#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uub n PHE 2 N 0.00 -1.51 0.00 1.24 -1.74 -1.25 -4.37 117.46 109.83 1uub n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1uub n PHE 2 Cb 0.00 -0.80 0.00 0.00 1.52 0.00 0.00 39.48 40.20 1uub n PHE 2 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1uub n LEU 4 N -0.78 0.00 -4.84 0.00 -0.00 -0.55 -2.79 117.00 108.05 1uub n LEU 4 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1uub n LEU 4 Cb 0.00 0.13 0.04 0.00 -0.00 0.00 0.00 43.42 43.58 1uub n LEU 4 CO 0.00 -0.13 0.71 -1.61 -0.00 0.00 0.00 177.39 176.37 1uub s GLU 5 N -1.26 3.17 -0.94 1.47 2.02 -1.26 -4.54 118.70 117.36 1uub s GLU 5 Ca 0.00 0.89 -0.27 0.00 0.02 0.00 0.00 54.97 55.61 1uub s GLU 5 Cb 0.00 -2.02 -0.22 0.00 0.10 0.00 0.00 34.13 31.99 1uub s GLU 5 CO 0.00 -0.91 2.57 -0.35 0.02 0.00 0.00 175.26 176.59 1uub n PRO 6 N -2.98 0.13 -1.33 0.39 -0.04 -1.26 -1.28 135.00 128.64 1uub n PRO 6 Ca 0.07 -0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1uub n PRO 6 Cb 0.54 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1uub n PRO 6 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1uub n PRO 7 N 8.07 0.12 -2.13 0.54 -0.01 -1.26 -4.27 135.00 136.05 1uub n PRO 7 Ca 0.63 0.04 -0.40 0.00 -0.01 0.00 0.00 63.50 63.76 1uub n PRO 7 Cb 0.11 -1.12 -0.01 0.00 -0.01 0.00 0.00 33.50 32.47 1uub n PRO 7 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 175.50 177.01 1uub s TYR 8 N -1.67 2.97 -0.16 6.00 1.13 -1.26 -4.94 117.35 119.42 1uub s TYR 8 Ca 0.60 1.45 0.18 0.00 -1.41 0.00 0.00 57.07 57.90 1uub s TYR 8 Cb -0.61 -3.61 -0.08 0.00 -1.10 0.00 0.00 41.96 36.56 1uub s TYR 8 CO 0.62 -1.81 0.94 1.79 -2.51 0.00 0.00 175.55 174.58 1uub h THR 9 N 2.66 0.37 0.00 -3.49 1.35 -1.93 -3.43 112.91 108.45 1uub h THR 9 Ca -0.49 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1uub h THR 9 Cb 1.24 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1uub h THR 9 CO 0.64 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1uub n GLY 10 N 1.32 0.29 1.66 5.82 0.00 -1.26 -0.34 105.19 112.69 1uub n GLY 10 Ca -0.06 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 1uub n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uub n PRO 11 N 0.00 0.71 0.01 1.61 -0.02 -1.26 -3.63 135.00 132.42 1uub n PRO 11 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1uub n PRO 11 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1uub n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uub n ARG 13 N -2.73 2.09 0.00 0.00 1.85 -0.22 -4.92 116.66 112.74 1uub n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1uub n ARG 13 Cb 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.54 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uub n ALA 14 N -3.00 0.00 -3.70 2.89 0.00 -1.25 -4.66 120.51 110.79 1uub n ALA 14 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1uub n ALA 14 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1uub n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uub s ALA 15 N -2.43 -0.78 0.13 0.00 0.00 -1.26 -4.40 121.76 113.02 1uub s ALA 15 Ca 0.00 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.26 1uub s ALA 15 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1uub s ALA 15 CO 0.00 -0.34 -0.19 0.42 0.00 0.00 0.00 175.76 175.65 1uub s ILE 16 N 1.61 1.70 0.28 0.00 1.01 0.72 -4.93 121.20 121.58 1uub s ILE 16 Ca -0.07 -1.71 0.10 0.00 0.00 0.00 0.00 60.65 58.97 1uub s ILE 16 Cb -0.10 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1uub s ILE 16 CO -0.10 -0.21 -0.15 -0.51 0.00 0.00 0.00 174.94 173.97 1uub s ILE 17 N -1.63 2.19 -0.72 2.92 1.10 -1.26 -1.78 121.20 122.01 1uub s ILE 17 Ca 0.10 -2.30 0.00 0.00 -0.51 0.00 0.00 60.65 57.95 1uub s ILE 17 Cb -0.08 -2.34 0.00 0.00 0.15 0.00 0.00 42.46 40.20 1uub s ILE 17 CO 0.05 -0.39 0.00 -1.14 -2.11 0.00 0.00 174.94 171.35 1uub n ARG 18 N -0.60 0.00 -3.77 3.50 3.00 -1.26 -4.54 116.66 112.98 1uub n ARG 18 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.44 1uub n ARG 18 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 33.00 1uub n ARG 18 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1uub s TYR 19 N -3.95 3.46 0.42 -0.14 1.51 0.18 -1.83 117.35 117.00 1uub s TYR 19 Ca 0.00 0.38 0.06 0.00 -1.01 0.00 0.00 57.07 56.50 1uub s TYR 19 Cb 0.00 -2.10 -0.07 0.00 -0.11 0.00 0.00 41.96 39.68 