#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ro3 n GLU 3 N -2.45 0.80 -1.49 0.00 1.02 -1.26 -4.95 120.64 112.31 1ro3 n GLU 3 Ca 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.35 1ro3 n GLU 3 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.35 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ro3 n SER 4 N -0.52 -1.06 -4.05 1.62 2.88 -1.26 -5.08 113.62 106.14 1ro3 n SER 4 Ca -0.11 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.18 1ro3 n SER 4 Cb 0.86 -0.32 -0.16 0.00 -0.75 0.00 0.00 64.21 63.84 1ro3 n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ro3 s GLY 5 N -2.64 0.84 0.38 0.46 0.00 -1.26 -4.69 107.32 100.42 1ro3 s GLY 5 Ca 0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 44.72 43.98 1ro3 s GLY 5 CO 0.00 0.01 1.06 2.56 0.00 0.00 0.00 173.10 176.73 1ro3 s PRO 6 N 0.54 4.22 0.00 2.90 0.04 -1.20 -2.76 135.00 138.74 1ro3 s PRO 6 Ca -0.13 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1ro3 s PRO 6 Cb -0.15 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1ro3 s PRO 6 CO 0.04 -0.10 0.00 0.00 0.04 0.00 0.00 177.00 176.97 1ro3 h ARG 9 N 0.00 0.00 0.00 0.00 -0.00 -1.73 -3.25 114.38 109.40 1ro3 h ARG 9 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1ro3 h ARG 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1ro3 h ARG 9 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.97 180.24 1ro3 n ASN 10 N -3.31 0.00 0.00 7.04 0.23 -1.25 -4.56 115.26 113.41 1ro3 n ASN 10 Ca 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 1ro3 n ASN 10 Cb 1.44 0.10 0.00 0.00 -2.08 0.00 0.00 39.78 39.24 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ro3 n LYS 12 N 0.00 0.00 0.00 0.00 3.00 -1.26 -4.95 118.16 114.95 1ro3 n LYS 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ro3 n LYS 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ro3 n LYS 12 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ro3 n PHE 13 N -0.06 0.00 0.00 5.64 -0.00 -1.17 -4.14 117.46 117.72 1ro3 n PHE 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1ro3 n PHE 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1ro3 n PHE 13 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 1ro3 n LEU 14 N 0.00 0.00 -0.62 -2.13 -0.00 -1.26 -4.80 117.00 108.19 1ro3 n LEU 14 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1ro3 n LEU 14 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1ro3 n LEU 14 CO 0.00 0.00 0.11 2.29 -0.00 0.00 0.00 177.39 179.79 1ro3 n LYS 15 N 0.00 0.00 -2.33 1.47 2.85 -1.26 -4.98 118.16 113.91 1ro3 n LYS 15 Ca 0.00 -0.29 -0.01 0.00 -1.05 0.00 0.00 58.31 56.96 1ro3 n LYS 15 Cb 0.00 0.46 -0.01 0.00 -0.65 0.00 0.00 35.03 34.84 1ro3 n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ro3 n GLU 16 N 0.00 -3.37 0.00 -1.58 1.02 -1.26 -4.82 120.64 110.63 1ro3 n GLU 16 Ca -0.08 2.47 0.00 0.00 -0.02 0.00 0.00 57.16 59.53 1ro3 n GLU 16 Cb 0.37 -3.28 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 1ro3 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ro3 n GLY 17 N 1.93 1.36 2.97 0.62 0.00 -1.26 -5.05 105.19 105.77 1ro3 n GLY 17 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1ro3 n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ro3 n THR 18 N 0.00 4.35 -1.53 2.61 -1.04 -1.26 -4.90 114.28 112.51 1ro3 n THR 18 Ca 0.00 -4.48 -0.46 0.00 -2.04 0.00 0.00 64.05 57.07 1ro3 n THR 18 Cb 0.00 -2.37 -0.02 0.00 -1.82 0.00 0.00 70.33 66.12 1ro3 