#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 1.24 3.01 -1.26 -4.55 117.46 115.90 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 -0.26 0.00 -4.55 0.00 -0.00 -1.18 0.43 117.00 111.45 1uub n LEU 4 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 1uub n LEU 4 Cb 0.00 0.25 0.11 0.00 -0.00 0.00 0.00 43.42 43.79 1uub n LEU 4 CO 0.00 -0.48 0.31 -0.62 -0.00 0.00 0.00 177.39 176.60 1uub n GLU 5 N -2.46 0.03 -1.50 1.47 1.02 -1.26 -4.55 120.64 113.39 1uub n GLU 5 Ca 0.00 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 1uub n GLU 5 Cb 0.00 -2.09 -0.09 0.00 -0.02 0.00 0.00 31.44 29.24 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 -2.17 0.60 -1.60 3.49 -0.02 -1.26 -0.14 135.00 133.89 1uub n PRO 6 Ca 0.10 0.06 -0.47 0.00 -2.02 0.00 0.00 63.50 61.17 1uub n PRO 6 Cb 0.51 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 8.60 1.41 -0.57 0.52 -0.02 -1.26 -4.48 135.00 139.20 1uub n PRO 7 Ca 0.50 0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 62.19 1uub n PRO 7 Cb 0.26 -2.02 0.21 0.00 -0.02 0.00 0.00 33.50 31.93 1uub n PRO 7 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1uub n TYR 8 N 1.40 -0.40 -0.01 6.00 4.11 -1.26 -5.00 117.16 122.00 1uub n TYR 8 Ca 0.13 0.10 -0.00 0.00 -0.00 0.00 0.00 57.90 58.13 1uub n TYR 8 Cb 0.27 -1.82 -0.03 0.00 -0.00 0.00 0.00 39.34 37.77 1uub n TYR 8 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1uub n THR 9 N -4.63 0.14 0.00 -3.48 -2.24 -1.26 -4.82 114.28 97.99 1uub n THR 9 Ca 0.07 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1uub n THR 9 Cb 0.53 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1uub n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uub n GLY 10 N 2.63 0.80 0.00 3.38 0.00 -1.26 0.10 105.19 110.84 1uub n GLY 10 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.66 0.00 1.61 -0.02 -1.26 -4.02 135.00 131.98 1uub n PRO 11 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1uub n PRO 11 Cb 0.00 -1.01 -0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 -2.93 1.73 0.00 0.00 1.74 0.20 -4.89 116.66 112.51 1uub n ARG 13 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1uub n ARG 13 Cb 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.50 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 -3.00 0.00 -3.64 7.54 0.00 -1.25 -4.51 120.51 115.65 1uub n ALA 14 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1uub n ALA 14 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.43 -0.55 -0.02 0.00 0.00 -1.26 -4.32 121.76 112.17 1uub s ALA 15 Ca 0.00 0.87 0.06 0.00 0.00 0.00 0.00 51.96 52.89 1uub s ALA 15 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1uub s ALA 15 CO 0.00 -0.71 -0.21 0.42 0.00 0.00 0.00 175.76 175.26 1uub s ILE 16 N 2.42 1.65 0.20 0.00 1.01 0.20 -4.95 121.20 121.72 1uub s ILE 16 Ca 0.02 -0.88 0.10 0.00 0.00 0.00 0.00 60.65 59.89 1uub s ILE 16 Cb -0.12 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1uub s ILE 16 CO -0.09 0.47 -0.16 -0.51 0.00 0.00 0.00 174.94 174.65 1uub s ILE 17 N -0.39 2.81 0.00 2.92 1.10 -1.26 -0.48 121.20 125.90 1uub s ILE 17 Ca 0.06 -1.88 0.00 0.00 -0.51 0.00 0.00 60.65 58.31 1uub s ILE 17 Cb -0.09 -2.39 0.00 0.00 0.15 0.00 0.00 42.46 40.13 1uub s ILE 17 CO -0.00 -0.15 0.00 -1.14 -2.11 0.00 0.00 174.94 171.54 1uub n ARG 18 N 0.03 0.00 -4.51 3.50 3.00 -1.26 -4.43 116.66 112.99 1uub n ARG 18 Ca -0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.41 1uub n ARG 18 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.90 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 0.23 2.99 0.48 -0.14 1.51 0.21 -1.49 117.35 121.14 1uub s TYR 19 Ca 0.00 -0.17 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1uub s TYR 19 Cb 0.00 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1uub s TYR 