1uub s TYR 19 CO 0.00 0.40 0.01 -0.59 -1.11 0.00 0.00 175.55 174.27 1uub s PHE 20 N 0.00 2.38 -0.22 2.71 -0.12 -0.41 -2.50 117.98 119.83 1uub s PHE 20 Ca 0.10 -0.74 -0.03 0.00 -0.05 0.00 0.00 56.93 56.21 1uub s PHE 20 Cb -0.11 -1.71 0.00 0.00 -0.63 0.00 0.00 43.02 40.57 1uub s PHE 20 CO -0.00 0.38 -0.07 -0.47 -0.05 0.00 0.00 175.22 175.01 1uub s TYR 21 N -2.79 2.95 -0.65 3.49 5.04 -1.26 0.12 117.35 124.26 1uub s TYR 21 Ca 0.31 -1.14 0.04 0.00 -2.44 0.00 0.00 57.07 53.84 1uub s TYR 21 Cb 0.09 -2.08 0.32 0.00 0.35 0.00 0.00 41.96 40.64 1uub s TYR 21 CO 0.16 -0.62 1.02 -1.71 -1.34 0.00 0.00 175.55 173.06 1uub n ASN 22 N 4.75 4.71 -1.11 4.32 5.15 0.26 -1.48 115.26 131.86 1uub n ASN 22 Ca -0.18 -3.64 0.00 0.00 -0.60 0.00 0.00 54.58 50.16 1uub n ASN 22 Cb 0.50 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 1uub n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1uub n ALA 23 N -0.01 0.93 0.00 5.20 0.00 -1.12 -0.29 120.51 125.22 1uub n ALA 23 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1uub n ALA 23 Cb 0.38 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1uub n ALA 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uub n LYS 24 N 0.77 0.00 -0.02 0.00 4.01 -1.26 -4.83 118.16 116.83 1uub n LYS 24 Ca 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1uub n LYS 24 Cb 0.00 -0.29 -0.00 0.00 -0.51 0.00 0.00 35.03 34.22 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uub h ALA 25 N 0.00 -0.03 0.00 7.82 0.00 -1.85 -3.44 119.26 121.76 1uub h ALA 25 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uub h ALA 25 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1uub h ALA 25 CO 0.00 -0.03 -0.08 0.41 0.00 0.00 0.00 179.25 179.55 1uub n GLY 26 N 1.80 -0.99 7.00 0.00 0.00 -1.23 -5.13 105.19 106.64 1uub n GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1uub n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uub n LEU 27 N 0.00 0.00 -4.48 0.99 4.32 0.60 -4.86 117.00 113.58 1uub n LEU 27 Ca 0.00 0.00 -0.63 0.00 -0.02 0.00 0.00 56.01 55.36 1uub n LEU 27 Cb 0.53 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.22 1uub n LEU 27 CO 0.00 0.00 1.48 0.00 -1.22 0.00 0.00 177.39 177.65 1uub n GLN 29 N 6.03 3.00 -3.83 0.00 0.00 0.33 -4.79 117.38 118.12 1uub n GLN 29 Ca 0.44 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 57.32 1uub n GLN 29 Cb -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.12 1uub n GLN 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1uub s THR 30 N 1.84 0.08 0.00 1.69 -4.23 -1.26 -1.28 115.64 112.48 1uub s THR 30 Ca 0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1uub s THR 30 Cb 0.00 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.20 1uub s THR 30 CO 0.00 -0.38 0.00 2.22 -0.54 0.00 0.00 174.62 175.92 1uub n PHE 31 N 1.15 0.00 0.00 3.99 -1.74 -0.76 -4.71 117.46 115.39 1uub n PHE 31 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.68 1uub n PHE 31 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 1uub n PHE 31 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 1uub n VAL 32 N 0.00 0.00 0.00 1.97 3.14 -1.23 -4.26 118.33 117.95 1uub n VAL 32 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1uub n VAL 32 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1uub n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1uub n TYR 33 N 0.00 0.00 -2.65 1.45 4.11 -0.73 -4.73 117.16 114.61 1uub n TYR 33 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.73 1uub n TYR 33 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.35 1uub n TYR 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1uub n GLY 34 N -0.64 3.45 0.00 -7.48 0.00 0.54 -0.20 105.19 100.86 1uub n GLY 34 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1uub n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uub n GLY 35 N -0.19 2.38 4.93 -0.02 0.00 -1.26 -1.05 105.19 109.98 1uub n GLY 35 Ca 0.22 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1uub n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uub n ARG 37 N 0.00 0.59 -1.62 0.00 0.00 -1.26 -4.73 116.66 109.64 1uub n ARG 37 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1uub n ARG 37 Cb 0.00 -1.21 -0.04 0.00 -0.00 0.00 0.00 32.46 31.21 1uub n ARG 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uub n ALA 38 N 0.68 -0.33 -3.00 2.89 0.00 -1.26 -2.79 120.51 