#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 5.02 0.57 0.00 1.09 -1.26 -4.97 121.20 121.65 1ujl s ILE 2 Ca 0.00 -0.16 0.27 0.00 -1.10 0.00 0.00 60.65 59.66 1ujl s ILE 2 Cb 0.00 -3.86 0.36 0.00 -1.06 0.00 0.00 42.46 37.91 1ujl s ILE 2 CO 0.00 -0.67 2.07 1.23 -0.10 0.00 0.00 174.94 177.47 1ujl h GLY 3 N 0.59 0.00 -4.32 6.18 0.00 -2.10 -3.47 103.07 99.95 1ujl h GLY 3 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1ujl h GLY 3 CO 0.62 0.00 -0.49 -2.01 0.00 0.00 0.00 176.54 174.66 1ujl n ASN 4 N -3.96 -5.62 -3.63 0.19 2.85 -1.26 -5.03 115.26 98.79 1ujl n ASN 4 Ca 0.03 0.66 0.00 0.00 -0.11 0.00 0.00 54.58 55.16 1ujl n ASN 4 Cb 0.39 -3.63 0.00 0.00 1.24 0.00 0.00 39.78 37.78 1ujl n ASN 4 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1ujl n MET 5 N 0.12 0.55 -1.70 1.20 2.81 -1.26 -4.60 117.12 114.24 1ujl n MET 5 Ca 0.03 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.74 1ujl n MET 5 Cb 0.11 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.52 1ujl n MET 5 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ujl s GLU 6 N -0.61 1.52 0.28 0.03 2.56 -1.26 -4.89 118.70 116.32 1ujl s GLU 6 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 54.97 54.67 1ujl s GLU 6 Cb 0.00 -4.99 -0.04 0.00 2.00 0.00 0.00 34.13 31.10 1ujl s GLU 6 CO 0.00 -4.99 0.12 -0.65 -0.56 0.00 0.00 175.26 169.17 1ujl s GLN 7 N 8.15 2.59 -0.69 4.30 -0.21 -1.26 -5.04 119.66 127.49 1ujl s GLN 7 Ca 0.81 -1.28 -0.26 0.00 0.02 0.00 0.00 55.36 54.65 1ujl s GLN 7 Cb -0.06 -2.35 -0.06 0.00 1.00 0.00 0.00 33.01 31.54 1ujl s GLN 7 CO 0.15 0.32 2.13 -1.25 -2.12 0.00 0.00 175.29 174.52 1ujl s PRO 8 N -3.79 2.27 -0.89 2.91 0.04 -1.26 -4.88 135.00 129.39 1ujl s PRO 8 Ca 0.34 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.92 1ujl s PRO 8 Cb -0.06 -4.69 0.24 0.00 0.04 0.00 0.00 34.50 30.03 1ujl s PRO 8 CO 0.23 -3.38 0.87 0.72 0.04 0.00 0.00 177.00 175.47 1ujl n HIS 9 N 15.06 3.92 -2.03 0.56 8.25 -1.26 -4.72 115.22 134.99 1ujl n HIS 9 Ca 0.35 -3.95 -0.20 0.00 -0.26 0.00 0.00 57.72 53.66 1ujl n HIS 9 Cb 0.50 -1.08 -0.04 0.00 1.12 0.00 0.00 29.99 30.48 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 1.98 -1.61 -3.03 -0.41 2.81 -1.26 -3.44 117.12 112.16 1ujl n MET 10 Ca 0.23 1.06 -0.15 0.00 -1.81 0.00 0.00 57.70 57.03 1ujl n MET 10 Cb 0.37 -5.58 0.02 0.00 -0.71 0.00 0.00 33.22 27.31 1ujl n MET 10 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ujl n ASP 11 N -1.66 -7.35 -3.17 7.83 -0.08 -1.26 -5.00 116.55 105.86 1ujl n ASP 11 Ca -0.22 0.32 -0.19 0.00 -1.51 0.00 0.00 54.79 53.20 1ujl n ASP 11 Cb 0.67 -4.50 0.15 0.00 2.34 0.00 0.00 41.12 39.78 1ujl n ASP 11 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1ujl n SER 12 N -0.40 -1.43 -2.06 1.67 3.41 -1.22 -4.84 113.62 108.75 1ujl n SER 12 Ca 0.06 -0.98 -0.01 0.00 -0.26 0.00 0.00 58.87 57.68 1ujl n SER 12 Cb 0.52 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 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 -3.49 -1.94 -1.86 4.33 3.00 -1.26 -5.02 116.66 110.41 1ujl n ARG 13 Ca 0.10 1.76 -0.31 0.00 -0.00 0.00 0.00 57.85 59.40 1ujl n ARG 13 Cb 0.37 -3.08 0.01 0.00 0.00 0.00 0.00 32.46 29.77 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 -0.60 4.66 0.00 5.15 2.07 -1.26 -4.71 121.20 126.52 1ujl s ILE 14 Ca -0.06 0.87 0.00 0.00 -1.41 0.00 0.00 60.65 60.05 1ujl s ILE 14 Cb 0.00 -3.84 0.00 0.00 0.13 0.00 0.00 42.46 38.76 1ujl s ILE 14 CO 0.39 -1.12 0.00 0.61 -1.91 0.00 0.00 174.94 172.90 1ujl n GLY 15 N -2.68 0.55 0.37 1.50 0.00 -1.26 -5.01 105.19 98.65 1ujl n GLY 15 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 0.95 0.00 1.61 5.08 -2.00 1.25 115.95 122.84 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 0.66 0.00 -2.74 0.11 3.38 -2.00 -2.32 115.31 112.40 1ujl h LEU 17 Ca 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.53 1ujl h LEU 17 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1ujl h LEU 17 CO -0.36 0.10 0.02 1.41 0.09 0.00 0.00 178.44 179.70 1ujl n HIS 18 N -3.22 1.43 0.00 1.13 8.25 0.43 -3.66 115.22 119.57 1ujl n HIS 18 Ca 0.01 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 1ujl n HIS 18 Cb 0.37 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 0.37 0.70 0.24 0.41 5.15 -0.92 -4.79 115.26 116.42 1ujl n ASN 19 Ca 0.20 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.28 1ujl n ASN 19 Cb 0.91 0.00 0.58 0.00 -0.53 0.00 0.00 39.78 40.73 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 -2.08 1.20 8.10 -1.60 -2.39 115.31 118.54 1ujl h LEU 20 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ujl h LEU 20 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 1ujl h LEU 20 CO 0.00 0.20 0.00 1.23 -4.11 0.00 0.00 178.44 175.76 1ujl h GLY 21 N 1.28 0.00 0.00 0.17 0.00 -1.83 -0.32 103.07 102.37 1ujl h GLY 21 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.96 1ujl h GLY 21 CO 0.03 0.00 -2.30 1.22 0.00 0.00 0.00 176.54 175.49 1ujl n ASP 22 N -3.07 2.02 0.23 0.19 8.00 -0.97 -4.48 116.55 118.47 1ujl n ASP 22 Ca -0.01 0.06 0.09 0.00 0.71 0.00 0.00 54.79 55.64 1ujl n ASP 22 Cb 0.21 -0.50 0.53 0.00 -0.02 0.00 0.00 41.12 41.33 1ujl n ASP 22 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1ujl h GLN 23 N -0.37 0.00 -0.56 -1.24 3.07 -1.45 -2.90 115.11 111.66 1ujl h GLN 23 Ca -0.54 0.00 0.16 0.00 0.09 0.00 0.00 58.65 58.36 1ujl h GLN 23 Cb 1.67 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.21 1ujl h GLN 23 CO -0.20 0.23 0.50 0.97 0.09 0.00 0.00 178.83 180.42 1ujl h ILE 24 N 0.00 0.46 -1.45 1.86 2.10 -1.27 -3.47 117.51 115.74 1ujl h ILE 24 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ujl h ILE 24 Cb 0.61 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1ujl h ILE 24 CO 0.03 0.00 -0.23 0.61 -1.08 0.00 0.00 178.15 177.48 1ujl n GLY 25 N -1.57 -3.93 3.83 8.18 0.00 -1.10 -5.00 105.19 105.61 1ujl n GLY 25 Ca 0.11 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1ujl n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujl s LYS 26 N -2.92 3.87 -1.07 1.61 3.01 -1.26 -4.92 119.74 118.05 1ujl s LYS 26 Ca 0.00 1.02 -0.09 0.00 -1.01 0.00 0.00 55.97 55.88 1ujl s LYS 26 Cb 0.00 -2.12 -0.07 0.00 -1.01 0.00 0.00 37.83 34.63 1ujl s LYS 26 CO 0.00 -0.34 2.26 -0.35 0.51 0.00 0.00 175.35 177.42 1ujl n PRO 27 N -1.57 2.36 0.00 -1.68 -0.04 -1.26 -4.83 135.00 127.98 1ujl n PRO 27 Ca 0.07 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1ujl n PRO 27 Cb 0.54 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1ujl n PRO 27 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1ujl n TYR 28 N 4.64 0.00 -3.26 0.54 0.18 -1.26 -3.74 117.16 114.25 1ujl n TYR 28 Ca 0.52 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 60.05 1ujl n TYR 28 Cb 0.20 