#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 1.25 0.00 0.00 1.02 -1.26 -4.79 120.64 116.86 1ro3 n GLU 3 Ca 0.00 -1.66 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 1ro3 n GLU 3 Cb 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 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 -0.86 0.00 0.00 1.62 2.88 -0.96 -5.09 113.62 111.20 1ro3 n SER 4 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ro3 n SER 4 Cb 0.86 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 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 2.39 3.76 0.46 0.00 -1.26 0.22 105.19 110.76 1ro3 n GLY 5 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.49 4.52 0.00 1.61 0.04 -1.20 -1.15 135.00 138.34 1ro3 s PRO 6 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1ro3 s PRO 6 Cb 0.00 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1ro3 s PRO 6 CO 0.00 0.13 0.00 0.00 0.04 0.00 0.00 177.00 177.17 1ro3 n ARG 9 N 0.00 0.00 -2.63 0.00 -4.01 -1.22 0.52 116.66 109.33 1ro3 n ARG 9 Ca 0.00 0.00 -0.08 0.00 -1.04 0.00 0.00 57.85 56.73 1ro3 n ARG 9 Cb 0.00 0.00 0.04 0.00 -3.04 0.00 0.00 32.46 29.46 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1ro3 n ASN 10 N -0.26 2.36 -0.31 2.89 0.23 -1.24 -3.75 115.26 115.20 1ro3 n ASN 10 Ca 0.00 -2.59 -0.01 0.00 -0.53 0.00 0.00 54.58 51.46 1ro3 n ASN 10 Cb 0.00 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.24 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 -0.91 0.00 -0.14 0.00 3.00 -1.17 -4.99 118.16 113.95 1ro3 n LYS 12 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1ro3 n LYS 12 Cb 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 35.03 35.17 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 -1.40 0.00 0.00 5.64 -0.00 -1.25 -4.78 117.46 115.67 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 -1.58 0.00 0.00 -0.00 0.00 0.00 39.48 37.90 1ro3 n PHE 13 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1ro3 n LEU 14 N -0.34 1.36 0.00 -2.13 -0.00 -1.26 -4.77 117.00 109.86 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 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1ro3 n LEU 14 CO 0.00 -0.01 0.00 2.29 -0.00 0.00 0.00 177.39 179.67 1ro3 n LYS 15 N -1.06 0.00 -2.04 1.96 2.85 -1.26 -5.00 118.16 113.62 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 -0.48 0.00 -1.58 1.02 -1.26 -4.44 120.64 113.89 1ro3 n GLU 16 Ca 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1ro3 n GLU 16 Cb 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 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 -0.49 -1.81 0.00 0.62 0.00 -1.26 -5.03 105.19 97.22 1ro3 n GLY 17 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.55 2.61 -1.04 -1.26 -4.90 114.28 108.14 1ro3 n THR 18 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1ro3 n THR 18 Cb 0.00 0.58 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 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 -1.30 -0.85 0.00 12.58 0.00 -1.23 0.33 119.36 128.90 1ro3 n ILE 19 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 62.75 63.02 1ro3 n ILE 19 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 39.64 39.03 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 -0.88 0.17 -0.78 0.00 1.02 -1.24 -3.26 119.74 114.78 1ro3 s LYS 21 Ca 0.00 -0.30 -0.24 0.00 0.02 0.00 0.00 55.97 55.45 1ro3 s LYS 21 Cb 0.00 -1.29 -0.16 0.00 -0.52 0.00 0.00 37.83 35.86 1ro3 s LYS 21 CO 0.00 -0.89 2.39 -2.13 -0.92 0.00 0.00 175.35 173.80 1ro3 n ARG 22 N 5.27 0.54 0.12 1.68 3.00 -1.25 -4.47 116.66 121.55 1ro3 n ARG 22 Ca -0.06 -0.57 -0.00 0.00 -0.00 0.00 0.00 57.85 57.22 1ro3 n ARG 22 Cb 0.45 -3.21 0.04 0.00 0.00 0.00 0.00 32.46 29.74 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 13.56 0.64 -0.94 5.13 0.00 -1.83 6.79 119.26 142.61 1ro3 h ALA 23 Ca -0.03 -0.59 0.24 0.00 0.00 0.00 0.00 54.91 54.53 1ro3 h ALA 23 Cb 1.07 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.59 1ro3 h ALA 23 CO 1.13 0.81 0.01 0.00 0.00 0.00 0.00 179.25 181.20 1ro3 h ARG 24 N 0.00 0.03 0.00 0.00 3.08 -1.86 -3.39 114.38 112.24 1ro3 h ARG 24 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ro3 h ARG 24 Cb 1.41 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1ro3 h ARG 24 CO 0.08 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 1ro3 n GLY 25 N -1.49 0.05 3.31 0.04 0.00 -1.24 -4.79 105.19 101.07 1ro3 n GLY 25 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1ro3 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ro3 s ASP 26 N -2.66 -1.00 0.70 1.61 -1.08 0.22 -5.09 116.67 109.37 1ro3 