116.68 1uub n ALA 38 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.41 1uub n ALA 38 Cb 0.29 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 1uub n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uub n LYS 39 N -2.03 -1.36 -0.86 0.00 3.00 -1.26 -1.21 118.16 114.44 1uub n LYS 39 Ca -0.12 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1uub n LYS 39 Cb 0.44 -3.22 0.00 0.00 0.00 0.00 0.00 35.03 32.25 1uub n LYS 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1uub n SER 40 N -1.31 -4.95 -4.60 3.14 3.41 -1.12 -4.98 113.62 103.22 1uub n SER 40 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.34 1uub n SER 40 Cb 0.32 -3.10 -0.11 0.00 -0.26 0.00 0.00 64.21 61.07 1uub n SER 40 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1uub s ASN 41 N -1.78 4.67 0.00 4.04 2.47 -0.35 -5.06 114.94 118.93 1uub s ASN 41 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.19 1uub s ASN 41 Cb 0.00 -1.13 0.00 0.00 -1.45 0.00 0.00 41.25 38.67 1uub s ASN 41 CO 0.00 0.31 0.00 -3.20 -3.72 0.00 0.00 177.10 170.49 1uub n ASN 42 N 1.80 0.00 -4.31 -4.21 2.85 -1.26 -4.88 115.26 105.24 1uub n ASN 42 Ca -0.16 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.11 1uub n ASN 42 Cb 0.53 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.45 1uub n ASN 42 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1uub s PHE 43 N 0.00 1.75 0.00 1.20 -0.12 -1.04 -4.99 117.98 114.77 1uub s PHE 43 Ca 0.00 -1.13 0.00 0.00 -0.05 0.00 0.00 56.93 55.75 1uub s PHE 43 Cb 0.00 -1.09 0.00 0.00 -0.63 0.00 0.00 43.02 41.30 1uub s PHE 43 CO 0.00 -0.21 0.57 1.17 -0.05 0.00 0.00 175.22 176.70 1uub n LYS 44 N -0.63 0.00 -2.48 1.99 4.81 -1.26 0.51 118.16 121.11 1uub n LYS 44 Ca -0.02 -0.43 -0.05 0.00 -0.87 0.00 0.00 58.31 56.94 1uub n LYS 44 Cb 0.66 -0.27 0.01 0.00 0.02 0.00 0.00 35.03 35.45 1uub n LYS 44 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1uub n SER 45 N 0.00 -1.07 -0.03 3.14 7.64 -1.26 -4.95 113.62 117.09 1uub n SER 45 Ca 0.00 -1.84 -0.13 0.00 1.01 0.00 0.00 58.87 57.92 1uub n SER 45 Cb 0.57 1.81 -0.08 0.00 -1.01 0.00 0.00 64.21 65.50 1uub n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uub h ALA 46 N 1.95 0.11 -0.11 -0.43 0.00 -2.01 0.23 119.26 118.99 1uub h ALA 46 Ca -0.16 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1uub h ALA 46 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1uub h ALA 46 CO 0.21 -0.13 -0.39 1.49 0.00 0.00 0.00 179.25 180.43 1uub h GLU 47 N -0.22 0.24 -0.09 0.00 4.57 -1.98 0.49 114.58 117.58 1uub h GLU 47 Ca 0.02 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1uub h GLU 47 Cb 0.49 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1uub h GLU 47 CO 0.01 0.59 -0.03 -0.44 -1.18 0.00 0.00 179.01 177.96 1uub h ASP 48 N 0.20 0.18 -0.48 1.04 3.32 -1.95 -1.16 116.42 117.57 1uub h ASP 48 Ca 0.02 -0.39 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 1uub h ASP 48 Cb 0.78 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1uub h ASP 48 CO 0.06 0.53 -0.19 0.00 -1.72 0.00 0.00 179.24 177.92 1uub h MET 50 N 0.86 0.48 -0.49 0.00 2.86 -0.94 -2.20 114.93 115.51 1uub h MET 50 Ca 0.12 -0.39 0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1uub h MET 50 Cb 0.76 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1uub h MET 50 CO 0.06 1.02 0.33 0.07 1.06 0.00 0.00 176.91 179.45 1uub h ARG 51 N 0.05 0.40 0.00 1.72 0.11 -1.27 0.57 114.38 115.97 1uub h ARG 51 Ca -0.03 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 1uub h ARG 51 Cb 1.11 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.09 1uub h ARG 51 CO 0.10 0.27 -0.34 1.15 0.10 0.00 0.00 179.97 181.24 1uub h THR 52 N 0.41 0.66 0.00 0.08 2.02 -1.57 -3.45 112.91 111.06 1uub h THR 52 Ca 0.21 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1uub h THR 52 Cb 0.31 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1uub h THR 52 CO -0.05 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1uub n GLY 54 N 0.27 2.99 0.30 0.00 0.00 0.19 -4.64 105.19 104.30 1uub n GLY 54 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1uub n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uub n GLY 55 N 0.06 -0.10 0.49 -0.02 0.00 -0.47 -4.76 105.19 100.38 1uub n GLY 55 Ca 0.28 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.36 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32