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.09 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 -0.21 1.88 -2.16 9.48 2.85 -1.26 -4.90 115.26 120.93 1ujl n ASN 29 Ca 0.00 -3.07 -0.24 0.00 -0.11 0.00 0.00 54.58 51.16 1ujl n ASN 29 Cb 0.00 -0.65 0.17 0.00 1.24 0.00 0.00 39.78 40.54 1ujl n ASN 29 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1ujl n SER 30 N 1.00 4.20 -1.87 1.20 7.64 -1.25 -4.95 113.62 119.60 1ujl n SER 30 Ca 0.25 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.48 1ujl n SER 30 Cb 0.48 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1ujl n SER 30 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujl n SER 31 N -1.11 0.97 0.10 6.43 2.88 -1.26 -5.10 113.62 116.52 1ujl n SER 31 Ca 0.58 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1ujl n SER 31 Cb 1.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 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 5.00 -0.32 3.62 0.46 0.00 -1.26 -5.12 105.19 107.56 1ujl n GLY 32 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -6.34 1.74 0.00 0.99 0.20 -1.26 -4.98 118.68 109.03 1ujl s LEU 33 Ca 0.00 1.61 0.00 0.00 0.69 0.00 0.00 54.13 56.43 1ujl s LEU 33 Cb 0.00 -3.79 0.00 0.00 -0.43 0.00 0.00 46.19 41.97 1ujl s LEU 33 CO 0.00 -3.40 0.00 0.61 -0.29 0.00 0.00 176.35 173.27 1ujl n GLY 34 N -0.11 3.51 2.82 7.98 0.00 -1.26 -5.04 105.19 113.09 1ujl n GLY 34 Ca 0.06 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 1.93 0.05 -0.02 0.00 -1.26 -4.97 107.32 103.04 1ujl s GLY 35 Ca 0.00 -2.78 -0.19 0.00 0.00 0.00 0.00 44.72 41.75 1ujl s GLY 35 CO 0.00 1.32 1.30 -0.56 0.00 0.00 0.00 173.10 175.16 1ujl h PRO 36 N 6.79 0.46 -0.69 2.90 0.13 -1.98 -2.37 132.00 137.23 1ujl h PRO 36 Ca -0.04 -0.29 0.10 0.00 -0.87 0.00 0.00 66.00 64.89 1ujl h PRO 36 Cb 0.93 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.02 1ujl h PRO 36 CO 0.56 0.89 0.33 0.77 -0.23 0.00 0.00 178.00 180.32 1ujl h SER 37 N 0.08 0.41 0.52 1.44 0.02 -1.98 -0.72 113.55 113.32 1ujl h SER 37 Ca 0.01 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1ujl h SER 37 Cb 0.87 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.42 1ujl h SER 37 CO 0.06 0.23 -0.25 0.40 -1.14 0.00 0.00 176.83 176.13 1ujl h ILE 38 N 0.56 0.10 -1.12 3.27 5.03 -1.98 -0.25 117.51 123.11 1ujl h ILE 38 Ca 0.35 -0.49 0.33 0.00 -0.12 0.00 0.00 64.86 64.92 1ujl h ILE 38 Cb 0.39 0.16 -0.04 0.00 -3.03 0.00 0.00 36.82 34.29 1ujl h ILE 38 CO -0.28 0.02 0.86 0.50 -0.68 0.00 0.00 178.15 178.56 1ujl h LYS 39 N -1.15 0.00 0.00 2.37 3.11 -1.28 0.99 116.57 120.62 1ujl h LYS 39 Ca -0.07 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.61 1ujl h LYS 39 Cb 0.57 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 1ujl h LYS 39 CO 0.12 0.00 -1.27 0.22 -2.81 0.00 0.00 179.45 175.70 1ujl h ASP 40 N 0.00 0.00 1.14 4.20 3.58 -1.07 -3.28 116.42 120.99 1ujl h ASP 40 Ca 0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1ujl h ASP 40 Cb 2.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.29 1ujl h ASP 40 CO -0.01 0.58 0.00 0.50 -2.88 0.00 0.00 179.24 177.43 1ujl h LYS 41 N 0.00 0.00 0.00 0.28 3.11 0.29 -3.51 116.57 116.74 1ujl h LYS 41 Ca -0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1ujl h LYS 41 Cb 1.56 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.79 1ujl h LYS 41 CO 0.05 0.00 0.00 0.66 -2.81 0.00 0.00 179.45 177.35