#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 0.00 -0.01 -0.67 1.16 -1.26 -4.84 117.46 111.83 1uua n PHE 2 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.45 1uua n PHE 2 Cb 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 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 -4.81 5.80 -4.28 0.00 -0.00 -1.26 -3.74 117.00 108.71 1uua n LEU 4 Ca -0.09 -3.06 -0.20 0.00 -0.00 0.00 0.00 56.01 52.66 1uua n LEU 4 Cb 0.31 -1.19 -0.11 0.00 -0.00 0.00 0.00 43.42 42.43 1uua n LEU 4 CO 0.32 1.32 -0.47 -1.61 -0.00 0.00 0.00 177.39 176.94 1uua s GLU 5 N -0.54 1.12 0.25 1.47 0.41 -1.25 -5.03 118.70 115.14 1uua s GLU 5 Ca 0.31 -1.27 -0.30 0.00 -0.41 0.00 0.00 54.97 53.30 1uua s GLU 5 Cb 0.19 -1.13 -0.10 0.00 -1.78 0.00 0.00 34.13 31.30 1uua s GLU 5 CO -0.03 0.23 1.46 -1.25 -0.49 0.00 0.00 175.26 175.18 1uua s PRO 6 N -2.53 4.25 0.39 0.39 0.04 -1.26 -4.93 135.00 131.36 1uua s PRO 6 Ca 0.10 2.32 -0.27 0.00 0.04 0.00 0.00 61.00 63.20 1uua s PRO 6 Cb -0.06 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 1uua s PRO 6 CO 0.04 -0.45 1.37 -0.35 0.04 0.00 0.00 177.00 177.66 1uua n PRO 7 N 2.41 2.28 -3.93 0.56 -0.04 -1.26 -5.01 135.00 130.00 1uua n PRO 7 Ca 0.07 0.80 -0.33 0.00 -0.04 0.00 0.00 63.50 64.00 1uua n PRO 7 Cb 0.40 -2.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.23 1uua n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1uua s TYR 8 N -1.14 3.59 0.00 0.54 5.04 -1.26 -5.01 117.35 119.11 1uua s TYR 8 Ca 0.57 -2.59 0.00 0.00 -2.44 0.00 0.00 57.07 52.60 1uua s TYR 8 Cb -0.51 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 38.99 1uua s TYR 8 CO 0.61 -0.93 0.00 2.41 -1.34 0.00 0.00 175.55 176.30 1uua n THR 9 N 4.43 0.00 0.00 4.34 -1.04 -1.26 -4.72 114.28 116.03 1uua n THR 9 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1uua n THR 9 Cb 0.42 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 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 2.65 2.68 3.57 3.41 0.00 -1.26 -4.22 105.19 112.03 1uua n GLY 10 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 1uua n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uua s PRO 11 N -5.10 2.02 0.00 1.61 0.02 -1.26 -4.81 135.00 127.48 1uua s PRO 11 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 61.00 60.41 1uua s PRO 11 Cb 0.00 -5.08 0.00 0.00 0.02 0.00 0.00 34.50 29.44 1uua s PRO 11 CO 0.00 -4.37 0.00 0.00 -0.33 0.00 0.00 177.00 172.30 1uua n LYS 13 N 0.00 4.24 -0.01 0.00 5.02 -1.26 -4.82 118.16 121.33 1uua n LYS 13 Ca 0.00 -4.51 -0.08 0.00 -2.02 0.00 0.00 58.31 51.71 1uua n LYS 13 Cb 0.00 -2.53 -0.06 0.00 -0.02 0.00 0.00 35.03 32.42 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uua h ALA 14 N 5.74 -0.10 -2.29 7.82 0.00 -1.91 -3.41 119.26 125.11 1uua h ALA 14 Ca 0.20 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1uua h ALA 14 Cb 0.68 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1uua h ALA 14 CO 1.27 -0.12 -0.15 2.89 0.00 0.00 0.00 179.25 183.14 1uua n ARG 15 N -4.80 -1.49 -4.15 0.00 -4.01 -1.26 -4.80 116.66 96.15 1uua n ARG 15 Ca -0.05 0.41 -0.15 0.00 -1.04 0.00 0.00 57.85 57.01 1uua n ARG 15 Cb 0.22 -4.65 -0.14 0.00 -3.04 0.00 0.00 32.46 