#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 0.62 0.11 1.24 1.16 -1.26 -3.51 117.46 115.83 1uua n PHE 2 Ca 0.00 -0.31 0.04 0.00 -1.87 0.00 0.00 57.45 55.31 1uua n PHE 2 Cb 0.00 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 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 -3.05 0.12 -4.88 0.00 7.99 -1.26 -4.16 117.00 111.76 1uua n LEU 4 Ca -0.01 -0.37 -0.35 0.00 -0.01 0.00 0.00 56.01 55.27 1uua n LEU 4 Cb 0.72 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.97 1uua n LEU 4 CO 0.40 0.03 -0.02 -1.61 -1.51 0.00 0.00 177.39 174.68 1uua s GLU 5 N -1.55 3.64 0.70 3.23 0.41 -1.23 -4.77 118.70 119.13 1uua s GLU 5 Ca 0.01 0.01 -0.11 0.00 -0.41 0.00 0.00 54.97 54.46 1uua s GLU 5 Cb 0.02 -3.07 0.01 0.00 -1.78 0.00 0.00 34.13 29.32 1uua s GLU 5 CO 0.14 0.63 1.08 -2.14 -0.49 0.00 0.00 175.26 174.48 1uua s PRO 6 N -1.74 2.89 1.09 0.39 0.02 -1.26 -4.80 135.00 131.59 1uua s PRO 6 Ca 0.28 0.60 -0.12 0.00 0.02 0.00 0.00 61.00 61.78 1uua s PRO 6 Cb -0.14 -2.01 0.24 0.00 0.02 0.00 0.00 34.50 32.61 1uua s PRO 6 CO 0.16 -1.04 1.06 -1.25 -0.33 0.00 0.00 177.00 175.60 1uua s PRO 7 N -5.26 -0.35 0.00 5.54 0.04 -1.26 -4.92 135.00 128.79 1uua s PRO 7 Ca 0.58 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1uua s PRO 7 Cb -0.12 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1uua s PRO 7 CO 0.53 -3.32 0.33 0.98 0.04 0.00 0.00 177.00 175.55 1uua n TYR 8 N -4.62 0.00 0.10 0.56 9.36 -1.26 -4.84 117.16 116.46 1uua n TYR 8 Ca 0.04 -0.03 0.01 0.00 3.32 0.00 0.00 57.90 61.25 1uua n TYR 8 Cb 0.55 -0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.34 1uua n TYR 8 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1uua n THR 9 N -0.03 0.29 -2.37 2.97 -1.04 -1.26 -4.84 114.28 108.01 1uua n THR 9 Ca 0.00 0.65 0.00 0.00 -2.04 0.00 0.00 64.05 62.66 1uua n THR 9 Cb 0.14 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 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 -1.20 1.37 0.20 3.41 0.00 -1.26 -2.73 105.19 104.97 1uua n GLY 10 Ca -0.00 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.62 1uua n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uua n PRO 11 N 5.30 1.26 -2.98 1.61 -0.05 -1.26 -4.88 135.00 134.00 1uua n PRO 11 Ca 0.00 -0.39 -0.40 0.00 -0.05 0.00 0.00 63.50 62.66 1uua n PRO 11 Cb 0.00 -1.31 -0.05 0.00 -0.05 0.00 0.00 33.50 32.09 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1uua s LYS 13 N -0.46 1.41 0.00 0.00 3.01 -1.26 -4.91 119.74 117.52 1uua s LYS 13 Ca 0.38 -2.40 0.00 0.00 -1.01 0.00 0.00 55.97 52.94 1uua s LYS 13 Cb -0.22 -2.18 0.00 0.00 -1.01 0.00 0.00 37.83 34.43 1uua s LYS 13 CO 0.24 -1.30 0.00 0.00 0.51 0.00 0.00 175.35 174.80 1uua n ALA 14 N 2.81 0.00 -2.03 5.17 0.00 -1.26 -5.02 120.51 120.18 1uua n ALA 14 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.44 1uua n ALA 14 Cb 0.41 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.89 1uua n ALA 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uua n ARG 15 N -0.12 3.41 -3.40 0.00 0.00 -1.26 -4.78 116.66 110.50 1uua n ARG 15 Ca 0.00 -4.09 -0.26 0.00 -0.00 0.00 0.00 57.85 53.50 1uua n ARG 