#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 0.00 0.00 2.11 3.01 -1.26 -4.53 117.46 116.79 1uub n PHE 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1uub n PHE 2 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1uub n PHE 2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uub n LEU 4 N -1.18 0.00 -4.65 0.00 -0.00 -0.55 -2.13 117.00 108.49 1uub n LEU 4 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 1uub n LEU 4 Cb 0.00 0.42 0.14 0.00 -0.00 0.00 0.00 43.42 43.98 1uub n LEU 4 CO 0.00 -0.45 0.63 -0.62 -0.00 0.00 0.00 177.39 176.95 1uub n GLU 5 N -2.40 -0.02 -1.49 1.47 1.02 -1.26 -4.60 120.64 113.36 1uub n GLU 5 Ca 0.00 0.07 -0.44 0.00 -0.02 0.00 0.00 57.16 56.77 1uub n GLU 5 Cb 0.00 -2.34 -0.08 0.00 -0.02 0.00 0.00 31.44 29.00 1uub n GLU 5 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1uub n PRO 6 N -3.26 0.81 -1.37 3.49 -0.02 -1.26 -0.63 135.00 132.76 1uub n PRO 6 Ca 0.12 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 1uub n PRO 6 Cb 0.51 -2.54 0.01 0.00 -0.02 0.00 0.00 33.50 31.46 1uub n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uub n PRO 7 N 8.53 0.27 -1.66 0.52 -0.01 -1.26 -4.49 135.00 136.89 1uub n PRO 7 Ca 0.46 0.10 -0.42 0.00 -0.01 0.00 0.00 63.50 63.63 1uub n PRO 7 Cb 0.28 -1.27 -0.03 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 -1.63 1.26 -0.45 6.00 1.13 -1.26 -4.93 117.35 117.47 1uub s TYR 8 Ca 0.62 0.01 0.05 0.00 -1.41 0.00 0.00 57.07 56.34 1uub s TYR 8 Cb -0.59 -4.10 0.18 0.00 -1.10 0.00 0.00 41.96 36.35 1uub s TYR 8 CO 0.60 -4.83 0.53 0.95 -2.51 0.00 0.00 175.55 170.28 1uub s THR 9 N 6.15 -0.40 0.00 -3.49 -4.23 -1.26 -4.59 115.64 107.81 1uub s THR 9 Ca 0.93 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1uub s THR 9 Cb -0.38 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1uub s THR 9 CO 0.38 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1uub n GLY 10 N 3.17 -2.00 3.73 3.99 0.00 -1.26 -5.15 105.19 107.66 1uub n GLY 10 Ca 0.21 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.53 1uub n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uub s PRO 11 N -0.41 0.34 4.78 1.61 0.02 -1.26 -4.90 135.00 135.17 1uub s PRO 11 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.20 1uub s PRO 11 Cb 0.00 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1uub s PRO 11 CO 0.00 -2.72 0.00 0.00 -0.33 0.00 0.00 177.00 173.95 1uub n ARG 13 N 7.82 -3.43 0.00 0.00 1.74 0.62 -4.85 116.66 118.56 1uub n ARG 13 Ca 0.00 -1.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1uub n ARG 13 Cb 0.00 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uub n ALA 14 N -5.26 0.00 -3.54 7.54 0.00 -1.26 -4.37 120.51 113.62 1uub n ALA 14 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1uub n ALA 14 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.01 -1.17 -0.04 0.00 0.00 -1.26 -4.54 121.76 112.73 1uub s ALA 15 Ca 0.00 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.34 1uub s ALA 15 Cb 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1uub s ALA 15 CO 0.00 -0.93 -0.21 0.42 0.00 0.00 0.00 175.76 175.04 1uub s ILE 16 N 2.60 2.49 0.20 0.00 1.01 0.13 -4.99 121.20 122.63 1uub s ILE 16 Ca 0.04 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 59.85 1uub s ILE 16 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1uub s ILE 16 CO -0.14 0.58 -0.15 -0.51 0.00 0.00 0.00 174.94 174.72 1uub s ILE 17 N -0.60 2.85 0.00 2.92 1.10 -1.26 -1.27 121.20 124.93 1uub s ILE 17 Ca 0.09 -1.88 0.00 0.00 -0.51 0.00 0.00 60.65 58.35 1uub s ILE 17 Cb -0.11 -2.41 0.00 0.00 0.15 0.00 0.00 42.46 40.09 1uub s ILE 17 CO 0.00 -0.16 0.00 -1.14 -2.11 0.00 0.00 174.94 171.53 1uub n ARG 18 N -0.00 0.00 -4.48 3.50 0.63 -1.26 -4.41 116.66 110.64 1uub n ARG 18 Ca -0.11 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.49 1uub n ARG 18 Cb 0.56 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.35 1uub n ARG 18 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1uub s TYR 19 N 0.73 3.00 0.45 -0.14 1.51 -0.12 -1.74 117.35 121.04 1uub s TYR 19 Ca 0.00 