#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua n PHE 2 N 0.00 0.46 0.89 1.24 1.16 -1.26 -3.91 117.46 116.04 1uua n PHE 2 Ca 0.00 -0.23 0.13 0.00 -1.87 0.00 0.00 57.45 55.47 1uua n PHE 2 Cb 0.00 0.00 0.35 0.00 -1.61 0.00 0.00 39.48 38.22 1uua n PHE 2 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1uua n LEU 4 N -1.67 0.45 -4.87 0.00 4.77 -1.26 -4.36 117.00 110.06 1uua n LEU 4 Ca 0.06 -0.60 -0.34 0.00 -0.03 0.00 0.00 56.01 55.10 1uua n LEU 4 Cb 0.36 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1uua n LEU 4 CO 0.33 0.11 0.09 -1.61 -1.33 0.00 0.00 177.39 174.98 1uua s GLU 5 N -0.30 3.75 0.69 3.23 0.41 -1.25 -4.59 118.70 120.64 1uua s GLU 5 Ca 0.00 0.15 -0.11 0.00 -0.41 0.00 0.00 54.97 54.59 1uua s GLU 5 Cb 0.00 -2.91 0.01 0.00 -1.78 0.00 0.00 34.13 29.45 1uua s GLU 5 CO 0.00 0.50 1.07 -2.14 -0.49 0.00 0.00 175.26 174.20 1uua s PRO 6 N -2.21 2.96 0.82 0.39 0.02 -1.26 -4.63 135.00 131.09 1uua s PRO 6 Ca 0.37 0.62 -0.11 0.00 0.02 0.00 0.00 61.00 61.91 1uua s PRO 6 Cb -0.13 -2.02 0.09 0.00 0.02 0.00 0.00 34.50 32.45 1uua s PRO 6 CO 0.20 -0.99 1.11 -1.25 -0.33 0.00 0.00 177.00 175.74 1uua s PRO 7 N -5.25 1.83 -0.42 5.54 0.04 -1.26 -5.05 135.00 130.43 1uua s PRO 7 Ca 0.58 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.97 1uua s PRO 7 Cb -0.12 -1.84 0.16 0.00 0.04 0.00 0.00 34.50 32.74 1uua s PRO 7 CO 0.53 -1.99 0.31 -0.47 0.04 0.00 0.00 177.00 175.42 1uua s TYR 8 N -2.78 1.29 -0.20 0.56 5.04 -1.26 -4.97 117.35 115.02 1uua s TYR 8 Ca 0.64 -2.23 -0.15 0.00 -2.44 0.00 0.00 57.07 52.88 1uua s TYR 8 Cb -0.19 -1.17 -0.09 0.00 0.35 0.00 0.00 41.96 40.86 1uua s TYR 8 CO 0.56 -0.80 -0.22 2.41 -1.34 0.00 0.00 175.55 176.17 1uua n THR 9 N 3.18 1.49 -2.42 4.34 -1.04 -1.26 -4.68 114.28 113.88 1uua n THR 9 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1uua n THR 9 Cb 0.42 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 1uua n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uua n GLY 10 N 1.44 -1.53 0.00 3.41 0.00 -1.26 -4.16 105.19 103.09 1uua n GLY 10 Ca -0.25 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.32 1uua n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uua n PRO 11 N 0.00 0.69 -3.45 1.61 -0.02 -1.26 -4.80 135.00 127.77 1uua n PRO 11 Ca 0.00 0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 61.13 1uua n PRO 11 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uua s LYS 13 N -1.58 0.55 0.97 0.00 1.02 -1.26 -4.95 119.74 114.49 1uua s LYS 13 Ca 0.31 -1.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.83 1uua s LYS 13 Cb -0.16 -1.27 0.19 0.00 -0.52 0.00 0.00 37.83 36.07 1uua s LYS 13 CO 0.17 -1.21 1.25 0.00 -0.92 0.00 0.00 175.35 174.64 1uua s ALA 14 N 1.08 2.01 -0.32 5.17 0.00 -1.26 -5.00 121.76 123.44 1uua s ALA 14 Ca 0.18 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.21 1uua s ALA 14 Cb -0.22 -2.84 0.64 0.00 0.00 0.00 0.00 23.12 20.70 1uua s ALA 14 CO 0.01 -2.49 1.69 2.89 0.00 0.00 0.00 175.76 177.86 1uua n ARG 15 N -3.85 2.86 -3.74 0.00 -4.01 -1.26 -4.79 116.66 101.86 1uua n ARG 15 Ca 0.13 -3.06 -0.29 0.00 -1.04 0.00 0.00 57.85 53.59 1uua n ARG 15 Cb 0.60 -2.05 -0.13 0.00 -3.04 0.00 0.00 32.46 27.84 