15 Cb 0.00 -2.21 -0.09 0.00 -0.00 0.00 0.00 32.46 30.16 1uua n ARG 15 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1uua n ILE 16 N -0.73 -0.25 -1.67 8.89 5.41 -1.17 -5.00 119.36 124.85 1uua n ILE 16 Ca 0.41 -4.02 -0.40 0.00 1.00 0.00 0.00 62.75 59.74 1uua n ILE 16 Cb 0.95 -1.88 0.02 0.00 -0.71 0.00 0.00 39.64 38.02 1uua n ILE 16 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1uua n ILE 17 N 2.03 2.93 -4.05 1.39 2.08 -1.26 0.01 119.36 122.49 1uua n ILE 17 Ca 0.26 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 62.96 1uua n ILE 17 Cb 0.47 -1.39 -0.06 0.00 -0.75 0.00 0.00 39.64 37.91 1uua n ILE 17 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1uua s ARG 18 N -2.36 1.56 0.21 0.38 1.81 1.43 -4.78 118.95 117.19 1uua s ARG 18 Ca 0.66 -1.41 0.11 0.00 -1.72 0.00 0.00 55.73 53.36 1uua s ARG 18 Cb -0.49 0.43 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 1uua s ARG 18 CO 0.54 -0.63 -0.17 0.71 -0.68 0.00 0.00 175.30 175.08 1uua s TYR 19 N -3.85 2.44 0.02 -0.53 1.51 -0.45 -0.44 117.35 116.05 1uua s TYR 19 Ca 0.27 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 55.93 1uua s TYR 19 Cb 0.01 -1.17 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1uua s TYR 19 CO 0.12 0.55 0.20 -0.59 -1.11 0.00 0.00 175.55 174.72 1uua s PHE 20 N -1.88 0.01 -0.17 2.71 -0.12 -0.53 0.15 117.98 118.14 1uua s PHE 20 Ca 0.25 -0.15 -0.09 0.00 -0.05 0.00 0.00 56.93 56.88 1uua s PHE 20 Cb -0.08 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.26 1uua s PHE 20 CO 0.13 -0.39 0.12 -0.47 -0.05 0.00 0.00 175.22 174.57 1uua s TYR 21 N -2.08 3.44 -0.19 3.49 6.14 -1.26 0.03 117.35 126.93 1uua s TYR 21 Ca -0.09 0.36 -0.15 0.00 0.64 0.00 0.00 57.07 57.84 1uua s TYR 21 Cb -0.03 -2.09 -0.04 0.00 0.42 0.00 0.00 41.96 40.22 1uua s TYR 21 CO -0.01 0.41 0.35 -0.80 0.64 0.00 0.00 175.55 176.13 1uua s ASN 22 N -0.05 6.42 -0.07 4.32 -0.87 -0.29 -4.86 114.94 119.54 1uua s ASN 22 Ca 0.10 0.49 0.14 0.00 -1.57 0.00 0.00 52.86 52.02 1uua s ASN 22 Cb -0.11 -2.21 0.53 0.00 -0.02 0.00 0.00 41.25 39.44 1uua s ASN 22 CO -0.00 -0.00 1.41 0.00 -2.57 0.00 0.00 177.10 175.94 1uua n ALA 23 N 4.11 2.88 -0.01 0.60 0.00 -1.26 -0.91 120.51 125.92 1uua n ALA 23 Ca -0.10 -1.14 0.05 0.00 0.00 0.00 0.00 53.44 52.24 1uua n ALA 23 Cb 0.51 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.82 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 0.83 0.65 0.00 0.00 4.81 -1.26 -4.66 118.16 118.54 1uua n LYS 24 Ca 0.19 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1uua n LYS 24 Cb 0.66 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 34.10 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 -2.38 0.60 -0.03 3.14 0.00 -1.25 -5.03 120.51 115.56 1uua n ALA 25 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1uua n ALA 25 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 0.57 0.39 3.83 0.00 0.00 -0.09 -5.06 105.19 104.82 1uua n GLY 26 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.33 0.06 0.99 0.05 -1.23 -4.75 118.68 118.14 1uua s LEU 27 Ca 0.00 1.29 -0.14 0.00 0.05 0.00 0.00 54.13 55.33 1uua s LEU 27 Cb 0.00 -3.49 -0.06 0.00 -2.05 0.00 0.00 46.19 40.59 1uua s LEU 27 CO 0.00 0.05 0.46 0.00 -0.55 0.00 0.00 176.35 176.31 1uua s GLN 29 N -1.48 1.39 0.20 0.00 -0.44 0.10 -4.93 119.66 114.50 1uua s GLN 29 Ca 0.30 -0.99 -0.21 0.00 -2.50 0.00 0.00 55.36 51.96 1uua s GLN 29 Cb -0.16 -1.54 -0.08 0.00 -1.64 0.00 0.00 33.01 29.59 1uua s GLN 29 CO 0.17 0.39 0.73 0.95 0.50 0.00 0.00 175.29 178.03 1uua s THR 30 N -0.85 4.52 0.24 -0.34 -4.23 -1.26 -1.46 115.64 112.26 1uua s THR 30 Ca 0.08 1.40 -0.21 0.00 -1.18 0.00 0.00 61.69 61.77 1uua s THR 30 Cb -0.09 -3.93 0.06 0.00 1.34 0.00 0.00 72.50 69.88 1uua s THR 30 CO 0.02 0.31 0.93 0.72 -0.54 0.00 0.00 174.62 176.06 1uua s PHE 31 N -1.41 0.02 0.00 3.99 -0.12 0.41 -4.98 117.98 115.89 1uua s PHE 31 Ca 0.40 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.81 1uua s PHE 31 Cb -0.18 0.72 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1uua s PHE 31 CO 0.22 -1.10 0.00 0.28 -0.05 0.00 0.00 175.22 174.58 1uua n VAL 32 N -0.59 0.00 -3.63 -2.49 0.31 -1.26 0.42 118.33 111.09 1uua n VAL 32 Ca -0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.22 1uua n VAL 32 Cb 0.60 -1.36 -0.06 0.00 -0.91 0.00 0.00 33.84 32.11 1uua n VAL 32 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1uua s TYR 33 N 1.07 -0.21 0.00 3.52 5.04 0.10 -4.02 117.35 122.85 1uua s TYR 33 Ca 0.00 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1uua s TYR 33 Cb 0.00 0.45 0.00 0.00 0.35 0.00 0.00 41.96 42.76 1uua s TYR 33 CO 0.00 -0.13 0.00 0.41 -1.34 0.00 0.00 175.55 174.49 1uua n GLY 34 N 1.33 3.84 1.28 8.97 0.00 -1.26 -3.03 105.19 116.32 1uua n GLY 34 Ca -0.08 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 2.10 0.11 -0.02 0.00 -1.26 -4.33 105.19 101.80 1uua n GLY 35 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.40 0.61 -0.19 0.00 1.81 -1.26 -5.12 118.95 112.39 1uua s ARG 37 Ca -0.28 0.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 1uua s ARG 37 Cb 0.06 -1.03 0.02 0.00 -0.45 0.00 0.00 34.95 33.55 1uua s ARG 37 CO 0.63 -0.32 -0.16 0.00 -0.68 0.00 0.00 175.30 174.76 1uua s ALA 38 N 1.97 2.44 0.00 2.13 0.00 -1.26 -4.69 121.76 122.34 1uua s ALA 38 Ca 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1uua s ALA 38 Cb -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1uua s ALA 38 CO -0.05 -0.42 0.00 1.17 0.00 0.00 0.00 175.76 176.46 1uua n LYS 39 N 4.64 0.00 0.00 0.00 0.00 -1.26 -5.11 118.16 116.44 1uua n LYS 39 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.11 1uua n LYS 39 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1uua n LYS 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1uua n ARG 40 N 0.00 0.00 -1.89 1.64 5.12 -1.26 -5.05 116.66 115.23 1uua n ARG 40 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 1uua n ARG 40 Cb 0.00 -0.44 -0.03 0.00 -1.16 0.00 0.00 32.46 30.83 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 -1.59 5.11 0.00 0.55 3.04 -1.26 -4.92 114.94 115.86 1uua s ASN 41 Ca 0.00 0.70 -0.10 0.00 0.04 0.00 0.00 52.86 53.50 1uua s ASN 41 Cb 0.00 -2.52 0.01 0.00 -1.54 0.00 0.00 41.25 37.20 1uua s ASN 41 CO 0.00 -2.44 0.19 0.20 -3.04 