#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 3.39 0.01 0.00 -1.09 -1.26 -5.07 121.20 117.18 1ujl s ILE 2 Ca 0.00 -1.82 0.00 0.00 -2.23 0.00 0.00 60.65 56.60 1ujl s ILE 2 Cb 0.00 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1ujl s ILE 2 CO 0.00 -0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.03 1ujl n GLY 3 N -0.61 0.02 0.00 6.18 0.00 -1.26 -4.97 105.19 104.56 1ujl n GLY 3 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.55 1.54 -3.55 1.61 4.13 -1.26 -5.06 115.26 110.11 1ujl n ASN 4 Ca 0.00 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.95 1ujl n ASN 4 Cb 0.00 0.94 0.00 0.00 -1.54 0.00 0.00 39.78 39.18 1ujl n ASN 4 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1ujl n MET 5 N -1.09 0.59 0.00 3.52 1.56 -1.26 -4.10 117.12 116.34 1ujl n MET 5 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1ujl n MET 5 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1ujl n MET 5 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1ujl n GLU 6 N -0.43 0.00 -2.36 2.12 2.13 -1.26 -4.79 120.64 116.06 1ujl n GLU 6 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1ujl n GLU 6 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1ujl n GLU 6 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1ujl s GLN 7 N 0.00 4.48 -0.20 5.31 2.00 -1.26 -4.99 119.66 125.00 1ujl s GLN 7 Ca 0.00 1.89 -0.29 0.00 -2.00 0.00 0.00 55.36 54.96 1ujl s GLN 7 Cb 0.00 -3.24 0.00 0.00 0.80 0.00 0.00 33.01 30.57 1ujl s GLN 7 CO 0.00 -0.12 1.11 -1.25 -0.50 0.00 0.00 175.29 174.53 1ujl s PRO 8 N -0.14 4.26 0.00 1.67 0.04 -1.26 -4.91 135.00 134.65 1ujl s PRO 8 Ca 0.54 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ujl s PRO 8 Cb -0.33 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1ujl s PRO 8 CO 0.36 -0.64 0.00 0.72 0.04 0.00 0.00 177.00 177.48 1ujl n HIS 9 N 6.34 0.00 0.00 0.56 8.25 -1.26 -5.08 115.22 124.04 1ujl n HIS 9 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1ujl n HIS 9 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1ujl n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ujl n MET 10 N -1.67 0.00 -2.57 -0.41 0.00 -1.26 -5.07 117.12 106.14 1ujl n MET 10 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.68 1ujl n MET 10 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 1ujl n MET 10 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1ujl n ASP 11 N 0.00 -5.03 -4.71 3.17 2.03 -1.26 -5.07 116.55 105.68 1ujl n ASP 11 Ca 0.00 1.29 -0.31 0.00 0.52 0.00 0.00 54.79 56.29 1ujl n ASP 11 Cb 0.00 -4.97 -0.09 0.00 -0.72 0.00 0.00 41.12 35.35 1ujl n ASP 11 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ujl s SER 12 N -1.19 4.04 -0.43 1.67 1.04 -1.26 -5.11 113.70 112.46 1ujl s SER 12 Ca -0.09 -1.54 0.06 0.00 0.48 0.00 0.00 55.95 54.85 1ujl s SER 12 Cb 0.01 0.18 0.21 0.00 0.10 0.00 0.00 66.02 66.51 1ujl s SER 12 CO 0.73 -0.70 0.54 -1.14 0.98 0.00 0.00 173.24 173.64 1ujl n ARG 13 N -1.16 0.49 -1.12 4.02 3.00 -1.26 -5.10 116.66 115.53 1ujl n ARG 13 Ca -0.14 -2.79 -0.31 0.00 -0.00 0.00 0.00 57.85 54.61 1ujl n ARG 13 Cb 0.67 -1.47 0.11 0.00 0.00 0.00 0.00 32.46 31.77 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 -0.09 2.85 0.00 5.15 2.07 -1.26 -4.80 121.20 125.12 1ujl s ILE 14 Ca 0.33 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.86 1ujl s ILE 14 Cb 0.10 -2.64 0.00 0.00 0.13 0.00 0.00 42.46 