19 CO 0.00 0.12 0.09 -0.59 -1.11 0.00 0.00 175.55 174.06 1uub s PHE 20 N -0.15 2.07 -0.35 2.71 -0.12 -0.43 -1.98 117.98 119.74 1uub s PHE 20 Ca 0.02 -0.83 -0.11 0.00 -0.05 0.00 0.00 56.93 55.96 1uub s PHE 20 Cb -0.13 -1.74 0.00 0.00 -0.63 0.00 0.00 43.02 40.52 1uub s PHE 20 CO 0.03 0.16 0.21 -0.47 -0.05 0.00 0.00 175.22 175.10 1uub s TYR 21 N -2.79 3.22 -0.84 3.49 5.04 -1.26 0.12 117.35 124.33 1uub s TYR 21 Ca 0.21 -0.60 0.02 0.00 -2.44 0.00 0.00 57.07 54.26 1uub s TYR 21 Cb 0.03 -2.44 0.28 0.00 0.35 0.00 0.00 41.96 40.18 1uub s TYR 21 CO 0.11 -0.50 1.10 -1.71 -1.34 0.00 0.00 175.55 173.21 1uub n ASN 22 N 5.04 5.03 -1.76 4.32 4.05 0.89 -3.08 115.26 129.76 1uub n ASN 22 Ca -0.13 -3.45 0.00 0.00 0.45 0.00 0.00 54.58 51.45 1uub n ASN 22 Cb 0.48 -0.93 0.00 0.00 1.23 0.00 0.00 39.78 40.56 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 0.98 1.38 0.00 5.20 0.00 0.17 -0.11 120.51 128.13 1uub n ALA 23 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1uub n ALA 23 Cb 0.37 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.65 0.00 -0.02 0.00 4.01 -1.26 -4.86 118.16 117.68 1uub n LYS 24 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.79 1uub n LYS 24 Cb 0.00 -0.41 -0.00 0.00 -0.51 0.00 0.00 35.03 34.10 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uub n ALA 25 N -2.31 0.12 -0.62 7.82 0.00 -0.92 -4.84 120.51 119.76 1uub n ALA 25 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1uub n ALA 25 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 1.65 -0.12 3.60 0.00 0.00 -1.23 -5.01 105.19 104.08 1uub n GLY 26 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.04 0.09 -3.92 0.99 4.32 0.84 -4.92 117.00 114.35 1uub n LEU 27 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.75 1uub n LEU 27 Cb 0.21 -0.26 -0.17 0.00 -1.62 0.00 0.00 43.42 41.59 1uub n LEU 27 CO 0.00 -0.04 -0.43 0.00 -1.22 0.00 0.00 177.39 175.70 1uub n GLN 29 N 4.36 1.08 -3.93 0.00 0.00 0.32 -4.64 117.38 114.57 1uub n GLN 29 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.71 1uub n GLN 29 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.64 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 2.10 0.09 0.00 1.69 -4.23 -1.25 -1.31 115.64 112.73 1uub s THR 30 Ca 0.00 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1uub s THR 30 Cb 0.00 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1uub s THR 30 CO 0.00 -0.39 0.00 2.22 -0.54 0.00 0.00 174.62 175.91 1uub n PHE 31 N 1.79 0.00 0.00 3.99 -1.74 -0.56 -4.54 117.46 116.40 1uub n PHE 31 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.67 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 -1.21 -4.54 118.33 114.87 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 -2.91 3.52 4.11 0.37 -4.71 117.16 117.54 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 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 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 -0.72 4.41 0.00 -7.48 0.00 0.11 -0.63 105.19 100.88 1uub n GLY 34 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.08 1.05 4.67 -0.02 0.00 -1.26 0.60 105.19 110.14 1uub n GLY 35 Ca 0.27 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.67 -1.90 0.00 0.00 -1.26 -4.76 116.66 109.41 1uub n ARG 37 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 1uub n ARG 37 Cb 0.00 -1.18 -0.02 0.00 -0.00 0.00 0.00 32.46 31.25 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 0.61 -0.50 -3.02 2.89 0.00 -1.26 -2.79 120.51 116.43 1uub n ALA 38 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.38 1uub n ALA 38 Cb 0.32 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.24 -1.50 0.00 0.00 3.00 -1.26 -3.62 118.16 112.54 1uub n LYS 39 Ca -0.11 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1uub n LYS 39 Cb 0.47 -3.44 0.00 