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 1uub s TYR 19 Cb 0.00 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1uub s TYR 19 CO 0.00 0.09 0.02 -0.59 -1.11 0.00 0.00 175.55 173.96 1uub s PHE 20 N -0.02 2.08 -0.32 2.71 -0.12 -0.33 0.05 117.98 122.02 1uub s PHE 20 Ca 0.01 -0.90 -0.05 0.00 -0.05 0.00 0.00 56.93 55.93 1uub s PHE 20 Cb -0.13 -1.59 0.04 0.00 -0.63 0.00 0.00 43.02 40.71 1uub s PHE 20 CO 0.03 0.22 0.07 -0.47 -0.05 0.00 0.00 175.22 175.03 1uub s TYR 21 N -2.90 3.23 -0.66 3.49 5.04 -1.25 0.19 117.35 124.50 1uub s TYR 21 Ca 0.20 -1.45 0.02 0.00 -2.44 0.00 0.00 57.07 53.40 1uub s TYR 21 Cb 0.05 -2.23 0.37 0.00 0.35 0.00 0.00 41.96 40.50 1uub s TYR 21 CO 0.10 -0.72 1.47 -1.71 -1.34 0.00 0.00 175.55 173.35 1uub n ASN 22 N 4.78 5.90 -0.55 4.32 4.05 0.18 -1.48 115.26 132.45 1uub n ASN 22 Ca -0.13 -3.75 0.00 0.00 0.45 0.00 0.00 54.58 51.15 1uub n ASN 22 Cb 0.45 -0.75 0.00 0.00 1.23 0.00 0.00 39.78 40.71 1uub n ASN 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1uub n ALA 23 N -0.42 0.46 0.00 5.20 0.00 -0.90 0.17 120.51 125.01 1uub n ALA 23 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1uub n ALA 23 Cb 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1uub n ALA 23 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1uub n LYS 24 N 0.25 0.00 -0.02 0.00 0.00 -1.26 -4.74 118.16 112.39 1uub n LYS 24 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1uub n LYS 24 Cb 0.00 -0.61 -0.00 0.00 -0.00 0.00 0.00 35.03 34.42 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uub h ALA 25 N 0.00 -0.04 0.00 0.58 0.00 -1.78 -3.44 119.26 114.58 1uub h ALA 25 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uub h ALA 25 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1uub h ALA 25 CO 0.00 -0.04 -0.07 0.41 0.00 0.00 0.00 179.25 179.55 1uub n GLY 26 N 1.75 -1.59 7.00 0.00 0.00 -1.20 -5.13 105.19 106.01 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 -4.38 0.99 4.32 0.13 -4.81 117.00 113.24 1uub n LEU 27 Ca 0.00 0.00 -0.57 0.00 -0.02 0.00 0.00 56.01 55.42 1uub n LEU 27 Cb 0.53 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.23 1uub n LEU 27 CO 0.00 0.00 1.69 0.00 -1.22 0.00 0.00 177.39 177.86 1uub n GLN 29 N 7.37 3.37 -3.95 0.00 0.00 0.51 -4.79 117.38 119.88 1uub n GLN 29 Ca 0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 57.37 1uub n GLN 29 Cb 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.20 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 3.60 0.11 0.00 1.69 -4.23 -1.25 -1.19 115.64 114.37 1uub s THR 30 Ca 0.00 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1uub s THR 30 Cb 0.00 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1uub s THR 30 CO 0.00 -0.50 0.00 2.22 -0.54 0.00 0.00 174.62 175.80 1uub n PHE 31 N 1.42 0.00 0.00 3.99 -1.74 -0.71 -4.53 117.46 115.89 1uub n PHE 31 Ca -0.23 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.66 1uub n PHE 31 Cb 0.56 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 1uub n PHE 31 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 1uub n VAL 32 N 0.00 0.00 0.00 1.97 0.31 -1.17 -4.31 118.33 115.13 1uub n VAL 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1uub n VAL 32 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1uub n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uub n TYR 33 N 0.00 0.00 -3.17 3.52 4.11 -0.40 -4.69 117.16 116.53 1uub n TYR 33 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.69 1uub n TYR 33 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.30 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 -0.62 3.73 0.00 -7.48 0.00 -1.26 -0.70 105.19 98.86 1uub n GLY 34 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.48 -0.30 7.00 -0.02 0.00 -1.26 -0.28 105.19 110.81 1uub n GLY 35 Ca 0.25 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.27 0.83 -1.38 0.00 1.85 -1.26 -4.72 116.66 111.71 1uub n ARG 37 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 1uub n ARG 37 Cb 0.00 -1.09 -0.04 0.00 -1.05 0.00 0.00 32.46 30.28 1uub n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uub n ALA 