0.00 0.00 177.10 172.02 1uua s ASN 42 N 9.05 -0.04 0.19 -4.21 -0.87 -1.26 -4.88 114.94 112.93 1uua s ASN 42 Ca 0.78 -0.14 -0.15 0.00 -1.57 0.00 0.00 52.86 51.78 1uua s ASN 42 Cb -0.15 0.25 0.02 0.00 -0.02 0.00 0.00 41.25 41.34 1uua s ASN 42 CO 0.24 -0.42 0.46 -0.36 -2.57 0.00 0.00 177.10 174.45 1uua s PHE 43 N -1.52 0.05 -0.23 2.20 0.08 0.39 -4.86 117.98 114.10 1uua s PHE 43 Ca -0.13 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.35 1uua s PHE 43 Cb -0.06 0.27 -0.09 0.00 -0.57 0.00 0.00 43.02 42.56 1uua s PHE 43 CO 0.02 -0.88 -0.32 1.63 -0.10 0.00 0.00 175.22 175.57 1uua n LYS 44 N -0.31 0.56 -4.14 0.44 4.01 -1.26 -1.34 118.16 116.11 1uua n LYS 44 Ca -0.09 0.27 -0.11 0.00 -0.51 0.00 0.00 58.31 57.87 1uua n LYS 44 Cb 0.62 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 33.57 1uua n LYS 44 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1uua s SER 45 N -6.70 0.16 0.12 4.39 0.01 -1.26 -4.59 113.70 105.82 1uua s SER 45 Ca -0.33 -1.27 -0.18 0.00 1.31 0.00 0.00 55.95 55.48 1uua s SER 45 Cb 0.09 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 1uua s SER 45 CO 0.46 -0.95 1.71 0.00 0.41 0.00 0.00 173.24 174.87 1uua h ALA 46 N 2.48 0.37 0.22 1.44 0.00 -1.98 -0.68 119.26 121.10 1uua h ALA 46 Ca -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1uua h ALA 46 Cb 1.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1uua h ALA 46 CO 0.47 -0.09 -0.50 1.49 0.00 0.00 0.00 179.25 180.62 1uua h GLU 47 N 0.34 -0.76 0.32 0.00 4.57 -1.98 -1.15 114.58 115.92 1uua h GLU 47 Ca 0.10 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1uua h GLU 47 Cb 0.08 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1uua h GLU 47 CO -0.01 -0.50 -0.17 -0.44 -1.18 0.00 0.00 179.01 176.70 1uua h ASP 48 N -0.79 -0.42 -0.99 1.04 3.32 -1.97 -2.27 116.42 114.35 1uua h ASP 48 Ca -0.02 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.28 1uua h ASP 48 Cb 0.75 0.12 -0.19 0.00 0.22 0.00 0.00 39.33 40.24 1uua h ASP 48 CO -0.22 -0.29 -0.11 0.00 -1.72 0.00 0.00 179.24 176.91 1uua h MET 50 N 0.00 0.30 0.00 0.00 2.86 -1.04 -2.01 114.93 115.03 1uua h MET 50 Ca 0.54 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1uua h MET 50 Cb 0.98 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1uua h MET 50 CO -0.97 0.59 0.00 -2.13 1.06 0.00 0.00 176.91 175.46 1uua n ARG 51 N -4.68 0.04 -0.07 1.72 3.00 0.37 -0.21 116.66 116.83 1uua n ARG 51 Ca -0.05 0.02 -0.22 0.00 -0.00 0.00 0.00 57.85 57.59 1uua n ARG 51 Cb 0.27 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.10 1uua n ARG 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1uua n THR 52 N -1.48 1.63 -0.08 5.15 -1.04 0.47 -4.51 114.28 114.43 1uua n THR 52 Ca 0.08 -0.35 -0.22 0.00 -2.04 0.00 0.00 64.05 61.52 1uua n THR 52 Cb 0.32 -1.86 -0.12 0.00 -1.82 0.00 0.00 70.33 66.84 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 1.83 0.37 0.00 0.00 0.00 0.44 -4.95 105.19 102.88 1uua n GLY 54 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 4.08 -0.46 0.00 -0.02 0.00 0.70 -4.85 105.19 104.64 1uua n GLY 55 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32