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1uua s ILE 16 N -3.09 1.74 0.29 8.89 1.01 -1.26 -5.05 121.20 123.72 1uua s ILE 16 Ca 0.51 -3.02 -0.22 0.00 0.00 0.00 0.00 60.65 57.92 1uua s ILE 16 Cb 0.42 -2.19 -0.09 0.00 0.01 0.00 0.00 42.46 40.61 1uua s ILE 16 CO 0.09 -0.95 0.84 -0.63 0.00 0.00 0.00 174.94 174.29 1uua s ILE 17 N -0.14 4.40 0.00 2.92 1.09 -1.26 0.08 121.20 128.29 1uua s ILE 17 Ca 0.21 1.53 0.00 0.00 -1.10 0.00 0.00 60.65 61.29 1uua s ILE 17 Cb -0.17 -3.90 0.00 0.00 -1.06 0.00 0.00 42.46 37.33 1uua s ILE 17 CO -0.06 0.13 0.00 -1.14 -0.10 0.00 0.00 174.94 173.77 1uua n ARG 18 N 0.52 0.07 -4.51 2.79 0.63 0.80 -4.85 116.66 112.11 1uua n ARG 18 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 1uua n ARG 18 Cb 0.51 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.32 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1uua s TYR 19 N -1.11 2.44 0.21 -0.14 1.51 0.68 0.10 117.35 121.04 1uua s TYR 19 Ca 0.00 -0.51 -0.16 0.00 -1.01 0.00 0.00 57.07 55.39 1uua s TYR 19 Cb 0.00 -1.46 0.06 0.00 -0.11 0.00 0.00 41.96 40.45 1uua s TYR 19 CO 0.00 0.55 0.81 1.97 -1.11 0.00 0.00 175.55 177.76 1uua n PHE 20 N -0.85 -1.50 -4.84 2.71 -1.74 -0.86 -1.35 117.46 109.04 1uua n PHE 20 Ca -0.05 -1.21 -0.28 0.00 -0.56 0.00 0.00 57.45 55.36 1uua n PHE 20 Cb 0.64 0.59 -0.17 0.00 1.52 0.00 0.00 39.48 42.06 1uua n PHE 20 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1uua s TYR 21 N -2.89 1.89 -0.20 2.97 6.14 -1.26 0.15 117.35 124.14 1uua s TYR 21 Ca 0.18 -0.73 -0.06 0.00 0.64 0.00 0.00 57.07 57.09 1uua s TYR 21 Cb -0.03 -1.32 -0.03 0.00 0.42 0.00 0.00 41.96 41.00 1uua s TYR 21 CO 0.06 -0.33 0.03 -0.80 0.64 0.00 0.00 175.55 175.16 1uua s ASN 22 N 0.52 5.14 -0.02 4.32 0.01 -0.74 -4.78 114.94 119.40 1uua s ASN 22 Ca -0.16 -0.11 0.02 0.00 -0.71 0.00 0.00 52.86 51.90 1uua s ASN 22 Cb -0.17 -1.89 0.09 0.00 0.41 0.00 0.00 41.25 39.70 1uua s ASN 22 CO 0.06 0.08 0.85 0.00 -1.51 0.00 0.00 177.10 176.58 1uua n ALA 23 N 4.15 2.58 -0.09 0.60 0.00 -1.26 -1.15 120.51 125.34 1uua n ALA 23 Ca -0.17 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 1uua n ALA 23 Cb 0.52 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.84 1uua n ALA 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 24 N -0.07 0.68 -0.09 0.00 3.00 -1.26 -4.60 118.16 115.82 1uua n LYS 24 Ca 0.03 0.18 -0.10 0.00 -0.00 0.00 0.00 58.31 58.42 1uua n LYS 24 Cb 0.23 -1.58 -0.13 0.00 0.00 0.00 0.00 35.03 33.55 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uua n ALA 25 N -3.18 1.55 -0.14 3.14 0.00 -1.21 -5.03 120.51 115.65 1uua n ALA 25 Ca -0.42 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1uua n ALA 25 Cb 1.01 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.36 1uua n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uua n GLY 26 N 2.04 0.91 3.39 0.00 0.00 -0.30 -5.09 105.19 106.15 1uua n GLY 26 Ca -0.31 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1uua n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uua s LEU 27 N 0.00 1.83 -0.04 0.99 2.34 -1.23 -4.96 118.68 117.60 1uua s LEU 27 Ca 0.00 -1.53 -0.19 0.00 0.06 0.00 0.00 54.13 52.47 1uua s LEU 27 Cb 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 46.19 45.58 1uua