 1.41 0.09 0.00 0.00 178.44 179.76 1ujl n HIS 18 N -3.24 1.52 0.00 1.13 8.25 0.43 -3.75 115.22 119.56 1ujl n HIS 18 Ca 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1ujl n HIS 18 Cb 0.37 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1ujl n HIS 18 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ujl n ASN 19 N 0.27 0.18 0.26 0.41 5.15 -0.90 -4.78 115.26 115.85 1ujl n ASN 19 Ca 0.22 0.00 0.17 0.00 -0.60 0.00 0.00 54.58 54.38 1ujl n ASN 19 Cb 0.96 0.00 0.82 0.00 -0.53 0.00 0.00 39.78 41.02 1ujl n ASN 19 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1ujl h LEU 20 N 0.00 0.00 0.11 1.20 8.10 -1.62 -2.29 115.31 120.81 1ujl h LEU 20 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.00 1ujl h LEU 20 Cb 0.40 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.60 1ujl h LEU 20 CO 0.00 0.00 -0.20 1.23 -4.11 0.00 0.00 178.44 175.36 1ujl h GLY 21 N 1.17 -0.37 1.26 0.17 0.00 -1.83 -0.35 103.07 103.12 1ujl h GLY 21 Ca 0.00 0.24 -0.28 0.00 0.00 0.00 0.00 47.33 47.28 1ujl h GLY 21 CO 0.00 -0.19 -1.51 -0.55 0.00 0.00 0.00 176.54 174.29 1ujl h ASP 22 N -0.38 0.15 -0.84 0.19 3.32 -1.89 -3.33 116.42 113.64 1ujl h ASP 22 Ca 0.03 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 56.89 1ujl h ASP 22 Cb 0.40 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 1ujl h ASP 22 CO -0.11 1.20 0.55 -0.61 -1.72 0.00 0.00 179.24 178.55 1ujl h GLN 23 N 0.03 0.96 -6.77 3.56 5.75 -1.36 -3.47 115.11 113.81 1ujl h GLN 23 Ca -0.22 -0.06 -0.50 0.00 -0.15 0.00 0.00 58.65 57.72 1ujl h GLN 23 Cb 1.96 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 30.29 1ujl h GLN 23 CO 0.12 0.63 -1.08 -0.89 -2.65 0.00 0.00 178.83 174.96 1ujl n ILE 24 N -4.47 -3.33 1.06 2.39 5.41 -0.15 -4.86 119.36 115.42 1ujl n ILE 24 Ca 0.12 -0.10 0.13 0.00 1.00 0.00 0.00 62.75 63.90 1ujl n ILE 24 Cb 0.16 -2.89 0.34 0.00 -0.71 0.00 0.00 39.64 36.54 1ujl n ILE 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ujl n GLY 25 N -1.71 -1.18 3.84 7.39 0.00 -1.26 -4.89 105.19 107.37 1ujl n GLY 25 Ca -0.29 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1ujl n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ujl s LYS 26 N -2.90 4.07 0.30 1.61 2.20 -1.26 -4.95 119.74 118.80 1ujl s LYS 26 Ca 0.14 0.71 0.21 0.00 -0.36 0.00 0.00 55.97 56.67 1ujl s LYS 26 Cb 0.18 -2.59 1.10 0.00 -1.51 0.00 0.00 37.83 35.01 1ujl s LYS 26 CO 0.64 0.24 1.63 -2.30 -0.36 0.00 0.00 175.35 175.20 1ujl n PRO 27 N -0.00 0.14 -3.22 4.03 -0.02 -1.26 -4.15 135.00 130.51 1ujl n PRO 27 Ca 0.01 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 1ujl n PRO 27 Cb 0.52 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1ujl n PRO 27 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ujl s TYR 28 N -3.50 -1.49 -0.93 6.00 1.13 -1.26 -5.07 117.35 112.23 1ujl s TYR 28 Ca -0.02 0.63 -0.23 0.00 -1.41 0.00 0.00 57.07 56.04 1ujl s TYR 28 Cb 0.06 0.13 -0.21 0.00 -1.10 0.00 0.00 41.96 40.84 1ujl s TYR 28 CO 0.20 -1.06 1.96 0.27 -2.51 0.00 0.00 175.55 174.41 1ujl n ASN 29 N 5.21 0.86 -2.51 -0.18 6.94 -1.26 -4.21 115.26 120.12 1ujl n ASN 29 Ca 0.05 -2.34 -0.02 0.00 -0.02 0.00 0.00 54.58 52.25 1ujl n ASN 29 Cb 0.52 -1.57 -0.02 0.00 -2.36 0.00 0.00 39.78 36.36 1ujl n ASN 29 