38 N 1.23 -0.20 -2.67 2.89 0.00 -1.25 -2.69 120.51 117.82 1uub n ALA 38 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1uub n ALA 38 Cb 0.41 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.73 -2.30 0.00 0.00 3.00 -1.26 -3.63 118.16 112.24 1uub n LYS 39 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1uub n LYS 39 Cb 0.34 -3.96 0.00 0.00 0.00 0.00 0.00 35.03 31.41 1uub n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1uub n SER 40 N -1.47 0.00 -4.68 3.14 2.88 -1.09 -4.85 113.62 107.55 1uub n SER 40 Ca 0.02 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.10 1uub n SER 40 Cb 0.43 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 1uub n SER 40 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1uub n ASN 41 N 0.08 3.35 0.00 -3.46 4.05 -1.24 -4.92 115.26 113.12 1uub n ASN 41 Ca 0.00 1.03 0.00 0.00 0.45 0.00 0.00 54.58 56.06 1uub n ASN 41 Cb 0.00 -1.42 0.00 0.00 1.23 0.00 0.00 39.78 39.59 1uub n ASN 41 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1uub n ASN 42 N 5.03 0.00 -4.00 1.20 2.85 -1.26 -4.91 115.26 114.16 1uub n ASN 42 Ca 0.19 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.47 1uub n ASN 42 Cb 0.30 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.23 1uub n ASN 42 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1uub s PHE 43 N 0.00 1.64 0.00 1.20 0.08 0.11 -4.91 117.98 116.10 1uub s PHE 43 Ca 0.00 -1.35 0.00 0.00 0.12 0.00 0.00 56.93 55.70 1uub s PHE 43 Cb 0.00 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1uub s PHE 43 CO 0.00 -0.48 0.00 1.17 -0.10 0.00 0.00 175.22 175.81 1uub n LYS 44 N -0.63 1.39 0.00 0.44 4.81 -1.26 -0.95 118.16 121.97 1uub n LYS 44 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1uub n LYS 44 Cb 0.65 -0.12 0.00 0.00 0.02 0.00 0.00 35.03 35.58 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 -0.05 0.00 0.01 3.14 7.64 -1.26 -4.81 113.62 118.29 1uub n SER 45 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1uub n SER 45 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 2.00 0.17 -0.14 -0.43 0.00 -2.01 -2.05 119.26 116.81 1uub h ALA 46 Ca 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1uub h ALA 46 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1uub h ALA 46 CO 0.00 0.61 -0.23 1.05 0.00 0.00 0.00 179.25 180.67 1uub h GLU 47 N 0.34 0.24 0.33 0.00 4.11 -1.97 -0.00 114.58 117.62 1uub h GLU 47 Ca -0.09 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 1uub h GLU 47 Cb 1.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1uub h GLU 47 CO 0.17 0.47 -0.16 -0.44 0.07 0.00 0.00 179.01 179.12 1uub h ASP 48 N 0.22 -0.37 -0.87 3.06 3.32 -1.95 0.05 116.42 119.88 1uub h ASP 48 Ca 0.04 -0.15 0.12 0.00 0.02 0.00 0.00 57.03 57.06 1uub h ASP 48 Cb 0.54 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1uub h ASP 48 CO 0.04 0.09 0.56 0.00 -1.72 0.00 0.00 179.24 178.20 1uub h MET 50 N 0.75 0.43 -0.86 0.00 2.86 -1.04 -1.03 114.93 116.04 1uub h MET 50 Ca 0.42 -0.73 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1uub h MET 50 Cb 0.57 0.27 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1uub h MET 50 CO -0.18 1.35 0.54 0.07 1.06 0.00 0.00 176.91 179.75 1uub h ARG 51 N 0.12 1.16 0.06 1.72 0.11 -0.55 0.53 114.38 117.52 1uub h ARG 51 Ca -0.21 -0.09 -0.37 0.00 0.10 0.00 0.00 59.98 59.41 1uub h ARG 51 Cb 2.09 -0.25 -0.04 0.00 1.11 0.00 0.00 29.97 32.88 1uub h ARG 51 CO 0.24 0.80 -2.15 2.41 0.10 0.00 0.00 179.97 181.38 1uub n THR 52 N -4.44 1.63 0.13 0.08 -1.04 -1.06 -4.17 114.28 105.41 1uub n THR 52 Ca 0.09 -0.54 0.01 0.00 -2.04 0.00 0.00 64.05 61.58 1uub n THR 52 Cb 0.04 -1.67 -0.01 0.00 -1.82 0.00 0.00 70.33 66.87 1uub n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uub h GLY 54 N 0.66 0.14 0.00 0.00 0.00 0.65 -3.47 103.07 101.06 1uub h GLY 54 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1uub h GLY 54 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 176.54 177.47 1uub n GLY 55 N 1.62 2.03 3.79 4.60 0.00 0.90 -5.00 105.19 113.14 1uub n GLY 55 Ca -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32