#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujl s ILE 2 N 0.00 2.60 0.00 0.00 1.09 -1.26 -4.97 121.20 118.66 1ujl s ILE 2 Ca 0.00 -2.26 0.00 0.00 -1.10 0.00 0.00 60.65 57.29 1ujl s ILE 2 Cb 0.00 -2.35 0.00 0.00 -1.06 0.00 0.00 42.46 39.05 1ujl s ILE 2 CO 0.00 -0.34 0.00 0.61 -0.10 0.00 0.00 174.94 175.11 1ujl n GLY 3 N -0.47 0.00 0.00 6.18 0.00 -1.26 -5.04 105.19 104.60 1ujl n GLY 3 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ujl n GLY 3 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ujl n ASN 4 N 0.00 0.00 -4.56 1.61 5.15 -1.26 -5.13 115.26 111.07 1ujl n ASN 4 Ca 0.00 0.00 -0.51 0.00 -0.60 0.00 0.00 54.58 53.47 1ujl n ASN 4 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1ujl n ASN 4 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1ujl n MET 5 N 0.00 0.92 0.00 1.20 0.00 -1.26 -4.67 117.12 113.31 1ujl n MET 5 Ca 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 57.70 58.03 1ujl n MET 5 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.41 1ujl n MET 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ujl n GLU 6 N 1.80 0.00 -2.33 2.12 2.13 -1.26 -5.14 120.64 117.96 1ujl n GLU 6 Ca 0.16 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.68 1ujl n GLU 6 Cb 0.21 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.91 1ujl n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1ujl s GLN 7 N -1.14 3.76 -0.81 5.31 1.11 -1.26 -4.98 119.66 121.65 1ujl s GLN 7 Ca 0.00 0.71 -0.26 0.00 0.01 0.00 0.00 55.36 55.83 1ujl s GLN 7 Cb 0.00 -2.19 0.01 0.00 -1.01 0.00 0.00 33.01 29.82 1ujl s GLN 7 CO 0.00 -0.32 1.54 -1.25 0.01 0.00 0.00 175.29 175.26 1ujl s PRO 8 N -4.48 3.09 -0.24 2.91 0.04 -1.26 -4.77 135.00 130.29 1ujl s PRO 8 Ca 0.55 -0.30 -0.15 0.00 0.04 0.00 0.00 61.00 61.14 1ujl s PRO 8 Cb -0.10 -4.65 -0.10 0.00 0.04 0.00 0.00 34.50 29.69 1ujl s PRO 8 CO 0.40 -2.46 -0.35 0.72 0.04 0.00 0.00 177.00 175.36 1ujl n HIS 9 N 10.58 0.00 -3.07 0.56 8.25 -1.26 -5.06 115.22 125.22 1ujl n HIS 9 Ca 0.19 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.63 1ujl n HIS 9 Cb 0.50 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1ujl n HIS 9 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1ujl n MET 10 N -4.30 -1.45 -0.81 -0.41 2.81 -1.26 -4.95 117.12 106.76 1ujl n MET 10 Ca -0.40 1.54 -0.04 0.00 -1.81 0.00 0.00 57.70 56.98 1ujl n MET 10 Cb 0.76 -5.60 0.20 0.00 -0.71 0.00 0.00 33.22 27.87 1ujl n MET 10 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1ujl n ASP 11 N -1.64 2.39 -0.59 7.83 5.68 -1.26 -4.56 116.55 124.40 1ujl n ASP 11 Ca -0.00 -3.81 0.06 0.00 -0.50 0.00 0.00 54.79 50.54 1ujl n ASP 11 Cb 0.50 -0.63 0.20 0.00 -1.14 0.00 0.00 41.12 40.05 1ujl n ASP 11 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ujl n SER 12 N -1.13 1.73 -3.16 -1.12 3.41 -1.26 -4.81 113.62 107.29 1ujl n SER 12 Ca 0.33 -3.79 -0.37 0.00 -0.26 0.00 0.00 58.87 54.78 1ujl n SER 12 Cb 1.02 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1ujl n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ujl n ARG 13 N -1.09 4.00 -2.82 4.33 3.00 -1.26 -5.02 116.66 117.80 1ujl n ARG 13 Ca 0.18 -4.32 -0.40 0.00 -0.00 0.00 0.00 57.85 53.31 1ujl n ARG 13 Cb 0.70 -2.34 -0.05 0.00 0.00 0.00 0.00 32.46 30.77 1ujl n ARG 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1ujl s ILE 14 N -4.74 4.48 0.00 5.15 1.01 -1.26 -4.90 121.20 120.93 1ujl s ILE 14 Ca 0.46 1.93 0.00 0.00 0.00 0.00 0.00 60.65 63.03 1ujl s ILE 14 Cb 0.31 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1ujl