s LEU 27 CO 0.00 -0.83 0.54 0.00 -1.06 0.00 0.00 176.35 175.00 1uua n GLN 29 N 2.99 3.17 -4.23 0.00 3.00 0.12 -4.93 117.38 117.51 1uua n GLN 29 Ca -0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.68 1uua n GLN 29 Cb 0.51 0.00 -0.17 0.00 0.00 0.00 0.00 30.24 30.59 1uua n GLN 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1uua s THR 30 N 0.97 0.86 -0.00 5.09 -4.23 -1.26 -2.03 115.64 115.03 1uua s THR 30 Ca 0.00 -0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.16 1uua s THR 30 Cb 0.00 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1uua s THR 30 CO 0.00 0.31 0.16 0.72 -0.54 0.00 0.00 174.62 175.27 1uua s PHE 31 N 1.09 0.00 1.15 3.99 -0.71 0.28 -4.90 117.98 118.89 1uua s PHE 31 Ca -0.07 -0.05 -0.19 0.00 -1.04 0.00 0.00 56.93 55.57 1uua s PHE 31 Cb -0.14 -0.03 0.28 0.00 -1.21 0.00 0.00 43.02 41.92 1uua s PHE 31 CO -0.01 -0.28 1.21 0.08 -1.34 0.00 0.00 175.22 174.88 1uua s VAL 32 N -1.27 1.70 -0.26 -2.49 1.01 -1.26 0.28 120.40 118.11 1uua s VAL 32 Ca -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1uua s VAL 32 Cb -0.07 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.69 1uua s VAL 32 CO 0.02 0.00 0.66 -0.47 0.00 0.00 0.00 175.10 175.30 1uua s TYR 33 N -3.40 -0.85 0.15 5.22 5.04 0.11 -4.63 117.35 118.99 1uua s TYR 33 Ca 0.74 1.89 0.03 0.00 -2.44 0.00 0.00 57.07 57.29 1uua s TYR 33 Cb -0.05 0.41 -0.01 0.00 0.35 0.00 0.00 41.96 42.65 1uua s TYR 33 CO 0.55 -0.42 0.14 0.41 -1.34 0.00 0.00 175.55 174.89 1uua n GLY 34 N 3.48 3.41 0.63 8.97 0.00 -1.26 -4.16 105.19 116.26 1uua n GLY 34 Ca -0.17 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.20 1uua n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 35 N -0.27 0.57 0.11 -0.02 0.00 -1.26 -4.17 105.19 100.15 1uua n GLY 35 Ca 0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua s ARG 37 N -2.47 0.92 -0.10 0.00 3.00 -1.26 -5.12 118.95 113.92 1uua s ARG 37 Ca -0.32 -0.55 -0.06 0.00 0.00 0.00 0.00 55.73 54.81 1uua s ARG 37 Cb 0.09 -2.20 -0.04 0.00 0.00 0.00 0.00 34.95 32.80 1uua s ARG 37 CO 0.49 -0.61 0.12 0.00 0.00 0.00 0.00 175.30 175.30 1uua s ALA 38 N 1.74 3.80 0.00 2.13 0.00 -1.26 -4.41 121.76 123.76 1uua s ALA 38 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1uua s ALA 38 Cb -0.17 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1uua s ALA 38 CO -0.07 0.63 0.00 1.63 0.00 0.00 0.00 175.76 177.95 1uua n LYS 39 N 1.85 3.32 0.00 0.00 4.76 -1.26 -5.06 118.16 121.76 1uua n LYS 39 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1uua n LYS 39 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1uua n LYS 39 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1uua n ARG 40 N -0.05 0.31 -4.01 1.97 5.12 -1.26 -4.95 116.66 113.79 1uua n ARG 40 Ca 0.00 -0.68 -0.31 0.00 -1.93 0.00 0.00 57.85 54.93 1uua n ARG 40 Cb 0.00 -0.87 -0.15 0.00 -1.16 0.00 0.00 32.46 30.28 1uua n ARG 40 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1uua s ASN 41 N -0.26 4.79 -0.03 0.55 3.04 -1.26 -4.92 114.94 116.84 1uua s ASN 41 Ca 0.00 -2.12 0.01 0.00 0.04 0.00 0.00 52.86 50.79 1uua s ASN 41 Cb 0.00 -1.64 0.02 0.00 -1.54 0.00 0.00 41.25 38.09 1uua s ASN 41 CO 0.00 -0.38 -0.05 0.20 -3.04 0.00 0.00 177.10 173.83 1uua