#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 -3.60 1.16 0.00 0.00 4.71 -1.26 -4.94 120.64 116.71 1ro3 n GLU 3 Ca -0.06 -2.52 0.00 0.00 -0.01 0.00 0.00 57.16 54.56 1ro3 n GLU 3 Cb 0.26 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 1ro3 n GLU 3 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1ro3 n SER 4 N -1.18 0.00 -4.78 1.62 3.41 -1.26 -4.94 113.62 106.49 1ro3 n SER 4 Ca 0.15 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 1ro3 n SER 4 Cb 0.67 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1ro3 n SER 4 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ro3 s GLY 5 N -1.65 2.48 0.85 5.00 0.00 -1.26 -4.07 107.32 108.66 1ro3 s GLY 5 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.45 1ro3 s GLY 5 CO 0.00 0.51 1.11 2.56 0.00 0.00 0.00 173.10 177.29 1ro3 s PRO 6 N -0.27 1.67 -0.05 2.90 0.04 -1.26 -3.63 135.00 134.40 1ro3 s PRO 6 Ca 0.26 0.49 -0.00 0.00 0.04 0.00 0.00 61.00 61.79 1ro3 s PRO 6 Cb -0.16 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ro3 s PRO 6 CO 0.13 -1.88 0.01 0.00 0.04 0.00 0.00 177.00 175.30 1ro3 n ARG 9 N -0.36 -0.52 0.00 0.00 0.00 -1.26 0.55 116.66 115.06 1ro3 n ARG 9 Ca 0.02 0.41 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 1ro3 n ARG 9 Cb 0.44 -0.57 0.00 0.00 0.00 0.00 0.00 32.46 32.33 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ro3 n ASN 10 N 0.75 0.00 -0.70 6.15 3.02 0.54 -1.35 115.26 123.67 1ro3 n ASN 10 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.50 1ro3 n ASN 10 Cb 0.20 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ro3 n LYS 12 N 0.00 0.50 0.00 0.00 4.76 2.20 -5.04 118.16 120.58 1ro3 n LYS 12 Ca -0.12 -1.28 0.00 0.00 -2.87 0.00 0.00 58.31 54.04 1ro3 n LYS 12 Cb 0.44 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1ro3 n LYS 12 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ro3 n PHE 13 N 1.55 0.00 0.00 2.13 7.35 0.23 -4.26 117.46 124.46 1ro3 n PHE 13 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1ro3 n PHE 13 Cb 0.67 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.50 1ro3 n PHE 13 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1ro3 n LEU 14 N 0.00 0.00 -3.16 -2.13 -0.00 -1.26 -4.74 117.00 105.71 1ro3 n LEU 14 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 1ro3 n LEU 14 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ro3 n LEU 14 CO 0.00 0.00 0.12 -1.59 -0.00 0.00 0.00 177.39 175.92 1ro3 s LYS 15 N 0.08 0.63 0.00 1.96 -2.85 -1.26 -5.05 119.74 113.26 1ro3 s LYS 15 Ca 0.00 0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.19 1ro3 s LYS 15 Cb 0.00 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1ro3 s LYS 15 CO 0.00 -1.06 0.00 0.39 0.10 0.00 0.00 175.35 174.78 1ro3 n GLU 16 N 5.00 0.00 0.00 1.78 1.02 -1.26 -3.14 120.64 124.04 1ro3 n GLU 16 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1ro3 n GLU 16 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 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 0.00 0.14 0.00 0.62 0.00 -1.26 -5.11 105.19 99.58 1ro3 n GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ro3 n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ro3 n THR 18 N 0.00 0.00 -3.65 2.61 -2.24 -1.19 -4.79 114.28 105.03 1ro3 n THR 18 