#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua s PHE 2 N 0.00 2.09 0.00 1.24 -0.12 -1.26 -4.73 117.98 115.20 1uua s PHE 2 Ca 0.00 -0.85 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 1uua s PHE 2 Cb 0.00 -1.68 0.00 0.00 -0.63 0.00 0.00 43.02 40.71 1uua s PHE 2 CO 0.00 0.29 0.00 0.00 -0.05 0.00 0.00 175.22 175.46 1uua n LEU 4 N 0.00 0.22 -4.91 0.00 4.32 -1.26 -0.60 117.00 114.77 1uua n LEU 4 Ca 0.00 0.38 -0.28 0.00 -0.02 0.00 0.00 56.01 56.09 1uua n LEU 4 Cb 0.00 -0.41 -0.02 0.00 -1.62 0.00 0.00 43.42 41.37 1uua n LEU 4 CO 0.00 0.01 0.29 -1.61 -1.22 0.00 0.00 177.39 174.86 1uua s GLU 5 N -3.02 3.60 0.45 3.23 2.02 -1.26 -4.53 118.70 119.19 1uua s GLU 5 Ca 0.13 0.04 -0.25 0.00 0.02 0.00 0.00 54.97 54.91 1uua s GLU 5 Cb 0.18 -2.55 -0.09 0.00 0.10 0.00 0.00 34.13 31.77 1uua s GLU 5 CO 0.58 0.07 1.31 -2.30 0.02 0.00 0.00 175.26 174.95 1uua n PRO 6 N -1.47 1.96 -1.70 0.39 -0.02 -1.26 -4.81 135.00 128.08 1uua n PRO 6 Ca -0.01 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1uua n PRO 6 Cb 0.55 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1uua n PRO 6 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1uua n PRO 7 N -0.16 2.69 -3.80 0.52 -0.04 -1.26 -5.00 135.00 127.96 1uua n PRO 7 Ca 0.07 0.97 -0.30 0.00 -0.04 0.00 0.00 63.50 64.20 1uua n PRO 7 Cb 0.41 -2.82 -0.15 0.00 -0.04 0.00 0.00 33.50 30.89 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 1.59 2.08 0.00 0.54 5.04 -1.26 -5.02 117.35 120.32 1uua s TYR 8 Ca 0.78 -1.93 0.00 0.00 -2.44 0.00 0.00 57.07 53.48 1uua s TYR 8 Cb -0.52 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 39.89 1uua s TYR 8 CO 0.35 -0.87 0.00 2.41 -1.34 0.00 0.00 175.55 176.09 1uua n THR 9 N 4.74 0.00 0.00 4.34 -1.04 -1.26 -4.50 114.28 116.56 1uua n THR 9 Ca -0.02 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1uua n THR 9 Cb 0.42 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 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 2.47 4.10 3.25 3.41 0.00 -1.26 -4.33 105.19 112.84 1uua n GLY 10 Ca 0.00 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.15 1.31 0.00 1.61 -0.02 -1.26 -4.57 135.00 131.92 1uua n PRO 11 Ca 0.00 -1.87 0.00 0.00 -2.02 0.00 0.00 63.50 59.61 1uua n PRO 11 Cb 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.42 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uua n LYS 13 N 0.00 1.25 -3.44 0.00 4.01 -1.26 -5.08 118.16 113.63 1uua n LYS 13 Ca 0.00 -3.77 -0.40 0.00 -0.51 0.00 0.00 58.31 53.63 1uua n LYS 13 Cb 0.00 -1.72 -0.10 0.00 -0.51 0.00 0.00 35.03 32.70 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uua s ALA 14 N -1.33 3.51 -0.09 7.82 0.00 -1.26 -4.20 121.76 126.21 1uua s ALA 14 Ca 0.35 -1.16 0.24 0.00 0.00 0.00 0.00 51.96 51.39 1uua s ALA 14 Cb 0.11 -2.74 0.46 0.00 0.00 0.00 0.00 23.12 20.95 1uua s ALA 14 CO -0.11 -0.93 1.15 2.89 0.00 0.00 0.00 175.76 178.77 1uua n ARG 15 N 5.29 0.63 -3.73 0.00 1.85 -1.22 -4.87 116.66 114.62 1uua n ARG 15 Ca -0.10 -2.54 -0.20 0.00 -1.00 0.00 0.00 57.85 54.01 1uua n ARG 15 Cb 0.50 -0.58 -0.18 0.00 -1.05 0.00 0.00 32.46 31.15 