#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 -0.01 1.24 3.01 -1.26 -3.40 117.46 117.04 1uub n PHE 2 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1uub n PHE 2 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 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 -2.01 0.00 -0.52 0.00 -0.00 -1.16 -1.92 117.00 111.39 1uub n LEU 4 Ca -0.05 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.03 1uub n LEU 4 Cb 0.49 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.98 1uub n LEU 4 CO 0.08 0.00 0.47 -0.62 -0.00 0.00 0.00 177.39 177.32 1uub n GLU 5 N -0.44 1.04 -0.15 1.47 1.02 -1.26 -4.78 120.64 117.54 1uub n GLU 5 Ca 0.00 -1.36 0.16 0.00 -0.02 0.00 0.00 57.16 55.94 1uub n GLU 5 Cb 0.00 -1.24 0.53 0.00 -0.02 0.00 0.00 31.44 30.71 1uub n GLU 5 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1uub h PRO 6 N 2.36 0.34 -5.85 3.49 0.13 -1.84 -3.29 132.00 127.34 1uub h PRO 6 Ca 0.00 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.49 1uub h PRO 6 Cb 0.55 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 31.52 1uub h PRO 6 CO 0.00 0.23 1.95 -1.25 -0.23 0.00 0.00 178.00 178.69 1uub s PRO 7 N -5.35 3.73 -1.20 1.56 0.04 -1.26 -4.80 135.00 127.71 1uub s PRO 7 Ca -0.07 -1.74 -0.09 0.00 0.04 0.00 0.00 61.00 59.13 1uub s PRO 7 Cb 0.21 -5.47 0.21 0.00 0.04 0.00 0.00 34.50 29.49 1uub s PRO 7 CO 0.76 -2.47 1.61 0.66 0.04 0.00 0.00 177.00 177.60 1uub n TYR 8 N 9.27 3.51 0.91 0.56 4.01 -1.26 -4.71 117.16 129.44 1uub n TYR 8 Ca 0.46 -3.00 0.12 0.00 -0.16 0.00 0.00 57.90 55.32 1uub n TYR 8 Cb 0.47 -1.83 0.18 0.00 -0.31 0.00 0.00 39.34 37.85 1uub n TYR 8 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1uub n THR 9 N 3.11 0.06 -0.03 -0.72 -2.24 -1.26 -4.32 114.28 108.88 1uub n THR 9 Ca 0.34 -0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.91 1uub n THR 9 Cb 0.37 0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.74 1uub n THR 9 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1uub h GLY 10 N 4.90 0.11 0.47 3.38 0.00 -1.84 -2.88 103.07 107.20 1uub h GLY 10 Ca 0.00 -0.27 0.22 0.00 0.00 0.00 0.00 47.33 47.27 1uub h GLY 10 CO 0.00 0.24 0.56 -2.55 0.00 0.00 0.00 176.54 174.79 1uub h PRO 11 N -0.78 0.00 0.00 4.80 0.11 -1.98 -3.40 132.00 130.75 1uub h PRO 11 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1uub h PRO 11 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uub h PRO 11 CO 0.05 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.84 1uub n ARG 13 N -1.18 0.00 -3.25 0.00 0.00 -1.08 -5.08 116.66 106.06 1uub n ARG 13 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.89 1uub n ARG 13 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.44 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uub s ALA 14 N -1.00 -2.92 0.00 2.89 0.00 -1.26 -4.15 121.76 115.31 1uub s ALA 14 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1uub s ALA 14 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1uub s ALA 14 CO 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 175.76 174.52 1uub n ALA 15 N 5.29 0.00 -2.61 0.00 0.00 -1.16 -4.94 120.51 117.09 1uub n ALA 15 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 1uub n ALA 15 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 1uub n ALA 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1uub s ILE 16 N 0.00 1.64 0.15 0.00 1.01 -0.02 -5.03 121.20 118.95 1uub s ILE 16 Ca 0.00 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.87 1uub s ILE 16 Cb 0.00 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1uub s ILE 16 CO 0.00 0.46 -0.19 -0.51 0.00 0.00 0.00 174.94 174.70 1uub s ILE 17 N -0.29 1.82 0.00 2.92 1.10 -1.26 -1.36 121.20 124.13 1uub s ILE 17 Ca 0.03 -1.84 0.00 0.00 -0.51 0.00 0.00 60.65 58.33 1uub s ILE 17 Cb -0.10 -1.79 0.00 0.00 0.15 0.00 0.00 42.46 40.72 1uub s ILE 17 CO 0.01 -0.25 0.00 -1.14 -2.11 0.00 0.00 174.94 171.45 1uub n ARG 18 N 0.47 0.00 -4.09 3.50 3.00 -1.26 -4.64 116.66 113.64 1uub n ARG 18 Ca -0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.35 1uub n ARG 18 