40.05 1ujl s ILE 14 CO -0.15 -0.35 0.00 0.61 -1.91 0.00 0.00 174.94 173.14 1ujl n GLY 15 N -0.61 -0.40 0.27 1.50 0.00 -1.26 -5.02 105.19 99.68 1ujl n GLY 15 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 0.36 0.00 1.61 5.08 -2.01 1.19 115.95 122.19 1ujl h TRP 16 Ca 0.00 0.04 -0.01 0.00 1.08 0.00 0.00 58.89 60.00 1ujl h TRP 16 Cb 0.00 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.11 1ujl h TRP 16 CO 0.00 -0.04 -0.04 -0.07 -1.28 0.00 0.00 178.44 177.01 1ujl h LEU 17 N 0.32 0.00 -2.88 0.11 3.38 -2.01 -0.58 115.31 113.65 1ujl h LEU 17 Ca 0.42 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.33 1ujl h LEU 17 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1ujl h LEU 17 CO -0.48 0.04 0.09 1.41 0.09 0.00 0.00 178.44 179.59 1ujl n HIS 18 N -3.28 1.57 0.00 1.13 8.25 0.41 -3.79 115.22 119.51 1ujl n HIS 18 Ca -0.02 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1ujl n HIS 18 Cb 0.20 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 0.23 0.55 0.23 0.41 5.15 -0.27 -4.79 115.26 116.77 1ujl n ASN 19 Ca 0.23 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.28 1ujl n ASN 19 Cb 0.98 0.00 0.55 0.00 -0.53 0.00 0.00 39.78 40.79 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 -1.84 1.20 8.10 -1.60 -2.20 115.31 118.97 1ujl h LEU 20 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1ujl h LEU 20 Cb 0.48 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1ujl h LEU 20 CO 0.00 0.15 -0.06 1.23 -4.11 0.00 0.00 178.44 175.65 1ujl h GLY 21 N 0.48 0.03 0.00 0.17 0.00 -1.84 -0.39 103.07 101.52 1ujl h GLY 21 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1ujl h GLY 21 CO 0.02 0.01 -0.76 1.34 0.00 0.00 0.00 176.54 177.15 1ujl n ASP 22 N -4.46 1.83 -0.08 0.19 2.03 -0.88 -4.32 116.55 110.88 1ujl n ASP 22 Ca -0.03 0.56 0.20 0.00 0.52 0.00 0.00 54.79 56.05 1ujl n ASP 22 Cb 0.15 -0.87 0.64 0.00 -0.72 0.00 0.00 41.12 40.31 1ujl n ASP 22 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1ujl h GLN 23 N -1.00 0.12 -0.41 -0.67 3.07 -1.48 -1.74 115.11 113.00 1ujl h GLN 23 Ca -0.08 -0.01 0.07 0.00 0.09 0.00 0.00 58.65 58.72 1ujl h GLN 23 Cb 0.74 -0.03 -0.06 0.00 0.08 0.00 0.00 27.48 28.21 1ujl h GLN 23 CO -0.05 0.08 0.05 0.97 0.09 0.00 0.00 178.83 179.96 1ujl h ILE 24 N 0.12 0.74 -4.52 1.86 2.10 -1.25 -3.48 117.51 113.08 1ujl h ILE 24 Ca 0.31 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 66.20 1ujl h ILE 24 Cb 1.08 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 1ujl h ILE 24 CO -0.04 0.03 -0.97 0.61 -1.08 0.00 0.00 178.15 176.70 1ujl n GLY 25 N -1.26 -5.61 3.52 8.18 0.00 -0.66 -4.69 105.19 104.66 1ujl n GLY 25 Ca 0.03 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 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 1.87 1.24 0.19 1.61 2.85 -1.26 -4.85 118.16 119.81 1ujl n LYS 26 Ca 0.00 0.28 -0.15 0.00 -1.05 0.00 0.00 58.31 57.39 1ujl n LYS 26 Cb 0.00 -2.83 -0.08 0.00 -0.65 0.00 0.00 35.03 31.47 1ujl n LYS 26 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1ujl h PRO 27 N 14.70 -0.41 0.00 -1.58 0.11 -2.02 -3.38 132.00 139.41 1ujl h PRO 27 Ca -0.29 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.72 1ujl h PRO 27 Cb 1.29 0.09 -0.25 0.00 0.11 0.00 0.00 31.00 32.24 1ujl h PRO 27 CO 1.06 -0.26 -0.70 2.48 -0.21 0.00 0.00 178.00 180.37 1ujl n TYR 28 N -5.26 0.00 -4.06 0.65 0.18 -1.26 -5.01 117.16 