#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 3.86 -0.64 0.00 0.00 1.02 -1.26 -4.62 120.64 119.00 1ro3 n GLU 3 Ca 0.39 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1ro3 n GLU 3 Cb 0.06 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.91 0.00 0.00 1.62 2.88 0.15 -5.12 113.62 112.25 1ro3 n SER 4 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1ro3 n SER 4 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1ro3 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ro3 n GLY 5 N 0.00 4.40 3.81 0.46 0.00 -1.11 -2.12 105.19 110.63 1ro3 n GLY 5 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1ro3 n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ro3 s PRO 6 N -3.08 2.54 0.00 1.61 0.04 -1.24 -0.75 135.00 134.12 1ro3 s PRO 6 Ca 0.00 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1ro3 s PRO 6 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ro3 s PRO 6 CO 0.00 -1.34 0.00 0.00 0.04 0.00 0.00 177.00 175.70 1ro3 h ARG 9 N 0.00 0.00 0.00 0.00 -0.00 -1.76 -3.38 114.38 109.24 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 -2.75 0.00 -0.87 7.04 2.04 -1.26 -4.87 115.26 114.59 1ro3 n ASN 10 Ca -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.13 1ro3 n ASN 10 Cb 0.16 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ro3 n LYS 12 N -0.64 0.00 -1.54 0.00 3.00 -1.26 -5.02 118.16 112.69 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 0.29 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.32 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 0.00 -4.25 0.00 5.64 7.35 -1.26 -4.90 117.46 120.05 1ro3 n PHE 13 Ca 0.00 2.28 0.00 0.00 -0.76 0.00 0.00 57.45 58.97 1ro3 n PHE 13 Cb 0.00 -3.50 0.00 0.00 0.35 0.00 0.00 39.48 36.33 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 -1.83 0.00 0.00 -2.13 -0.00 -1.26 -4.82 117.00 106.95 1ro3 n LEU 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ro3 n LEU 14 Cb 0.26 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1ro3 n LEU 14 CO 0.00 -0.09 0.00 2.29 -0.00 0.00 0.00 177.39 179.59 1ro3 n LYS 15 N -1.57 0.00 0.00 1.96 2.85 -1.26 -5.08 118.16 115.05 1ro3 n LYS 15 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ro3 n LYS 15 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 0.00 0.00 -1.58 1.02 -1.26 -4.48 120.64 114.34 1ro3 n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ro3 n GLU 16 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.89 0.91 0.15 0.62 0.00 -1.26 -5.02 105.19 101.48 1ro3 n GLY 17 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -0.79 2.61 -1.04 -1.26 -4.91 114.28 108.90 1ro3 n THR 18 Ca 0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1ro3 n THR 18 Cb 0.00 0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 -0.97 0.00 0.00 12.58 3.06 -1.01 0.30 119.36 133.33 1ro3 n ILE 19 Ca 0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 1ro3 n ILE 19 Cb 0.34 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.52 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 -0.02 1.27 0.00 0.00 1.02 -1.25 -2.62 119.74 118.13 1ro3 s LYS 21 Ca 0.00 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 1ro3 s LYS 21 Cb 0.00 -2.21 -0.16 0.00 -0.52 0.00 0.00 37.83 34.94 1ro3 s LYS 21 CO 0.00 -0.54 1.05 -2.13 -0.92 0.00 0.00 175.35 172.81 1ro3 n ARG 22 N 4.86 0.00 -0.26 1.68 3.00 0.32 -4.45 116.66 121.80 1ro3 n ARG 22 Ca -0.11 -0.58 -0.01 0.00 -0.00 0.00 0.00 57.85 57.15 1ro3 n ARG 22 Cb 0.46 -1.95 0.05 0.00 0.00 0.00 0.00 32.46 31.03 1ro3 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ro3 h ALA 23 N 8.33 0.22 -1.61 5.13 0.00 0.08 30.11 119.26 161.51 1ro3 h ALA 23 Ca 0.11 0.24 0.47 0.00 0.00 0.00 0.00 54.91 55.73 1ro3 h ALA 23 Cb 0.36 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1ro3 h ALA 23 CO 1.24 -0.56 1.21 0.54 0.00 0.00 0.00 179.25 181.69 1ro3 n ARG 24 N -5.48 0.00 0.00 0.00 1.74 -1.26 -3.04 116.66 108.62 1ro3 n ARG 24 Ca 0.08 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1ro3 n ARG 24 Cb 0.38 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 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 -1.77 0.04 0.00 -0.13 0.00 0.36 -4.87 105.19 98.81 1ro3 n GLY 25 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.37 0.00 -3.62 1.61 3.85 8.93 -5.02 116.55 120.94 1ro3 n ASP 26 Ca 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 53.96 1ro3 n ASP 26 Cb 0.00 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.70 1ro3 n ASP 26 