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.94 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 -1.59 3.35 0.36 -0.14 1.51 0.95 -1.61 117.35 120.17 1uub s TYR 19 Ca 0.00 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.42 1uub s TYR 19 Cb 0.00 -1.92 -0.07 0.00 -0.11 0.00 0.00 41.96 39.86 1uub s TYR 19 CO 0.00 0.49 -0.00 -0.59 -1.11 0.00 0.00 175.55 174.34 1uub s PHE 20 N -0.61 2.26 -0.36 2.71 -0.12 -0.60 -1.87 117.98 119.40 1uub s PHE 20 Ca 0.11 -0.73 -0.10 0.00 -0.05 0.00 0.00 56.93 56.16 1uub s PHE 20 Cb -0.12 -1.48 0.02 0.00 -0.63 0.00 0.00 43.02 40.82 1uub s PHE 20 CO 0.02 0.32 0.19 -0.47 -0.05 0.00 0.00 175.22 175.23 1uub s TYR 21 N -2.90 3.23 -0.93 3.49 5.04 -1.26 0.84 117.35 124.87 1uub s TYR 21 Ca 0.34 -0.94 -0.00 0.00 -2.44 0.00 0.00 57.07 54.03 1uub s TYR 21 Cb 0.07 -2.41 0.30 0.00 0.35 0.00 0.00 41.96 40.28 1uub s TYR 21 CO 0.16 -0.62 1.35 -1.71 -1.34 0.00 0.00 175.55 173.39 1uub n ASN 22 N 4.98 5.89 -1.39 4.32 5.15 0.16 -2.98 115.26 131.40 1uub n ASN 22 Ca -0.12 -3.51 0.00 0.00 -0.60 0.00 0.00 54.58 50.34 1uub n ASN 22 Cb 0.46 -1.05 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 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 0.74 1.33 0.00 5.20 0.00 -0.81 -0.02 120.51 126.96 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 0.34 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.25 0.00 0.00 0.00 4.76 -1.26 -4.81 118.16 118.10 1uub n LYS 24 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1uub n LYS 24 Cb 0.00 -0.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uub n ALA 25 N -2.62 0.00 -0.37 7.82 0.00 -0.93 -4.81 120.51 119.60 1uub n ALA 25 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1uub n ALA 25 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1uub n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uub n GLY 26 N 1.81 -0.47 4.01 0.00 0.00 -1.23 -5.01 105.19 104.30 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 -0.03 0.00 -4.09 0.99 4.32 0.98 -4.93 117.00 114.24 1uub n LEU 27 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 1uub n LEU 27 Cb 0.11 -0.06 -0.17 0.00 -1.62 0.00 0.00 43.42 41.69 1uub n LEU 27 CO 0.00 0.00 -0.50 0.00 -1.22 0.00 0.00 177.39 175.67 1uub n GLN 29 N 3.89 0.37 -3.61 0.00 0.00 0.25 -4.62 117.38 113.66 1uub n GLN 29 Ca -0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.67 1uub n GLN 29 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.71 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 0.68 0.05 0.00 1.69 -4.23 -1.26 -1.56 115.64 111.02 1uub s THR 30 Ca 0.00 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1uub s THR 30 Cb 0.00 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1uub s THR 30 CO 0.00 -0.22 0.00 2.22 -0.54 0.00 0.00 174.62 176.08 1uub n PHE 31 N 0.15 0.00 0.00 3.99 -1.74 -0.63 -4.73 117.46 114.50 1uub n PHE 31 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.72 1uub n PHE 31 Cb 0.62 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.62 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 -2.58 1.97 0.31 -1.21 -4.31 118.33 112.51 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 0.02 3.52 4.11 -0.46 -4.93 117.16 119.42 1uub n TYR 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1uub n TYR 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 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 0.00 -0.03 0.00 -7.48 0.00 -1.26 -0.84 105.19 95.58 1uub n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.39 -1.25 0.00 -0.02 0.00 -1.26 -4.91 105.19 100.13 1uub n GLY 35 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.52 0.72 -0.69 0.00 0.00 -1.26 -5.00 116.66 109.91 1uub n ARG 37 Ca 0.00 -0.72 -0.02 0.00 -0.00 0.00 0.00 57.85 57.10 1uub n ARG 37 Cb 0.00 -0.63 -0.01 0.00 -0.00 0.00 0.00 32.46 31.82 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 -0.12 -0.04 -1.76 2.89 0.00 -1.26 -2.90 120.51 117.32 1uub n ALA 38 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1uub n ALA 38 Cb 0.42 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 