#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 0.07 1.24 1.16 -1.26 -4.12 117.46 114.55 1uua n PHE 2 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.41 1uua n PHE 2 Cb 0.00 -0.76 -0.14 0.00 -1.61 0.00 0.00 39.48 36.97 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 -3.47 0.04 -4.63 0.00 7.99 -1.26 -3.78 117.00 111.88 1uua n LEU 4 Ca -0.15 0.38 -0.26 0.00 -0.01 0.00 0.00 56.01 55.97 1uua n LEU 4 Cb 1.04 -0.40 -0.08 0.00 -0.11 0.00 0.00 43.42 43.87 1uua n LEU 4 CO 0.51 0.01 -0.35 -1.61 -1.51 0.00 0.00 177.39 174.43 1uua s GLU 5 N -2.82 2.28 0.44 3.23 0.41 -1.24 -4.77 118.70 116.24 1uua s GLU 5 Ca 0.20 -1.20 -0.25 0.00 -0.41 0.00 0.00 54.97 53.30 1uua s GLU 5 Cb 0.19 -2.27 -0.08 0.00 -1.78 0.00 0.00 34.13 30.20 1uua s GLU 5 CO 0.51 0.43 1.41 -1.25 -0.49 0.00 0.00 175.26 175.87 1uua s PRO 6 N -3.02 3.73 1.05 0.39 0.04 -1.26 -4.85 135.00 131.07 1uua s PRO 6 Ca 0.27 2.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.57 1uua s PRO 6 Cb -0.09 -2.67 0.22 0.00 0.04 0.00 0.00 34.50 32.00 1uua s PRO 6 CO 0.18 -0.77 1.08 -1.25 0.04 0.00 0.00 177.00 176.28 1uua s PRO 7 N -2.42 -0.01 -0.22 0.56 0.04 -1.26 -5.00 135.00 126.68 1uua s PRO 7 Ca 0.60 1.11 0.13 0.00 0.04 0.00 0.00 61.00 62.89 1uua s PRO 7 Cb -0.43 -1.64 0.45 0.00 0.04 0.00 0.00 34.50 32.92 1uua s PRO 7 CO 0.55 -3.19 1.19 0.98 0.04 0.00 0.00 177.00 176.56 1uua n TYR 8 N -4.58 1.21 -0.31 0.56 9.36 -1.26 -4.84 117.16 117.30 1uua n TYR 8 Ca 0.07 -1.73 -0.00 0.00 3.32 0.00 0.00 57.90 59.56 1uua n TYR 8 Cb 0.53 -0.27 0.12 0.00 -0.63 0.00 0.00 39.34 39.10 1uua n TYR 8 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1uua h THR 9 N 2.91 1.09 -0.69 2.97 2.02 -1.91 -3.46 112.91 115.84 1uua h THR 9 Ca 0.09 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1uua h THR 9 Cb 1.36 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1uua h THR 9 CO 0.32 0.19 0.00 0.61 0.37 0.00 0.00 175.52 177.01 1uua n GLY 10 N -1.33 -1.00 0.40 2.16 0.00 -1.26 -3.76 105.19 100.40 1uua n GLY 10 Ca 0.11 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.47 1.13 -4.09 1.61 -0.02 -1.26 -4.72 135.00 127.19 1uua n PRO 11 Ca 0.00 -0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.03 1uua n PRO 11 Cb 0.00 -1.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.20 0.81 0.00 0.00 3.01 -1.26 -4.66 119.74 118.84 1uua s LYS 13 Ca -0.02 -1.75 0.00 0.00 -1.01 0.00 0.00 55.97 53.19 1uua s LYS 13 Cb -0.17 -1.23 0.00 0.00 -1.01 0.00 0.00 37.83 35.42 1uua s LYS 13 CO -0.09 -1.33 0.00 0.00 0.51 0.00 0.00 175.35 174.45 1uua n ALA 14 N 3.25 0.00 -2.56 5.17 0.00 -1.26 -4.96 120.51 120.15 1uua n ALA 14 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.69 1uua n ALA 14 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.93 -3.09 0.00 0.00 -1.26 -4.92 116.66 108.32 1uua n ARG 15 Ca 0.00 -2.76 -0.24 0.00 -0.00 0.00 0.00 57.85 54.85 1uua n ARG 15 Cb 0.00 -0.82 -0.04 0.00 -0.00 0.00 0.00 32.46 31.59 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 -0.08 1.74 -2.19 8.89 5.41 -1.18 -4.97 119.36 126.99 1uua n ILE 16 