#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 0.00 0.00 0.00 0.00 4.07 -1.26 -4.94 120.64 118.51 1ro3 n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ro3 n GLU 3 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ro3 n SER 4 N 0.00 0.00 -4.83 4.31 2.88 -1.26 -5.10 113.62 109.61 1ro3 n SER 4 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1ro3 n SER 4 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.00 2.35 0.63 0.46 0.00 -1.26 -3.77 107.32 105.73 1ro3 s GLY 5 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.82 1ro3 s GLY 5 CO 0.00 0.48 1.05 2.56 0.00 0.00 0.00 173.10 177.20 1ro3 s PRO 6 N -3.14 3.21 0.00 2.90 0.04 -1.18 -0.32 135.00 136.51 1ro3 s PRO 6 Ca 0.58 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1ro3 s PRO 6 Cb -0.10 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1ro3 s PRO 6 CO 0.16 -0.89 0.00 0.00 0.04 0.00 0.00 177.00 176.31 1ro3 n ARG 9 N 0.00 0.02 0.00 0.00 3.00 -1.26 -3.81 116.66 114.62 1ro3 n ARG 9 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 57.85 58.27 1ro3 n ARG 9 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 30.77 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1ro3 n ASN 10 N -1.54 0.00 0.00 0.55 0.23 -1.26 -4.70 115.26 108.55 1ro3 n ASN 10 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ro3 n ASN 10 Cb 0.12 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 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 -1.09 0.00 4.76 -1.26 -5.01 118.16 115.55 1ro3 n LYS 12 Ca 0.00 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 1ro3 n LYS 12 Cb 0.00 -0.25 -0.03 0.00 -1.84 0.00 0.00 35.03 32.90 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 -1.00 -2.97 0.00 2.13 7.35 -1.26 -4.86 117.46 116.85 1ro3 n PHE 13 Ca 0.00 1.62 0.00 0.00 -0.76 0.00 0.00 57.45 58.31 1ro3 n PHE 13 Cb 0.00 -2.66 0.00 0.00 0.35 0.00 0.00 39.48 37.17 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 -3.00 0.00 -2.73 -2.13 -0.00 -1.26 -4.74 117.00 103.13 1ro3 n LEU 14 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.93 1ro3 n LEU 14 Cb 0.42 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.87 1ro3 n LEU 14 CO 0.01 0.00 0.25 2.29 -0.00 0.00 0.00 177.39 179.95 1ro3 n LYS 15 N 0.00 0.41 0.00 1.96 2.85 -1.26 -5.08 118.16 117.04 1ro3 n LYS 15 Ca 0.00 -1.59 0.00 0.00 -1.05 0.00 0.00 58.31 55.67 1ro3 n LYS 15 Cb 0.00 -0.95 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 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 2.67 0.00 0.00 -1.58 1.02 -1.26 -4.49 120.64 117.00 1ro3 n GLU 16 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1ro3 n GLU 16 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 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 1.29 -0.46 0.11 0.62 0.00 -1.26 -4.99 105.19 100.50 1ro3 n GLY 17 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.94 -0.63 2.61 -1.04 -1.26 -4.82 114.28 110.07 1ro3 n THR 18 Ca 0.00 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1ro3 n THR 18 Cb 0.00 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 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 -2.10 0.00 0.00 12.58 0.00 -1.24 0.27 119.36 128.87 1ro3 n ILE 19 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.77 1ro3 n ILE 19 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.82 1ro3 n ILE 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ro3 s LYS 21 N 0.00 3.31 -0.49 0.00 1.02 -1.26 -2.63 119.74 119.69 1ro3 s LYS 21 Ca 0.00 -0.71 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 1ro3 s LYS 21 Cb 0.00 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1ro3 s LYS 21 CO 0.00 0.11 1.62 -2.13 -0.92 0.00 0.00 175.35 174.03 1ro3 n ARG 22 N 3.81 1.16 -0.28 1.68 3.00 1.84 -4.49 116.66 123.37 1ro3 n ARG 22 Ca -0.18 -1.00 0.13 0.00 -0.00 0.00 0.00 57.85 56.79 1ro3 n ARG 22 Cb 0.52 -2.22 0.25 0.00 0.00 0.00 0.00 32.46 31.01 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 0.44 0.19 5.13 0.00 0.97 0.87 120.51 132.55 1ro3 n ALA 23 Ca 0.25 0.87 0.06 0.00 0.00 0.00 0.00 53.44 54.61 1ro3 n ALA 23 Cb 0.09 -0.65 0.32 0.00 0.00 0.00 0.00 19.45 19.21 1ro3 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ro3 h ARG 24 N 0.00 0.00 0.00 0.00 3.08 -1.86 -3.33 114.38 112.27 1ro3 h ARG 24 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1ro3 h ARG 24 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1ro3 h ARG 24 CO -0.75 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.56 1ro3 n GLY 25 N -1.27 0.21 0.00 0.04 0.00 1.79 -4.95 105.19 101.00 1ro3 n GLY 