0.03 -1.84 0.00 0.00 3.00 -1.26 -3.90 118.16 114.19 1uub n LYS 39 Ca -0.02 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 1uub n LYS 39 Cb 0.28 -4.58 0.00 0.00 0.00 0.00 0.00 35.03 30.73 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 -0.53 0.00 -4.55 3.14 2.88 -1.14 -4.78 113.62 108.63 1uub n SER 40 Ca -0.06 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.11 1uub n SER 40 Cb 0.34 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 1uub n SER 40 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1uub s ASN 41 N 0.00 5.44 -0.29 -3.46 2.47 -1.25 -4.85 114.94 113.00 1uub s ASN 41 Ca 0.00 0.04 0.04 0.00 0.42 0.00 0.00 52.86 53.36 1uub s ASN 41 Cb 0.00 -2.54 0.19 0.00 -1.45 0.00 0.00 41.25 37.45 1uub s ASN 41 CO 0.00 -2.31 0.57 0.21 -3.72 0.00 0.00 177.10 171.85 1uub s ASN 42 N 7.27 -1.34 0.00 -4.21 3.84 -1.26 -4.84 114.94 114.39 1uub s ASN 42 Ca 0.61 0.27 0.00 0.00 0.21 0.00 0.00 52.86 53.95 1uub s ASN 42 Cb -0.11 1.95 0.00 0.00 -0.55 0.00 0.00 41.25 42.54 1uub s ASN 42 CO 0.16 -0.30 0.00 0.49 -2.79 0.00 0.00 177.10 174.67 1uub n PHE 43 N 5.41 0.00 -1.45 0.43 3.01 -0.78 -4.97 117.46 119.12 1uub n PHE 43 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1uub n PHE 43 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1uub n PHE 43 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1uub n LYS 44 N 0.00 0.00 -4.03 -1.08 2.85 -1.26 -0.04 118.16 114.60 1uub n LYS 44 Ca 0.00 -0.48 -0.12 0.00 -1.05 0.00 0.00 58.31 56.66 1uub n LYS 44 Cb 0.00 -0.38 -0.04 0.00 -0.65 0.00 0.00 35.03 33.96 1uub n LYS 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1uub s SER 45 N -0.21 0.36 0.20 -5.58 0.15 -1.26 -4.87 113.70 102.48 1uub s SER 45 Ca 0.00 -1.21 -0.05 0.00 0.70 0.00 0.00 55.95 55.39 1uub s SER 45 Cb 0.00 0.63 0.13 0.00 -1.71 0.00 0.00 66.02 65.07 1uub s SER 45 CO 0.00 -1.24 1.56 0.00 1.20 0.00 0.00 173.24 174.76 1uub h ALA 46 N 2.19 0.76 0.00 5.45 0.00 -2.01 0.80 119.26 126.46 1uub h ALA 46 Ca -0.28 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1uub h ALA 46 Cb 1.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1uub h ALA 46 CO 0.38 0.66 -0.34 1.05 0.00 0.00 0.00 179.25 181.00 1uub h GLU 47 N 0.58 0.00 0.21 0.00 4.11 -1.97 0.00 114.58 117.50 1uub h GLU 47 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 1uub h GLU 47 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1uub h GLU 47 CO 0.08 0.34 -0.10 -0.44 0.07 0.00 0.00 179.01 178.96 1uub h ASP 48 N 0.00 -0.24 -0.92 3.06 5.19 -1.86 -0.49 116.42 121.16 1uub h ASP 48 Ca -0.00 -0.25 0.07 0.00 -0.62 0.00 0.00 57.03 56.23 1uub h ASP 48 Cb 0.77 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 40.28 1uub h ASP 48 CO 0.04 0.29 0.59 0.00 -3.12 0.00 0.00 179.24 177.05 1uub h MET 50 N 1.01 0.35 -0.59 0.00 2.86 -1.06 -1.54 114.93 115.95 1uub h MET 50 Ca 0.40 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1uub h MET 50 Cb 0.25 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1uub h MET 50 CO -0.16 1.05 0.34 0.07 1.06 0.00 0.00 176.91 179.26 1uub h ARG 51 N -0.20 0.81 0.01 1.72 0.11 -0.81 0.59 114.38 116.61 1uub h ARG 51 Ca -0.06 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 59.94 1uub h ARG 51 Cb 1.21 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1uub h ARG 51 CO 0.10 0.58 -0.01 1.15 0.10 0.00 0.00 179.97 181.90 1uub h THR 52 N 0.82 1.03 0.00 0.08 2.02 -1.36 -3.43 112.91 112.06 1uub h THR 52 Ca 0.21 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1uub h THR 52 Cb 0.00 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1uub h THR 52 CO -0.04 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.20 1uub h GLY 54 N 0.00 0.54 -5.19 0.00 0.00 0.93 -3.43 103.07 95.92 1uub h GLY 54 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 47.33 46.14 1uub h GLY 54 CO 0.00 0.81 -0.60 0.61 0.00 0.00 0.00 176.54 177.35 1uub n GLY 55 N 0.99 0.48 0.68 4.60 0.00 0.11 -4.97 105.19 107.08 1uub n GLY 55 Ca -0.10 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32