24.86 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 -1.80 0.46 -0.27 8.89 1.01 -1.26 -5.09 121.20 123.15 1uua s ILE 16 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1uua s ILE 16 Cb 0.00 -0.42 0.07 0.00 0.01 0.00 0.00 42.46 42.11 1uua s ILE 16 CO 0.00 0.02 -0.08 -0.63 0.00 0.00 0.00 174.94 174.26 1uua s ILE 17 N -0.38 2.05 0.00 2.92 1.09 -1.26 -1.31 121.20 124.30 1uua s ILE 17 Ca -0.00 -1.65 0.00 0.00 -1.10 0.00 0.00 60.65 57.90 1uua s ILE 17 Cb -0.04 -2.23 0.00 0.00 -1.06 0.00 0.00 42.46 39.13 1uua s ILE 17 CO -0.00 -0.12 0.00 0.54 -0.10 0.00 0.00 174.94 175.26 1uua n ARG 18 N 4.46 0.72 -4.22 2.79 1.74 1.89 -4.64 116.66 119.40 1uua n ARG 18 Ca -0.11 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.77 1uua n ARG 18 Cb 0.42 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.75 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1uua s TYR 19 N -0.05 1.41 0.05 -1.55 1.51 -0.64 0.49 117.35 118.57 1uua s TYR 19 Ca 0.00 -0.47 -0.10 0.00 -1.01 0.00 0.00 57.07 55.48 1uua s TYR 19 Cb 0.00 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 1uua s TYR 19 CO 0.00 0.12 0.22 -0.59 -1.11 0.00 0.00 175.55 174.19 1uua s PHE 20 N -1.46 0.03 -0.31 2.71 -0.71 -0.22 -2.07 117.98 115.94 1uua s PHE 20 Ca 0.03 -0.26 -0.26 0.00 -1.04 0.00 0.00 56.93 55.40 1uua s PHE 20 Cb -0.09 -0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.73 1uua s PHE 20 CO 0.03 -0.46 0.91 -0.47 -1.34 0.00 0.00 175.22 173.89 1uua s TYR 21 N -2.74 3.18 -0.64 3.49 5.04 -1.25 -0.15 117.35 124.30 1uua s TYR 21 Ca -0.04 0.99 -0.05 0.00 -2.44 0.00 0.00 57.07 55.53 1uua s TYR 21 Cb -0.00 -3.42 0.17 0.00 0.35 0.00 0.00 41.96 39.06 1uua s TYR 21 CO -0.05 -0.65 0.47 -0.80 -1.34 0.00 0.00 175.55 173.19 1uua s ASN 22 N 1.62 5.47 0.00 4.32 -0.87 -0.62 -4.15 114.94 120.71 1uua s ASN 22 Ca 0.38 -2.77 0.00 0.00 -1.57 0.00 0.00 52.86 48.90 1uua s ASN 22 Cb -0.13 -1.91 0.00 0.00 -0.02 0.00 0.00 41.25 39.19 1uua s ASN 22 CO 0.13 -0.41 0.21 0.00 -2.57 0.00 0.00 177.10 174.46 1uua n ALA 23 N 3.64 1.60 -0.10 0.60 0.00 -1.26 -1.31 120.51 123.68 1uua n ALA 23 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1uua n ALA 23 Cb 0.39 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.00 0.68 -0.00 0.00 3.00 -1.26 -4.40 118.16 116.17 1uua n LYS 24 Ca 0.00 0.15 0.11 0.00 -0.00 0.00 0.00 58.31 58.57 1uua n LYS 24 Cb 0.04 -1.57 -0.12 0.00 0.00 0.00 0.00 35.03 33.38 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 -3.10 3.68 -0.75 3.14 0.00 -0.43 -5.00 120.51 118.05 1uua n ALA 25 Ca -0.40 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1uua n ALA 25 Cb 1.03 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 1.37 0.60 2.20 0.00 0.00 -0.47 -5.03 105.19 103.85 1uua n GLY 26 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1uua n GLY 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1uua n LEU 27 N 0.00 0.00 -4.87 0.99 -0.00 -1.22 -4.44 117.00 107.45 1uua n LEU 27 Ca 0.00 -1.68 -0.30 0.00 -0.00 0.00 0.00 56.01 54.03 1uua n LEU 27 Cb 0.00 1.96 -0.02 0.00 -0.00 0.00 0.00 43.42 45.36 1uua n LEU 27 CO 0.00 -0.47 0.52 0.00 -0.00 0.00 0.00 177.39 177.44 1uua s GLN 29 N -4.22 0.71 -0.14 0.00 2.00 0.79 -4.87 119.66 113.92 1uua s GLN 29 Ca 0.52 -1.01 -0.29 0.00 -2.00 0.00 0.00 55.36 52.57 1uua s GLN 29 Cb -0.10 -0.37 -0.01 0.00 0.80 0.00 0.00 33.01 33.32 1uua s GLN 29 CO 0.37 0.05 1.10 0.95 -0.50 0.00 0.00 175.29 177.26 1uua s THR 30 N -2.19 4.56 -0.02 -0.34 -4.23 -1.26 -1.06 115.64 111.11 1uua s THR 30 Ca -0.00 1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 62.34 1uua s THR 30 Cb -0.04 -4.20 0.00 0.00 1.34 0.00 0.00 72.50 69.60 1uua s THR 30 CO -0.01 -0.07 0.06 0.72 -0.54 0.00 0.00 174.62 174.78 1uua s PHE 31 N 2.63 -0.02 -0.05 3.99 -0.71 0.18 -4.93 117.98 119.07 1uua s PHE 31 Ca 0.50 0.07 -0.30 0.00 -1.04 0.00 0.00 56.93 56.16 1uua s PHE 31 Cb -0.19 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 1uua s PHE 31 CO 0.15 -0.08 1.08 0.08 -1.34 0.00 0.00 175.22 175.11 1uua s VAL 32 N -0.27 4.56 -0.12 -2.49 1.01 -1.26 0.50 120.40 122.34 1uua s VAL 32 Ca -0.03 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 1uua s VAL 32 Cb -0.02 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1uua s VAL 32 CO 0.00 0.04 -0.10 -0.47 0.00 0.00 0.00 175.10 174.58 1uua s TYR 33 N 1.77 2.88 0.32 5.22 5.04 -0.43 -4.53 117.35 127.62 1uua s TYR 33 Ca 0.52 -0.43 -0.08 0.00 -2.44 0.00 0.00 57.07 54.64 1uua s TYR 33 Cb -0.22 -1.85 -0.06 0.00 0.35 0.00 0.00 41.96 40.18 1uua s TYR 33 CO 0.22 -0.07 0.63 0.20 -1.34 0.00 0.00 175.55 175.20 1uua s GLY 34 N 0.15 1.99 0.00 8.97 0.00 -1.26 -4.41 107.32 112.75 1uua s GLY 34 Ca -0.05 -0.36 0.19 0.00 0.00 0.00 0.00 44.72 44.50 1uua s GLY 34 CO 0.04 -0.21 1.43 0.61 0.00 0.00 0.00 173.10 174.97 1uua n GLY 35 N -0.88 1.55 0.13 0.20 0.00 -1.26 -4.22 105.19 100.71 1uua n GLY 35 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.50 3.05 -0.08 0.00 0.52 -1.26 -5.12 118.95 113.56 1uua s ARG 37 Ca -0.31 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.08 1uua s ARG 37 Cb 0.09 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 1uua s ARG 37 CO 0.63 -0.03 -0.09 0.00 0.02 0.00 0.00 175.30 175.83 1uua s ALA 38 N 0.88 2.87 0.03 2.13 0.00 -1.26 -4.65 121.76 121.75 1uua s ALA 38 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1uua s ALA 38 Cb -0.15 -1.19 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 1uua s ALA 38 CO -0.03 0.50 0.03 1.63 0.00 0.00 0.00 175.76 177.89 1uua n LYS 39 N 2.49 0.04 -3.92 0.00 4.76 -1.26 -5.12 118.16 115.15 1uua n LYS 39 Ca -0.18 -0.24 -0.30 0.00 -2.87 0.00 0.00 58.31 54.73 1uua n LYS 39 Cb 0.53 0.20 -0.14 0.00 -1.84 0.00 0.00 35.03 33.78 1uua n LYS 39 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1uua s ARG 40 N -2.09 1.80 -0.15 1.97 1.81 -1.26 -4.92 118.95 116.12 1uua s ARG 40 Ca 0.03 -2.43 -0.09 0.00 -1.72 0.00 0.00 55.73 51.52 1uua s ARG 40 Cb 0.00 -3.14 -0.06 0.00 -0.45 0.00 0.00 34.95 31.29 1uua s ARG 40 CO 0.02 -1.10 -0.22 -1.71 -0.68 0.00 0.00 175.30 171.61 1uua n ASN 41 N 3.33 1.32 0.00 0.23 5.15 -1.26 -4.71 115.26 119.32 1uua n ASN 41 Ca 0.05 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1uua n ASN 41 Cb 0.34 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 1uua n ASN 41 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1uua n ASN 