n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ro3 n ILE 19 N 3.52 1.90 0.00 12.58 3.06 -1.23 0.61 119.36 139.81 1ro3 n ILE 19 Ca 0.39 -0.48 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 1ro3 n ILE 19 Cb 0.37 -0.66 0.00 0.00 0.54 0.00 0.00 39.64 39.89 1ro3 n ILE 19 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ro3 s LYS 21 N 0.00 3.29 -0.66 0.00 1.02 -1.26 -2.22 119.74 119.90 1ro3 s LYS 21 Ca 0.00 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 1ro3 s LYS 21 Cb 0.00 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1ro3 s LYS 21 CO 0.00 0.20 1.80 -2.13 -0.92 0.00 0.00 175.35 174.31 1ro3 n ARG 22 N 3.53 1.51 -0.25 1.68 3.00 2.10 -4.47 116.66 123.75 1ro3 n ARG 22 Ca -0.18 -1.20 -0.05 0.00 -0.00 0.00 0.00 57.85 56.42 1ro3 n ARG 22 Cb 0.53 -2.33 -0.04 0.00 0.00 0.00 0.00 32.46 30.62 1ro3 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ro3 n ALA 23 N 4.45 -0.32 -0.25 5.13 0.00 0.10 0.84 120.51 130.46 1ro3 n ALA 23 Ca 0.32 0.55 0.29 0.00 0.00 0.00 0.00 53.44 54.60 1ro3 n ALA 23 Cb 0.10 -0.13 0.45 0.00 0.00 0.00 0.00 19.45 19.86 1ro3 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ro3 n ARG 24 N -4.81 0.01 0.01 0.00 1.74 -1.26 -3.50 116.66 108.85 1ro3 n ARG 24 Ca 0.02 0.99 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1ro3 n ARG 24 Cb 0.18 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 1ro3 n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ro3 n GLY 25 N -1.70 -0.22 0.00 -0.13 0.00 1.78 -4.93 105.19 99.98 1ro3 n GLY 25 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1ro3 n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ro3 n ASP 26 N -2.54 0.00 -3.52 1.61 -0.08 4.72 -4.96 116.55 111.78 1ro3 n ASP 26 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 1ro3 n ASP 26 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1ro3 n ASP 26 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1ro3 s ASP 27 N 2.00 -0.57 0.00 1.67 -4.77 -1.25 0.54 116.67 114.29 1ro3 s ASP 27 Ca 0.00 0.52 0.00 0.00 -3.30 0.00 0.00 52.55 49.77 1ro3 s ASP 27 Cb 0.00 0.49 0.00 0.00 -1.09 0.00 0.00 42.92 42.32 1ro3 s ASP 27 CO 0.00 -0.60 0.00 0.23 0.70 0.00 0.00 175.17 175.50 1ro3 n MET 28 N 0.64 0.00 0.00 2.11 2.81 -0.94 -4.13 117.12 117.61 1ro3 n MET 28 Ca -0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 1ro3 n MET 28 Cb 0.58 -0.30 0.00 0.00 -0.71 0.00 0.00 33.22 32.80 1ro3 n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ro3 n ASP 29 N -2.36 1.13 -3.30 7.83 9.92 1.05 -4.95 116.55 125.87 1ro3 n ASP 29 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 1ro3 n ASP 29 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1ro3 n ASP 29 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1ro3 s ASP 30 N 1.36 -1.24 0.48 -2.24 -4.77 0.43 -2.28 116.67 108.40 1ro3 s ASP 30 Ca 0.00 1.04 0.04 0.00 -3.30 0.00 0.00 52.55 50.33 1ro3 s ASP 30 Cb 0.00 2.15 -0.03 0.00 -1.09 0.00 0.00 42.92 43.96 1ro3 s ASP 30 CO 0.00 -0.25 0.07 -0.72 0.70 0.00 0.00 175.17 174.97 1ro3 s TYR 31 N 2.85 2.08 -0.36 2.11 1.13 2.65 -4.21 117.35 123.61 1ro3 s TYR 31 Ca 0.13 -0.83 -0.28 0.00 -1.41 0.00 0.00 57.07 54.68 1ro3 s TYR 31 Cb -0.14 -1.73 0.02 0.00 -1.10 0.00 0.00 41.96 39.01 1ro3 s TYR 31 CO -0.20 0.20 1.04 0.00 -2.51 0.00 0.00 175.55 174.07 1ro3 n ASN 33 N 6.99 5.12 -0.14 0.00 6.94 -0.90 -4.67 115.26 128.59 1ro3 n ASN 33 Ca 0.10 -2.86 -0.02 0.00 -0.02 0.00 0.00 54.58 51.79 1ro3 n ASN 33 Cb 0.48 -0.67 -0.01 0.00 -2.36 0.00 