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1ro3 n THR 18 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1ro3 n THR 18 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1ro3 s ILE 19 N 0.00 -0.00 0.00 2.28 2.07 -1.13 -4.10 121.20 120.32 1ro3 s ILE 19 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1ro3 s ILE 19 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1ro3 s ILE 19 CO 0.00 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.03 1ro3 s LYS 21 N 0.00 2.11 -0.93 0.00 1.02 -1.26 -4.05 119.74 116.63 1ro3 s LYS 21 Ca 0.00 -0.60 -0.06 0.00 0.02 0.00 0.00 55.97 55.33 1ro3 s LYS 21 Cb 0.00 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.55 1ro3 s LYS 21 CO 0.00 0.13 2.12 -2.13 -0.92 0.00 0.00 175.35 174.55 1ro3 n ARG 22 N 3.56 2.11 -0.21 1.68 3.00 6.72 -4.51 116.66 129.00 1ro3 n ARG 22 Ca -0.21 -1.49 -0.02 0.00 -0.00 0.00 0.00 57.85 56.13 1ro3 n ARG 22 Cb 0.52 -2.47 -0.01 0.00 0.00 0.00 0.00 32.46 30.51 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 4.27 -0.16 -0.11 5.13 0.00 -0.10 0.75 120.51 130.29 1ro3 n ALA 23 Ca 0.45 0.50 0.21 0.00 0.00 0.00 0.00 53.44 54.61 1ro3 n ALA 23 Cb 0.14 -0.18 0.32 0.00 0.00 0.00 0.00 19.45 19.73 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 -4.74 0.02 0.00 0.00 1.74 -1.26 -3.56 116.66 108.86 1ro3 n ARG 24 Ca 0.04 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 1ro3 n ARG 24 Cb 0.19 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 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 -1.59 -0.13 0.00 -0.13 0.00 1.77 -4.96 105.19 100.16 1ro3 n GLY 25 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ro3 n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ro3 n ASP 26 N -1.96 0.00 -3.56 1.61 5.68 3.80 -4.95 116.55 117.17 1ro3 n ASP 26 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.21 1ro3 n ASP 26 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1ro3 n ASP 26 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1ro3 s ASP 27 N 2.00 -0.28 -0.13 -1.12 1.47 -1.24 1.00 116.67 118.38 1ro3 s ASP 27 Ca 0.00 0.13 -0.04 0.00 1.18 0.00 0.00 52.55 53.82 1ro3 s ASP 27 Cb 0.00 0.27 -0.06 0.00 -0.34 0.00 0.00 42.92 42.78 1ro3 s ASP 27 CO 0.00 -0.38 -0.15 0.23 0.68 0.00 0.00 175.17 175.55 1ro3 n MET 28 N 0.17 0.29 0.00 2.11 2.81 -1.25 -4.32 117.12 116.92 1ro3 n MET 28 Ca -0.06 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1ro3 n MET 28 Cb 0.59 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.05 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 -3.35 0.00 -3.13 7.83 8.00 0.92 -4.86 116.55 121.96 1ro3 n ASP 29 Ca -0.24 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.31 1ro3 n ASP 29 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1ro3 n ASP 29 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1ro3 s ASP 30 N 2.00 -0.40 0.18 -2.24 3.84 0.18 -2.77 116.67 117.47 1ro3 s ASP 30 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 52.55 52.59 1ro3 s ASP 30 Cb 0.00 1.21 -0.04 0.00 -1.38 0.00 0.00 42.92 42.71 1ro3 s ASP 30 CO 0.00 -0.07 0.35 -0.72 -0.00 0.00 0.00 175.17 174.72 1ro3 s TYR 31 N 2.90 3.48 0.63 2.11 1.13 -1.26 -4.24 117.35 122.12 1ro3 s TYR 31 Ca 0.27 0.23 -0.07 0.00 -1.41 0.00 0.00 57.07 56.10 1ro3 s TYR 31 Cb -0.01 -1.76 0.10 0.00 -1.10 0.00 0.00 41.96 39.19 1ro3 s TYR 31 CO -0.23 0.44 0.23 0.00 -2.51 0.00 0.00 175.55 173.48 1ro3 n ASN 33 N -0.38 -0.48 -1.04 0.00 6.94 -1.18 -4.36 115.26 114.75 1ro3 n ASN 33 Ca 0.04 -0.97 -0.08 0.00 -0.02 0.00 0.00 54.58 53.54 1ro3 n ASN 33 Cb 0.16 0.15 -0.04 0.00 -2.36 0.00 0.00 39.78 37.69 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 -0.02 0.80 1.21 4.83 0.00 -1.26 -4.46 105.19 106.29 1ro3 n GLY 34 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.26 0.00 -3.80 1.61 0.00 -1.26 -4.92 118.16 108.53 1ro3 n LYS 35 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.19 1ro3 n LYS 35 Cb 0.33 -0.31 -0.00 0.00 0.00 0.00 0.00 35.03 35.04 1ro3 n LYS 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ro3 s THR 36 N -1.83 0.00 -0.64 3.15 2.01 -1.26 -4.52 115.64 112.55 1ro3 s THR 36 Ca 0.00 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.36 1ro3 s THR 36 Cb 0.00 -2.31 0.30 0.00 0.01 0.00 0.00 72.50 70.50 1ro3 s THR 36 CO 0.00 0.00 0.92 0.00 -0.69 0.00 0.00 174.62 174.85 1ro3 n ASP 38 N 0.28 -0.78 -1.84 0.00 2.03 -1.26 0.20 116.55 115.18 1ro3 n ASP 38 Ca 0.31 -2.53 -0.15 0.00 0.52 0.00 0.00 54.79 52.94 1ro3 n ASP 38 Cb 0.39 -0.23 0.01 0.00 -0.72 0.00 0.00 41.12 40.57 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ro3 n PRO 40 N -2.63 2.00 -2.67 0.00 -0.04 -0.74 -1.55 135.00 129.36 1ro3 n PRO 40 Ca -0.13 -1.16 -0.05 0.00 -0.04 0.00 0.00 63.50 62.12 1ro3 n PRO 40 Cb 0.61 -2.16 0.08 0.00 -0.04 0.00 0.00 33.50 31.99 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 3.16 0.18 -2.71 0.54 0.63 -1.19 -3.98 116.66 113.29 1ro3 n ARG 41 Ca 0.43 -0.77 -0.11 0.00 -0.92 0.00 0.00 57.85 56.48 1ro3 n ARG 41 Cb 0.48 -0.28 0.02 0.00 0.45 0.00 0.00 32.46 33.12 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 1.27 1.54 -3.18 6.15 2.04 -1.25 0.30 115.26 122.13 1ro3 n ASN 42 Ca 0.00 -2.79 -0.28 0.00 -0.44 0.00 0.00 54.58 51.07 1ro3 n ASN 42 Cb 0.71 -0.54 -0.03 0.00 -2.53 0.00 0.00 39.78 37.40 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 -0.04 2.72 0.00 -0.53 -0.04 -1.24 0.79 135.00 136.65 1ro3 n PRO 43 Ca 0.12 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1ro3 n PRO 43 Cb 0.79 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.88 0.00 0.00 0.54 -0.00 -1.25 -4.90 115.22 113.49 1ro3 n HIS 44 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.30 1ro3 n HIS 44 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 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 0.00 -0.41 4.76 -1.26 -3.48 118.16 117.77 1ro3 n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ro3 n LYS 45 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -0.86 0.54 0.56 0.72 0.00 -1.26 -5.00 105.19 99.89 1ro3 n GLY 46 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -0.75 0.00 1.61 -0.04 -1.03 -5.00 135.00 129.79 1ro3 n PRO 47 Ca 0.00 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1ro3 n PRO 47 Cb 0.37 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 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 -3.20 0.00 0.02 0.55 0.00 0.24 -3.72 120.51 114.39 1ro3 n ALA 48 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ro3 n ALA 48 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91