42 N -3.86 0.00 -1.77 1.20 4.13 -1.26 -3.25 115.26 110.45 1uua n ASN 42 Ca -0.28 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 55.93 1uua n ASN 42 Cb 0.63 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.87 1uua n ASN 42 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1uua n PHE 43 N 0.00 -0.98 -0.11 3.10 3.72 -0.88 -4.94 117.46 117.38 1uua n PHE 43 Ca 0.00 -0.89 -0.21 0.00 -0.05 0.00 0.00 57.45 56.30 1uua n PHE 43 Cb 0.00 0.25 -0.12 0.00 -0.94 0.00 0.00 39.48 38.67 1uua n PHE 43 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1uua n LYS 44 N -0.22 0.66 -4.16 -1.08 3.00 -1.26 -1.62 118.16 113.47 1uua n LYS 44 Ca -0.01 0.21 -0.26 0.00 -0.00 0.00 0.00 58.31 58.26 1uua n LYS 44 Cb 0.23 -1.56 -0.07 0.00 0.00 0.00 0.00 35.03 33.64 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 -6.80 5.07 0.21 3.14 0.01 -1.26 -3.94 113.70 110.12 1uua s SER 45 Ca -0.33 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 1uua s SER 45 Cb 0.09 -1.18 0.17 0.00 0.21 0.00 0.00 66.02 65.32 1uua s SER 45 CO 0.61 0.07 1.60 0.00 0.41 0.00 0.00 173.24 175.93 1uua h ALA 46 N 2.49 0.84 -0.21 1.44 0.00 -1.96 -2.10 119.26 119.75 1uua h ALA 46 Ca -0.47 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.09 1uua h ALA 46 Cb 1.21 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1uua h ALA 46 CO 0.60 0.64 -0.11 0.93 0.00 0.00 0.00 179.25 181.31 1uua h GLU 47 N 0.63 -0.09 0.11 0.00 5.08 -1.99 0.24 114.58 118.57 1uua h GLU 47 Ca 0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1uua h GLU 47 Cb 0.80 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1uua h GLU 47 CO 0.07 -0.06 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.52 1uua h ASP 48 N -0.09 -0.13 -1.03 1.42 3.32 -1.99 -2.07 116.42 115.84 1uua h ASP 48 Ca 0.12 -0.40 0.27 0.00 0.02 0.00 0.00 57.03 57.04 1uua h ASP 48 Cb 0.27 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 1uua h ASP 48 CO -0.27 0.37 0.69 0.00 -1.72 0.00 0.00 179.24 178.30 1uua h MET 50 N 0.30 0.17 -0.47 0.00 2.86 -0.52 -0.64 114.93 116.63 1uua h MET 50 Ca 0.56 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 1uua h MET 50 Cb 1.59 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 33.32 1uua h MET 50 CO -0.21 1.07 0.31 -0.09 1.06 0.00 0.00 176.91 179.06 1uua h ARG 51 N -0.61 0.40 0.00 1.72 2.43 -0.54 0.21 114.38 117.99 1uua h ARG 51 Ca -0.06 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1uua h ARG 51 Cb 1.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1uua h ARG 51 CO 0.07 0.26 -0.55 1.15 -1.51 0.00 0.00 179.97 179.40 1uua h THR 52 N 0.41 0.60 -1.32 0.20 2.02 -1.24 -3.45 112.91 110.13 1uua h THR 52 Ca 0.20 -1.60 -0.39 0.00 0.77 0.00 0.00 66.41 65.39 1uua h THR 52 Cb 0.27 1.28 -0.27 0.00 -1.74 0.00 0.00 68.15 67.70 1uua h THR 52 CO -0.05 0.20 -0.78 0.00 0.37 0.00 0.00 175.52 175.26 1uua n GLY 54 N 2.10 -0.98 0.00 0.00 0.00 0.71 -4.32 105.19 102.70 1uua n GLY 54 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.43 0.00 0.47 -0.02 0.00 -1.20 -4.49 105.19 99.52 1uua n GLY 55 Ca -0.28 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.80 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32