0.00 39.78 37.21 1ro3 n ASN 33 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ro3 n GLY 34 N 0.47 0.43 1.20 4.83 0.00 -1.26 -4.69 105.19 106.16 1ro3 n GLY 34 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ro3 n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ro3 n LYS 35 N -1.42 0.00 -4.04 1.61 4.81 -1.26 -4.86 118.16 113.00 1ro3 n LYS 35 Ca -0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.26 1ro3 n LYS 35 Cb 0.25 -0.32 -0.04 0.00 0.02 0.00 0.00 35.03 34.94 1ro3 n LYS 35 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1ro3 n THR 36 N -2.48 0.00 -2.87 3.15 -1.04 -1.23 -4.18 114.28 105.62 1ro3 n THR 36 Ca 0.00 -1.95 -0.14 0.00 -2.04 0.00 0.00 64.05 59.92 1ro3 n THR 36 Cb 0.19 1.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.83 1ro3 n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ro3 n ASP 38 N 0.06 1.40 0.00 0.00 -0.08 -1.26 -3.01 116.55 113.66 1ro3 n ASP 38 Ca 0.17 -2.70 0.00 0.00 -1.51 0.00 0.00 54.79 50.75 1ro3 n ASP 38 Cb 0.74 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.69 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ro3 n PRO 40 N -1.60 2.37 -1.31 0.00 -0.04 -0.80 -1.42 135.00 132.21 1ro3 n PRO 40 Ca 0.00 -2.04 -0.02 0.00 -0.04 0.00 0.00 63.50 61.40 1ro3 n PRO 40 Cb 0.05 -2.91 0.01 0.00 -0.04 0.00 0.00 33.50 30.61 1ro3 n PRO 40 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ro3 n ARG 41 N 5.61 0.27 -2.84 0.54 0.63 -1.26 -2.11 116.66 117.50 1ro3 n ARG 41 Ca 0.54 -0.46 -0.32 0.00 -0.92 0.00 0.00 57.85 56.69 1ro3 n ARG 41 Cb 0.31 0.35 -0.02 0.00 0.45 0.00 0.00 32.46 33.56 1ro3 n ARG 41 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ro3 n ASN 42 N -0.30 5.51 -2.01 6.15 2.04 -1.22 -1.82 115.26 123.60 1ro3 n ASN 42 Ca -0.10 -3.69 -0.07 0.00 -0.44 0.00 0.00 54.58 50.29 1ro3 n ASN 42 Cb 0.54 -0.78 -0.10 0.00 -2.53 0.00 0.00 39.78 36.91 1ro3 n ASN 42 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1ro3 n PRO 43 N -0.16 1.33 0.00 -0.53 -0.04 -1.26 -1.28 135.00 133.05 1ro3 n PRO 43 Ca 0.37 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1ro3 n PRO 43 Cb 0.34 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1ro3 n PRO 43 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ro3 n HIS 44 N 2.40 0.00 0.00 0.54 -0.00 -1.26 -4.92 115.22 111.97 1ro3 n HIS 44 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 1ro3 n HIS 44 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.61 1ro3 n HIS 44 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1ro3 n LYS 45 N 0.00 0.00 -1.28 -0.41 4.76 -1.26 -3.60 118.16 116.37 1ro3 n LYS 45 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1ro3 n LYS 45 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1ro3 n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ro3 n GLY 46 N -0.29 -0.15 0.00 0.72 0.00 -1.26 -4.99 105.19 99.23 1ro3 n GLY 46 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ro3 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ro3 n PRO 47 N -0.24 0.00 -0.08 1.61 -0.04 -1.20 -5.08 135.00 129.96 1ro3 n PRO 47 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1ro3 n PRO 47 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1ro3 n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ro3 n ALA 48 N -3.00 -2.52 -1.11 0.55 0.00 -0.40 -4.95 120.51 109.07 1ro3 n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ro3 n ALA 48 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91