Ca 0.09 -5.13 -0.42 0.00 1.00 0.00 0.00 62.75 58.29 1uua n ILE 16 Cb 0.98 -1.18 -0.03 0.00 -0.71 0.00 0.00 39.64 38.70 1uua n ILE 16 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1uua s ILE 17 N -3.38 3.55 0.44 1.39 1.09 -1.26 0.93 121.20 123.97 1uua s ILE 17 Ca 0.44 1.01 0.03 0.00 -1.10 0.00 0.00 60.65 61.03 1uua s ILE 17 Cb 0.28 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 38.02 1uua s ILE 17 CO -0.10 0.02 0.11 0.54 -0.10 0.00 0.00 174.94 175.41 1uua n ARG 18 N 4.94 0.62 -4.22 2.79 1.74 1.23 -4.89 116.66 118.87 1uua n ARG 18 Ca 0.13 -3.59 -0.27 0.00 -0.77 0.00 0.00 57.85 53.35 1uua n ARG 18 Cb 0.43 1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 33.45 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 -3.05 2.81 -0.01 -1.55 1.51 -1.15 0.33 117.35 116.24 1uua s TYR 19 Ca 0.15 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 56.03 1uua s TYR 19 Cb 0.01 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1uua s TYR 19 CO 0.11 0.51 0.09 -0.59 -1.11 0.00 0.00 175.55 174.56 1uua s PHE 20 N -1.66 0.01 -0.28 2.71 -0.12 -0.37 0.83 117.98 119.09 1uua s PHE 20 Ca 0.26 -0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 57.03 1uua s PHE 20 Cb -0.09 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 1uua s PHE 20 CO 0.18 -0.16 0.17 -0.47 -0.05 0.00 0.00 175.22 174.89 1uua s TYR 21 N -0.70 3.19 -0.91 3.49 5.04 -1.26 0.25 117.35 126.44 1uua s TYR 21 Ca -0.08 -0.06 -0.24 0.00 -2.44 0.00 0.00 57.07 54.25 1uua s TYR 21 Cb -0.05 -2.36 0.04 0.00 0.35 0.00 0.00 41.96 39.94 1uua s TYR 21 CO 0.00 -0.24 1.38 -0.80 -1.34 0.00 0.00 175.55 174.56 1uua s ASN 22 N 1.72 6.38 0.22 4.32 -0.87 -0.61 -4.57 114.94 121.53 1uua s ASN 22 Ca 0.07 -1.09 0.13 0.00 -1.57 0.00 0.00 52.86 50.39 1uua s ASN 22 Cb -0.16 -2.56 0.69 0.00 -0.02 0.00 0.00 41.25 39.19 1uua s ASN 22 CO 0.09 -1.62 1.34 0.00 -2.57 0.00 0.00 177.10 174.34 1uua n ALA 23 N 9.02 0.87 -0.07 0.60 0.00 -1.25 -1.30 120.51 128.39 1uua n ALA 23 Ca 0.22 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 1uua n ALA 23 Cb 0.50 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.94 0.68 0.07 0.00 4.81 -1.26 -4.38 118.16 116.14 1uua n LYS 24 Ca -0.01 0.16 -0.09 0.00 -0.87 0.00 0.00 58.31 57.50 1uua n LYS 24 Cb 0.12 -1.63 -0.11 0.00 0.02 0.00 0.00 35.03 33.43 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uua h ALA 25 N 0.55 0.31 0.00 3.14 0.00 -1.76 -3.48 119.26 118.02 1uua h ALA 25 Ca -0.47 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1uua h ALA 25 Cb 2.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1uua h ALA 25 CO 0.02 1.15 0.00 0.41 0.00 0.00 0.00 179.25 180.83 1uua n GLY 26 N 1.35 1.91 3.72 0.00 0.00 -0.42 -5.05 105.19 106.69 1uua n GLY 26 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 3.01 0.32 0.99 -0.00 -1.25 -4.97 118.68 116.77 1uua s LEU 27 Ca 0.00 -1.18 -0.02 0.00 -0.00 0.00 0.00 54.13 52.93 1uua s LEU 27 Cb 0.00 -1.26 -0.04 0.00 -0.00 0.00 0.00 46.19 44.89 1uua s LEU 27 CO 0.00 -0.55 0.55 0.00 -0.00 0.00 0.00 176.35 176.34 1uua s GLN 29 N -3.98 0.15 