0.00 0.00 0.00 0.00 35.03 32.06 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 -1.41 0.00 -4.69 3.14 2.88 -1.12 -4.83 113.62 107.59 1uub n SER 40 Ca 0.05 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.17 1uub n SER 40 Cb 0.35 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 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 6.73 0.00 -3.46 2.47 -1.24 -4.93 114.94 114.52 1uub s ASN 41 Ca 0.00 2.29 0.00 0.00 0.42 0.00 0.00 52.86 55.57 1uub s ASN 41 Cb 0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1uub s ASN 41 CO 0.00 -0.80 0.00 -3.20 -3.72 0.00 0.00 177.10 169.38 1uub n ASN 42 N 5.45 0.00 -4.13 -4.21 2.85 -1.26 -4.94 115.26 109.02 1uub n ASN 42 Ca 0.14 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.52 1uub n ASN 42 Cb 0.42 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.35 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 0.82 -0.06 1.20 -0.12 -0.84 -5.01 117.98 113.97 1uub s PHE 43 Ca 0.00 -1.18 0.09 0.00 -0.05 0.00 0.00 56.93 55.78 1uub s PHE 43 Cb 0.00 -0.43 0.13 0.00 -0.63 0.00 0.00 43.02 42.10 1uub s PHE 43 CO 0.00 -0.56 1.05 0.36 -0.05 0.00 0.00 175.22 176.02 1uub n LYS 44 N -0.13 0.71 -3.91 1.99 2.85 -1.26 0.64 118.16 119.06 1uub n LYS 44 Ca -0.05 -1.72 -0.09 0.00 -1.05 0.00 0.00 58.31 55.40 1uub n LYS 44 Cb 0.64 -0.98 -0.01 0.00 -0.65 0.00 0.00 35.03 34.03 1uub n LYS 44 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1uub s SER 45 N -1.81 0.05 0.06 -5.58 0.01 -1.26 -4.94 113.70 100.23 1uub s SER 45 Ca 0.15 -1.00 -0.17 0.00 1.31 0.00 0.00 55.95 56.24 1uub s SER 45 Cb 0.13 0.73 -0.16 0.00 0.21 0.00 0.00 66.02 66.93 1uub s SER 45 CO 0.01 -1.42 1.28 0.00 0.41 0.00 0.00 173.24 173.52 1uub h ALA 46 N 2.07 0.25 -0.00 1.44 0.00 -1.99 0.17 119.26 121.21 1uub h ALA 46 Ca -0.26 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 1uub h ALA 46 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1uub h ALA 46 CO 0.34 0.41 -0.30 1.05 0.00 0.00 0.00 179.25 180.75 1uub h GLU 47 N 0.22 0.00 0.33 0.00 4.11 -1.98 -0.05 114.58 117.21 1uub h GLU 47 Ca -0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1uub h GLU 47 Cb 1.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1uub h GLU 47 CO 0.10 0.30 -0.16 -0.44 0.07 0.00 0.00 179.01 178.89 1uub h ASP 48 N 0.00 -0.37 -0.97 3.06 3.32 -1.93 -1.04 116.42 118.49 1uub h ASP 48 Ca -0.00 -0.15 0.21 0.00 0.02 0.00 0.00 57.03 57.11 1uub h ASP 48 Cb 0.53 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.09 1uub h ASP 48 CO 0.04 0.09 0.62 0.00 -1.72 0.00 0.00 179.24 178.27 1uub h MET 50 N 0.52 0.08 -0.14 0.00 2.86 -1.01 -1.30 114.93 115.95 1uub h MET 50 Ca 0.53 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 58.09 1uub h MET 50 Cb 1.15 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 1uub h MET 50 CO -0.26 0.78 0.05 0.07 1.06 0.00 0.00 176.91 178.61 1uub h ARG 51 N -0.58 0.18 0.05 1.72 -0.00 -0.40 0.58 114.38 115.93 1uub h ARG 51 Ca -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1uub h ARG 51 Cb 0.80 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.74 1uub h ARG 51 CO 0.02 0.16 -0.02 1.15 -0.00 0.00 0.00 179.97 181.27 1uub h THR 52 N 0.19 0.90 0.00 0.08 2.02 -1.38 -3.43 112.91 111.28 1uub h THR 52 Ca 0.05 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.70 1uub h THR 52 Cb 0.04 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1uub h THR 52 CO -0.01 0.29 0.00 0.00 0.37 0.00 0.00 175.52 176.17 1uub h GLY 54 N 0.00 -0.02 0.00 0.00 0.00 0.11 -3.46 103.07 99.69 1uub h GLY 54 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1uub h GLY 54 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1uub n GLY 55 N 0.76 0.28 0.78 4.60 0.00 0.12 -4.95 105.19 106.78 1uub n GLY 55 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32