s ASP 26 Ca 0.00 0.91 -0.17 0.00 -0.52 0.00 0.00 52.55 52.77 1ro3 s ASP 26 Cb 0.00 1.96 -0.13 0.00 -1.46 0.00 0.00 42.92 43.29 1ro3 s ASP 26 CO 0.00 -0.19 -0.18 -0.90 0.52 0.00 0.00 175.17 174.42 1ro3 n ASP 27 N 5.36 -3.81 0.00 -0.34 5.75 2.17 -3.91 116.55 121.76 1ro3 n ASP 27 Ca -0.06 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 1ro3 n ASP 27 Cb 0.51 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1ro3 n ASP 27 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ro3 n MET 28 N 1.30 0.00 0.00 0.11 2.81 -1.26 -4.21 117.12 115.87 1ro3 n MET 28 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1ro3 n MET 28 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 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 0.00 0.00 -3.15 7.83 8.00 1.01 -4.87 116.55 125.38 1ro3 n ASP 29 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1ro3 n ASP 29 Cb 0.00 0.00 -0.02 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 1.00 -0.03 0.53 -2.24 -4.77 0.72 -2.94 116.67 108.94 1ro3 s ASP 30 Ca 0.00 0.01 0.05 0.00 -3.30 0.00 0.00 52.55 49.31 1ro3 s ASP 30 Cb 0.00 1.02 0.05 0.00 -1.09 0.00 0.00 42.92 42.90 1ro3 s ASP 30 CO 0.00 -0.00 0.38 0.00 0.70 0.00 0.00 175.17 176.24 1ro3 n TYR 31 N 5.40 -0.53 -3.09 2.11 4.11 -1.25 -3.85 117.16 120.05 1ro3 n TYR 31 Ca -0.06 -2.25 -0.41 0.00 -0.00 0.00 0.00 57.90 55.18 1ro3 n TYR 31 Cb 0.56 -0.43 -0.06 0.00 -0.00 0.00 0.00 39.34 39.41 1ro3 n TYR 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ro3 n ASN 33 N 5.95 5.31 0.00 0.00 6.94 -0.88 -4.67 115.26 127.91 1ro3 n ASN 33 Ca -0.00 -2.86 0.00 0.00 -0.02 0.00 0.00 54.58 51.69 1ro3 n ASN 33 Cb 0.49 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 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 0.55 0.84 0.76 4.83 0.00 -1.26 -4.82 105.19 106.09 1ro3 n GLY 34 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.26 0.16 -4.14 1.61 4.81 -1.26 -4.80 118.16 112.28 1ro3 n LYS 35 Ca 0.00 0.06 -0.19 0.00 -0.87 0.00 0.00 58.31 57.31 1ro3 n LYS 35 Cb 0.00 -0.78 -0.07 0.00 0.02 0.00 0.00 35.03 34.20 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 -3.79 0.00 -2.33 3.15 -1.04 -1.26 -3.72 114.28 105.29 1ro3 n THR 36 Ca -0.04 -2.31 -0.12 0.00 -2.04 0.00 0.00 64.05 59.53 1ro3 n THR 36 Cb 0.16 1.13 0.04 0.00 -1.82 0.00 0.00 70.33 69.84 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 -0.64 1.94 -1.07 0.00 10.43 -1.25 -3.36 116.55 122.60 1ro3 n ASP 38 Ca 0.27 0.36 -0.01 0.00 2.57 0.00 0.00 54.79 57.98 1ro3 n ASP 38 Cb 0.90 -0.85 0.00 0.00 1.84 0.00 0.00 41.12 43.01 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ro3 s PRO 40 N 0.01 3.08 0.00 0.00 0.04 -0.42 0.11 135.00 137.82 1ro3 s PRO 40 Ca 0.01 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1ro3 s PRO 40 Cb 0.03 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.41 1ro3 s PRO 40 CO -0.01 -2.75 0.00 -2.13 0.04 0.00 0.00 177.00 172.15 1ro3 n ARG 41 N 8.90 0.00 -2.47 4.56 0.63 -1.26 -2.07 116.66 124.95 1ro3 n ARG 41 Ca 0.35 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.97 1ro3 n ARG 41 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 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 5.45 -2.15 6.15 2.04 -1.25 -3.50 115.26 122.01 1ro3 n ASN 42 Ca 0.00 -3.74 -0.09 0.00 -0.44 0.00 0.00 54.58 50.31 1ro3 n ASN 42 Cb 0.00 -0.66 -0.13 0.00 -2.53 0.00 0.00 39.78 36.47 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 -0.42 1.54 0.00 -0.53 -0.04 -1.26 -0.00 135.00 134.28 1ro3 n PRO 43 Ca 0.41 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1ro3 n PRO 43 Cb 0.49 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 2.65 0.00 0.00 0.54 8.25 -1.26 -4.91 115.22 120.50 1ro3 n HIS 44 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1ro3 n HIS 44 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1ro3 n HIS 44 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ro3 n LYS 45 N 0.00 0.00 -0.66 -0.41 4.76 -1.26 -4.03 118.16 116.56 1ro3 n LYS 45 Ca 0.00 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1ro3 n LYS 45 Cb 0.00 -0.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.70 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 -0.79 0.71 0.00 0.72 0.00 -1.26 -5.00 105.19 99.56 1ro3 n GLY 46 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.06 2.97 0.00 1.61 -0.04 -1.19 -5.07 135.00 133.34 1ro3 n PRO 47 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 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 -0.61 0.55 0.00 0.99 -4.64 120.51 113.80 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