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1uua s ILE 16 N -1.35 0.06 0.05 8.89 1.01 -1.24 -5.00 121.20 123.62 1uua s ILE 16 Ca 0.32 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 61.18 1uua s ILE 16 Cb 0.37 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.51 1uua s ILE 16 CO -0.12 0.20 0.35 -0.63 0.00 0.00 0.00 174.94 174.73 1uua s ILE 17 N 1.96 5.17 0.17 2.92 1.09 -1.26 0.25 121.20 131.50 1uua s ILE 17 Ca 0.03 0.36 0.02 0.00 -1.10 0.00 0.00 60.65 59.96 1uua s ILE 17 Cb -0.12 -3.62 -0.01 0.00 -1.06 0.00 0.00 42.46 37.66 1uua s ILE 17 CO -0.04 0.34 0.18 0.54 -0.10 0.00 0.00 174.94 175.87 1uua n ARG 18 N 1.05 0.27 -4.52 2.79 1.74 0.98 -4.87 116.66 114.08 1uua n ARG 18 Ca -0.10 -1.52 -0.31 0.00 -0.77 0.00 0.00 57.85 55.16 1uua n ARG 18 Cb 0.52 1.33 -0.12 0.00 -1.02 0.00 0.00 32.46 33.18 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 -3.25 2.65 0.03 -1.55 1.51 0.49 0.84 117.35 118.07 1uua s TYR 19 Ca 0.17 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1uua s TYR 19 Cb 0.00 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1uua s TYR 19 CO 0.12 0.32 -0.03 -0.59 -1.11 0.00 0.00 175.55 174.25 1uua s PHE 20 N -1.00 0.39 -0.14 2.71 -0.71 -0.24 -0.92 117.98 118.06 1uua s PHE 20 Ca 0.16 -0.74 -0.10 0.00 -1.04 0.00 0.00 56.93 55.22 1uua s PHE 20 Cb -0.11 -0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 41.38 1uua s PHE 20 CO 0.07 -0.26 0.19 -0.47 -1.34 0.00 0.00 175.22 173.42 1uua s TYR 21 N -2.42 3.53 -0.12 3.49 5.04 0.23 -0.47 117.35 126.63 1uua s TYR 21 Ca -0.07 0.52 -0.06 0.00 -2.44 0.00 0.00 57.07 55.02 1uua s TYR 21 Cb -0.03 -2.11 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 1uua s TYR 21 CO -0.04 0.50 0.12 -0.80 -1.34 0.00 0.00 175.55 173.99 1uua s ASN 22 N -0.34 6.20 0.00 4.32 0.01 -0.59 -4.16 114.94 120.38 1uua s ASN 22 Ca 0.14 0.41 0.24 0.00 -0.71 0.00 0.00 52.86 52.93 1uua s ASN 22 Cb -0.12 -1.98 0.52 0.00 0.41 0.00 0.00 41.25 40.08 1uua s ASN 22 CO 0.03 0.40 1.45 0.00 -1.51 0.00 0.00 177.10 177.46 1uua n ALA 23 N 2.06 2.47 -0.11 0.60 0.00 -1.26 -0.77 120.51 123.49 1uua n ALA 23 Ca -0.20 -0.73 -0.17 0.00 0.00 0.00 0.00 53.44 52.35 1uua n ALA 23 Cb 0.55 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 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 1.01 0.66 -0.05 0.00 4.81 -1.26 -4.59 118.16 118.75 1uua n LYS 24 Ca 0.17 0.13 -0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1uua n LYS 24 Cb 0.51 -1.54 -0.13 0.00 0.02 0.00 0.00 35.03 33.89 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uua n ALA 25 N -3.14 2.07 -2.84 3.14 0.00 -1.26 -5.05 120.51 113.44 1uua n ALA 25 Ca -0.42 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.16 1uua n ALA 25 Cb 1.02 -0.31 0.05 0.00 0.00 0.00 0.00 19.45 20.22 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 1.81 -0.19 3.46 0.00 0.00 0.05 -5.03 105.19 105.29 1uua n GLY 26 Ca -0.15 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.74 0.36 -0.42 0.99 0.05 -1.22 -4.95 118.68 108.74 1uua s LEU 27 Ca 0.09 -0.59 -0.15 0.00 0.05 0.00 0.00 54.13 53.53 1uua s LEU 27 Cb -0.01 1.85 0.03 0.00 -2.05 0.00 0.00 46.19 