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1ujl n SER 30 N 17.88 -4.55 -4.67 0.53 2.88 -1.26 -4.80 113.62 119.63 1ujl n SER 30 Ca 0.35 1.40 -0.45 0.00 -1.33 0.00 0.00 58.87 58.84 1ujl n SER 30 Cb 0.47 -3.98 -0.04 0.00 -0.75 0.00 0.00 64.21 59.92 1ujl n SER 30 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujl n SER 31 N 1.96 2.97 -2.87 -3.46 2.88 -1.26 -4.94 113.62 108.90 1ujl n SER 31 Ca -0.14 1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 58.38 1ujl n SER 31 Cb 0.22 -1.43 0.03 0.00 -0.75 0.00 0.00 64.21 62.28 1ujl n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujl n GLY 32 N 2.88 1.07 3.80 0.46 0.00 -1.26 -5.14 105.19 107.00 1ujl n GLY 32 Ca 0.15 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1ujl n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ujl s LEU 33 N -1.40 3.32 -0.34 0.99 2.96 -1.26 -4.88 118.68 118.08 1ujl s LEU 33 Ca 0.31 1.81 -0.40 0.00 -0.22 0.00 0.00 54.13 55.63 1ujl s LEU 33 Cb 0.25 -4.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.26 1ujl s LEU 33 CO -0.15 -1.45 1.89 0.61 -1.32 0.00 0.00 176.35 175.93 1ujl n GLY 34 N -1.16 0.62 3.15 7.98 0.00 -1.26 -4.90 105.19 109.61 1ujl n GLY 34 Ca 0.09 0.96 0.05 0.00 0.00 0.00 0.00 46.02 47.12 1ujl n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ujl s GLY 35 N 4.73 -0.71 0.37 -0.02 0.00 -1.26 -5.03 107.32 105.40 1ujl s GLY 35 Ca 1.04 2.26 0.15 0.00 0.00 0.00 0.00 44.72 48.17 1ujl s GLY 35 CO 0.63 3.81 1.76 -2.55 0.00 0.00 0.00 173.10 176.74 1ujl h PRO 36 N 7.81 0.46 -0.79 2.90 0.11 -1.99 0.10 132.00 140.60 1ujl h PRO 36 Ca -0.12 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.98 1ujl h PRO 36 Cb 1.17 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1ujl h PRO 36 CO -0.01 0.31 0.51 0.77 -0.21 0.00 0.00 178.00 179.37 1ujl h SER 37 N 0.48 0.86 0.47 -2.05 0.02 -1.98 -1.47 113.55 109.88 1ujl h SER 37 Ca 0.61 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.53 1ujl h SER 37 Cb 1.38 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ujl h SER 37 CO -0.36 0.60 -0.23 0.40 -1.14 0.00 0.00 176.83 176.10 1ujl h ILE 38 N 1.01 0.00 -1.16 3.27 2.04 -1.20 -0.19 117.51 121.28 1ujl h ILE 38 Ca 0.31 -0.47 0.34 0.00 1.00 0.00 0.00 64.86 66.04 1ujl h ILE 38 Cb -0.03 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.00 1ujl h ILE 38 CO -0.10 0.00 0.89 0.50 0.00 0.00 0.00 178.15 179.44 1ujl h LYS 39 N -1.10 0.00 0.00 2.37 1.63 -1.34 1.05 116.57 119.18 1ujl h LYS 39 Ca -0.06 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.58 1ujl h LYS 39 Cb 0.49 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1ujl h LYS 39 CO 0.11 0.00 -1.29 0.22 -3.45 0.00 0.00 179.45 175.04 1ujl h ASP 40 N 0.00 0.00 1.18 4.20 1.82 -1.24 -3.29 116.42 119.10 1ujl h ASP 40 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1ujl h ASP 40 Cb 2.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.33 1ujl h ASP 40 CO -0.01 0.56 0.00 0.50 -1.61 0.00 0.00 179.24 178.68 1ujl h LYS 41 N 0.00 0.00 0.00 0.28 1.63 0.30 -3.51 116.57 115.27 1ujl h LYS 41 Ca -0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1ujl h LYS 41 Cb 1.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.18 1ujl h LYS 41 CO 0.05 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 176.71