25 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.58 0.00 -3.57 1.61 2.03 5.04 -4.97 116.55 115.10 1ro3 n ASP 26 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1ro3 n ASP 26 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1ro3 n ASP 26 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1ro3 s ASP 27 N 2.00 -0.57 -0.00 1.67 -4.77 -1.24 0.50 116.67 114.25 1ro3 s ASP 27 Ca 0.00 0.78 -0.00 0.00 -3.30 0.00 0.00 52.55 50.03 1ro3 s ASP 27 Cb 0.00 0.68 -0.00 0.00 -1.09 0.00 0.00 42.92 42.51 1ro3 s ASP 27 CO 0.00 -0.42 -0.00 0.23 0.70 0.00 0.00 175.17 175.67 1ro3 n MET 28 N 1.33 0.01 0.00 2.11 2.81 -1.10 -4.20 117.12 118.08 1ro3 n MET 28 Ca -0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 1ro3 n MET 28 Cb 0.57 -0.49 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 -2.53 0.00 -3.36 7.83 8.00 0.75 -5.00 116.55 122.24 1ro3 n ASP 29 Ca -0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1ro3 n ASP 29 Cb 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 1.67 -0.96 0.54 -2.24 1.47 0.38 -2.85 116.67 114.68 1ro3 s ASP 30 Ca 0.00 0.97 0.01 0.00 1.18 0.00 0.00 52.55 54.71 1ro3 s ASP 30 Cb 0.00 1.95 0.01 0.00 -0.34 0.00 0.00 42.92 44.54 1ro3 s ASP 30 CO 0.00 -0.18 0.09 -0.72 0.68 0.00 0.00 175.17 175.04 1ro3 s TYR 31 N 2.78 1.69 -0.37 2.11 1.13 -1.26 -4.05 117.35 119.38 1ro3 s TYR 31 Ca 0.03 -0.98 -0.26 0.00 -1.41 0.00 0.00 57.07 54.46 1ro3 s TYR 31 Cb -0.11 -1.65 0.02 0.00 -1.10 0.00 0.00 41.96 39.12 1ro3 s TYR 31 CO -0.18 0.04 0.92 0.00 -2.51 0.00 0.00 175.55 173.81 1ro3 n ASN 33 N 6.78 2.79 0.00 0.00 6.94 -0.63 -4.62 115.26 126.53 1ro3 n ASN 33 Ca 0.07 -2.27 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 1ro3 n ASN 33 Cb 0.48 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 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 0.65 0.35 0.68 4.83 0.00 -1.26 -4.72 105.19 105.72 1ro3 n GLY 34 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.77 0.00 -3.89 1.61 4.81 -1.26 -4.87 118.16 112.80 1ro3 n LYS 35 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1ro3 n LYS 35 Cb 0.15 -0.53 -0.01 0.00 0.02 0.00 0.00 35.03 34.66 1ro3 n LYS 35 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1ro3 s THR 36 N -1.74 0.00 -0.28 3.15 2.01 -1.25 -4.04 115.64 113.49 1ro3 s THR 36 Ca 0.00 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.87 1ro3 s THR 36 Cb 0.00 -2.46 0.09 0.00 0.01 0.00 0.00 72.50 70.13 1ro3 s THR 36 CO 0.00 0.00 0.05 0.00 -0.69 0.00 0.00 174.62 173.98 1ro3 n ASP 38 N 4.71 0.00 0.00 0.00 2.03 -1.25 -4.49 116.55 117.55 1ro3 n ASP 38 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1ro3 n ASP 38 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -2.07 2.15 -0.63 0.00 -0.04 -1.01 -0.10 135.00 133.30 1ro3 n PRO 40 Ca 0.00 -2.19 -0.02 0.00 -0.04 0.00 0.00 63.50 61.25 1ro3 n PRO 40 Cb 0.00 -3.08 -0.02 0.00 -0.04 0.00 0.00 33.50 30.36 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 6.53 0.00 -2.79 0.54 0.63 -1.26 -1.60 116.66 118.70 1ro3 n ARG 41 Ca 0.51 -0.30 -0.35 0.00 -0.92 0.00 0.00 57.85 56.79 1ro3 n ARG 41 Cb 0.39 0.47 -0.01 0.00 0.45 0.00 0.00 32.46 33.77 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 0.00 6.05 -2.42 6.15 2.04 -1.22 -2.96 115.26 122.90 1ro3 n ASN 42 Ca -0.08 -3.68 -0.14 0.00 -0.44 0.00 0.00 54.58 50.23 1ro3 n ASN 42 Cb 0.38 -0.90 -0.10 0.00 -2.53 0.00 0.00 39.78 36.63 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 -0.09 1.83 0.00 -0.53 -0.04 -1.26 -1.16 135.00 133.75 1ro3 n PRO 43 Ca 0.39 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 1ro3 n PRO 43 Cb 0.32 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 2.97 0.00 0.00 0.54 -0.00 -1.26 -4.94 115.22 112.53 1ro3 n HIS 44 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 1ro3 n HIS 44 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 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 -1.15 -0.41 4.76 -1.26 -3.62 118.16 116.48 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 0.00 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 -0.28 -0.25 0.00 0.72 0.00 -1.26 -5.01 105.19 99.10 1ro3 n GLY 46 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.17 0.00 -0.53 1.61 -0.04 -1.22 -5.08 135.00 129.58 1ro3 n PRO 47 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ro3 n PRO 47 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -2.80 -0.90 0.55 0.00 -0.31 -4.97 120.51 109.08 1ro3 n ALA 48 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ro3 n ALA 48 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91