s ILE 14 CO -0.23 0.38 0.12 0.61 0.00 0.00 0.00 174.94 175.82 1ujl n GLY 15 N 2.10 0.86 0.24 6.18 0.00 -1.26 -4.94 105.19 108.38 1ujl n GLY 15 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.31 0.00 1.61 5.08 -2.00 0.98 115.95 121.93 1ujl h TRP 16 Ca 0.00 0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 1ujl h TRP 16 Cb 1.00 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 27.13 1ujl h TRP 16 CO -0.06 0.01 -0.01 -0.07 -1.28 0.00 0.00 178.44 177.03 1ujl h LEU 17 N 0.32 0.00 -2.64 0.11 3.38 -2.01 -0.29 115.31 114.18 1ujl h LEU 17 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ujl h LEU 17 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ujl h LEU 17 CO -0.40 0.01 0.00 1.41 0.09 0.00 0.00 178.44 179.56 1ujl n HIS 18 N -3.14 1.34 0.00 1.13 8.25 0.33 -3.94 115.22 119.19 1ujl n HIS 18 Ca -0.01 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 1ujl n HIS 18 Cb 0.20 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 0.50 0.87 0.20 0.41 5.15 -0.16 -4.73 115.26 117.50 1ujl n ASN 19 Ca 0.19 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.28 1ujl n ASN 19 Cb 0.84 0.00 0.67 0.00 -0.53 0.00 0.00 39.78 40.77 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 -1.16 1.20 8.10 -1.60 -0.91 115.31 120.93 1ujl h LEU 20 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 1ujl h LEU 20 Cb 0.69 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1ujl h LEU 20 CO 0.00 0.00 -0.21 1.23 -4.11 0.00 0.00 178.44 175.35 1ujl h GLY 21 N 0.00 0.35 1.66 0.17 0.00 -1.85 -2.37 103.07 101.03 1ujl h GLY 21 Ca 0.06 -0.25 -0.25 0.00 0.00 0.00 0.00 47.33 46.88 1ujl h GLY 21 CO -0.00 0.23 -1.24 -0.55 0.00 0.00 0.00 176.54 174.99 1ujl h ASP 22 N 0.30 0.14 -0.27 0.19 3.32 -1.48 -1.04 116.42 117.57 1ujl h ASP 22 Ca 0.05 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1ujl h ASP 22 Cb 0.54 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1ujl h ASP 22 CO 0.04 1.14 0.09 1.56 -1.72 0.00 0.00 179.24 180.35 1ujl h GLN 23 N 0.02 0.42 0.00 3.56 1.08 -1.15 -3.38 115.11 115.67 1ujl h GLN 23 Ca -0.11 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1ujl h GLN 23 Cb 1.88 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.25 1ujl h GLN 23 CO 0.14 0.47 -0.12 -0.89 -0.95 0.00 0.00 178.83 177.48 1ujl n ILE 24 N -4.74 0.32 0.00 2.54 5.41 -0.91 -5.03 119.36 116.95 1ujl n ILE 24 Ca -0.03 0.44 0.00 0.00 1.00 0.00 0.00 62.75 64.16 1ujl n ILE 24 Cb 0.15 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 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 1.72 1.11 3.73 7.39 0.00 -0.39 -5.07 105.19 113.67 1ujl n GLY 25 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ujl n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ujl n LYS 26 N -1.57 2.42 -0.58 1.61 2.85 -1.26 -4.81 118.16 116.82 1ujl n LYS 26 Ca 0.00 0.85 -0.17 0.00 -1.05 0.00 0.00 58.31 57.95 1ujl n LYS 26 Cb 0.00 -2.54 -0.02 0.00 -0.65 0.00 0.00 35.03 31.83 1ujl n LYS 26 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ujl n PRO 27 N 1.04 1.61 -2.32 -1.58 -0.02 -1.26 -4.69 135.00 127.79 1ujl n PRO 27 Ca 0.05 -1.21 -0.04 0.00 -2.02 0.00 0.00 63.50 60.28 1ujl n PRO 27 Cb 0.37 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1ujl n PRO 27 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1ujl n TYR 28 N 4.25 -0.34 0.00 6.00 0.18 -1.26 -2.90 117.16 123.09 1ujl n TYR 28 Ca 0.34 0.14 0.00 0.00 1.88 0.00 0.00 57.90 60.26 1ujl n TYR 28 Cb 0.13 -0.37 0.00 