0.25 0.00 0.74 0.14 -4.87 119.66 112.09 1uua s GLN 29 Ca 0.41 0.42 -0.30 0.00 0.05 0.00 0.00 55.36 55.95 1uua s GLN 29 Cb -0.10 -0.13 -0.09 0.00 1.10 0.00 0.00 33.01 33.79 1uua s GLN 29 CO 0.34 -0.15 1.02 0.95 -0.55 0.00 0.00 175.29 176.89 1uua s THR 30 N 1.11 3.82 0.07 -0.34 -4.23 -1.26 -1.24 115.64 113.56 1uua s THR 30 Ca -0.08 1.81 0.00 0.00 -1.18 0.00 0.00 61.69 62.24 1uua s THR 30 Cb -0.10 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 1uua s THR 30 CO -0.06 0.42 -0.05 0.72 -0.54 0.00 0.00 174.62 175.11 1uua s PHE 31 N -1.09 0.67 0.36 3.99 -0.71 0.15 -4.93 117.98 116.42 1uua s PHE 31 Ca 0.43 -0.97 0.04 0.00 -1.04 0.00 0.00 56.93 55.39 1uua s PHE 31 Cb -0.29 -0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 41.08 1uua s PHE 31 CO 0.36 -0.27 0.52 0.08 -1.34 0.00 0.00 175.22 174.57 1uua s VAL 32 N -3.65 4.16 0.07 -2.49 1.01 -1.26 0.38 120.40 118.62 1uua s VAL 32 Ca 0.08 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1uua s VAL 32 Cb 0.06 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1uua s VAL 32 CO -0.07 -0.23 -0.05 -0.47 0.00 0.00 0.00 175.10 174.28 1uua s TYR 33 N -2.28 0.68 0.00 5.22 5.04 0.26 -4.75 117.35 121.53 1uua s TYR 33 Ca 0.45 -0.85 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 1uua s TYR 33 Cb -0.10 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.79 1uua s TYR 33 CO 0.33 -0.21 0.00 0.41 -1.34 0.00 0.00 175.55 174.74 1uua n GLY 34 N 0.43 2.38 0.94 8.97 0.00 -1.26 -3.07 105.19 113.58 1uua n GLY 34 Ca -0.16 -0.97 0.06 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 1.39 0.11 -0.02 0.00 -1.26 -4.03 105.19 101.38 1uua n GLY 35 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.54 0.75 -0.10 0.00 0.52 -1.26 -5.11 118.95 111.21 1uua s ARG 37 Ca -0.17 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 1uua s ARG 37 Cb 0.07 -0.65 0.05 0.00 0.52 0.00 0.00 34.95 34.95 1uua s ARG 37 CO 0.76 0.13 0.15 0.00 0.02 0.00 0.00 175.30 176.37 1uua s ALA 38 N -1.50 -0.08 0.30 2.13 0.00 -1.26 -4.52 121.76 116.82 1uua s ALA 38 Ca -0.03 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 1uua s ALA 38 Cb -0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 1uua s ALA 38 CO 0.01 -0.68 0.44 0.21 0.00 0.00 0.00 175.76 175.74 1uua s LYS 39 N 2.27 1.73 -0.09 0.00 2.47 -1.26 -5.10 119.74 119.76 1uua s LYS 39 Ca 0.04 -1.59 -0.25 0.00 -1.56 0.00 0.00 55.97 52.61 1uua s LYS 39 Cb -0.13 0.43 -0.21 0.00 -1.46 0.00 0.00 37.83 36.46 1uua s LYS 39 CO -0.06 -0.70 0.88 0.00 0.16 0.00 0.00 175.35 175.62 1uua h ARG 40 N 2.21 -0.03 -5.27 4.03 2.47 -2.00 -3.43 114.38 112.36 1uua h ARG 40 Ca -0.29 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.24 1uua h ARG 40 Cb 1.24 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.54 1uua h ARG 40 CO 0.39 0.67 0.90 -1.71 0.56 0.00 0.00 179.97 180.78 1uua n ASN 41 N -4.74 0.95 -3.20 7.04 4.05 -1.26 -4.81 115.26 113.29 1uua n ASN 41 Ca -0.09 -0.99 0.01 0.00 0.45 0.00 0.00 54.58 53.96 1uua n ASN 41 Cb 0.35 -1.32 -0.03 0.00 1.23 0.00 0.00 39.78 40.02 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 