102.40 1ujl n TYR 28 Ca -0.10 -0.41 -0.27 0.00 1.88 0.00 0.00 57.90 59.00 1ujl n TYR 28 Cb 0.20 0.07 -0.04 0.00 -0.38 0.00 0.00 39.34 39.18 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 0.27 0.05 -2.57 9.48 5.15 -1.26 -3.87 115.26 122.51 1ujl n ASN 29 Ca -0.05 -1.08 -0.03 0.00 -0.60 0.00 0.00 54.58 52.82 1ujl n ASN 29 Cb 0.93 -2.64 -0.03 0.00 -0.53 0.00 0.00 39.78 37.51 1ujl n ASN 29 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ujl n SER 30 N -2.96 -3.57 0.13 1.20 2.88 -1.26 -5.03 113.62 105.01 1ujl n SER 30 Ca -0.32 1.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1ujl n SER 30 Cb 0.69 -4.63 0.00 0.00 -0.75 0.00 0.00 64.21 59.52 1ujl n SER 30 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujl n SER 31 N 1.88 -0.22 -2.26 -3.46 7.64 -1.25 -4.91 113.62 111.03 1ujl n SER 31 Ca -0.25 0.44 -0.32 0.00 1.01 0.00 0.00 58.87 59.75 1ujl n SER 31 Cb 0.38 0.41 0.06 0.00 -1.01 0.00 0.00 64.21 64.06 1ujl n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujl n GLY 32 N 1.45 6.01 3.64 0.23 0.00 -1.26 -5.02 105.19 110.24 1ujl n GLY 32 Ca 0.00 -2.40 -0.29 0.00 0.00 0.00 0.00 46.02 43.33 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 -3.78 1.77 0.00 0.99 0.20 -1.26 -4.82 118.68 111.78 1ujl s LEU 33 Ca 0.61 1.49 0.00 0.00 0.69 0.00 0.00 54.13 56.93 1ujl s LEU 33 Cb 0.48 -3.71 0.00 0.00 -0.43 0.00 0.00 46.19 42.53 1ujl s LEU 33 CO -0.00 -3.23 0.00 0.61 -0.29 0.00 0.00 176.35 173.43 1ujl n GLY 34 N -0.47 0.55 2.66 7.98 0.00 -1.26 -4.88 105.19 109.76 1ujl n GLY 34 Ca 0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 -1.21 0.25 -0.02 0.00 -1.26 -5.03 105.19 97.91 1ujl n GLY 35 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 1.57 0.86 -0.78 1.61 0.13 -1.96 -2.40 132.00 131.03 1ujl h PRO 36 Ca -0.48 -0.38 0.08 0.00 -0.87 0.00 0.00 66.00 64.35 1ujl h PRO 36 Cb 1.23 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1ujl h PRO 36 CO -0.13 1.02 0.45 0.77 -0.23 0.00 0.00 178.00 179.89 1ujl h SER 37 N 0.68 0.66 0.55 1.44 0.02 -1.98 -1.55 113.55 113.37 1ujl h SER 37 Ca 0.09 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1ujl h SER 37 Cb 0.77 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.22 1ujl h SER 37 CO 0.06 0.40 -0.26 0.40 -1.14 0.00 0.00 176.83 176.28 1ujl h ILE 38 N 0.78 0.11 -1.19 3.27 2.04 -1.96 -0.23 117.51 120.33 1ujl h ILE 38 Ca 0.37 -0.46 0.34 0.00 1.00 0.00 0.00 64.86 66.11 1ujl h ILE 38 Cb 0.29 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1ujl h ILE 38 CO -0.22 0.02 0.93 0.11 0.00 0.00 0.00 178.15 178.99 1ujl h LYS 39 N -1.15 0.00 0.00 2.37 1.57 -1.29 1.06 116.57 119.13 1ujl h LYS 39 Ca -0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1ujl h LYS 39 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1ujl h LYS 39 CO 0.12 0.00 -1.38 -0.25 -0.57 0.00 0.00 179.45 177.37 1ujl n ASP 40 N -3.98 0.83 0.19 0.86 8.00 -0.60 -3.79 116.55 118.07 1ujl n ASP 40 Ca 0.26 0.36 0.14 0.00 0.71 0.00 0.00 54.79 56.25 1ujl n ASP 40 Cb 1.31 0.25 0.48 0.00 -0.02 0.00 0.00 41.12 43.13 1ujl n ASP 40 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ujl h LYS 41 N 0.00 0.00 0.00 -1.24 1.63 0.30 -3.51 116.57 113.75 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 1.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.13 1ujl h LYS 41 CO 0.04 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 176.70