46.01 1uua s LEU 27 CO 0.48 -1.00 0.34 0.00 -0.55 0.00 0.00 176.35 175.61 1uua s GLN 29 N 1.75 3.48 -0.08 0.00 -0.44 0.37 -4.76 119.66 119.98 1uua s GLN 29 Ca 0.06 -0.51 -0.22 0.00 -2.50 0.00 0.00 55.36 52.19 1uua s GLN 29 Cb -0.20 -2.83 -0.04 0.00 -1.64 0.00 0.00 33.01 28.31 1uua s GLN 29 CO 0.10 0.36 0.65 0.95 0.50 0.00 0.00 175.29 177.85 1uua s THR 30 N -2.00 5.08 0.01 -0.34 -4.23 -1.25 -1.07 115.64 111.84 1uua s THR 30 Ca 0.37 1.33 -0.18 0.00 -1.18 0.00 0.00 61.69 62.03 1uua s THR 30 Cb -0.10 -3.99 0.03 0.00 1.34 0.00 0.00 72.50 69.78 1uua s THR 30 CO 0.31 0.27 0.40 0.72 -0.54 0.00 0.00 174.62 175.77 1uua s PHE 31 N 0.74 -0.26 0.69 3.99 -0.71 0.25 -4.90 117.98 117.77 1uua s PHE 31 Ca 0.35 0.31 -0.11 0.00 -1.04 0.00 0.00 56.93 56.44 1uua s PHE 31 Cb -0.17 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.83 1uua s PHE 31 CO 0.16 -0.51 1.06 0.08 -1.34 0.00 0.00 175.22 174.68 1uua s VAL 32 N -1.96 4.04 0.01 -2.49 1.01 -1.25 0.33 120.40 120.08 1uua s VAL 32 Ca -0.09 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1uua s VAL 32 Cb -0.02 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1uua s VAL 32 CO 0.01 -0.86 -0.11 -0.47 0.00 0.00 0.00 175.10 173.67 1uua s TYR 33 N -3.15 0.97 0.00 5.22 5.04 0.71 -4.76 117.35 121.37 1uua s TYR 33 Ca 0.57 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1uua s TYR 33 Cb -0.13 -0.60 0.00 0.00 0.35 0.00 0.00 41.96 41.59 1uua s TYR 33 CO 0.54 -0.00 0.00 0.41 -1.34 0.00 0.00 175.55 175.16 1uua n GLY 34 N 2.36 1.94 0.00 8.97 0.00 -1.26 -3.38 105.19 113.82 1uua n GLY 34 Ca -0.16 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 5.00 -0.04 0.08 -0.02 0.00 -1.26 -4.82 105.19 104.13 1uua n GLY 35 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua n ARG 37 N -4.60 0.00 -0.17 0.00 0.63 -1.26 -5.15 116.66 106.11 1uua n ARG 37 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1uua n ARG 37 Cb 0.41 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.32 1uua n ARG 37 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uua n ALA 38 N -2.15 -2.71 -4.03 5.13 0.00 -1.26 -5.11 120.51 110.38 1uua n ALA 38 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1uua n ALA 38 Cb 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 1uua n ALA 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uua n LYS 39 N 0.01 0.85 -0.15 0.00 4.76 -1.26 -5.04 118.16 117.33 1uua n LYS 39 Ca 0.00 -2.94 0.09 0.00 -2.87 0.00 0.00 58.31 52.60 1uua n LYS 39 Cb 0.00 0.44 0.28 0.00 -1.84 0.00 0.00 35.03 33.91 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 -1.45 1.95 -3.06 1.97 1.74 -1.26 -4.66 116.66 111.89 1uua n ARG 40 Ca -0.06 -1.44 -0.44 0.00 -0.77 0.00 0.00 57.85 55.14 1uua n ARG 40 Cb 0.53 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1uua n ARG 40 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1uua n ASN 41 N 0.66 5.63 -3.66 0.55 4.05 -1.26 -4.68 115.26 116.54 1uua n ASN 41 Ca 0.16 -3.12 -0.11 0.00 0.45 0.00 0.00 54.58 51.96 1uua n ASN 41 Cb 0.38 -1.41 -0.08 0.00 1.23 0.00 0.00 39.78 39.90 1uua n ASN 41 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1uua