8.26 -0.98 0.11 1.20 -0.87 -1.26 -4.77 114.94 116.62 1uua s ASN 42 Ca 1.07 0.66 0.00 0.00 -1.57 0.00 0.00 52.86 53.02 1uua s ASN 42 Cb -0.40 1.89 0.00 0.00 -0.02 0.00 0.00 41.25 42.72 1uua s ASN 42 CO 0.26 -0.27 0.00 0.49 -2.57 0.00 0.00 177.10 175.01 1uua n PHE 43 N 5.41 -2.67 -0.01 2.20 3.01 0.24 -4.83 117.46 120.82 1uua n PHE 43 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.44 1uua n PHE 43 Cb 0.51 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1uua n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1uua n LYS 44 N -0.85 0.07 -3.94 -1.08 4.01 -1.26 -2.93 118.16 112.17 1uua n LYS 44 Ca 0.00 0.03 -0.11 0.00 -0.51 0.00 0.00 58.31 57.72 1uua n LYS 44 Cb 0.00 -0.58 -0.01 0.00 -0.51 0.00 0.00 35.03 33.93 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 -4.36 0.35 0.34 4.39 0.01 -1.26 -4.48 113.70 108.70 1uua s SER 45 Ca -0.04 -1.23 0.04 0.00 1.31 0.00 0.00 55.95 56.03 1uua s SER 45 Cb 0.01 0.75 0.66 0.00 0.21 0.00 0.00 66.02 67.64 1uua s SER 45 CO 0.06 -1.46 1.93 0.00 0.41 0.00 0.00 173.24 174.18 1uua h ALA 46 N 2.07 1.63 0.42 1.44 0.00 -1.99 0.37 119.26 123.20 1uua h ALA 46 Ca -0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1uua h ALA 46 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1uua h ALA 46 CO 0.38 0.24 -0.22 0.93 0.00 0.00 0.00 179.25 180.58 1uua h GLU 47 N 0.87 -0.57 -0.03 0.00 4.39 -1.99 -0.84 114.58 116.41 1uua h GLU 47 Ca 0.35 0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.94 1uua h GLU 47 Cb 0.26 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1uua h GLU 47 CO -0.13 -0.38 -0.68 0.22 -1.16 0.00 0.00 179.01 176.88 1uua h ASP 48 N -0.60 0.17 -0.93 1.42 1.82 -1.93 -0.29 116.42 116.08 1uua h ASP 48 Ca -0.05 -0.11 0.03 0.00 -0.39 0.00 0.00 57.03 56.51 1uua h ASP 48 Cb 0.47 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.38 1uua h ASP 48 CO 0.07 0.79 0.61 0.00 -1.61 0.00 0.00 179.24 179.11 1uua h MET 50 N 1.19 0.19 -0.92 0.00 2.86 -1.11 0.28 114.93 117.42 1uua h MET 50 Ca 0.37 -0.32 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 1uua h MET 50 Cb -0.03 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 1uua h MET 50 CO -0.11 1.03 0.59 -0.09 1.06 0.00 0.00 176.91 179.39 1uua h ARG 51 N 0.05 0.79 0.00 1.72 2.43 -0.56 1.09 114.38 119.91 1uua h ARG 51 Ca -0.21 -0.05 -0.45 0.00 -0.81 0.00 0.00 59.98 58.47 1uua h ARG 51 Cb 1.97 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 31.28 1uua h ARG 51 CO 0.15 0.52 -2.52 2.41 -1.51 0.00 0.00 179.97 179.03 1uua n THR 52 N -4.57 1.49 -2.63 0.20 -1.04 -0.46 -4.71 114.28 102.56 1uua n THR 52 Ca 0.17 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.05 61.47 1uua n THR 52 Cb 0.40 -1.78 -0.01 0.00 -1.82 0.00 0.00 70.33 67.12 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 -0.43 0.00 0.00 0.00 0.38 -4.24 105.19 100.55 1uua n GLY 54 Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.68 -0.27 0.41 -0.02 0.00 -1.26 -4.98 105.19 100.75 1uua n GLY 55 Ca -0.26 -0.13 0.05 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