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 1ro3 s ASP 27 N 2.00 -0.57 0.00 -1.12 1.47 -1.18 0.12 116.67 117.39 1ro3 s ASP 27 Ca 0.00 1.02 0.00 0.00 1.18 0.00 0.00 52.55 54.75 1ro3 s ASP 27 Cb 0.00 1.01 0.00 0.00 -0.34 0.00 0.00 42.92 43.59 1ro3 s ASP 27 CO 0.00 -0.25 0.00 0.23 0.68 0.00 0.00 175.17 175.83 1ro3 n MET 28 N 2.12 0.00 0.00 2.11 2.81 -1.22 -4.33 117.12 118.61 1ro3 n MET 28 Ca -0.13 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 1ro3 n MET 28 Cb 0.56 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.59 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 -2.44 1.64 -3.69 7.83 8.00 0.88 -4.99 116.55 123.79 1ro3 n ASP 29 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1ro3 n ASP 29 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1ro3 n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ro3 s ASP 30 N 1.93 -0.30 -0.00 -2.24 1.11 0.27 -1.66 116.67 115.78 1ro3 s ASP 30 Ca 0.00 0.81 0.06 0.00 0.18 0.00 0.00 52.55 53.60 1ro3 s ASP 30 Cb 0.00 0.83 -0.03 0.00 1.07 0.00 0.00 42.92 44.79 1ro3 s ASP 30 CO 0.00 -0.20 -0.17 -0.72 1.18 0.00 0.00 175.17 175.26 1ro3 s TYR 31 N 1.79 2.61 -0.74 4.23 -0.85 -1.26 -4.13 117.35 119.00 1ro3 s TYR 31 Ca -0.06 -0.22 -0.26 0.00 -0.52 0.00 0.00 57.07 56.01 1ro3 s TYR 31 Cb -0.10 -1.54 -0.05 0.00 0.38 0.00 0.00 41.96 40.65 1ro3 s TYR 31 CO -0.12 0.21 2.00 0.00 -1.52 0.00 0.00 175.55 176.12 1ro3 n ASN 33 N 14.14 3.76 0.00 0.00 0.23 -1.20 -4.60 115.26 127.60 1ro3 n ASN 33 Ca 0.33 -2.05 0.00 0.00 -0.53 0.00 0.00 54.58 52.33 1ro3 n ASN 33 Cb 0.49 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 1ro3 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ro3 n GLY 34 N 1.53 0.89 0.00 4.83 0.00 -1.26 -5.04 105.19 106.14 1ro3 n GLY 34 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.20 0.00 -0.45 1.61 3.00 -1.26 -4.82 118.16 114.04 1ro3 n LYS 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ro3 n LYS 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ro3 n LYS 35 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1ro3 n THR 36 N 0.00 0.00 -3.25 3.15 5.66 -1.26 -3.67 114.28 114.91 1ro3 n THR 36 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1ro3 n THR 36 Cb 0.00 0.32 0.08 0.00 -1.55 0.00 0.00 70.33 69.18 1ro3 n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ro3 n ASP 38 N -2.95 3.39 -0.32 0.00 -0.08 -1.26 -4.27 116.55 111.05 1ro3 n ASP 38 Ca -0.22 -3.33 -0.01 0.00 -1.51 0.00 0.00 54.79 49.71 1ro3 n ASP 38 Cb 0.65 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.61 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 -0.92 2.76 -2.66 0.00 -0.04 -1.18 -1.85 135.00 131.11 1ro3 n PRO 40 Ca -0.01 -1.79 -0.03 0.00 -0.04 0.00 0.00 63.50 61.64 1ro3 n PRO 40 Cb 0.51 -2.61 0.11 0.00 -0.04 0.00 0.00 33.50 31.46 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 4.01 0.12 -2.95 0.54 0.63 -1.26 -3.21 116.66 114.55 1ro3 n ARG 41 Ca 0.59 -0.66 -0.18 0.00 -0.92 0.00 0.00 57.85 56.68 1ro3 n ARG 41 Cb 0.18 -0.13 -0.01 0.00 0.45 0.00 0.00 32.46 32.95 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 0.61 1.94 -2.13 6.15 2.04 -1.25 0.32 115.26 122.93 1ro3 n ASN 42 Ca -0.05 -3.11 -0.09 0.00 -0.44 0.00 0.00 54.58 50.88 1ro3 n ASN 42 Cb 0.76 -0.57 -0.13 0.00 -2.53 0.00 0.00 39.78 37.31 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 1.51 0.00 -0.53 -0.04 -1.26 -1.96 135.00 132.75 1ro3 n PRO 43 Ca 0.23 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1ro3 n PRO 43 Cb 0.66 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 2.64 0.00 0.00 0.54 -0.00 -1.26 -4.94 115.22 112.20 1ro3 n HIS 44 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 1ro3 n HIS 44 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 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 -0.81 -0.41 4.76 -1.26 -3.92 118.16 116.52 1ro3 n LYS 45 Ca 0.00 0.05 -0.01 0.00 -2.87 0.00 0.00 58.31 55.47 1ro3 n LYS 45 Cb 0.00 -0.09 -0.02 0.00 -1.84 0.00 0.00 35.03 33.08 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 -0.61 0.76 0.00 0.72 0.00 -1.26 -4.95 105.19 99.84 1ro3 n GLY 46 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.08 0.88 0.00 1.61 -0.04 -1.15 -5.07 135.00 131.31 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 0.70 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.16 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 0.00 -0.86 0.55 0.00 -0.83 -4.61 120.51 111.75 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91