s ASN 42 N 0.85 -0.73 -0.24 1.20 -0.87 -1.26 -4.78 114.94 109.11 1uua s ASN 42 Ca 0.35 1.27 -0.02 0.00 -1.57 0.00 0.00 52.86 52.88 1uua s ASN 42 Cb -0.03 1.20 0.08 0.00 -0.02 0.00 0.00 41.25 42.48 1uua s ASN 42 CO -0.01 -0.22 0.07 -0.36 -2.57 0.00 0.00 177.10 174.01 1uua s PHE 43 N 1.03 1.18 -1.54 2.20 0.40 -0.10 -4.96 117.98 116.19 1uua s PHE 43 Ca -0.06 -1.16 0.20 0.00 -0.60 0.00 0.00 56.93 55.31 1uua s PHE 43 Cb -0.05 -1.24 1.06 0.00 0.51 0.00 0.00 43.02 43.29 1uua s PHE 43 CO -0.10 -0.73 1.63 1.17 0.70 0.00 0.00 175.22 177.90 1uua n LYS 44 N 5.00 0.36 -4.46 0.44 3.00 -1.26 -0.38 118.16 120.86 1uua n LYS 44 Ca -0.06 0.08 -0.21 0.00 -0.00 0.00 0.00 58.31 58.11 1uua n LYS 44 Cb 0.45 -1.50 -0.16 0.00 0.00 0.00 0.00 35.03 33.82 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 -2.46 1.38 0.12 3.14 0.01 -1.26 -4.86 113.70 109.77 1uua s SER 45 Ca 0.21 -0.22 -0.15 0.00 1.31 0.00 0.00 55.95 57.11 1uua s SER 45 Cb 0.14 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 1uua s SER 45 CO 0.29 0.07 1.56 0.00 0.41 0.00 0.00 173.24 175.57 1uua h ALA 46 N 6.44 0.52 -0.11 1.44 0.00 -1.98 -1.59 119.26 123.98 1uua h ALA 46 Ca -0.33 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.35 1uua h ALA 46 Cb 1.17 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1uua h ALA 46 CO 0.48 0.32 -0.37 0.93 0.00 0.00 0.00 179.25 180.61 1uua h GLU 47 N 0.51 -0.45 -0.07 0.00 5.08 -1.99 0.11 114.58 117.78 1uua h GLU 47 Ca 0.11 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1uua h GLU 47 Cb 0.51 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1uua h GLU 47 CO 0.02 -0.30 0.01 -0.44 -1.00 0.00 0.00 179.01 177.31 1uua h ASP 48 N -0.46 0.12 -0.71 1.42 3.32 -1.97 -1.52 116.42 116.60 1uua h ASP 48 Ca 0.08 -0.25 0.16 0.00 0.02 0.00 0.00 57.03 57.04 1uua h ASP 48 Cb 0.60 -0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.00 1uua h ASP 48 CO -0.36 0.33 0.06 0.00 -1.72 0.00 0.00 179.24 177.55 1uua h MET 50 N 0.16 0.68 0.00 0.00 2.86 -0.74 0.23 114.93 118.12 1uua h MET 50 Ca 0.39 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1uua h MET 50 Cb 0.68 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1uua h MET 50 CO -0.58 0.99 0.00 0.00 1.06 0.00 0.00 176.91 178.38 1uua h ARG 51 N 0.40 0.00 0.00 1.72 3.08 -0.10 0.34 114.38 119.82 1uua h ARG 51 Ca 0.04 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.84 1uua h ARG 51 Cb 0.89 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1uua h ARG 51 CO 0.08 0.00 -1.73 2.41 -1.07 0.00 0.00 179.97 179.66 1uua n THR 52 N -2.30 1.05 -0.86 2.04 -1.04 0.13 -4.76 114.28 108.54 1uua n THR 52 Ca 0.02 -0.15 0.08 0.00 -2.04 0.00 0.00 64.05 61.95 1uua n THR 52 Cb 0.23 -1.80 0.24 0.00 -1.82 0.00 0.00 70.33 67.18 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 -0.35 -0.06 0.00 0.00 0.00 0.11 -4.90 105.19 99.98 1uua n GLY 54 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 3.26 2.26 0.91 -0.02 0.00 -0.62 -5.03 105.19 105.94 1uua n GLY 55 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.68 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32