s ASN 42 N 0.97 0.86 0.13 -4.21 0.02 -1.26 -4.73 114.94 106.72 1uua s ASN 42 Ca 0.10 -0.12 -0.04 0.00 -1.02 0.00 0.00 52.86 51.78 1uua s ASN 42 Cb -0.19 -0.35 -0.03 0.00 0.02 0.00 0.00 41.25 40.70 1uua s ASN 42 CO -0.08 -0.02 0.12 -0.36 0.02 0.00 0.00 177.10 176.78 1uua s PHE 43 N 0.65 0.67 -0.26 2.20 0.08 -0.46 -4.97 117.98 115.90 1uua s PHE 43 Ca -0.09 -1.06 -0.06 0.00 0.12 0.00 0.00 56.93 55.85 1uua s PHE 43 Cb -0.12 -0.33 -0.15 0.00 -0.57 0.00 0.00 43.02 41.85 1uua s PHE 43 CO 0.00 -0.57 -0.27 1.17 -0.10 0.00 0.00 175.22 175.46 1uua n LYS 44 N -0.11 0.62 -4.17 0.44 3.00 -1.26 -0.23 118.16 116.44 1uua n LYS 44 Ca -0.07 0.21 -0.11 0.00 -0.00 0.00 0.00 58.31 58.35 1uua n LYS 44 Cb 0.63 -1.52 -0.10 0.00 0.00 0.00 0.00 35.03 34.05 1uua n LYS 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1uua s SER 45 N -7.00 1.02 0.56 3.14 0.01 -1.26 -4.65 113.70 105.51 1uua s SER 45 Ca -0.36 -1.06 0.27 0.00 1.31 0.00 0.00 55.95 56.11 1uua s SER 45 Cb 0.12 0.13 1.62 0.00 0.21 0.00 0.00 66.02 68.10 1uua s SER 45 CO 0.55 -0.53 2.18 0.00 0.41 0.00 0.00 173.24 175.86 1uua h ALA 46 N 2.92 1.49 -0.18 1.44 0.00 -1.93 -1.71 119.26 121.29 1uua h ALA 46 Ca -0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1uua h ALA 46 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1uua h ALA 46 CO 0.64 0.06 0.00 -1.91 0.00 0.00 0.00 179.25 178.04 1uua n GLU 47 N -3.86 0.00 -0.37 0.00 2.13 -1.26 -0.84 120.64 116.44 1uua n GLU 47 Ca -0.03 0.48 -0.00 0.00 0.66 0.00 0.00 57.16 58.27 1uua n GLU 47 Cb 0.14 -1.47 0.13 0.00 0.27 0.00 0.00 31.44 30.51 1uua n GLU 47 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1uua h ASP 48 N 0.00 1.10 0.15 4.31 1.82 -1.98 -1.58 116.42 120.24 1uua h ASP 48 Ca 0.00 -0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1uua h ASP 48 Cb 0.00 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 39.71 1uua h ASP 48 CO 0.00 0.76 -0.45 0.00 -1.61 0.00 0.00 179.24 177.95 1uua h MET 50 N -0.70 0.90 0.00 0.00 2.86 -0.85 -1.36 114.93 115.77 1uua h MET 50 Ca 0.01 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1uua h MET 50 Cb 0.71 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1uua h MET 50 CO -0.24 0.83 -0.25 -0.09 1.06 0.00 0.00 176.91 178.22 1uua h ARG 51 N 0.80 0.00 0.12 1.72 9.65 -1.11 0.24 114.38 125.80 1uua h ARG 51 Ca 0.18 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.70 1uua h ARG 51 Cb 0.34 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1uua h ARG 51 CO 0.00 0.25 -1.97 2.41 2.80 0.00 0.00 179.97 183.47 1uua n THR 52 N -3.51 1.77 -0.08 0.20 -1.04 0.67 -3.65 114.28 108.64 1uua n THR 52 Ca -0.00 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.05 61.28 1uua n THR 52 Cb 0.41 -1.75 -0.06 0.00 -1.82 0.00 0.00 70.33 67.11 1uua n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uua n GLY 54 N 1.58 5.45 2.72 0.00 0.00 0.85 -4.56 105.19 111.23 1uua n GLY 54 Ca -0.15 -2.42 -0.07 0.00 0.00 0.00 0.00 46.02 43.38 1uua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 55 N -0.28 -0.16 0.77 -0.02 0.00 -1.19 -4.64 105.19 99.67 1uua n GLY 55 Ca 0.53 0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.95 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32