0.00 -0.38 0.00 0.00 39.34 38.71 1ujl n TYR 28 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1ujl n ASN 29 N 0.25 0.00 -3.32 9.48 2.85 -1.26 -4.21 115.26 119.05 1ujl n ASN 29 Ca -0.04 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.45 1ujl n ASN 29 Cb 0.11 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.10 1ujl n ASN 29 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1ujl s SER 30 N -4.00 -1.16 0.00 1.20 0.15 -1.14 -5.03 113.70 103.72 1ujl s SER 30 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1ujl s SER 30 Cb 0.00 2.09 0.00 0.00 -1.71 0.00 0.00 66.02 66.40 1ujl s SER 30 CO 0.00 -0.22 0.00 -0.24 1.20 0.00 0.00 173.24 173.98 1ujl n SER 31 N 5.40 0.00 -2.82 5.45 2.88 -1.26 -4.99 113.62 118.29 1ujl n SER 31 Ca -0.05 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.29 1ujl n SER 31 Cb 0.51 0.19 -0.01 0.00 -0.75 0.00 0.00 64.21 64.15 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 -0.57 3.99 1.11 0.46 0.00 -1.26 -4.84 105.19 104.09 1ujl n GLY 32 Ca 0.00 -2.06 0.06 0.00 0.00 0.00 0.00 46.02 44.02 1ujl n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujl n LEU 33 N -0.11 3.22 -4.55 0.99 0.00 -1.26 -4.98 117.00 110.32 1ujl n LEU 33 Ca 0.25 -1.62 -0.49 0.00 0.00 0.00 0.00 56.01 54.15 1ujl n LEU 33 Cb 0.65 -0.46 -0.04 0.00 0.00 0.00 0.00 43.42 43.56 1ujl n LEU 33 CO 0.28 0.55 0.57 0.61 0.00 0.00 0.00 177.39 179.40 1ujl n GLY 34 N 0.80 -0.30 0.00 -3.96 0.00 -1.26 -4.98 105.19 95.49 1ujl n GLY 34 Ca 0.16 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1ujl n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujl n GLY 35 N 1.83 0.89 0.23 -0.02 0.00 -1.26 -4.63 105.19 102.23 1ujl n GLY 35 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1ujl n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujl h PRO 36 N 0.00 0.00 0.44 1.61 0.13 -1.96 -2.19 132.00 130.03 1ujl h PRO 36 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1ujl h PRO 36 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ujl h PRO 36 CO 0.00 0.22 -0.30 1.03 -0.23 0.00 0.00 178.00 178.73 1ujl h SER 37 N 0.00 -0.76 0.02 1.44 0.87 -1.98 -0.36 113.55 112.78 1ujl h SER 37 Ca -0.00 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1ujl h SER 37 Cb 0.57 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1ujl h SER 37 CO 0.03 -0.44 -0.01 0.40 -0.53 0.00 0.00 176.83 176.28 1ujl h ILE 38 N -0.70 1.22 -0.76 2.23 2.04 -1.82 -0.21 117.51 119.52 1ujl h ILE 38 Ca -0.06 -0.74 0.22 0.00 1.00 0.00 0.00 64.86 65.28 1ujl h ILE 38 Cb 0.57 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1ujl h ILE 38 CO 0.04 0.19 0.69 0.11 0.00 0.00 0.00 178.15 179.18 1ujl h LYS 39 N -0.35 0.00 0.00 2.37 1.79 -1.44 0.60 116.57 119.55 1ujl h LYS 39 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1ujl h LYS 39 Cb 0.33 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1ujl h LYS 39 CO 0.00 0.00 -1.74 -0.25 -1.08 0.00 0.00 179.45 176.39 1ujl n ASP 40 N -3.83 0.28 0.26 0.86 9.92 -0.15 -4.05 116.55 119.86 1ujl n ASP 40 Ca 0.16 0.11 0.16 0.00 -0.53 0.00 0.00 54.79 54.69 1ujl n ASP 40 Cb 0.95 1.36 0.56 0.00 -0.64 0.00 0.00 41.12 43.36 1ujl n ASP 40 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1ujl h LYS 41 N 0.00 0.00 0.00 -1.24 1.63 0.20 -3.51 116.57 113.66 1ujl h LYS 41 Ca -0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1ujl h LYS 41 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1ujl h LYS 41 CO 0.01 0.01 0.00 0.66 -3.45 0.00 0.00 179.45 176.68